G4LYV6_SCHMA Loading...

Glyco_hydro_18 domain-containing protein

AlphaFold DB , UniProt , Accession G4LYV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 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
1M76Confident92.2Very high128 Ų12850.4 Ų50.463%0.63128%0.279SS*.  0135.90-65.7173-150.400109E50 I52 I119M1-E50 HydrophobicContact CE-CG 4.29Å; M1-E50 VanDerWaalsContact CE-OE1 3.24Å; M1-E50 WeakPolarHBondContact CE-OE1 3.41Å; M1-E50 HydrophobicContact CG-CG 4.35Å; M1-E50 HydrophobicContact SD-CG 3.95Å; M1-I52 HydrophobicContact CB-CD1 3.99Å; M1-I52 HydrophobicContact CB-CG1 3.93Å; M1-I52 HydrophobicContact SD-CD1 4.38Å; M1-I52 HydrophobicContact SD-CG1 4Å; M1-I119 HydrophobicContact CE-CG2 4.38Å; M1-I119 HydrophobicContact SD-CG2 4.15Å
2S91.7Very high92.6Very high67 Ų6754.1 Ų54.147%0.46930%0.297SS..PPolyproline II helixtrans-74.6161170.125.30000111H8 C51 I52S2-H8 PolarHBondContact OG-CE1 2.87Å; S2-H8 PolarHBondContact OG-NE2 3.03Å; S2-C51 WeakPolarHBondContact O-CB 3.24Å; S2-I52 PolarHBondContact O-N 3.35Å
3N93.8Very high92.9Very high74 Ų7451.8 Ų51.840%0.39629%0.287SS..BIsolated β-bridgetrans-71.3146.1169.9-54.7-41.9000108.9S5 H8 I52 K54N3-S5 PolarHBondContact O-N 2.88Å; N3-H8 PolarHBondContact O-CE1 3.29Å; N3-I52 CarbonylContact C-O 3.52Å; N3-I52 VanDerWaalsContact CA-O 3.25Å; N3-I52 WeakPolarHBondContact CA-O 3.37Å; N3-K54 PolarHBondContact ND2-NZ 2.8Å; N3-K54 WeakPolarHBondContact OD1-CE 3.38Å; N3-K54 PolarHBondContact OD1-NZ 3.3Å
4L93.7Very high93.2Very high11 Ų1150 Ų506%0.05828%0.276CS..PPolyproline II helixtrans-52.2125.5173.7176.858.9000110H8 I9 I48 I52 A53 W57 L115L4-H8 HydrophobicContact CD1-CB 4Å; L4-I9 HydrophobicContact CD1-CD1 4.44Å; L4-I9 HydrophobicContact CD1-CG1 4.23Å; L4-I48 HydrophobicContact CD1-CG2 4.34Å; L4-I52 PolarHBondContact N-O 3.35Å; L4-A53 HydrophobicContact CB-CB 4.3Å; L4-A53 HydrophobicContact CD2-CB 3.97Å; L4-W57 HydrophobicContact CD2-CB 4.43Å; L4-W57 HydrophobicContact CD2-CD2 4.08Å; L4-W57 HydrophobicContact CD2-CG 3.82Å; L4-W57 HydrophobicContact CG-CZ2 4.45Å; L4-L115 HydrophobicContact CD2-CD1 3.88Å
5S92.6Very high93.5Very high36 Ų3653 Ų5325%0.25229%0.287SS..  trans-141.7172.9174.771.60000108.4N3 D7 H8N3-S5 PolarHBondContact O-N 2.88Å; S5-D7 PolarHBondContact O-N 2.81Å; S5-D7 VanDerWaalsContact O-N 3.13Å; S5-D7 PolarHBondContact OG-N 2.82Å; S5-D7 PolarHBondContact OG-OD2 2.98Å; S5-H8 PolarHBondContact N-ND1 2.68Å; S5-H8 PolarHBondContact O-N 3.08Å; S5-H8 PolarHBondContact O-ND1 2.78Å; S5-H8 PolarHBondContact OG-CE1 3.24Å; S5-H8 PolarHBondContact OG-ND1 3.01Å
6L91.2Very high93.8Very high19 Ų1950.6 Ų50.610%0.09928%0.276CS..G310 helixtrans-57.4-26.4175.5-66.5-178.7000114.1H8 I9 A164 Y189 L191 N312L6-H8 PolarHBondContact O-N 3.2Å; L6-H8 VanDerWaalsContact O-N 3.14Å; L6-I9 PolarHBondContact O-N 3.38Å; L6-I9 VanDerWaalsContact O-N 3.08Å; L6-I9 VanDerWaalsContact O-O 3.12Å; L6-A164 HydrophobicContact CD2-CB 4.49Å; L6-Y189 HydrophobicContact CD1-CD1 3.21Å; L6-Y189 HydrophobicContact CD1-CE1 3.86Å; L6-Y189 HydrophobicContact CD1-CG 3.87Å; L6-Y189 HydrophobicContact CD2-CD1 3.94Å; L6-Y189 HydrophobicContact CD2-CD2 4.38Å; L6-Y189 HydrophobicContact CD2-CG 3.71Å; L6-Y189 HydrophobicContact CG-CD1 3.72Å; L6-Y189 HydrophobicContact CG-CE1 4.2Å; L6-Y189 HydrophobicContact CG-CG 4.04Å; L6-L191 HydrophobicContact CD2-CD2 3.87Å; L6-N312 HydrophobicContact CD1-CB 4.11Å
7D92.4Very high94Very high93 Ų9353.3 Ų53.350%0.49728%0.283SS..G310 helixtrans-66.5-14178-54.8-50.3000113.2S5 H10S5-D7 PolarHBondContact O-N 2.81Å; S5-D7 VanDerWaalsContact O-N 3.13Å; S5-D7 PolarHBondContact OG-N 2.82Å; S5-D7 PolarHBondContact OG-OD2 2.98Å; D7-H10 PolarHBondContact O-CE1 3.36Å; D7-H10 PolarHBondContact O-NE2 2.75Å
8H96Very high94.2Very high20 Ų2050.6 Ų50.69%0.09327%0.268CS..G310 helixtrans-95.2-13.5176.8-56.380.3000112.3S2 N3 L4 S5 L6 I48 N49S2-H8 PolarHBondContact OG-CE1 2.87Å; S2-H8 PolarHBondContact OG-NE2 3.03Å; N3-H8 PolarHBondContact O-CE1 3.29Å; L4-H8 HydrophobicContact CD1-CB 4Å; S5-H8 PolarHBondContact N-ND1 2.68Å; S5-H8 PolarHBondContact O-N 3.08Å; S5-H8 PolarHBondContact O-ND1 2.78Å; S5-H8 PolarHBondContact OG-CE1 3.24Å; S5-H8 PolarHBondContact OG-ND1 3.01Å; L6-H8 PolarHBondContact O-N 3.2Å; L6-H8 VanDerWaalsContact O-N 3.14Å; H8-I48 VanDerWaalsContact O-CA 3.28Å; H8-I48 WeakPolarHBondContact O-CA 3.41Å; H8-N49 PolarHBondContact O-N 3.4Å
9I95.8Very high94.2Very high5 Ų549.9 Ų49.93%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-101.8116.3-179-55.6170.4000107.9L4 L6 L46 I59 A164 L191L4-I9 HydrophobicContact CD1-CD1 4.44Å; L4-I9 HydrophobicContact CD1-CG1 4.23Å; L6-I9 PolarHBondContact O-N 3.38Å; L6-I9 VanDerWaalsContact O-N 3.08Å; L6-I9 VanDerWaalsContact O-O 3.12Å; I9-L46 HydrophobicContact CG2-CD1 4.5Å; I9-I59 HydrophobicContact CD1-CD1 3.72Å; I9-I59 HydrophobicContact CD1-CG1 4.39Å; I9-I59 HydrophobicContact CG1-CD1 4.25Å; I9-I59 HydrophobicContact CG2-CD1 4.35Å; I9-A164 HydrophobicContact CD1-CB 4.1Å; I9-L191 HydrophobicContact CG2-CD1 3.75Å
10H95.5Very high94Very high47 Ų4753.4 Ų53.422%0.21829%0.288CS..EExtended strand (participates in β ladder)trans-122.1119.3-178.3-60.5-43.2000110.8D7 L12 L46 S47 N49D7-H10 PolarHBondContact O-CE1 3.36Å; D7-H10 PolarHBondContact O-NE2 2.75Å; H10-L12 PolarHBondContact O-N 2.84Å; H10-L46 CarbonylContact O-C 3.58Å; H10-L46 WeakPolarHBondContact O-CA 3.37Å; H10-S47 PolarHBondContact N-O 3.05Å; H10-S47 PolarHBondContact O-N 2.89Å; H10-N49 PolarHBondContact CD2-ND2 3.49Å; H10-N49 PolarHBondContact NE2-ND2 2.9Å; H10-N49 VanDerWaalsContact NE2-ND2 3.18Å
11V95.4Very high93.9Very high54 Ų5459.9 Ų59.933%0.32731%0.313SS..EExtended strand (participates in β ladder)trans-71116.7169.7-173.80000108.3I14 V44 L162 L191V11-I14 HydrophobicContact CG1-CD1 3.86Å; V11-I14 HydrophobicContact CG1-CG1 3.6Å; V11-V44 HydrophobicContact CG1-CG1 4.3Å; V11-L162 HydrophobicContact CG1-CD2 4.36Å; V11-L162 HydrophobicContact CG2-CD2 3.6Å; V11-L191 HydrophobicContact CG2-CB 4.1Å
12L96.6Very high94.7Very high95 Ų9555.3 Ų55.350%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-88.3-45.1-179.7-61.2-178.7000111.1H10 E45 S47 I124H10-L12 PolarHBondContact O-N 2.84Å; L12-E45 HydrophobicContact CB-CB 4.32Å; L12-E45 WeakPolarHBondContact CB-O 3.3Å; L12-E45 PolarHBondContact N-O 2.92Å; L12-S47 WeakPolarHBondContact CD2-OG 3.48Å; L12-I124 HydrophobicContact CD1-CD1 4.4Å; L12-I124 HydrophobicContact CD1-CG1 4.36Å; L12-I124 HydrophobicContact CD1-CG2 4.34Å
13S96.9Very high94.7Very high24 Ų2456.8 Ų56.817%0.16830%0.299CS..EExtended strand (participates in β ladder)trans-150.8149.8-179.274.70000111V44 E45S13-V44 WeakPolarHBondContact O-CA 3.46Å; S13-E45 PolarHBondContact N-O 3.18Å; S13-E45 PolarHBondContact O-N 3.13Å; S13-E45 WeakPolarHBondContact OG-CB 3.33Å; S13-E45 PolarHBondContact OG-OE2 3.31Å
14I97.4Very high94.9Very high27 Ų2754 Ų5414%0.13829%0.285CS..EExtended strand (participates in β ladder)trans-134126.1169.9-58.1-179.6000106.9V11 Q43 V44 N192 I194 I227V11-I14 HydrophobicContact CG1-CD1 3.86Å; V11-I14 HydrophobicContact CG1-CG1 3.6Å; I14-Q43 WeakPolarHBondContact CA-O 2.96Å; I14-V44 HydrophobicContact CG1-CG1 4.39Å; I14-V44 HydrophobicContact CG1-CG2 4.11Å; I14-V44 HydrophobicContact CG2-CG2 4.19Å; I14-N192 HydrophobicContact CD1-CB 3.39Å; I14-N192 VanDerWaalsContact CD1-ND2 3.33Å; I14-N192 WeakPolarHBondContact CD1-ND2 3.33Å; I14-I194 HydrophobicContact CG2-CD1 3.56Å; I14-I194 HydrophobicContact CG2-CG1 4.23Å; I14-I227 HydrophobicContact CB-CD1 4.02Å; I14-I227 HydrophobicContact CB-CG2 4.47Å; I14-I227 HydrophobicContact CD1-CG2 4.17Å; I14-I227 HydrophobicContact CG2-CD1 3.65Å; I14-I227 HydrophobicContact CG2-CG1 4.03Å; I14-I227 HydrophobicContact CG2-CG2 4.3Å; I14-I227 WeakPolarHBondContact O-CD1 3.47Å
15H97.4Very high95Very high95 Ų9558.8 Ų58.844%0.4431%0.307SS..EExtended strand (participates in β ladder)trans-121.9120.7173.5-59.594.7000108.2Y17 C42 Q43H15-Y17 HydrophobicContact CB-CD1 4.43Å; H15-Y17 HydrophobicContact CB-CE1 4.38Å; H15-C42 CarbonylContact O-C 3.51Å; H15-C42 WeakPolarHBondContact O-CA 3.1Å; H15-Q43 PolarHBondContact N-O 3.14Å; H15-Q43 PolarHBondContact O-N 3.02Å
16A97.9Very high95.2Very high14 Ų1458.7 Ų58.712%0.11630%0.303CS..EExtended strand (participates in β ladder)trans-134.7120.4174.100000108.5F40 H41 I194 P225 I227A16-F40 HydrophobicContact CB-CE2 4.09Å; A16-F40 HydrophobicContact CB-CZ 4.22Å; A16-H41 VanDerWaalsContact CA-O 3.28Å; A16-H41 WeakPolarHBondContact CA-O 3.34Å; A16-I194 HydrophobicContact CB-CD1 4.24Å; A16-I194 HydrophobicContact CB-CG2 3.8Å; A16-P225 HydrophobicContact CB-CB 3.8Å; A16-P225 HydrophobicContact CB-CG 4.45Å; A16-I227 HydrophobicContact CB-CG1 4.48Å
17Y97.6Very high95.5Very high97 Ų9761.7 Ų61.738%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-157.6160.4-174.760.4-88000111.5H15 H41H15-Y17 HydrophobicContact CB-CD1 4.43Å; H15-Y17 HydrophobicContact CB-CE1 4.38Å; Y17-H41 HydrophobicContact CD1-CB 4.5Å; Y17-H41 HydrophobicContact CD2-CB 4.41Å; Y17-H41 HydrophobicContact CE1-CB 4.11Å; Y17-H41 AromaticContact CE1-CD2 3.43Å; Y17-H41 VanDerWaalsContact CE1-CD2 3.43Å; Y17-H41 WeakPolarHBondContact CE1-CD2 3.42Å; Y17-H41 HydrophobicContact CE2-CB 4.02Å; Y17-H41 AromaticContact CZ-CD2 3.59Å; Y17-H41 AromaticContact CZ-CG 3.84Å; Y17-H41 PolarHBondContact N-O 3.04Å; Y17-H41 VanDerWaalsContact N-O 3.08Å; Y17-H41 PolarHBondContact O-N 3.26Å; Y17-H41 PolarHBondContact OH-CD2 3.42Å
18Y97.2Very high95.6Very high5 Ų559.1 Ų59.12%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-85.5129.2167-56.4-64.9000109.9T20 N39 F40 W196 Y197 Y198 Q221 E223 P225Y18-T20 PolarHBondContact O-N 3.23Å; Y18-N39 CarbonylContact C-O 3.54Å; Y18-N39 WeakPolarHBondContact CA-O 3.34Å; Y18-F40 HydrophobicContact CD1-CB 4.17Å; Y18-F40 HydrophobicContact CD1-CD2 4.32Å; Y18-F40 HydrophobicContact CE1-CB 4.22Å; Y18-F40 HydrophobicContact CE1-CD2 4.05Å; Y18-W196 AromaticContact CE1-CE3 3.93Å; Y18-W196 HydrophobicContact CE1-CE3 3.93Å; Y18-W196 HydrophobicContact CE1-CZ3 4.47Å; Y18-Y197 PolarHBondContact OH-N 3.25Å; Y18-Y197 VanDerWaalsContact OH-N 3.1Å; Y18-Y197 PolarHBondContact OH-O 3.46Å; Y18-Y198 HydrophobicContact CD1-CD2 4.46Å; Y18-Y198 HydrophobicContact CE1-CD2 4.06Å; Y18-Q221 HydrophobicContact CD1-CG 4.13Å; Y18-Q221 HydrophobicContact CD2-CB 3.53Å; Y18-Q221 HydrophobicContact CD2-CG 3.68Å; Y18-Q221 HydrophobicContact CE1-CG 4.2Å; Y18-Q221 HydrophobicContact CE2-CB 3.41Å; Y18-Q221 VanDerWaalsContact CE2-CB 3.41Å; Y18-Q221 HydrophobicContact CE2-CG 3.72Å; Y18-Q221 HydrophobicContact CG-CB 4.26Å; Y18-Q221 HydrophobicContact CG-CG 3.89Å; Y18-E223 WeakPolarHBondContact CE2-O 3.35Å; Y18-P225 HydrophobicContact CD2-CG 4.47Å; Y18-P225 HydrophobicContact CE1-CG 4.46Å; Y18-P225 HydrophobicContact CE2-CG 4.04Å
19D94.3Very high95.6Very high38 Ų3862.2 Ų62.220%0.20332%0.319CS..  trans-71105.1-179.1-175.31.2000110.4K21 T22 Q38 N39D19-K21 PolarHBondContact O-N 3.25Å; D19-K21 VanDerWaalsContact OD1-CB 3.3Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3.32Å; D19-T22 HydrophobicContact CB-CG2 4.3Å; D19-T22 PolarHBondContact O-N 2.99Å; D19-T22 VanDerWaalsContact O-N 3.09Å; D19-T22 PolarHBondContact O-OG1 3.04Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.24Å; D19-Q38 WeakPolarHBondContact O-CG 3.24Å; D19-Q38 PolarHBondContact O-NE2 3.42Å; D19-N39 HydrophobicContact CB-CB 4.16Å; D19-N39 PolarHBondContact N-O 3.42Å
20T90.1Very high95.3Very high119 Ų11967.5 Ų67.573%0.7335%0.352SS*.THydrogen-bonded Turntrans-68.1-9.9179.6580000113.8Y18Y18-T20 PolarHBondContact O-N 3.23Å
21K92.1Very high95.1Very high190 Ų19071 Ų7183%0.82637%0.372SS*.THydrogen-bonded Turntrans-86.7-17.3173.7-58.7175.1-175.91700112.6D19D19-K21 PolarHBondContact O-N 3.25Å; D19-K21 VanDerWaalsContact OD1-CB 3.3Å; D19-K21 WeakPolarHBondContact OD1-CB 3.25Å; D19-K21 PolarHBondContact OD1-N 3.32Å
22T92.2Very high95Very high32 Ų3271.7 Ų71.720%0.19637%0.373CS..  trans-96.5139.9174.262.70000110D19 Q38 N39D19-T22 HydrophobicContact CB-CG2 4.3Å; D19-T22 PolarHBondContact O-N 2.99Å; D19-T22 VanDerWaalsContact O-N 3.09Å; D19-T22 PolarHBondContact O-OG1 3.04Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.24Å; T22-Q38 WeakPolarHBondContact OG1-CG 3.29Å; T22-N39 HydrophobicContact CG2-CB 4.35Å; T22-N39 PolarHBondContact OG1-N 3.46Å
23T92.8Very high95Very high98 Ų9867.2 Ų67.260%0.60135%0.35SS*.  trans-126154.2174.756.40000108.9E25T23-E25 PolarHBondContact O-N 3Å
24T96.8Very high95Very high15 Ų1569 Ų699%0.09236%0.355CS..  trans-60123.7173.7-78.30000111.1I26 K36 S37 L200 I202 I217 D219T24-I26 HydrophobicContact CG2-CD1 3.87Å; T24-K36 CarbonylContact C-O 3.57Å; T24-K36 WeakPolarHBondContact CA-O 3.12Å; T24-S37 WeakPolarHBondContact OG1-CA 3.24Å; T24-L200 HydrophobicContact CG2-CD1 4.38Å; T24-I202 HydrophobicContact CG2-CD1 4.45Å; T24-I217 HydrophobicContact CG2-CD1 4.13Å; T24-I217 HydrophobicContact CG2-CG2 4.04Å; T24-D219 WeakPolarHBondContact CB-OD2 3.45Å; T24-D219 VanDerWaalsContact OG1-CG 3.3Å; T24-D219 PolarHBondContact OG1-OD2 3.06Å
25E96.6Very high95Very high111 Ų11168 Ų6852%0.51935%0.349SS..EExtended strand (participates in β ladder)trans-106.8136177.5-68175.9-178.800109.9T23 Y35 K36T23-E25 PolarHBondContact O-N 3Å; E25-Y35 CarbonylContact O-C 3.53Å; E25-Y35 WeakPolarHBondContact O-CA 3.28Å; E25-Y35 WeakPolarHBondContact O-CB 3.41Å; E25-K36 HydrophobicContact CB-CB 4.44Å; E25-K36 PolarHBondContact N-O 3.24Å; E25-K36 PolarHBondContact O-N 2.61Å
26I97.2Very high95Very high35 Ų3566.7 Ų66.718%0.17934%0.342CS..EExtended strand (participates in β ladder)trans-114.3131.8176.9-51.7-59.2000109.6T24 E28 L33 Y35 I202 F204 L214 I217T24-I26 HydrophobicContact CG2-CD1 3.87Å; I26-E28 HydrophobicContact CG2-CG 4.14Å; I26-L33 HydrophobicContact CG2-CD1 4.46Å; I26-Y35 HydrophobicContact CD1-CG 4.4Å; I26-I202 HydrophobicContact CD1-CD1 3.69Å; I26-I202 HydrophobicContact CD1-CG1 4.43Å; I26-I202 HydrophobicContact CD1-CG2 4.34Å; I26-F204 HydrophobicContact CG2-CE1 4.31Å; I26-L214 HydrophobicContact CB-CD2 4.29Å; I26-L214 HydrophobicContact CG1-CD1 4.05Å; I26-L214 HydrophobicContact CG1-CD2 3.9Å; I26-I217 HydrophobicContact CD1-CD1 4.28Å; I26-I217 HydrophobicContact CG1-CD1 3.78Å
27I96.4Very high95Very high82 Ų8266 Ų6642%0.42134%0.337SS..EExtended strand (participates in β ladder)trans-117.1104.8172.1-55.6173.4000107.7M29 L33 K34I27-M29 HydrophobicContact CG2-CG 4.33Å; I27-L33 WeakPolarHBondContact O-CA 3.3Å; I27-K34 HydrophobicContact CB-CB 4.39Å; I27-K34 PolarHBondContact N-O 3.13Å; I27-K34 PolarHBondContact O-N 3.37Å
28E96.4Very high94.9Very high39 Ų3962.6 Ų62.618%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-80.9125.1174.6-54-165.4-157.600110.4I26 W139 I210 G211 R213 L214I26-E28 HydrophobicContact CG2-CG 4.14Å; E28-W139 HydrophobicContact CB-CZ2 3.94Å; E28-W139 HydrophobicContact CG-CH2 4.25Å; E28-W139 HydrophobicContact CG-CZ2 3.74Å; E28-I210 HydrophobicContact CB-CG2 3.91Å; E28-I210 WeakPolarHBondContact OE2-CA 3.35Å; E28-G211 PolarHBondContact OE2-N 3.17Å; E28-R213 PolarHBondContact OE1-N 2.91Å; E28-R213 VanDerWaalsContact OE1-N 3.11Å; E28-L214 PolarHBondContact OE1-N 3.09Å; E28-L214 VanDerWaalsContact OE1-N 3.09Å
29M94.7Very high94.8Very high85 Ų8563.2 Ų63.242%0.41933%0.328SS..  trans-117.2168.9173.2-47.6177.570.100109.3I27 N31 L32 K34 W139I27-M29 HydrophobicContact CG2-CG 4.33Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.18Å; M29-L32 CarbonylContact C-O 3.5Å; M29-L32 VanDerWaalsContact CA-O 3.24Å; M29-L32 WeakPolarHBondContact CA-O 3.11Å; M29-L32 WeakPolarHBondContact CB-O 3.22Å; M29-L32 PolarHBondContact N-O 2.79Å; M29-K34 HydrophobicContact SD-CD 4.42Å; M29-K34 HydrophobicContact SD-CG 4.5Å; M29-W139 PolarHBondContact O-NE1 3.03Å
30T90.3Very high94.9Very high116 Ų11661.5 Ų61.571%0.71232%0.319SS*.SBendtrans-52.9-43.9-173.9-50.30000114.1
31N90.1Very high95.3Very high120 Ų12056.8 Ų56.864%0.64229%0.288SS*.SBendtrans-116.7-12-175.9-63-30.6000113.7M29 W139M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.18Å; N31-W139 VanDerWaalsContact C-CD1 3.4Å; N31-W139 PolarHBondContact O-N 3.46Å
32L94.4Very high95.6Very high69 Ų6947.7 Ų47.736%0.36125%0.249SC..EExtended strand (participates in β ladder)trans-138.5158.4-169.7-55.9170.6000108.7M29 T136 V137 A138 W139M29-L32 CarbonylContact C-O 3.5Å; M29-L32 VanDerWaalsContact CA-O 3.24Å; M29-L32 WeakPolarHBondContact CA-O 3.11Å; M29-L32 WeakPolarHBondContact CB-O 3.22Å; M29-L32 PolarHBondContact N-O 2.79Å; L32-T136 HydrophobicContact CB-CG2 3.87Å; L32-T136 HydrophobicContact CD1-CG2 3.8Å; L32-T136 HydrophobicContact CD2-CG2 4.33Å; L32-T136 HydrophobicContact CG-CG2 4.2Å; L32-V137 CarbonylContact C-O 3.52Å; L32-V137 VanDerWaalsContact CA-O 3.23Å; L32-V137 WeakPolarHBondContact CA-O 3.38Å; L32-A138 HydrophobicContact CD2-CB 3.91Å; L32-W139 PolarHBondContact O-NE1 3.22Å; L32-W139 VanDerWaalsContact O-NE1 3.13Å
33L95.5Very high95.8Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-118.9153160.475.9106.4000109.4I26 I27 Y35 T136 V137 W139 L149 I152 F204I26-L33 HydrophobicContact CG2-CD1 4.46Å; I27-L33 WeakPolarHBondContact O-CA 3.3Å; L33-Y35 HydrophobicContact CD1-CD1 4.07Å; L33-T136 CarbonylContact O-C 3.48Å; L33-T136 WeakPolarHBondContact O-CA 3.33Å; L33-V137 HydrophobicContact CD1-CB 4.49Å; L33-V137 HydrophobicContact CD2-CB 4.12Å; L33-V137 HydrophobicContact CD2-CG1 4.49Å; L33-V137 HydrophobicContact CG-CB 4.03Å; L33-V137 PolarHBondContact N-O 2.96Å; L33-V137 PolarHBondContact O-N 3.38Å; L33-W139 HydrophobicContact CB-CH2 4.06Å; L33-W139 HydrophobicContact CB-CZ2 3.62Å; L33-W139 HydrophobicContact CD2-CD2 4.24Å; L33-W139 HydrophobicContact CD2-CE3 3.94Å; L33-W139 HydrophobicContact CD2-CH2 3.66Å; L33-W139 HydrophobicContact CD2-CZ2 3.99Å; L33-W139 HydrophobicContact CD2-CZ3 3.63Å; L33-W139 HydrophobicContact CG-CH2 4.48Å; L33-W139 HydrophobicContact CG-CZ2 4.45Å; L33-L149 HydrophobicContact CD2-CD2 3.2Å; L33-I152 HydrophobicContact CD1-CD1 3.8Å; L33-I152 HydrophobicContact CD2-CD1 4.08Å; L33-I152 HydrophobicContact CG-CD1 4.45Å; L33-F204 HydrophobicContact CD1-CZ 4.09Å; L33-F204 HydrophobicContact CD2-CE1 4.47Å; L33-F204 HydrophobicContact CD2-CE2 4.17Å; L33-F204 HydrophobicContact CD2-CZ 3.91Å
34K97.6Very high96.1Very high62 Ų6244.3 Ų44.327%0.2722%0.224SC..EExtended strand (participates in β ladder)trans-117.3143.9164.9-62.6-176.5178.5-179.50107.8I27 M29 P135 T136I27-K34 HydrophobicContact CB-CB 4.39Å; I27-K34 PolarHBondContact N-O 3.13Å; I27-K34 PolarHBondContact O-N 3.37Å; M29-K34 HydrophobicContact SD-CD 4.42Å; M29-K34 HydrophobicContact SD-CG 4.5Å; K34-P135 WeakPolarHBondContact CA-O 3.19Å; K34-T136 HydrophobicContact CG-CG2 4.13Å
35Y97.7Very high96.2Very high6 Ų646.6 Ų46.62%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-127.9148.4165.269.4-97.8000110.3E25 I26 L33 F133 Y134 P135 V137 I152 R154 L200 I202E25-Y35 CarbonylContact O-C 3.53Å; E25-Y35 WeakPolarHBondContact O-CA 3.28Å; E25-Y35 WeakPolarHBondContact O-CB 3.41Å; I26-Y35 HydrophobicContact CD1-CG 4.4Å; L33-Y35 HydrophobicContact CD1-CD1 4.07Å; Y35-F133 HydrophobicContact CE2-CB 4.27Å; Y35-Y134 WeakPolarHBondContact O-CA 3.35Å; Y35-Y134 WeakPolarHBondContact O-CD2 3.26Å; Y35-P135 HydrophobicContact CD1-CG 3.77Å; Y35-P135 HydrophobicContact CD2-CG 4.21Å; Y35-P135 HydrophobicContact CE1-CB 4.47Å; Y35-P135 HydrophobicContact CE1-CG 3.19Å; Y35-P135 HydrophobicContact CE2-CG 3.68Å; Y35-P135 HydrophobicContact CG-CG 4.25Å; Y35-P135 PolarHBondContact N-O 3.11Å; Y35-P135 WeakPolarHBondContact O-CD 3.32Å; Y35-P135 WeakPolarHBondContact OH-CG 3.18Å; Y35-V137 HydrophobicContact CE1-CG2 4.33Å; Y35-I152 HydrophobicContact CD1-CD1 4.02Å; Y35-I152 HydrophobicContact CE1-CD1 3.92Å; Y35-I152 HydrophobicContact CE1-CG2 3.85Å; Y35-R154 PolarHBondContact OH-NH1 3.45Å; Y35-L200 HydrophobicContact CD2-CD2 4.02Å; Y35-L200 HydrophobicContact CE2-CD2 3.48Å; Y35-L200 VanDerWaalsContact CE2-CD2 3.48Å; Y35-I202 HydrophobicContact CD1-CD1 3.99Å; Y35-I202 HydrophobicContact CD2-CD1 4.36Å; Y35-I202 HydrophobicContact CE1-CD1 4.33Å; Y35-I202 HydrophobicContact CG-CD1 3.99Å
36K97.5Very high96.2Very high67 Ų6741.3 Ų41.329%0.29121%0.209SC..EExtended strand (participates in β ladder)trans-113120.9168.1-169.1-173.3173.7-171.30107T24 E25 F133 Y134T24-K36 CarbonylContact C-O 3.57Å; T24-K36 WeakPolarHBondContact CA-O 3.12Å; E25-K36 HydrophobicContact CB-CB 4.44Å; E25-K36 PolarHBondContact N-O 3.24Å; E25-K36 PolarHBondContact O-N 2.61Å; K36-F133 CarbonylContact C-O 3.59Å; K36-F133 WeakPolarHBondContact CA-O 3.38Å; K36-Y134 HydrophobicContact CB-CD2 3.68Å; K36-Y134 HydrophobicContact CB-CE2 3.99Å; K36-Y134 HydrophobicContact CG-CD2 3.97Å
37S96.9Very high96.2Very high1 Ų140.5 Ų40.51%0.00721%0.206CC..PPolyproline II helixtrans-76.6171.1-179.678.50000112.4T24 F133 Y198T24-S37 WeakPolarHBondContact OG1-CA 3.24Å; S37-F133 PolarHBondContact N-O 2.97Å; S37-F133 WeakPolarHBondContact OG-CD2 3.33Å; S37-F133 PolarHBondContact OG-N 2.85Å; S37-Y198 VanDerWaalsContact CB-OH 3.29Å; S37-Y198 WeakPolarHBondContact CB-OH 3.2Å
38Q95.6Very high96.3Very high24 Ų2436.7 Ų36.711%0.11219%0.187CC..PPolyproline II helixtrans-55.2145.4162.4-176.3176.944.600110.1D19 T22 Y198 D219D19-Q38 WeakPolarHBondContact O-CG 3.24Å; D19-Q38 PolarHBondContact O-NE2 3.42Å; T22-Q38 WeakPolarHBondContact OG1-CG 3.29Å; Q38-Y198 HydrophobicContact CB-CE2 4.4Å; Q38-Y198 WeakPolarHBondContact CB-OH 3.47Å; Q38-Y198 PolarHBondContact N-OH 3.05Å; Q38-Y198 VanDerWaalsContact N-OH 3.09Å; Q38-D219 WeakPolarHBondContact CB-OD2 3.23Å; Q38-D219 PolarHBondContact N-OD2 3.08Å
39N95.5Very high96.3Very high19 Ų1937.9 Ų37.910%0.10219%0.194CC..PPolyproline II helixtrans-82136.8177.7-72.632.4000111.4Y18 D19 T22 D131 H132Y18-N39 CarbonylContact C-O 3.54Å; Y18-N39 WeakPolarHBondContact CA-O 3.34Å; D19-N39 HydrophobicContact CB-CB 4.16Å; D19-N39 PolarHBondContact N-O 3.42Å; T22-N39 HydrophobicContact CG2-CB 4.35Å; T22-N39 PolarHBondContact OG1-N 3.46Å; N39-D131 CarbonylContact C-O 3.54Å; N39-D131 WeakPolarHBondContact CA-O 3.43Å; N39-H132 WeakPolarHBondContact OD1-CB 3.44Å
40F97.1Very high96.4Very high1 Ų138.1 Ų38.10%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-91.3133.1157.6166.1-102.1000108.7A16 Y18 C42 Y129 D130 D131 W196 P225A16-F40 HydrophobicContact CB-CE2 4.09Å; A16-F40 HydrophobicContact CB-CZ 4.22Å; Y18-F40 HydrophobicContact CD1-CB 4.17Å; Y18-F40 HydrophobicContact CD1-CD2 4.32Å; Y18-F40 HydrophobicContact CE1-CB 4.22Å; Y18-F40 HydrophobicContact CE1-CD2 4.05Å; F40-C42 HydrophobicContact CE1-CB 3.79Å; F40-C42 HydrophobicContact CZ-CB 3.94Å; F40-Y129 HydrophobicContact CD1-CE2 4.26Å; F40-Y129 HydrophobicContact CE1-CE2 4.05Å; F40-D130 CarbonylContact O-C 3.56Å; F40-D130 WeakPolarHBondContact O-CA 3.2Å; F40-D131 HydrophobicContact CB-CB 4.37Å; F40-D131 HydrophobicContact CD1-CB 4.1Å; F40-D131 PolarHBondContact N-O 2.97Å; F40-D131 PolarHBondContact O-N 3.35Å; F40-W196 HydrophobicContact CB-CE3 4.37Å; F40-W196 HydrophobicContact CB-CH2 4.35Å; F40-W196 HydrophobicContact CB-CZ3 4.21Å; F40-W196 HydrophobicContact CD1-CD2 4.28Å; F40-W196 AromaticContact CD1-CE2 3.85Å; F40-W196 HydrophobicContact CD1-CZ2 4.08Å; F40-W196 AromaticContact CD1-NE1 3.91Å; F40-W196 HydrophobicContact CD2-CB 4.29Å; F40-W196 HydrophobicContact CD2-CD2 4.04Å; F40-W196 HydrophobicContact CD2-CE3 4.35Å; F40-W196 HydrophobicContact CD2-CG 4.03Å; F40-W196 AromaticContact CE1-CD1 3.87Å; F40-W196 HydrophobicContact CE1-CD2 4.48Å; F40-W196 HydrophobicContact CE1-CG 4.41Å; F40-W196 AromaticContact CE1-NE1 3.59Å; F40-W196 HydrophobicContact CE2-CB 3.96Å; F40-W196 AromaticContact CE2-CD1 3.85Å; F40-W196 HydrophobicContact CE2-CD2 4.26Å; F40-W196 AromaticContact CE2-CG 3.79Å; F40-W196 HydrophobicContact CE2-CG 3.79Å; F40-W196 HydrophobicContact CG-CD2 4.04Å; F40-W196 HydrophobicContact CG-CE3 4.27Å; F40-W196 HydrophobicContact CG-CG 4.43Å; F40-W196 HydrophobicContact CG-CZ2 4.36Å; F40-W196 HydrophobicContact CG-CZ3 4.5Å; F40-W196 AromaticContact CZ-CD1 3.57Å; F40-W196 HydrophobicContact CZ-CD2 4.48Å; F40-W196 AromaticContact CZ-CG 4Å; F40-W196 HydrophobicContact CZ-CG 4Å; F40-W196 AromaticContact CZ-NE1 3.81Å; F40-P225 HydrophobicContact CD2-CG 3.92Å; F40-P225 HydrophobicContact CE2-CB 3.97Å; F40-P225 HydrophobicContact CE2-CG 3.61Å
41H97.4Very high96.7Very high20 Ų2032.6 Ų32.69%0.09316%0.161CC..EExtended strand (participates in β ladder)trans-115.1135.2177.1-174.779.6000110.2A16 Y17 Q43 T128 D130A16-H41 VanDerWaalsContact CA-O 3.28Å; A16-H41 WeakPolarHBondContact CA-O 3.34Å; Y17-H41 HydrophobicContact CD1-CB 4.5Å; Y17-H41 HydrophobicContact CD2-CB 4.41Å; Y17-H41 HydrophobicContact CE1-CB 4.11Å; Y17-H41 AromaticContact CE1-CD2 3.43Å; Y17-H41 VanDerWaalsContact CE1-CD2 3.43Å; Y17-H41 WeakPolarHBondContact CE1-CD2 3.42Å; Y17-H41 HydrophobicContact CE2-CB 4.02Å; Y17-H41 AromaticContact CZ-CD2 3.59Å; Y17-H41 AromaticContact CZ-CG 3.84Å; Y17-H41 PolarHBondContact N-O 3.04Å; Y17-H41 VanDerWaalsContact N-O 3.08Å; Y17-H41 PolarHBondContact O-N 3.26Å; Y17-H41 PolarHBondContact OH-CD2 3.42Å; H41-Q43 WeakPolarHBondContact NE2-CB 3.18Å; H41-T128 PolarHBondContact CE1-OG1 3Å; H41-T128 VanDerWaalsContact CE1-OG1 3.25Å; H41-D130 IonicContact CE1-OD1 2.81Å; H41-D130 IonicContact CG-OD1 2.83Å; H41-D130 IonicContact ND1-OD1 3.53Å; H41-D130 PolarHBondContact ND1-OD1 2.87Å
42C98.1Very high97Very high0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-127.8126.7170.5-176.70000109.6H15 F40 T128 Y129H15-C42 CarbonylContact O-C 3.51Å; H15-C42 WeakPolarHBondContact O-CA 3.1Å; F40-C42 HydrophobicContact CE1-CB 3.79Å; F40-C42 HydrophobicContact CZ-CB 3.94Å; C42-T128 CarbonylContact O-C 3.51Å; C42-T128 WeakPolarHBondContact O-CA 3.43Å; C42-T128 WeakPolarHBondContact O-CB 3.48Å; C42-T128 PolarHBondContact O-OG1 3.35Å; C42-Y129 HydrophobicContact CB-CD1 4.19Å; C42-Y129 HydrophobicContact CB-CE1 3.76Å; C42-Y129 PolarHBondContact N-O 3.26Å; C42-Y129 PolarHBondContact O-N 3.03Å
43Q98.1Very high97Very high58 Ų5826.5 Ų26.527%0.27113%0.128SC..EExtended strand (participates in β ladder)trans-136.4135.1172.8179.4179.1-11.300110.1I14 H15 H41 T126 L127I14-Q43 WeakPolarHBondContact CA-O 2.96Å; H15-Q43 PolarHBondContact N-O 3.14Å; H15-Q43 PolarHBondContact O-N 3.02Å; H41-Q43 WeakPolarHBondContact NE2-CB 3.18Å; Q43-T126 HydrophobicContact CG-CG2 3.89Å; Q43-L127 CarbonylContact C-O 3.57Å; Q43-L127 WeakPolarHBondContact CA-O 3.27Å
44V98.3Very high96.8Very high0 Ų032.1 Ų32.10%015%0.153CC..EExtended strand (participates in β ladder)trans-128.7133.9177.11750000108.6V11 S13 I14 L61 T126 L127 L162V11-V44 HydrophobicContact CG1-CG1 4.3Å; S13-V44 WeakPolarHBondContact O-CA 3.46Å; I14-V44 HydrophobicContact CG1-CG1 4.39Å; I14-V44 HydrophobicContact CG1-CG2 4.11Å; I14-V44 HydrophobicContact CG2-CG2 4.19Å; V44-L61 HydrophobicContact CG2-CD2 3.9Å; V44-T126 CarbonylContact O-C 3.57Å; V44-T126 WeakPolarHBondContact O-CA 3.29Å; V44-L127 HydrophobicContact CB-CB 4.49Å; V44-L127 PolarHBondContact N-O 3.39Å; V44-L127 PolarHBondContact O-N 3.5Å; V44-L162 HydrophobicContact CG1-CD1 4.12Å; V44-L162 HydrophobicContact CG1-CD2 3.62Å; V44-L162 HydrophobicContact CG1-CG 4.46Å
45E98.4Very high96.5Very high64 Ų6431 Ų3130%0.29915%0.148SC..EExtended strand (participates in β ladder)trans-110.7134.1166.3-62.4-179.211700109.6L12 S13 I125 T126L12-E45 HydrophobicContact CB-CB 4.32Å; L12-E45 WeakPolarHBondContact CB-O 3.3Å; L12-E45 PolarHBondContact N-O 2.92Å; S13-E45 PolarHBondContact N-O 3.18Å; S13-E45 PolarHBondContact O-N 3.13Å; S13-E45 WeakPolarHBondContact OG-CB 3.33Å; S13-E45 PolarHBondContact OG-OE2 3.31Å; E45-I125 WeakPolarHBondContact CA-O 3.23Å; E45-T126 HydrophobicContact CG-CG2 4.17Å
46L97.4Very high96.2Very high0 Ų032.3 Ų32.30%015%0.153CC..EExtended strand (participates in β ladder)trans-133.9149177.862.794.8000110.4I9 H10 I48 I59 I124 I125 L127I9-L46 HydrophobicContact CG2-CD1 4.5Å; H10-L46 CarbonylContact O-C 3.58Å; H10-L46 WeakPolarHBondContact O-CA 3.37Å; L46-I48 HydrophobicContact CD1-CD1 3.98Å; L46-I48 HydrophobicContact CD1-CG1 3.72Å; L46-I59 HydrophobicContact CD2-CG2 3.74Å; L46-I124 CarbonylContact O-C 3.59Å; L46-I124 WeakPolarHBondContact O-CA 3.36Å; L46-I125 HydrophobicContact CD1-CB 3.71Å; L46-I125 HydrophobicContact CD1-CD1 3.61Å; L46-I125 HydrophobicContact CD1-CG1 4.23Å; L46-I125 HydrophobicContact CD1-CG2 4.31Å; L46-I125 HydrophobicContact CG-CB 3.93Å; L46-I125 HydrophobicContact CG-CG2 4.31Å; L46-I125 PolarHBondContact N-O 2.82Å; L46-I125 PolarHBondContact O-N 2.91Å; L46-L127 HydrophobicContact CD2-CD1 3.83Å; L46-L127 HydrophobicContact CD2-CG 4.34Å
47S97.7Very high96Very high18 Ų1829.3 Ų29.313%0.12614%0.14CC..EExtended strand (participates in β ladder)trans-109.2146.1169.252.60000110.1H10 L12 Q123H10-S47 PolarHBondContact N-O 3.05Å; H10-S47 PolarHBondContact O-N 2.89Å; L12-S47 WeakPolarHBondContact CD2-OG 3.48Å; S47-Q123 CarbonylContact C-O 3.51Å; S47-Q123 VanDerWaalsContact CA-O 3.3Å; S47-Q123 WeakPolarHBondContact CA-O 3.46Å
48I97.6Very high95.8Very high1 Ų129.3 Ų29.31%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-122.1117.4171.4-52.6-174.4000107.5L4 H8 L46 I59 L115 V120 D122 Q123 I125L4-I48 HydrophobicContact CD1-CG2 4.34Å; H8-I48 VanDerWaalsContact O-CA 3.28Å; H8-I48 WeakPolarHBondContact O-CA 3.41Å; L46-I48 HydrophobicContact CD1-CD1 3.98Å; L46-I48 HydrophobicContact CD1-CG1 3.72Å; I48-I59 HydrophobicContact CD1-CD1 3.59Å; I48-L115 HydrophobicContact CD1-CD1 3.71Å; I48-L115 HydrophobicContact CD1-CD2 4.35Å; I48-L115 HydrophobicContact CD1-CG 4.45Å; I48-V120 HydrophobicContact CG2-CG1 3.86Å; I48-D122 WeakPolarHBondContact O-CA 3.14Å; I48-Q123 HydrophobicContact CB-CG 4.24Å; I48-Q123 PolarHBondContact N-O 2.9Å; I48-Q123 PolarHBondContact O-N 3.31Å; I48-Q123 VanDerWaalsContact O-N 3.09Å; I48-I125 HydrophobicContact CD1-CD1 3.38Å; I48-I125 HydrophobicContact CG1-CD1 3.88Å
49N96.6Very high95.8Very high65 Ų6528.2 Ų28.235%0.34814%0.135SC..  trans-76.9156.9178.1-61.1-22.8000111.1H8 H10 C51 D122H8-N49 PolarHBondContact O-N 3.4Å; H10-N49 PolarHBondContact CD2-ND2 3.49Å; H10-N49 PolarHBondContact NE2-ND2 2.9Å; H10-N49 VanDerWaalsContact NE2-ND2 3.18Å; N49-C51 PolarHBondContact O-N 2.93Å; N49-C51 PolarHBondContact O-SG 2.89Å; N49-D122 VanDerWaalsContact CA-OD1 3.24Å; N49-D122 WeakPolarHBondContact CA-OD1 3.4Å
50E96.9Very high95.8Very high90 Ų9027.3 Ų27.342%0.42113%0.13SC..SBendtrans-56.7123.4-177.2-173.5178.9-151.400111.7M1 V120 D122M1-E50 HydrophobicContact CE-CG 4.29Å; M1-E50 VanDerWaalsContact CE-OE1 3.24Å; M1-E50 WeakPolarHBondContact CE-OE1 3.41Å; M1-E50 HydrophobicContact CG-CG 4.35Å; M1-E50 HydrophobicContact SD-CG 3.95Å; E50-V120 VanDerWaalsContact CA-O 3.24Å; E50-V120 WeakPolarHBondContact CA-O 3.37Å; E50-D122 PolarHBondContact N-OD1 2.78Å
51C96.7Very high95.8Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-159.3-179.3-176.461.10000111.9S2 N49 V120S2-C51 WeakPolarHBondContact O-CB 3.24Å; N49-C51 PolarHBondContact O-N 2.93Å; N49-C51 PolarHBondContact O-SG 2.89Å; C51-V120 PolarHBondContact N-O 2.97Å; C51-V120 PolarHBondContact O-N 2.87Å
52I96.4Very high95.8Very high59 Ų5926.3 Ų26.330%0.30313%0.125SC..EExtended strand (participates in β ladder)trans-115.2114.6175.1-59.5172.4000109.7M1 S2 N3 L4 K54 G118M1-I52 HydrophobicContact CB-CD1 3.99Å; M1-I52 HydrophobicContact CB-CG1 3.93Å; M1-I52 HydrophobicContact SD-CD1 4.38Å; M1-I52 HydrophobicContact SD-CG1 4Å; S2-I52 PolarHBondContact O-N 3.35Å; N3-I52 CarbonylContact C-O 3.52Å; N3-I52 VanDerWaalsContact CA-O 3.25Å; N3-I52 WeakPolarHBondContact CA-O 3.37Å; L4-I52 PolarHBondContact N-O 3.35Å; I52-K54 PolarHBondContact O-N 3.06Å; I52-G118 CarbonylContact C-O 3.56Å; I52-G118 WeakPolarHBondContact CA-O 3.34Å
53A93.7Very high95.8Very high2 Ų226.3 Ų26.32%0.01713%0.125CC..EExtended strand (participates in β ladder)trans-80.5107.6171.800000109.9L4 Q117 G118 V120L4-A53 HydrophobicContact CB-CB 4.3Å; L4-A53 HydrophobicContact CD2-CB 3.97Å; A53-Q117 CarbonylContact O-C 3.54Å; A53-Q117 VanDerWaalsContact O-CA 3.3Å; A53-Q117 WeakPolarHBondContact O-CA 3.48Å; A53-G118 PolarHBondContact N-O 3.26Å; A53-G118 PolarHBondContact O-N 2.91Å; A53-V120 HydrophobicContact CB-CG2 3.89Å
54K92.3Very high95.8Very high118 Ų11823.5 Ų23.551%0.51311%0.113SC..SBendtrans-78.9-28.4174.5-77.3-179.4171.4168.80112.5N3 I52 Q117N3-K54 PolarHBondContact ND2-NZ 2.8Å; N3-K54 WeakPolarHBondContact OD1-CE 3.38Å; N3-K54 PolarHBondContact OD1-NZ 3.3Å; I52-K54 PolarHBondContact O-N 3.06Å; K54-Q117 PolarHBondContact O-NE2 2.83Å
55E90.4Very high95.8Very high38 Ų3823.5 Ų23.518%0.17811%0.113CC..SBendtrans-115.9165.8177.1-6089.5164.200110W57 K166E55-W57 VanDerWaalsContact O-CD1 3.3Å; E55-K166 HydrophobicContact CB-CG 4.2Å; E55-K166 VanDerWaalsContact CD-NZ 3.34Å; E55-K166 VanDerWaalsContact OE1-CE 3.22Å; E55-K166 WeakPolarHBondContact OE1-CE 3.36Å; E55-K166 IonicContact OE1-NZ 3.59Å; E55-K166 PolarHBondContact OE1-NZ 2.57Å; E55-K166 WeakPolarHBondContact OE2-CE 3.35Å; E55-K166 IonicContact OE2-NZ 2.72Å; E55-K166 PolarHBondContact OE2-NZ 3.34Å
56Y91.4Very high95.7Very high34 Ų3422 Ų2213%0.13311%0.107CC..  trans-79.4140.1171.8176.7-101.4000109.4D114 L115 H167Y56-D114 HydrophobicContact CE2-CB 4.14Å; Y56-D114 WeakPolarHBondContact OH-CB 3.43Å; Y56-D114 PolarHBondContact OH-OD1 2.8Å; Y56-D114 PolarHBondContact OH-OD2 3.35Å; Y56-L115 WeakPolarHBondContact CD2-O 3.28Å; Y56-H167 HydrophobicContact CD1-CB 4.04Å; Y56-H167 AromaticContact CD1-CD2 3.24Å; Y56-H167 WeakPolarHBondContact CD1-CD2 3.48Å; Y56-H167 AromaticContact CD1-CG 3.78Å; Y56-H167 AromaticContact CD1-NE2 3.99Å; Y56-H167 AromaticContact CE1-CD2 3.62Å; Y56-H167 AromaticContact CE1-NE2 3.88Å; Y56-H167 WeakPolarHBondContact O-CB 3.46Å; Y56-H167 PolarHBondContact O-CD2 3.05Å; Y56-H167 PolarHBondContact O-N 2.82Å
57W93.5Very high95.7Very high4 Ų427.2 Ų27.22%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-128.2144.2178.3-68.670.9000111.4L4 E55 L115 A164 I165 K166 Y189L4-W57 HydrophobicContact CD2-CB 4.43Å; L4-W57 HydrophobicContact CD2-CD2 4.08Å; L4-W57 HydrophobicContact CD2-CG 3.82Å; L4-W57 HydrophobicContact CG-CZ2 4.45Å; E55-W57 VanDerWaalsContact O-CD1 3.3Å; W57-L115 HydrophobicContact CB-CB 4.02Å; W57-L115 HydrophobicContact CB-CD1 4.17Å; W57-L115 PolarHBondContact N-O 2.94Å; W57-L115 PolarHBondContact O-N 2.93Å; W57-A164 HydrophobicContact CE3-CB 4.09Å; W57-A164 HydrophobicContact CZ3-CB 4.11Å; W57-I165 CarbonylContact C-O 3.57Å; W57-I165 WeakPolarHBondContact CA-O 3.31Å; W57-K166 HydrophobicContact CD2-CB 3.84Å; W57-K166 HydrophobicContact CD2-CG 4.12Å; W57-K166 HydrophobicContact CE3-CB 3.84Å; W57-K166 HydrophobicContact CH2-CB 3.66Å; W57-K166 HydrophobicContact CH2-CD 4.05Å; W57-K166 HydrophobicContact CH2-CG 4.07Å; W57-K166 HydrophobicContact CZ2-CB 3.64Å; W57-K166 HydrophobicContact CZ2-CD 3.54Å; W57-K166 HydrophobicContact CZ2-CG 3.54Å; W57-K166 HydrophobicContact CZ3-CB 3.75Å; W57-Y189 HydrophobicContact CH2-CD2 4.1Å; W57-Y189 AromaticContact CH2-CE2 3.76Å; W57-Y189 HydrophobicContact CH2-CE2 3.76Å; W57-Y189 AromaticContact CZ3-CD2 3.73Å; W57-Y189 HydrophobicContact CZ3-CD2 3.73Å; W57-Y189 AromaticContact CZ3-CE2 3.86Å; W57-Y189 HydrophobicContact CZ3-CE2 3.86Å
58S93.5Very high95.6Very high1 Ų128.3 Ų28.31%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-116130.7166.5-55.60000109D114 A164 I165 H167S58-D114 PolarHBondContact OG-OD1 3.1Å; S58-D114 VanDerWaalsContact OG-OD1 3.05Å; S58-A164 CarbonylContact O-C 3.6Å; S58-A164 WeakPolarHBondContact O-CA 3.36Å; S58-I165 PolarHBondContact N-O 3.38Å; S58-I165 PolarHBondContact O-N 2.75Å; S58-H167 WeakPolarHBondContact CB-NE2 3.19Å; S58-H167 PolarHBondContact OG-NE2 2.82Å
59I95.5Very high95.7Very high0 Ų032.7 Ų32.70%015%0.152CC..EExtended strand (participates in β ladder)trans-117.8127.2173.6-54.6170.4000107.5I9 L46 I48 K112 Y113 L115 L127 L162 I163 A164 L191I9-I59 HydrophobicContact CD1-CD1 3.72Å; I9-I59 HydrophobicContact CD1-CG1 4.39Å; I9-I59 HydrophobicContact CG1-CD1 4.25Å; I9-I59 HydrophobicContact CG2-CD1 4.35Å; L46-I59 HydrophobicContact CD2-CG2 3.74Å; I48-I59 HydrophobicContact CD1-CD1 3.59Å; I59-K112 CarbonylContact O-C 3.56Å; I59-K112 WeakPolarHBondContact O-CA 3.34Å; I59-Y113 PolarHBondContact N-O 3.49Å; I59-Y113 PolarHBondContact O-N 3.16Å; I59-L115 HydrophobicContact CD1-CD1 3.81Å; I59-L127 HydrophobicContact CG2-CD1 4.32Å; I59-L162 HydrophobicContact CG2-CD1 4.44Å; I59-I163 CarbonylContact C-O 3.53Å; I59-I163 WeakPolarHBondContact CA-O 3.41Å; I59-A164 HydrophobicContact CG1-CB 4.03Å; I59-L191 HydrophobicContact CG2-CD1 4.17Å
60G95.7Very high95.7Very high0 Ų030.1 Ų30.10%014%0.138CC..EExtended strand (participates in β ladder)trans-171.5176.6-173.900000115.4F105 S111 I163G60-F105 VanDerWaalsContact CA-CD1 3.49Å; G60-S111 CarbonylContact C-O 3.47Å; G60-S111 WeakPolarHBondContact CA-O 3.45Å; G60-I163 PolarHBondContact N-O 2.83Å; G60-I163 PolarHBondContact O-N 2.83Å
61L97.1Very high95.8Very high0 Ų027.1 Ų27.10%012%0.124CC..EExtended strand (participates in β ladder)trans-99.4122.4-179.3-62.4165.9000109.9V44 F105 Y106 S111 L127 Y129 V160 W161 L162V44-L61 HydrophobicContact CG2-CD2 3.9Å; L61-F105 WeakPolarHBondContact O-CA 3.42Å; L61-Y106 PolarHBondContact O-N 3.29Å; L61-S111 PolarHBondContact N-O 3.26Å; L61-L127 HydrophobicContact CD1-CB 4.05Å; L61-L127 HydrophobicContact CG-CB 4.42Å; L61-Y129 HydrophobicContact CB-CD1 4.26Å; L61-Y129 HydrophobicContact CB-CE1 3.89Å; L61-Y129 HydrophobicContact CD1-CD1 3.72Å; L61-Y129 HydrophobicContact CD1-CE1 3.78Å; L61-Y129 HydrophobicContact CG-CE1 4.39Å; L61-V160 HydrophobicContact CB-CG1 4.31Å; L61-V160 HydrophobicContact CD2-CG1 4.15Å; L61-W161 WeakPolarHBondContact CA-O 3.44Å; L61-L162 HydrophobicContact CD2-CB 4.11Å; L61-L162 HydrophobicContact CD2-CD1 3.94Å; L61-L162 HydrophobicContact CG-CD1 4.48Å
62V96.4Very high95.8Very high0 Ų027.5 Ų27.50%013%0.126CC..EExtended strand (participates in β ladder)trans-109.9123.2175.2175.20000108.2P104 F105 V160 W161 I163 A239V62-P104 HydrophobicContact CB-CB 4.44Å; V62-P104 HydrophobicContact CG1-CB 3.96Å; V62-P104 HydrophobicContact CG2-CB 3.6Å; V62-P104 HydrophobicContact CG2-CG 3.46Å; V62-P104 VanDerWaalsContact CG2-CG 3.46Å; V62-F105 HydrophobicContact CG2-CD1 3.96Å; V62-F105 HydrophobicContact CG2-CE1 4.25Å; V62-V160 CarbonylContact O-C 3.24Å; V62-V160 WeakPolarHBondContact O-CA 3.46Å; V62-W161 HydrophobicContact CG1-CE3 4.31Å; V62-W161 PolarHBondContact N-O 3.33Å; V62-W161 PolarHBondContact O-N 2.75Å; V62-I163 HydrophobicContact CG2-CD1 3.45Å; V62-I163 VanDerWaalsContact CG2-CD1 3.45Å; V62-I163 HydrophobicContact CG2-CG1 3.93Å; V62-A239 WeakPolarHBondContact CG1-O 3.24Å
63Q97.5Very high95.9Very high0 Ų025.5 Ų25.50%012%0.118CC..EExtended strand (participates in β ladder)trans-107.3142.2172.2-176.6165.1-85.900110.6D97 Y106 Y129 D131 F158 W159 V160Q63-D97 HydrophobicContact CB-CB 4.18Å; Q63-D97 HydrophobicContact CG-CB 3.97Å; Q63-D97 PolarHBondContact NE2-OD2 2.88Å; Q63-D97 PolarHBondContact O-N 3.26Å; Q63-Y106 HydrophobicContact CB-CD2 3.9Å; Q63-Y129 PolarHBondContact OE1-OH 2.86Å; Q63-D131 PolarHBondContact NE2-OD2 2.68Å; Q63-F158 HydrophobicContact CG-CB 4.25Å; Q63-F158 HydrophobicContact CG-CD1 3.81Å; Q63-F158 HydrophobicContact CG-CG 4.4Å; Q63-W159 CarbonylContact C-O 3.46Å; Q63-W159 VanDerWaalsContact CA-O 3.29Å; Q63-W159 WeakPolarHBondContact CA-O 3.49Å; Q63-V160 HydrophobicContact CB-CG2 4.39Å; Q63-V160 HydrophobicContact CG-CG2 4.22Å
64A98Very high96Very high0 Ų025.7 Ų25.70%012%0.118CC..EExtended strand (participates in β ladder)trans-144.7144.4169.500000111.4M94 V95 F158 W159 W161 A239A64-M94 HydrophobicContact CB-CB 3.99Å; A64-M94 HydrophobicContact CB-SD 4.38Å; A64-V95 CarbonylContact C-O 3.56Å; A64-V95 WeakPolarHBondContact CA-O 3.41Å; A64-V95 WeakPolarHBondContact CB-O 3.31Å; A64-F158 WeakPolarHBondContact O-CA 3.49Å; A64-W159 PolarHBondContact N-O 2.82Å; A64-W159 PolarHBondContact O-N 3.31Å; A64-W161 HydrophobicContact CB-CH2 4.5Å; A64-W161 HydrophobicContact CB-CZ3 3.96Å; A64-A239 HydrophobicContact CB-CB 3.62Å
65C98.3Very high96Very high0 Ų021.7 Ų21.70%011%0.11CC..EExtended strand (participates in β ladder)trans-89.9128.4175.8-174.80000109.9Q67 F84 M94 V95 T157 F158C65-Q67 PolarHBondContact SG-O 3.3Å; C65-F84 HydrophobicContact CB-CE2 4.24Å; C65-M94 CarbonylContact O-C 3.55Å; C65-M94 VanDerWaalsContact O-CA 3.27Å; C65-M94 WeakPolarHBondContact O-CA 3.46Å; C65-V95 PolarHBondContact N-O 2.94Å; C65-V95 PolarHBondContact O-N 3.44Å; C65-T157 WeakPolarHBondContact CA-O 3.46Å; C65-F158 HydrophobicContact CB-CD1 3.77Å; C65-F158 HydrophobicContact CB-CE1 3.58Å; C65-F158 HydrophobicContact CB-CZ 4.32Å
66D96.6Very high96Very high33 Ų3327.2 Ų27.218%0.17614%0.141CC..EExtended strand (participates in β ladder)trans-108.3-23.4176.471.9-25.8000113M94 T157 W159 R195D66-M94 HydrophobicContact CB-CE 3.93Å; D66-M94 HydrophobicContact CB-CG 3.78Å; D66-M94 HydrophobicContact CB-SD 4.34Å; D66-T157 PolarHBondContact N-O 2.88Å; D66-T157 WeakPolarHBondContact OD1-CB 3.46Å; D66-T157 WeakPolarHBondContact OD1-CG2 3.33Å; D66-T157 VanDerWaalsContact OD1-O 3.11Å; D66-W159 PolarHBondContact OD2-NE1 2.71Å; D66-R195 IonicContact OD2-NH2 3.23Å
67Q97.1Very high96Very high108 Ų10832 Ų3251%0.50516%0.16SC..EExtended strand (participates in β ladder)trans-135136.9177.1-61.3-177.7-38.600111.2C65 Q156 T157C65-Q67 PolarHBondContact SG-O 3.3Å; Q67-Q156 VanDerWaalsContact O-CA 3.32Å; Q67-Q156 WeakPolarHBondContact O-CA 3.33Å; Q67-T157 PolarHBondContact O-N 2.77Å; Q67-T157 PolarHBondContact OE1-OG1 3.48Å; Q67-T157 VanDerWaalsContact OE1-OG1 3.09Å
68L97.1Very high96Very high41 Ų4131.9 Ų31.922%0.21516%0.159CC..EExtended strand (participates in β ladder)trans-140.4122.8-173.1-173.886.6000110.3L70 W82 F84 L87 Q156L68-L70 HydrophobicContact CD1-CD1 3.1Å; L68-L70 HydrophobicContact CD1-CG 4.44Å; L68-L70 HydrophobicContact CD2-CD1 4.39Å; L68-L70 HydrophobicContact CG-CD1 3.46Å; L68-L70 VanDerWaalsContact CG-CD1 3.46Å; L68-W82 WeakPolarHBondContact CD2-O 3.46Å; L68-F84 HydrophobicContact CD1-CD2 4.2Å; L68-F84 HydrophobicContact CD1-CE1 4.01Å; L68-F84 HydrophobicContact CD1-CE2 3.66Å; L68-F84 HydrophobicContact CD1-CZ 3.55Å; L68-F84 HydrophobicContact CD2-CB 4.14Å; L68-F84 HydrophobicContact CD2-CD1 3.54Å; L68-F84 HydrophobicContact CD2-CD2 3.9Å; L68-F84 HydrophobicContact CD2-CE1 3.75Å; L68-F84 HydrophobicContact CD2-CE2 4.13Å; L68-F84 HydrophobicContact CD2-CG 3.61Å; L68-F84 HydrophobicContact CD2-CZ 4.05Å; L68-F84 HydrophobicContact CG-CD2 4.5Å; L68-F84 HydrophobicContact CG-CE2 4.42Å; L68-F84 HydrophobicContact CG-CZ 4.45Å; L68-L87 HydrophobicContact CB-CD1 4.21Å; L68-Q156 HydrophobicContact CD1-CG 3.94Å
69Y98.4Very high96.2Very high94 Ų9432.4 Ų32.437%0.36916%0.163SC..EExtended strand (participates in β ladder)trans-138.1105.9164.1-174.2-90.9000108.9E71 L81 I153 R154 K155Y69-E71 HydrophobicContact CD1-CB 4.45Å; Y69-E71 HydrophobicContact CE1-CB 3.72Å; Y69-E71 WeakPolarHBondContact CE1-OE2 3.09Å; Y69-E71 VanDerWaalsContact CZ-OE2 3.28Å; Y69-E71 VanDerWaalsContact OH-CD 3.31Å; Y69-E71 PolarHBondContact OH-OE2 3.43Å; Y69-L81 HydrophobicContact CE2-CD2 4.32Å; Y69-I153 HydrophobicContact CD1-CG2 3.98Å; Y69-I153 HydrophobicContact CE1-CB 4.19Å; Y69-I153 HydrophobicContact CE1-CG2 3.8Å; Y69-R154 CarbonylContact O-C 3.56Å; Y69-R154 WeakPolarHBondContact O-CA 3.4Å; Y69-K155 PolarHBondContact N-O 2.76Å; Y69-K155 PolarHBondContact O-N 2.88Å
70L97.8Very high96.2Very high11 Ų1132.4 Ų32.46%0.05816%0.163CC..EExtended strand (participates in β ladder)trans-129.4104.5-179.9-81.579.6000108.4L68 L81 W82 I153 R154 Q156L68-L70 HydrophobicContact CD1-CD1 3.1Å; L68-L70 HydrophobicContact CD1-CG 4.44Å; L68-L70 HydrophobicContact CD2-CD1 4.39Å; L68-L70 HydrophobicContact CG-CD1 3.46Å; L68-L70 VanDerWaalsContact CG-CD1 3.46Å; L70-L81 CarbonylContact O-C 3.5Å; L70-L81 VanDerWaalsContact O-CA 3.24Å; L70-L81 WeakPolarHBondContact O-CA 3.48Å; L70-W82 HydrophobicContact CB-CB 3.71Å; L70-W82 HydrophobicContact CB-CG 4.4Å; L70-W82 HydrophobicContact CD2-CB 4.01Å; L70-W82 HydrophobicContact CD2-CG 4.32Å; L70-W82 HydrophobicContact CG-CB 4.46Å; L70-W82 PolarHBondContact O-N 3.08Å; L70-I153 CarbonylContact C-O 3.33Å; L70-I153 WeakPolarHBondContact CA-O 3.49Å; L70-R154 HydrophobicContact CG-CG 4.15Å; L70-Q156 HydrophobicContact CD1-CG 3.69Å
71E98.3Very high96.3Very high27 Ų2734 Ų3413%0.12617%0.171CC..EExtended strand (participates in β ladder)trans-120.2133-176-171.3-174.3-169.400109.6Y69 C73 S79 T80 L81 I152 I153Y69-E71 HydrophobicContact CD1-CB 4.45Å; Y69-E71 HydrophobicContact CE1-CB 3.72Å; Y69-E71 WeakPolarHBondContact CE1-OE2 3.09Å; Y69-E71 VanDerWaalsContact CZ-OE2 3.28Å; Y69-E71 VanDerWaalsContact OH-CD 3.31Å; Y69-E71 PolarHBondContact OH-OE2 3.43Å; E71-C73 PolarHBondContact OE1-SG 3.05Å; E71-C73 VanDerWaalsContact OE1-SG 3.42Å; E71-S79 WeakPolarHBondContact OE1-CB 3.37Å; E71-S79 PolarHBondContact OE1-OG 3.1Å; E71-T80 WeakPolarHBondContact CA-O 3.21Å; E71-L81 HydrophobicContact CB-CG 4.39Å; E71-L81 HydrophobicContact CG-CD1 4.44Å; E71-L81 HydrophobicContact CG-CG 4.28Å; E71-I152 WeakPolarHBondContact O-CA 3.47Å; E71-I153 HydrophobicContact CB-CB 4.41Å; E71-I153 PolarHBondContact N-O 3.37Å; E71-I153 PolarHBondContact O-N 2.92Å
72N97.9Very high96.3Very high8 Ų835.7 Ų35.74%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-109.1114.3162-44.9-61.7000106.9Y74 S79 T80 V137 L149 D151N72-Y74 HydrophobicContact CB-CE2 3.94Å; N72-Y74 VanDerWaalsContact O-CD2 3.31Å; N72-Y74 WeakPolarHBondContact O-CD2 3.49Å; N72-Y74 VanDerWaalsContact O-CE2 3.3Å; N72-Y74 WeakPolarHBondContact O-CE2 3.37Å; N72-S79 CarbonylContact O-C 3.52Å; N72-S79 VanDerWaalsContact O-CA 3.28Å; N72-S79 WeakPolarHBondContact O-CA 3.45Å; N72-T80 WeakPolarHBondContact CB-OG1 3.32Å; N72-T80 PolarHBondContact N-O 3.2Å; N72-T80 PolarHBondContact ND2-OG1 2.84Å; N72-T80 PolarHBondContact O-N 3.26Å; N72-V137 HydrophobicContact CB-CG1 4.12Å; N72-L149 HydrophobicContact CB-CD1 3.59Å; N72-D151 CarbonylContact C-O 3.53Å; N72-D151 WeakPolarHBondContact CA-O 3.37Å
73C98Very high96.4Very high17 Ų1736.8 Ų36.812%0.11518%0.183CC..EExtended strand (participates in β ladder)trans-90.2140-178-49.20000109.9E71 L149 T150 D151E71-C73 PolarHBondContact OE1-SG 3.05Å; E71-C73 VanDerWaalsContact OE1-SG 3.42Å; C73-L149 WeakPolarHBondContact O-CA 3.17Å; C73-L149 WeakPolarHBondContact O-CD1 3.43Å; C73-T150 PolarHBondContact O-N 2.72Å; C73-T150 PolarHBondContact O-OG1 2.83Å; C73-D151 HydrophobicContact CB-CB 3.83Å; C73-D151 PolarHBondContact N-O 3.42Å; C73-D151 PolarHBondContact O-N 2.82Å
74Y95.9Very high96.4Very high6 Ų637.1 Ų37.12%0.02418%0.184CC..  trans-120.258.4176.9-60.8-103.7000109.7N72 N76 Y77 G78 T80 A138 L141 I147 Q148 L149 W253N72-Y74 HydrophobicContact CB-CE2 3.94Å; N72-Y74 VanDerWaalsContact O-CD2 3.31Å; N72-Y74 WeakPolarHBondContact O-CD2 3.49Å; N72-Y74 VanDerWaalsContact O-CE2 3.3Å; N72-Y74 WeakPolarHBondContact O-CE2 3.37Å; Y74-N76 PolarHBondContact O-N 2.78Å; Y74-Y77 WeakPolarHBondContact O-CB 3.36Å; Y74-Y77 WeakPolarHBondContact O-CD2 3.43Å; Y74-Y77 PolarHBondContact O-N 2.96Å; Y74-G78 PolarHBondContact N-O 2.81Å; Y74-T80 HydrophobicContact CE2-CG2 3.83Å; Y74-A138 PolarHBondContact OH-O 2.81Å; Y74-L141 HydrophobicContact CD1-CD1 4.42Å; Y74-L141 HydrophobicContact CD1-CD2 4.36Å; Y74-L141 HydrophobicContact CD1-CG 3.88Å; Y74-L141 HydrophobicContact CD2-CD1 4.42Å; Y74-L141 HydrophobicContact CD2-CD2 4.1Å; Y74-L141 HydrophobicContact CD2-CG 4.27Å; Y74-L141 HydrophobicContact CE1-CD2 3.93Å; Y74-L141 HydrophobicContact CE1-CG 3.8Å; Y74-L141 HydrophobicContact CE2-CD2 3.63Å; Y74-L141 HydrophobicContact CE2-CG 4.18Å; Y74-L141 HydrophobicContact CG-CD1 4.27Å; Y74-L141 HydrophobicContact CG-CD2 4.46Å; Y74-L141 HydrophobicContact CG-CG 4.13Å; Y74-I147 HydrophobicContact CD1-CG2 4.09Å; Y74-I147 HydrophobicContact CG-CG2 4.02Å; Y74-Q148 VanDerWaalsContact CA-O 3.29Å; Y74-Q148 WeakPolarHBondContact CA-O 3.27Å; Y74-L149 HydrophobicContact CD1-CB 4.22Å; Y74-L149 HydrophobicContact CE1-CB 4.03Å; Y74-L149 HydrophobicContact CE1-CD1 4.19Å; Y74-L149 HydrophobicContact CE2-CD1 4.2Å; Y74-W253 AromaticContact CD2-CZ3 3.76Å; Y74-W253 HydrophobicContact CD2-CZ3 3.76Å; Y74-W253 HydrophobicContact CE2-CZ3 4.41Å; Y74-W253 HydrophobicContact CG-CZ3 4.33Å
75G90.9Very high96.4Very high34 Ų3437.2 Ų37.235%0.35119%0.185SC..G310 helixtrans53.7-133.9-177.700000113.3Y77 T150G75-Y77 PolarHBondContact O-N 3.06Å; G75-T150 PolarHBondContact N-OG1 2.84Å
76N90.5Very high96.4Very high153 Ų15337.4 Ų37.482%0.81819%0.186SC*.G310 helixtrans-75.9-2.7-176-66.7-30.4000114.2Y74 N256Y74-N76 PolarHBondContact O-N 2.78Å; N76-N256 PolarHBondContact O-ND2 2.75Å
77Y92.2Very high96.4Very high136 Ų13637.3 Ų37.353%0.53319%0.185SC..G310 helixtrans-87.2-29-173.2-62-79.7000113.6Y74 G75 I147 N256Y74-Y77 WeakPolarHBondContact O-CB 3.36Å; Y74-Y77 WeakPolarHBondContact O-CD2 3.43Å; Y74-Y77 PolarHBondContact O-N 2.96Å; G75-Y77 PolarHBondContact O-N 3.06Å; Y77-I147 HydrophobicContact CD1-CD1 3.77Å; Y77-I147 HydrophobicContact CD1-CG1 3.91Å; Y77-I147 HydrophobicContact CD2-CB 4.29Å; Y77-I147 HydrophobicContact CD2-CG1 4.02Å; Y77-I147 HydrophobicContact CD2-CG2 3.83Å; Y77-I147 HydrophobicContact CE1-CD1 4.49Å; Y77-I147 HydrophobicContact CE1-CG1 4.27Å; Y77-I147 HydrophobicContact CE2-CG1 4.38Å; Y77-I147 HydrophobicContact CG-CB 4.36Å; Y77-I147 HydrophobicContact CG-CD1 3.79Å; Y77-I147 HydrophobicContact CG-CG1 3.78Å; Y77-I147 HydrophobicContact CG-CG2 3.87Å; Y77-N256 PolarHBondContact O-N 2.77Å
78G94.6Very high96.3Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans141.1-164.6-178.400000112.4Y74 Y254 N256Y74-G78 PolarHBondContact N-O 2.81Å; G78-Y254 VanDerWaalsContact CA-O 3.31Å; G78-Y254 WeakPolarHBondContact CA-O 3.36Å; G78-N256 WeakPolarHBondContact CA-OD1 3.49Å; G78-N256 PolarHBondContact N-ND2 3.35Å
79S96.1Very high96.2Very high13 Ų1336 Ų369%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-140.7149.4-175.5-60.50000112.8E71 N72 W253 Y254E71-S79 WeakPolarHBondContact OE1-CB 3.37Å; E71-S79 PolarHBondContact OE1-OG 3.1Å; N72-S79 CarbonylContact O-C 3.52Å; N72-S79 VanDerWaalsContact O-CA 3.28Å; N72-S79 WeakPolarHBondContact O-CA 3.45Å; S79-W253 VanDerWaalsContact CA-CZ3 3.49Å; S79-Y254 PolarHBondContact N-O 2.66Å; S79-Y254 PolarHBondContact O-N 2.83Å
80T95.9Very high96Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-94.5133.6161.562.40000109.4E71 N72 Y74 L141 I252 W253 I265E71-T80 WeakPolarHBondContact CA-O 3.21Å; N72-T80 WeakPolarHBondContact CB-OG1 3.32Å; N72-T80 PolarHBondContact N-O 3.2Å; N72-T80 PolarHBondContact ND2-OG1 2.84Å; N72-T80 PolarHBondContact O-N 3.26Å; Y74-T80 HydrophobicContact CE2-CG2 3.83Å; T80-L141 HydrophobicContact CG2-CD2 3.44Å; T80-L141 VanDerWaalsContact CG2-CD2 3.44Å; T80-I252 CarbonylContact C-O 3.46Å; T80-I252 VanDerWaalsContact CA-O 3.23Å; T80-I252 WeakPolarHBondContact CA-O 3.18Å; T80-W253 HydrophobicContact CG2-CB 4.41Å; T80-W253 HydrophobicContact CG2-CE3 3.71Å; T80-W253 HydrophobicContact CG2-CZ3 4.45Å; T80-I265 HydrophobicContact CG2-CD1 3.56Å
81L97.6Very high95.9Very high32 Ų3237.5 Ų37.517%0.16821%0.205CC..EExtended strand (participates in β ladder)trans-112.2133.1172.3-71.991.8000110.9Y69 L70 E71 E83 L251 I252 Y254Y69-L81 HydrophobicContact CE2-CD2 4.32Å; L70-L81 CarbonylContact O-C 3.5Å; L70-L81 VanDerWaalsContact O-CA 3.24Å; L70-L81 WeakPolarHBondContact O-CA 3.48Å; E71-L81 HydrophobicContact CB-CG 4.39Å; E71-L81 HydrophobicContact CG-CD1 4.44Å; E71-L81 HydrophobicContact CG-CG 4.28Å; L81-E83 HydrophobicContact CB-CG 3.92Å; L81-L251 WeakPolarHBondContact O-CA 3.21Å; L81-I252 PolarHBondContact N-O 2.98Å; L81-I252 PolarHBondContact O-N 3.06Å; L81-Y254 HydrophobicContact CB-CD2 4.28Å; L81-Y254 HydrophobicContact CB-CE2 4.11Å; L81-Y254 HydrophobicContact CD1-CD2 3.4Å; L81-Y254 HydrophobicContact CD1-CE2 3.98Å; L81-Y254 HydrophobicContact CD1-CG 4.21Å; L81-Y254 HydrophobicContact CG-CD2 4.41Å
82W97.9Very high95.9Very high37 Ų3736.5 Ų36.514%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-81126161.8-74.2104.1000108.8L68 L70 Q249 S250 L251 I266L68-W82 WeakPolarHBondContact CD2-O 3.46Å; L70-W82 HydrophobicContact CB-CB 3.71Å; L70-W82 HydrophobicContact CB-CG 4.4Å; L70-W82 HydrophobicContact CD2-CB 4.01Å; L70-W82 HydrophobicContact CD2-CG 4.32Å; L70-W82 HydrophobicContact CG-CB 4.46Å; L70-W82 PolarHBondContact O-N 3.08Å; W82-Q249 HydrophobicContact CE3-CB 3.87Å; W82-Q249 HydrophobicContact CE3-CG 3.85Å; W82-Q249 HydrophobicContact CZ3-CB 4.16Å; W82-Q249 HydrophobicContact CZ3-CG 3.64Å; W82-S250 CarbonylContact C-O 3.53Å; W82-S250 VanDerWaalsContact CA-O 3.32Å; W82-S250 WeakPolarHBondContact CA-O 3.24Å; W82-L251 HydrophobicContact CD2-CB 4.11Å; W82-L251 HydrophobicContact CD2-CD1 3.82Å; W82-L251 HydrophobicContact CE3-CB 3.9Å; W82-L251 HydrophobicContact CE3-CD1 4.45Å; W82-L251 HydrophobicContact CG-CD1 3.88Å; W82-L251 HydrophobicContact CH2-CB 4.04Å; W82-L251 HydrophobicContact CZ2-CB 4.21Å; W82-L251 HydrophobicContact CZ2-CD1 4.42Å; W82-L251 HydrophobicContact CZ2-CD2 4.23Å; W82-L251 HydrophobicContact CZ3-CB 3.86Å; W82-I266 HydrophobicContact CH2-CB 4.23Å; W82-I266 HydrophobicContact CH2-CD1 3.48Å; W82-I266 VanDerWaalsContact CH2-CD1 3.48Å; W82-I266 HydrophobicContact CH2-CG1 4.41Å; W82-I266 HydrophobicContact CH2-CG2 4.15Å; W82-I266 HydrophobicContact CZ2-CD1 3.92Å; W82-I266 HydrophobicContact CZ3-CB 4.31Å; W82-I266 HydrophobicContact CZ3-CD1 4.38Å; W82-I266 HydrophobicContact CZ3-CG2 4.22Å
83E97.9Very high95.8Very high23 Ų2340.4 Ų40.411%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-134138.5-172.8-58.8-167.7132.800111.1L81 K88 S250 Y254 M282L81-E83 HydrophobicContact CB-CG 3.92Å; E83-K88 HydrophobicContact CB-CD 4.42Å; E83-K88 HydrophobicContact CG-CD 4.49Å; E83-K88 WeakPolarHBondContact OE1-CD 3.46Å; E83-K88 IonicContact OE1-NZ 3.82Å; E83-K88 PolarHBondContact OE1-NZ 2.86Å; E83-K88 WeakPolarHBondContact OE2-CD 3.42Å; E83-K88 IonicContact OE2-NZ 2.64Å; E83-K88 PolarHBondContact OE2-NZ 2.95Å; E83-S250 PolarHBondContact N-O 3.42Å; E83-S250 PolarHBondContact O-N 3.3Å; E83-S250 PolarHBondContact O-OG 2.98Å; E83-Y254 PolarHBondContact OE2-OH 3.47Å; E83-M282 HydrophobicContact CB-CE 3.7Å; E83-M282 HydrophobicContact CG-CE 4.47Å; E83-M282 WeakPolarHBondContact OE2-CE 3.2Å
84F98Very high95.7Very high7 Ų740 Ų403%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-100.1107.6170.2-60.8-5.8000107.6C65 L68 P86 L87 K88 V95 C245 A248 Q249C65-F84 HydrophobicContact CB-CE2 4.24Å; L68-F84 HydrophobicContact CD1-CD2 4.2Å; L68-F84 HydrophobicContact CD1-CE1 4.01Å; L68-F84 HydrophobicContact CD1-CE2 3.66Å; L68-F84 HydrophobicContact CD1-CZ 3.55Å; L68-F84 HydrophobicContact CD2-CB 4.14Å; L68-F84 HydrophobicContact CD2-CD1 3.54Å; L68-F84 HydrophobicContact CD2-CD2 3.9Å; L68-F84 HydrophobicContact CD2-CE1 3.75Å; L68-F84 HydrophobicContact CD2-CE2 4.13Å; L68-F84 HydrophobicContact CD2-CG 3.61Å; L68-F84 HydrophobicContact CD2-CZ 4.05Å; L68-F84 HydrophobicContact CG-CD2 4.5Å; L68-F84 HydrophobicContact CG-CE2 4.42Å; L68-F84 HydrophobicContact CG-CZ 4.45Å; F84-P86 VanDerWaalsContact C-N 3.28Å; F84-L87 HydrophobicContact CB-CB 4.38Å; F84-L87 HydrophobicContact CB-CD1 4.29Å; F84-L87 HydrophobicContact CB-CG 4.2Å; F84-L87 HydrophobicContact CD2-CD1 3.84Å; F84-L87 HydrophobicContact CD2-CG 4.45Å; F84-L87 PolarHBondContact O-N 3.22Å; F84-L87 VanDerWaalsContact O-N 3.09Å; F84-K88 PolarHBondContact O-N 3Å; F84-V95 HydrophobicContact CB-CG2 4.27Å; F84-V95 HydrophobicContact CD2-CB 4.04Å; F84-V95 HydrophobicContact CD2-CG1 4.28Å; F84-V95 HydrophobicContact CD2-CG2 4.03Å; F84-C245 HydrophobicContact CE2-CB 3.82Å; F84-C245 VanDerWaalsContact CE2-SG 3.57Å; F84-C245 HydrophobicContact CZ-CB 3.64Å; F84-A248 HydrophobicContact CG-CB 4.48Å; F84-Q249 HydrophobicContact CD1-CB 3.77Å; F84-Q249 HydrophobicContact CE1-CB 3.49Å; F84-Q249 VanDerWaalsContact CE1-CB 3.49Å
85H97.6Very high95.8Very high2 Ų239.8 Ų39.81%0.00921%0.212CC..Hα-helixtrans-48.8-44.9176.8166.4-96.3000113L87 K88 S89 V273 W278 D281 M282H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 PolarHBondContact O-N 2.81Å; H85-K88 PolarHBondContact O-N 2.83Å; H85-S89 WeakPolarHBondContact O-CB 3.44Å; H85-S89 PolarHBondContact O-N 2.88Å; H85-S89 PolarHBondContact O-OG 2.97Å; H85-V273 WeakPolarHBondContact CE1-CG2 3.49Å; H85-W278 AromaticContact CD2-CD1 3.68Å; H85-W278 AromaticContact CG-CD1 3.28Å; H85-W278 AromaticContact CG-NE1 3.45Å; H85-W278 AromaticContact ND1-CD1 3.58Å; H85-D281 IonicContact CE1-OD2 3.31Å; H85-D281 WeakPolarHBondContact NE2-CB 3.08Å; H85-D281 IonicContact NE2-OD2 3.76Å; H85-D281 PolarHBondContact NE2-OD2 3.38Å; H85-M282 HydrophobicContact CB-CG 4.42Å; H85-M282 HydrophobicContact CB-SD 3.71Å
86P97.8Very high96.1Very high3 Ų338.1 Ų38.12%0.01920%0.195CC..Hα-helixtrans-54.4-40.8179.3-26.533.9000114.4F84 R91 H92 V95 P243 I272F84-P86 VanDerWaalsContact C-N 3.28Å; P86-R91 PolarHBondContact O-N 2.98Å; P86-H92 HydrophobicContact CB-CB 3.79Å; P86-H92 PolarHBondContact O-N 3.26Å; P86-V95 HydrophobicContact CB-CG2 3.89Å; P86-V95 HydrophobicContact CG-CG2 4.17Å; P86-P243 HydrophobicContact CG-CG 4.04Å; P86-I272 HydrophobicContact CB-CD1 3.85Å; P86-I272 HydrophobicContact CG-CD1 3.97Å; P86-I272 HydrophobicContact CG-CG1 4.15Å; P86-I272 HydrophobicContact CG-CG2 4.26Å
87L97.2Very high96.4Very high32 Ų3231.7 Ų31.717%0.16816%0.161CC..Hα-helixtrans-76.4-47.3176.6-60.3-176.3000111.3L68 F84 H85 S89 G90 K93 V95L68-L87 HydrophobicContact CB-CD1 4.21Å; F84-L87 HydrophobicContact CB-CB 4.38Å; F84-L87 HydrophobicContact CB-CD1 4.29Å; F84-L87 HydrophobicContact CB-CG 4.2Å; F84-L87 HydrophobicContact CD2-CD1 3.84Å; F84-L87 HydrophobicContact CD2-CG 4.45Å; F84-L87 PolarHBondContact O-N 3.22Å; F84-L87 VanDerWaalsContact O-N 3.09Å; H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 PolarHBondContact O-N 2.81Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.8Å; L87-G90 PolarHBondContact O-N 2.62Å; L87-K93 WeakPolarHBondContact CD2-O 3.49Å; L87-V95 HydrophobicContact CD1-CG2 4.4Å; L87-V95 HydrophobicContact CD2-CG2 4.07Å; L87-V95 HydrophobicContact CG-CG2 3.84Å
88K95.8Very high96.4Very high84 Ų8425.3 Ų25.337%0.36514%0.136SC..Hα-helixtrans-61.8-38.8-176.3177.4164.5174.7169.10112.6E83 F84 H85 G90 Y254 M282E83-K88 HydrophobicContact CB-CD 4.42Å; E83-K88 HydrophobicContact CG-CD 4.49Å; E83-K88 WeakPolarHBondContact OE1-CD 3.46Å; E83-K88 IonicContact OE1-NZ 3.82Å; E83-K88 PolarHBondContact OE1-NZ 2.86Å; E83-K88 WeakPolarHBondContact OE2-CD 3.42Å; E83-K88 IonicContact OE2-NZ 2.64Å; E83-K88 PolarHBondContact OE2-NZ 2.95Å; F84-K88 PolarHBondContact O-N 3Å; H85-K88 PolarHBondContact O-N 2.83Å; K88-G90 VanDerWaalsContact C-N 3.26Å; K88-G90 PolarHBondContact O-N 2.83Å; K88-Y254 PolarHBondContact NZ-OH 2.92Å; K88-M282 HydrophobicContact CB-SD 4.49Å; K88-M282 HydrophobicContact CD-CE 3.91Å; K88-M282 HydrophobicContact CD-SD 3.88Å; K88-M282 HydrophobicContact CG-SD 4.38Å
89S94.8Very high96Very high36 Ų3628.4 Ų28.425%0.25215%0.153SC..THydrogen-bonded Turntrans-81.4-4.6176.469.60000113.3H85 L87 R91H85-S89 WeakPolarHBondContact O-CB 3.44Å; H85-S89 PolarHBondContact O-N 2.88Å; H85-S89 PolarHBondContact O-OG 2.97Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.8Å; S89-R91 PolarHBondContact O-N 3.09Å; S89-R91 WeakPolarHBondContact OG-CB 3.44Å; S89-R91 WeakPolarHBondContact OG-CD 3.34Å; S89-R91 WeakPolarHBondContact OG-CG 3.15Å
90G94.4Very high95.5Very high64 Ų6429.1 Ų29.166%0.6616%0.162SC*.THydrogen-bonded Turntrans63.821.4-174.800000114.3L87 K88L87-G90 PolarHBondContact O-N 2.62Å; K88-G90 VanDerWaalsContact C-N 3.26Å; K88-G90 PolarHBondContact O-N 2.83Å
91R95.3Very high94.8Very high73 Ų7334.3 Ų34.328%0.27519%0.189SC..SBendtrans-83-37-175.9-76172.9-176.6-78.3-3.5111.7P86 S89 I272 D281 E301P86-R91 PolarHBondContact O-N 2.98Å; S89-R91 PolarHBondContact O-N 3.09Å; S89-R91 WeakPolarHBondContact OG-CB 3.44Å; S89-R91 WeakPolarHBondContact OG-CD 3.34Å; S89-R91 WeakPolarHBondContact OG-CG 3.15Å; R91-I272 HydrophobicContact CB-CD1 3.71Å; R91-D281 IonicContact CZ-OD2 2.93Å; R91-D281 IonicContact NE-OD2 2.67Å; R91-D281 PolarHBondContact NE-OD2 2.84Å; R91-D281 IonicContact NH2-OD1 2.85Å; R91-D281 IonicContact NH2-OD2 3.96Å; R91-D281 PolarHBondContact NH2-OD2 2.82Å; R91-E301 VanDerWaalsContact CD-OE1 3.26Å; R91-E301 WeakPolarHBondContact CD-OE1 3.48Å; R91-E301 WeakPolarHBondContact CG-OE1 3.5Å; R91-E301 IonicContact CZ-OE1 3.77Å; R91-E301 IonicContact NE-OE1 3.54Å; R91-E301 IonicContact NH1-OE1 2.95Å; R91-E301 PolarHBondContact NH1-OE1 2.83Å; R91-E301 IonicContact NH1-OE2 3.79Å
92H97.1Very high94Very high6 Ų633.2 Ų33.23%0.02818%0.183CC..  trans-114.3147.2168.8-67-177000108.6P86 M94 S238 W302P86-H92 HydrophobicContact CB-CB 3.79Å; P86-H92 PolarHBondContact O-N 3.26Å; H92-M94 VanDerWaalsContact C-N 3.33Å; H92-M94 WeakPolarHBondContact CB-O 3.48Å; H92-S238 WeakPolarHBondContact ND1-CB 3.46Å; H92-W302 PolarHBondContact NE2-N 2.77Å
93K96.4Very high93.5Very high91 Ų9131.9 Ų31.940%0.39618%0.178SC..SBendtrans-74.3-30.7174.1-65.8171.3176.5175.20111.4L87 P236 D305 E307L87-K93 WeakPolarHBondContact CD2-O 3.49Å; K93-P236 HydrophobicContact CB-CB 4.29Å; K93-P236 HydrophobicContact CB-CG 4.34Å; K93-P236 HydrophobicContact CD-CB 4.13Å; K93-D305 VanDerWaalsContact CB-OD2 3.31Å; K93-D305 WeakPolarHBondContact CB-OD2 3.41Å; K93-D305 HydrophobicContact CD-CB 4.49Å; K93-D305 HydrophobicContact CG-CB 4.36Å; K93-D305 PolarHBondContact N-OD2 3.3Å; K93-D305 PolarHBondContact NZ-O 2.84Å; K93-E307 IonicContact NZ-OE1 3.95Å; K93-E307 PolarHBondContact NZ-OE1 2.98Å
94M97Very high93.3Very high9 Ų930.9 Ų30.94%0.04417%0.173CC..  trans-146.7162-173.5-58.6-174.817600111.4A64 C65 D66 H92 W159 W161 P236 S238 A239A64-M94 HydrophobicContact CB-CB 3.99Å; A64-M94 HydrophobicContact CB-SD 4.38Å; C65-M94 CarbonylContact O-C 3.55Å; C65-M94 VanDerWaalsContact O-CA 3.27Å; C65-M94 WeakPolarHBondContact O-CA 3.46Å; D66-M94 HydrophobicContact CB-CE 3.93Å; D66-M94 HydrophobicContact CB-CG 3.78Å; D66-M94 HydrophobicContact CB-SD 4.34Å; H92-M94 VanDerWaalsContact C-N 3.33Å; H92-M94 WeakPolarHBondContact CB-O 3.48Å; M94-W159 HydrophobicContact CE-CG 4.01Å; M94-W161 HydrophobicContact CE-CH2 4.12Å; M94-W161 HydrophobicContact CE-CZ2 4.38Å; M94-W161 HydrophobicContact SD-CH2 3.43Å; M94-W161 WeakPolarHBondContact SD-CH2 3.37Å; M94-W161 HydrophobicContact SD-CZ2 4.17Å; M94-W161 HydrophobicContact SD-CZ3 4.37Å; M94-P236 HydrophobicContact CB-CG 3.98Å; M94-P236 HydrophobicContact CE-CG 4.42Å; M94-P236 HydrophobicContact CG-CG 3.74Å; M94-P236 HydrophobicContact SD-CG 3.53Å; M94-P236 VanDerWaalsContact SD-CG 3.53Å; M94-S238 PolarHBondContact N-OG 2.86Å; M94-S238 WeakPolarHBondContact O-CB 3.25Å; M94-S238 PolarHBondContact O-OG 3.25Å; M94-A239 HydrophobicContact CB-CB 4.49Å
95V97.8Very high93.1Very high0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-123.4124.8171.3178.10000108A64 C65 F84 P86 L87 P243 A248A64-V95 CarbonylContact C-O 3.56Å; A64-V95 WeakPolarHBondContact CA-O 3.41Å; A64-V95 WeakPolarHBondContact CB-O 3.31Å; C65-V95 PolarHBondContact N-O 2.94Å; C65-V95 PolarHBondContact O-N 3.44Å; F84-V95 HydrophobicContact CB-CG2 4.27Å; F84-V95 HydrophobicContact CD2-CB 4.04Å; F84-V95 HydrophobicContact CD2-CG1 4.28Å; F84-V95 HydrophobicContact CD2-CG2 4.03Å; P86-V95 HydrophobicContact CB-CG2 3.89Å; P86-V95 HydrophobicContact CG-CG2 4.17Å; L87-V95 HydrophobicContact CD1-CG2 4.4Å; L87-V95 HydrophobicContact CD2-CG2 4.07Å; L87-V95 HydrophobicContact CG-CG2 3.84Å; V95-P243 WeakPolarHBondContact CG1-O 2.99Å; V95-A248 HydrophobicContact CG1-CB 4.02Å
96N97Very high92.9Very high0 Ų032.2 Ų32.20%018%0.179CC..EExtended strand (participates in β ladder)trans-58.2148.6178.3175.8-89.9000111.3S98 Y103 P104 A239 H244 C245N96-S98 WeakPolarHBondContact OD1-CB 3.38Å; N96-S98 PolarHBondContact OD1-N 3.24Å; N96-S98 PolarHBondContact OD1-OG 3.41Å; N96-Y103 HydrophobicContact CB-CD1 4.28Å; N96-Y103 HydrophobicContact CB-CE1 4.18Å; N96-Y103 WeakPolarHBondContact OD1-CD1 3.4Å; N96-Y103 WeakPolarHBondContact OD1-CE1 3.44Å; N96-P104 PolarHBondContact ND2-O 3.29Å; N96-A239 PolarHBondContact ND2-O 2.8Å; N96-H244 CarbonylContact O-C 3.33Å; N96-H244 WeakPolarHBondContact O-CA 3.36Å; N96-H244 WeakPolarHBondContact O-CB 3.45Å; N96-C245 PolarHBondContact O-N 3.05Å; N96-C245 PolarHBondContact O-SG 2.94Å; N96-C245 VanDerWaalsContact O-SG 3.37Å
97D96.1Very high92.5Very high17 Ų1733.8 Ų33.89%0.09119%0.187CC..  trans-119.934.4-177.7-157.934.4000113.2Q63 Y106 F158 C245Q63-D97 HydrophobicContact CB-CB 4.18Å; Q63-D97 HydrophobicContact CG-CB 3.97Å; Q63-D97 PolarHBondContact NE2-OD2 2.88Å; Q63-D97 PolarHBondContact O-N 3.26Å; D97-Y106 VanDerWaalsContact O-CD2 3.23Å; D97-Y106 WeakPolarHBondContact O-CD2 3.17Å; D97-Y106 WeakPolarHBondContact O-CE2 3.37Å; D97-F158 HydrophobicContact CB-CE1 4.41Å; D97-F158 WeakPolarHBondContact OD2-CE1 3.43Å; D97-C245 WeakPolarHBondContact OD1-CB 3.08Å; D97-C245 PolarHBondContact OD1-SG 2.86Å
98S92.6Very high91.6Very high3 Ų335.6 Ų35.62%0.02120%0.196CC..SBendtrans-71.2169.6172.462.10000112.8N96 G100 Q102 F105N96-S98 WeakPolarHBondContact OD1-CB 3.38Å; N96-S98 PolarHBondContact OD1-N 3.24Å; N96-S98 PolarHBondContact OD1-OG 3.41Å; S98-G100 PolarHBondContact O-N 3.46Å; S98-G100 VanDerWaalsContact O-N 3.1Å; S98-G100 PolarHBondContact OG-N 3.34Å; S98-Q102 WeakPolarHBondContact CB-O 3.17Å; S98-Q102 PolarHBondContact OG-O 2.9Å; S98-F105 WeakPolarHBondContact CB-O 3.48Å
99D86.3Confident91Very high65 Ų6538.5 Ų38.535%0.34821%0.214SC..  trans-61.9-8.3168.565.716.9000114.7I101 Q102 Y106D99-I101 PolarHBondContact O-N 3.2Å; D99-I101 WeakPolarHBondContact OD1-CA 3.33Å; D99-I101 WeakPolarHBondContact OD1-CB 3.27Å; D99-I101 PolarHBondContact OD1-N 3.09Å; D99-Q102 PolarHBondContact OD1-N 2.91Å; D99-Y106 PolarHBondContact N-O 3.45Å; D99-Y106 VanDerWaalsContact N-O 3.16Å
100G84.2Confident90.9Very high28 Ų2841 Ų4129%0.28922%0.224SC..SBendtrans74.84.2-179.300000115.1S98 H244S98-G100 PolarHBondContact O-N 3.46Å; S98-G100 VanDerWaalsContact O-N 3.1Å; S98-G100 PolarHBondContact OG-N 3.34Å; G100-H244 VanDerWaalsContact CA-ND1 3.31Å; G100-H244 WeakPolarHBondContact CA-ND1 3.21Å
101I82.8Confident90.8Very high109 Ų10937.9 Ų37.956%0.55919%0.193SC*.SBendtrans-89.6-48.4172.9-57.4175.3000108.8D99 L108 Q179D99-I101 PolarHBondContact O-N 3.2Å; D99-I101 WeakPolarHBondContact OD1-CA 3.33Å; D99-I101 WeakPolarHBondContact OD1-CB 3.27Å; D99-I101 PolarHBondContact OD1-N 3.09Å; I101-L108 HydrophobicContact CG2-CD1 4.35Å; I101-Q179 PolarHBondContact O-OE1 2.72Å
102Q79.5Confident90.7Very high8 Ų835.4 Ų35.44%0.03718%0.184CC..SBendtrans-123.2141.3174.8169.9157.122.100111S98 D99 L108 K112 Q179S98-Q102 WeakPolarHBondContact CB-O 3.17Å; S98-Q102 PolarHBondContact OG-O 2.9Å; D99-Q102 PolarHBondContact OD1-N 2.91Å; Q102-L108 HydrophobicContact CB-CD2 3.55Å; Q102-L108 HydrophobicContact CB-CG 4.37Å; Q102-L108 HydrophobicContact CG-CD2 4.01Å; Q102-K112 VanDerWaalsContact OE1-NZ 3.1Å; Q102-Q179 HydrophobicContact CB-CB 4.07Å; Q102-Q179 HydrophobicContact CB-CG 4.35Å; Q102-Q179 HydrophobicContact CG-CB 4.01Å; Q102-Q179 HydrophobicContact CG-CG 4.43Å; Q102-Q179 WeakPolarHBondContact CG-O 3.48Å
103Y88.2Confident90.6Very high9 Ų938.4 Ų38.44%0.03520%0.196CC..SBendtrans-110.9147.3166.2-66.3-96.8000109.4N96 Q179 L180 L240 S241 P242 H244N96-Y103 HydrophobicContact CB-CD1 4.28Å; N96-Y103 HydrophobicContact CB-CE1 4.18Å; N96-Y103 WeakPolarHBondContact OD1-CD1 3.4Å; N96-Y103 WeakPolarHBondContact OD1-CE1 3.44Å; Y103-Q179 PolarHBondContact N-O 2.85Å; Y103-Q179 VanDerWaalsContact N-O 3.09Å; Y103-L180 HydrophobicContact CD2-CD2 3.66Å; Y103-L180 HydrophobicContact CG-CD2 4.17Å; Y103-L240 WeakPolarHBondContact CB-O 3.4Å; Y103-S241 WeakPolarHBondContact CE1-O 3.38Å; Y103-P242 HydrophobicContact CD1-CG 4.49Å; Y103-P242 HydrophobicContact CD2-CG 3.95Å; Y103-P242 HydrophobicContact CE1-CB 4.29Å; Y103-P242 HydrophobicContact CE1-CG 4.14Å; Y103-P242 VanDerWaalsContact CE1-N 3.32Å; Y103-P242 HydrophobicContact CE2-CB 4.23Å; Y103-P242 HydrophobicContact CE2-CG 3.56Å; Y103-P242 HydrophobicContact CG-CG 4.4Å; Y103-H244 HydrophobicContact CE1-CB 4.09Å; Y103-H244 WeakPolarHBondContact OH-CB 3.49Å; Y103-H244 PolarHBondContact OH-N 3.33Å; Y103-H244 PolarHBondContact OH-ND1 3.42Å
104P92.9Very high90.4Very high2 Ų237.1 Ų37.11%0.01319%0.193CC..SBendcis-96.8-5.72.639.5-40000114.5V62 N96 I163 I165 L240V62-P104 HydrophobicContact CB-CB 4.44Å; V62-P104 HydrophobicContact CG1-CB 3.96Å; V62-P104 HydrophobicContact CG2-CB 3.6Å; V62-P104 HydrophobicContact CG2-CG 3.46Å; V62-P104 VanDerWaalsContact CG2-CG 3.46Å; N96-P104 PolarHBondContact ND2-O 3.29Å; P104-I163 HydrophobicContact CG-CD1 4.03Å; P104-I165 HydrophobicContact CG-CD1 3.93Å; P104-L240 HydrophobicContact CB-CB 4.23Å; P104-L240 HydrophobicContact CB-CD2 3.32Å; P104-L240 HydrophobicContact CB-CG 4.36Å; P104-L240 HydrophobicContact CG-CD2 3.54Å
105F94.3Very high90.1Very high2 Ų237 Ų371%0.00919%0.192CC..SBendtrans-69.5147.7-167.4-56.2-66.5000112.8G60 L61 V62 S98 N107 K112 I163 I165G60-F105 VanDerWaalsContact CA-CD1 3.49Å; L61-F105 WeakPolarHBondContact O-CA 3.42Å; V62-F105 HydrophobicContact CG2-CD1 3.96Å; V62-F105 HydrophobicContact CG2-CE1 4.25Å; S98-F105 WeakPolarHBondContact CB-O 3.48Å; F105-N107 PolarHBondContact O-N 3.16Å; F105-K112 HydrophobicContact CB-CB 4.19Å; F105-K112 HydrophobicContact CB-CD 4.5Å; F105-K112 HydrophobicContact CB-CG 4.44Å; F105-K112 HydrophobicContact CD1-CG 4.36Å; F105-K112 HydrophobicContact CD2-CB 4.26Å; F105-K112 HydrophobicContact CD2-CD 3.42Å; F105-K112 VanDerWaalsContact CD2-CD 3.42Å; F105-K112 VanDerWaalsContact CD2-CE 3.5Å; F105-K112 HydrophobicContact CD2-CG 3.59Å; F105-K112 HydrophobicContact CE2-CD 3.83Å; F105-K112 VanDerWaalsContact CE2-CE 3.43Å; F105-K112 HydrophobicContact CE2-CG 3.84Å; F105-K112 HydrophobicContact CG-CB 4.07Å; F105-K112 HydrophobicContact CG-CD 4.07Å; F105-K112 HydrophobicContact CG-CG 3.86Å; F105-K112 HydrophobicContact CZ-CG 4.33Å; F105-I163 HydrophobicContact CE1-CD1 4.18Å; F105-I163 HydrophobicContact CE1-CG1 3.91Å; F105-I165 HydrophobicContact CE1-CD1 4.49Å; F105-I165 HydrophobicContact CE2-CD1 4.16Å; F105-I165 HydrophobicContact CZ-CD1 3.7Å; F105-I165 HydrophobicContact CZ-CG1 4.19Å
106Y93.9Very high89.7Confident36 Ų3641.6 Ų41.614%0.14122%0.217CC..SBendtrans-58.9-50.3-175.4-174.9-98.4000112.8L61 Q63 D97 D99 S111 Y129 D131L61-Y106 PolarHBondContact O-N 3.29Å; Q63-Y106 HydrophobicContact CB-CD2 3.9Å; D97-Y106 VanDerWaalsContact O-CD2 3.23Å; D97-Y106 WeakPolarHBondContact O-CD2 3.17Å; D97-Y106 WeakPolarHBondContact O-CE2 3.37Å; D99-Y106 PolarHBondContact N-O 3.45Å; D99-Y106 VanDerWaalsContact N-O 3.16Å; Y106-S111 PolarHBondContact N-OG 3.49Å; Y106-Y129 HydrophobicContact CD1-CD1 4.07Å; Y106-Y129 AromaticContact CD1-CD2 3.41Å; Y106-Y129 HydrophobicContact CD1-CD2 3.41Å; Y106-Y129 VanDerWaalsContact CD1-CD2 3.41Å; Y106-Y129 HydrophobicContact CD1-CE2 4.02Å; Y106-Y129 AromaticContact CD1-CG 3.44Å; Y106-Y129 HydrophobicContact CD1-CG 3.44Å; Y106-Y129 VanDerWaalsContact CD1-CG 3.44Å; Y106-Y129 HydrophobicContact CD2-CD2 4.29Å; Y106-Y129 HydrophobicContact CD2-CE2 4.07Å; Y106-Y129 AromaticContact CE1-CD2 3.28Å; Y106-Y129 HydrophobicContact CE1-CD2 3.28Å; Y106-Y129 AromaticContact CE1-CE2 3.96Å; Y106-Y129 HydrophobicContact CE1-CE2 3.96Å; Y106-Y129 AromaticContact CE1-CG 3.75Å; Y106-Y129 HydrophobicContact CE1-CG 3.75Å; Y106-Y129 HydrophobicContact CE2-CD2 4.17Å; Y106-Y129 AromaticContact CE2-CE2 3.99Å; Y106-Y129 HydrophobicContact CE2-CE2 3.99Å; Y106-Y129 HydrophobicContact CG-CD1 4.28Å; Y106-Y129 AromaticContact CG-CD2 3.92Å; Y106-Y129 HydrophobicContact CG-CD2 3.92Å; Y106-Y129 HydrophobicContact CG-CE1 4.41Å; Y106-Y129 HydrophobicContact CG-CE2 4.06Å; Y106-Y129 HydrophobicContact CG-CG 4.03Å; Y106-Y129 AromaticContact CZ-CD2 3.68Å; Y106-Y129 AromaticContact CZ-CE2 3.94Å; Y106-D131 WeakPolarHBondContact CE2-OD2 3.42Å; Y106-D131 WeakPolarHBondContact OH-CB 3.26Å; Y106-D131 PolarHBondContact OH-OD1 3.14Å; Y106-D131 PolarHBondContact OH-OD2 3.11Å
107N88.5Confident89.5Confident36 Ų3646.3 Ų46.319%0.19324%0.239CC..  trans-145.4160.8173.571.649.9000112.2F105 I109 N110 S111 Y129F105-N107 PolarHBondContact O-N 3.16Å; N107-I109 PolarHBondContact OD1-N 3.25Å; N107-N110 PolarHBondContact OD1-N 2.78Å; N107-S111 PolarHBondContact N-OG 2.98Å; N107-S111 PolarHBondContact O-OG 2.91Å; N107-S111 PolarHBondContact OD1-N 2.92Å; N107-Y129 WeakPolarHBondContact ND2-CB 3.38Å
108L79Confident89.3Confident70 Ų7047 Ų4737%0.36625%0.25SS..SBendtrans-78.8-22.7-178.1-66.6179.9000115.5I101 Q102I101-L108 HydrophobicContact CG2-CD1 4.35Å; Q102-L108 HydrophobicContact CB-CD2 3.55Å; Q102-L108 HydrophobicContact CB-CG 4.37Å; Q102-L108 HydrophobicContact CG-CD2 4.01Å
109I84.1Confident89.5Confident144 Ų14452.3 Ų52.374%0.73828%0.277SS*.SBendtrans-88-50.7-162.3-54.3178.9000110.6N107N107-I109 PolarHBondContact OD1-N 3.25Å
110N91.6Very high89.9Confident88 Ų8849.7 Ų49.747%0.47126%0.263SS..SBendtrans-123.8-17-170.3-65.3-30.4000112.8N107 L127 T128N107-N110 PolarHBondContact OD1-N 2.78Å; N110-L127 CarbonylContact O-C 3.55Å; N110-L127 WeakPolarHBondContact O-CA 3.48Å; N110-T128 CarbonylContact C-O 3.55Å; N110-T128 VanDerWaalsContact C-O 3.24Å; N110-T128 HydrophobicContact CB-CG2 4Å; N110-T128 WeakPolarHBondContact CB-O 3.04Å; N110-T128 PolarHBondContact O-N 2.8Å
111S93.1Very high90.5Very high0 Ų055.7 Ų55.70%028%0.282CS..SBendtrans-92.6-3.5-175.888.60000114.1G60 L61 Y106 N107G60-S111 CarbonylContact C-O 3.47Å; G60-S111 WeakPolarHBondContact CA-O 3.45Å; L61-S111 PolarHBondContact N-O 3.26Å; Y106-S111 PolarHBondContact N-OG 3.49Å; N107-S111 PolarHBondContact N-OG 2.98Å; N107-S111 PolarHBondContact O-OG 2.91Å; N107-S111 PolarHBondContact OD1-N 2.92Å
112K93.5Very high91.1Very high21 Ų2156 Ų569%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-137.4144.2-175.4-173.7-163.1-177.7-146.20110.9I59 Q102 F105 D114I59-K112 CarbonylContact O-C 3.56Å; I59-K112 WeakPolarHBondContact O-CA 3.34Å; Q102-K112 VanDerWaalsContact OE1-NZ 3.1Å; F105-K112 HydrophobicContact CB-CB 4.19Å; F105-K112 HydrophobicContact CB-CD 4.5Å; F105-K112 HydrophobicContact CB-CG 4.44Å; F105-K112 HydrophobicContact CD1-CG 4.36Å; F105-K112 HydrophobicContact CD2-CB 4.26Å; F105-K112 HydrophobicContact CD2-CD 3.42Å; F105-K112 VanDerWaalsContact CD2-CD 3.42Å; F105-K112 VanDerWaalsContact CD2-CE 3.5Å; F105-K112 HydrophobicContact CD2-CG 3.59Å; F105-K112 HydrophobicContact CE2-CD 3.83Å; F105-K112 VanDerWaalsContact CE2-CE 3.43Å; F105-K112 HydrophobicContact CE2-CG 3.84Å; F105-K112 HydrophobicContact CG-CB 4.07Å; F105-K112 HydrophobicContact CG-CD 4.07Å; F105-K112 HydrophobicContact CG-CG 3.86Å; F105-K112 HydrophobicContact CZ-CG 4.33Å; K112-D114 WeakPolarHBondContact CE-OD1 3.43Å; K112-D114 WeakPolarHBondContact CE-OD2 3.48Å; K112-D114 IonicContact NZ-OD1 3.05Å; K112-D114 PolarHBondContact NZ-OD1 2.87Å; K112-D114 IonicContact NZ-OD2 2.71Å; K112-D114 PolarHBondContact NZ-OD2 2.63Å
113Y93.5Very high91.9Very high69 Ų6958.4 Ų58.427%0.27130%0.296SS..EExtended strand (participates in β ladder)trans-131132.4171180-96.1000110.4I59 L115 Q123 I125I59-Y113 PolarHBondContact N-O 3.49Å; I59-Y113 PolarHBondContact O-N 3.16Å; Y113-L115 HydrophobicContact CD1-CD2 4.44Å; Y113-L115 HydrophobicContact CD1-CG 4.06Å; Y113-L115 HydrophobicContact CE1-CD1 4.47Å; Y113-L115 HydrophobicContact CE1-CD2 3.5Å; Y113-L115 HydrophobicContact CE1-CG 3.58Å; Y113-Q123 PolarHBondContact OH-NE2 2.81Å; Y113-Q123 VanDerWaalsContact OH-NE2 3.13Å; Y113-Q123 PolarHBondContact OH-OE1 3.33Å; Y113-I125 HydrophobicContact CD1-CD1 3.39Å; Y113-I125 HydrophobicContact CD1-CG1 4.14Å; Y113-I125 HydrophobicContact CD1-CG2 4.45Å; Y113-I125 HydrophobicContact CD2-CD1 4.25Å; Y113-I125 HydrophobicContact CD2-CG1 4.1Å; Y113-I125 HydrophobicContact CD2-CG2 4.04Å; Y113-I125 HydrophobicContact CE1-CD1 3.34Å; Y113-I125 HydrophobicContact CE1-CG1 4.12Å; Y113-I125 HydrophobicContact CE2-CD1 4.23Å; Y113-I125 HydrophobicContact CE2-CG1 4.11Å; Y113-I125 HydrophobicContact CG-CD1 3.87Å; Y113-I125 HydrophobicContact CG-CG1 4.13Å; Y113-I125 HydrophobicContact CG-CG2 3.84Å
114D92.1Very high92.4Very high64 Ų6463.4 Ų63.434%0.34232%0.322SS..EExtended strand (participates in β ladder)trans-107.7130.7-176.1-74.6-50.2000111Y56 S58 K112Y56-D114 HydrophobicContact CE2-CB 4.14Å; Y56-D114 WeakPolarHBondContact OH-CB 3.43Å; Y56-D114 PolarHBondContact OH-OD1 2.8Å; Y56-D114 PolarHBondContact OH-OD2 3.35Å; S58-D114 PolarHBondContact OG-OD1 3.1Å; S58-D114 VanDerWaalsContact OG-OD1 3.05Å; K112-D114 WeakPolarHBondContact CE-OD1 3.43Å; K112-D114 WeakPolarHBondContact CE-OD2 3.48Å; K112-D114 IonicContact NZ-OD1 3.05Å; K112-D114 PolarHBondContact NZ-OD1 2.87Å; K112-D114 IonicContact NZ-OD2 2.71Å; K112-D114 PolarHBondContact NZ-OD2 2.63Å
115L92Very high92.6Very high5 Ų563.9 Ų63.93%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-110.5110.8178.6-78.4165.8000110.1L4 I48 Y56 W57 I59 Y113 V120L4-L115 HydrophobicContact CD2-CD1 3.88Å; I48-L115 HydrophobicContact CD1-CD1 3.71Å; I48-L115 HydrophobicContact CD1-CD2 4.35Å; I48-L115 HydrophobicContact CD1-CG 4.45Å; Y56-L115 WeakPolarHBondContact CD2-O 3.28Å; W57-L115 HydrophobicContact CB-CB 4.02Å; W57-L115 HydrophobicContact CB-CD1 4.17Å; W57-L115 PolarHBondContact N-O 2.94Å; W57-L115 PolarHBondContact O-N 2.93Å; I59-L115 HydrophobicContact CD1-CD1 3.81Å; Y113-L115 HydrophobicContact CD1-CD2 4.44Å; Y113-L115 HydrophobicContact CD1-CG 4.06Å; Y113-L115 HydrophobicContact CE1-CD1 4.47Å; Y113-L115 HydrophobicContact CE1-CD2 3.5Å; Y113-L115 HydrophobicContact CE1-CG 3.58Å; L115-V120 HydrophobicContact CD2-CG1 3.89Å; L115-V120 HydrophobicContact CD2-CG2 4.04Å
116D89.7Confident92.7Very high98 Ų9867 Ų6752%0.52434%0.343SS..  trans-68.5157.8169.8-91.8-48.5000112.7K172D116-K172 IonicContact OD1-NZ 3.76Å; D116-K172 PolarHBondContact OD1-NZ 2.88Å
117Q90.8Very high92.9Very high98 Ų9865.4 Ų65.446%0.45834%0.337SS..SBendtrans-64.1139.9172.3-65.7171.6-52.800110.6A53 K54A53-Q117 CarbonylContact O-C 3.54Å; A53-Q117 VanDerWaalsContact O-CA 3.3Å; A53-Q117 WeakPolarHBondContact O-CA 3.48Å; K54-Q117 PolarHBondContact O-NE2 2.83Å
118G94Very high93.4Very high31 Ų3165.1 Ų65.132%0.3234%0.337SS..EExtended strand (participates in β ladder)trans131.1-156.6177.800000113.1I52 A53I52-G118 CarbonylContact C-O 3.56Å; I52-G118 WeakPolarHBondContact CA-O 3.34Å; A53-G118 PolarHBondContact N-O 3.26Å; A53-G118 PolarHBondContact O-N 2.91Å
119I95.6Very high94.2Very high116 Ų11662 Ų6260%0.59532%0.321SS*.EExtended strand (participates in β ladder)trans-77.9122.3178.5-60.3171.8000108.5M1M1-I119 HydrophobicContact CE-CG2 4.38Å; M1-I119 HydrophobicContact SD-CG2 4.15Å
120V95.6Very high94.7Very high9 Ų959 Ų596%0.05531%0.306CS..EExtended strand (participates in β ladder)trans-100.9121.3171.5-175.90000106.7I48 E50 C51 A53 L115I48-V120 HydrophobicContact CG2-CG1 3.86Å; E50-V120 VanDerWaalsContact CA-O 3.24Å; E50-V120 WeakPolarHBondContact CA-O 3.37Å; C51-V120 PolarHBondContact N-O 2.97Å; C51-V120 PolarHBondContact O-N 2.87Å; A53-V120 HydrophobicContact CB-CG2 3.89Å; L115-V120 HydrophobicContact CD2-CG1 3.89Å; L115-V120 HydrophobicContact CD2-CG2 4.04Å
121K95.3Very high94.8Very high155 Ų15555.2 Ų55.267%0.67429%0.286SS*.PPolyproline II helixtrans-83.7161.5175.3-66.3-176.1178.9-178.80110.5Q123K121-Q123 PolarHBondContact O-N 3.06Å
122D96.7Very high94.9Very high114 Ų11458.6 Ų58.661%0.6130%0.301SS*.SBendtrans-51.6122.6168.3-70-24.5000110.4I48 N49 E50I48-D122 WeakPolarHBondContact O-CA 3.14Å; N49-D122 VanDerWaalsContact CA-OD1 3.24Å; N49-D122 WeakPolarHBondContact CA-OD1 3.4Å; E50-D122 PolarHBondContact N-OD1 2.78Å
123Q96.7Very high95Very high59 Ų5958.4 Ų58.428%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-152.1156179.762.3-177.3-15.300112S47 I48 Y113 K121 I125S47-Q123 CarbonylContact C-O 3.51Å; S47-Q123 VanDerWaalsContact CA-O 3.3Å; S47-Q123 WeakPolarHBondContact CA-O 3.46Å; I48-Q123 HydrophobicContact CB-CG 4.24Å; I48-Q123 PolarHBondContact N-O 2.9Å; I48-Q123 PolarHBondContact O-N 3.31Å; I48-Q123 VanDerWaalsContact O-N 3.09Å; Y113-Q123 PolarHBondContact OH-NE2 2.81Å; Y113-Q123 VanDerWaalsContact OH-NE2 3.13Å; Y113-Q123 PolarHBondContact OH-OE1 3.33Å; K121-Q123 PolarHBondContact O-N 3.06Å; Q123-I125 HydrophobicContact CG-CD1 4.22Å; Q123-I125 HydrophobicContact CG-CG1 4.41Å
124I97.8Very high95.1Very high114 Ų11460.7 Ų60.759%0.58531%0.309SS*.EExtended strand (participates in β ladder)trans-109.7134.4169.8-61.6174.3000107.5L12 L46L12-I124 HydrophobicContact CD1-CD1 4.4Å; L12-I124 HydrophobicContact CD1-CG1 4.36Å; L12-I124 HydrophobicContact CD1-CG2 4.34Å; L46-I124 CarbonylContact O-C 3.59Å; L46-I124 WeakPolarHBondContact O-CA 3.36Å
125I96.3Very high95.3Very high13 Ų1359 Ų597%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-121.1134.7179.2-65.8150.3000107.4E45 L46 I48 Y113 Q123 L127E45-I125 WeakPolarHBondContact CA-O 3.23Å; L46-I125 HydrophobicContact CD1-CB 3.71Å; L46-I125 HydrophobicContact CD1-CD1 3.61Å; L46-I125 HydrophobicContact CD1-CG1 4.23Å; L46-I125 HydrophobicContact CD1-CG2 4.31Å; L46-I125 HydrophobicContact CG-CB 3.93Å; L46-I125 HydrophobicContact CG-CG2 4.31Å; L46-I125 PolarHBondContact N-O 2.82Å; L46-I125 PolarHBondContact O-N 2.91Å; I48-I125 HydrophobicContact CD1-CD1 3.38Å; I48-I125 HydrophobicContact CG1-CD1 3.88Å; Y113-I125 HydrophobicContact CD1-CD1 3.39Å; Y113-I125 HydrophobicContact CD1-CG1 4.14Å; Y113-I125 HydrophobicContact CD1-CG2 4.45Å; Y113-I125 HydrophobicContact CD2-CD1 4.25Å; Y113-I125 HydrophobicContact CD2-CG1 4.1Å; Y113-I125 HydrophobicContact CD2-CG2 4.04Å; Y113-I125 HydrophobicContact CE1-CD1 3.34Å; Y113-I125 HydrophobicContact CE1-CG1 4.12Å; Y113-I125 HydrophobicContact CE2-CD1 4.23Å; Y113-I125 HydrophobicContact CE2-CG1 4.11Å; Y113-I125 HydrophobicContact CG-CD1 3.87Å; Y113-I125 HydrophobicContact CG-CG1 4.13Å; Y113-I125 HydrophobicContact CG-CG2 3.84Å; Q123-I125 HydrophobicContact CG-CD1 4.22Å; Q123-I125 HydrophobicContact CG-CG1 4.41Å; I125-L127 HydrophobicContact CG2-CD2 3.98Å; I125-L127 HydrophobicContact CG2-CG 4.15Å
126T98Very high95.5Very high67 Ų6761.9 Ų61.941%0.41132%0.32SS..EExtended strand (participates in β ladder)trans-111.4123.4172.6-53.10000108.3Q43 V44 E45Q43-T126 HydrophobicContact CG-CG2 3.89Å; V44-T126 CarbonylContact O-C 3.57Å; V44-T126 WeakPolarHBondContact O-CA 3.29Å; E45-T126 HydrophobicContact CG-CG2 4.17Å
127L98.1Very high95.8Very high3 Ų357.5 Ų57.52%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-109.4134.1173.2-59175.4000108.8Q43 V44 L46 I59 L61 N110 I125 L162Q43-L127 CarbonylContact C-O 3.57Å; Q43-L127 WeakPolarHBondContact CA-O 3.27Å; V44-L127 HydrophobicContact CB-CB 4.49Å; V44-L127 PolarHBondContact N-O 3.39Å; V44-L127 PolarHBondContact O-N 3.5Å; L46-L127 HydrophobicContact CD2-CD1 3.83Å; L46-L127 HydrophobicContact CD2-CG 4.34Å; I59-L127 HydrophobicContact CG2-CD1 4.32Å; L61-L127 HydrophobicContact CD1-CB 4.05Å; L61-L127 HydrophobicContact CG-CB 4.42Å; N110-L127 CarbonylContact O-C 3.55Å; N110-L127 WeakPolarHBondContact O-CA 3.48Å; I125-L127 HydrophobicContact CG2-CD2 3.98Å; I125-L127 HydrophobicContact CG2-CG 4.15Å; L127-L162 HydrophobicContact CD1-CD1 3.78Å
128T97.1Very high95.9Very high30 Ų3054 Ų5418%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-153.4153-180-175.70000113H41 C42 N110H41-T128 PolarHBondContact CE1-OG1 3Å; H41-T128 VanDerWaalsContact CE1-OG1 3.25Å; C42-T128 CarbonylContact O-C 3.51Å; C42-T128 WeakPolarHBondContact O-CA 3.43Å; C42-T128 WeakPolarHBondContact O-CB 3.48Å; C42-T128 PolarHBondContact O-OG1 3.35Å; N110-T128 CarbonylContact C-O 3.55Å; N110-T128 VanDerWaalsContact C-O 3.24Å; N110-T128 HydrophobicContact CB-CG2 4Å; N110-T128 WeakPolarHBondContact CB-O 3.04Å; N110-T128 PolarHBondContact O-N 2.8Å
129Y96Very high95.9Very high5 Ų552.8 Ų52.82%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-154.2159.6161.868.2-87.2000110.6F40 C42 L61 Q63 Y106 N107 D131 V160F40-Y129 HydrophobicContact CD1-CE2 4.26Å; F40-Y129 HydrophobicContact CE1-CE2 4.05Å; C42-Y129 HydrophobicContact CB-CD1 4.19Å; C42-Y129 HydrophobicContact CB-CE1 3.76Å; C42-Y129 PolarHBondContact N-O 3.26Å; C42-Y129 PolarHBondContact O-N 3.03Å; L61-Y129 HydrophobicContact CB-CD1 4.26Å; L61-Y129 HydrophobicContact CB-CE1 3.89Å; L61-Y129 HydrophobicContact CD1-CD1 3.72Å; L61-Y129 HydrophobicContact CD1-CE1 3.78Å; L61-Y129 HydrophobicContact CG-CE1 4.39Å; Q63-Y129 PolarHBondContact OE1-OH 2.86Å; Y106-Y129 HydrophobicContact CD1-CD1 4.07Å; Y106-Y129 AromaticContact CD1-CD2 3.41Å; Y106-Y129 HydrophobicContact CD1-CD2 3.41Å; Y106-Y129 VanDerWaalsContact CD1-CD2 3.41Å; Y106-Y129 HydrophobicContact CD1-CE2 4.02Å; Y106-Y129 AromaticContact CD1-CG 3.44Å; Y106-Y129 HydrophobicContact CD1-CG 3.44Å; Y106-Y129 VanDerWaalsContact CD1-CG 3.44Å; Y106-Y129 HydrophobicContact CD2-CD2 4.29Å; Y106-Y129 HydrophobicContact CD2-CE2 4.07Å; Y106-Y129 AromaticContact CE1-CD2 3.28Å; Y106-Y129 HydrophobicContact CE1-CD2 3.28Å; Y106-Y129 AromaticContact CE1-CE2 3.96Å; Y106-Y129 HydrophobicContact CE1-CE2 3.96Å; Y106-Y129 AromaticContact CE1-CG 3.75Å; Y106-Y129 HydrophobicContact CE1-CG 3.75Å; Y106-Y129 HydrophobicContact CE2-CD2 4.17Å; Y106-Y129 AromaticContact CE2-CE2 3.99Å; Y106-Y129 HydrophobicContact CE2-CE2 3.99Å; Y106-Y129 HydrophobicContact CG-CD1 4.28Å; Y106-Y129 AromaticContact CG-CD2 3.92Å; Y106-Y129 HydrophobicContact CG-CD2 3.92Å; Y106-Y129 HydrophobicContact CG-CE1 4.41Å; Y106-Y129 HydrophobicContact CG-CE2 4.06Å; Y106-Y129 HydrophobicContact CG-CG 4.03Å; Y106-Y129 AromaticContact CZ-CD2 3.68Å; Y106-Y129 AromaticContact CZ-CE2 3.94Å; N107-Y129 WeakPolarHBondContact ND2-CB 3.38Å; Y129-D131 HydrophobicContact CD2-CB 4.42Å; Y129-D131 HydrophobicContact CE2-CB 4.2Å; Y129-V160 HydrophobicContact CE1-CG1 4.28Å; Y129-V160 WeakPolarHBondContact OH-CG1 3.44Å; Y129-V160 WeakPolarHBondContact OH-CG2 3.39Å
130D94.3Very high95.7Very high80 Ų8050.9 Ų50.943%0.42826%0.259SS..EExtended strand (participates in β ladder)trans-110.1137.8167.4-60.9-75000108.8F40 H41F40-D130 CarbonylContact O-C 3.56Å; F40-D130 WeakPolarHBondContact O-CA 3.2Å; H41-D130 IonicContact CE1-OD1 2.81Å; H41-D130 IonicContact CG-OD1 2.83Å; H41-D130 IonicContact ND1-OD1 3.53Å; H41-D130 PolarHBondContact ND1-OD1 2.87Å
131D95.5Very high95.2Very high9 Ų950.9 Ų50.95%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-116138.3171.2-157.3-35.2000109.9N39 F40 Q63 Y106 Y129 W196N39-D131 CarbonylContact C-O 3.54Å; N39-D131 WeakPolarHBondContact CA-O 3.43Å; F40-D131 HydrophobicContact CB-CB 4.37Å; F40-D131 HydrophobicContact CD1-CB 4.1Å; F40-D131 PolarHBondContact N-O 2.97Å; F40-D131 PolarHBondContact O-N 3.35Å; Q63-D131 PolarHBondContact NE2-OD2 2.68Å; Y106-D131 WeakPolarHBondContact CE2-OD2 3.42Å; Y106-D131 WeakPolarHBondContact OH-CB 3.26Å; Y106-D131 PolarHBondContact OH-OD1 3.14Å; Y106-D131 PolarHBondContact OH-OD2 3.11Å; Y129-D131 HydrophobicContact CD2-CB 4.42Å; Y129-D131 HydrophobicContact CE2-CB 4.2Å; D131-W196 HydrophobicContact CB-CZ2 4.48Å
132H94.8Very high94.1Very high71 Ų7146.1 Ų46.133%0.32924%0.243SC..  trans-155.7154.4169.464.1-77.4000109.6N39N39-H132 WeakPolarHBondContact OD1-CB 3.44Å
133F95.5Very high92.8Very high16 Ų1651.3 Ų51.37%0.0726%0.256CS..  trans-90.7127.1178.1-51.4-58.2000110.6Y35 K36 S37 P135 R154 F158 W196 Y198Y35-F133 HydrophobicContact CE2-CB 4.27Å; K36-F133 CarbonylContact C-O 3.59Å; K36-F133 WeakPolarHBondContact CA-O 3.38Å; S37-F133 PolarHBondContact N-O 2.97Å; S37-F133 WeakPolarHBondContact OG-CD2 3.33Å; S37-F133 PolarHBondContact OG-N 2.85Å; F133-P135 VanDerWaalsContact C-CD 3.43Å; F133-R154 VanDerWaalsContact CD2-NE 3.32Å; F133-R154 VanDerWaalsContact CE1-NH2 3.32Å; F133-R154 VanDerWaalsContact CG-NE 3.3Å; F133-F158 HydrophobicContact CE1-CE2 4.27Å; F133-F158 HydrophobicContact CE1-CZ 4.12Å; F133-F158 AromaticContact CZ-CE2 3.86Å; F133-F158 HydrophobicContact CZ-CE2 3.86Å; F133-F158 HydrophobicContact CZ-CZ 4.18Å; F133-W196 AromaticContact CZ-CH2 3.94Å; F133-W196 HydrophobicContact CZ-CH2 3.94Å; F133-W196 HydrophobicContact CZ-CZ3 4.29Å; F133-Y198 HydrophobicContact CD2-CD1 4.01Å; F133-Y198 AromaticContact CD2-CE1 3.95Å; F133-Y198 HydrophobicContact CD2-CE1 3.95Å; F133-Y198 HydrophobicContact CD2-CG 4.46Å; F133-Y198 AromaticContact CE2-CD1 3.48Å; F133-Y198 HydrophobicContact CE2-CD1 3.48Å; F133-Y198 VanDerWaalsContact CE2-CD1 3.48Å; F133-Y198 HydrophobicContact CE2-CD2 4.07Å; F133-Y198 AromaticContact CE2-CE1 3.87Å; F133-Y198 HydrophobicContact CE2-CE1 3.87Å; F133-Y198 HydrophobicContact CE2-CE2 4.41Å; F133-Y198 AromaticContact CE2-CG 3.58Å; F133-Y198 HydrophobicContact CE2-CG 3.58Å; F133-Y198 HydrophobicContact CZ-CG 4.43Å
134Y95.6Very high91.5Very high118 Ų11850.9 Ų50.946%0.46325%0.252SS..  trans-128.357.4176.6-164.9-117.1000113.6Y35 K36Y35-Y134 WeakPolarHBondContact O-CA 3.35Å; Y35-Y134 WeakPolarHBondContact O-CD2 3.26Å; K36-Y134 HydrophobicContact CB-CD2 3.68Å; K36-Y134 HydrophobicContact CB-CE2 3.99Å; K36-Y134 HydrophobicContact CG-CD2 3.97Å
135P96Very high90.3Very high29 Ų2948.8 Ų48.819%0.18826%0.259CS..  trans-81163.1-177.535.6-36.7000112.5K34 Y35 F133K34-P135 WeakPolarHBondContact CA-O 3.19Å; Y35-P135 HydrophobicContact CD1-CG 3.77Å; Y35-P135 HydrophobicContact CD2-CG 4.21Å; Y35-P135 HydrophobicContact CE1-CB 4.47Å; Y35-P135 HydrophobicContact CE1-CG 3.19Å; Y35-P135 HydrophobicContact CE2-CG 3.68Å; Y35-P135 HydrophobicContact CG-CG 4.25Å; Y35-P135 PolarHBondContact N-O 3.11Å; Y35-P135 WeakPolarHBondContact O-CD 3.32Å; Y35-P135 WeakPolarHBondContact OH-CG 3.18Å; F133-P135 VanDerWaalsContact C-CD 3.43Å
136T95.7Very high89.5Confident65 Ų6550.5 Ų50.540%0.39928%0.279SS..EExtended strand (participates in β ladder)trans-112.6129.3167.6-55.70000108.6L32 L33 K34L32-T136 HydrophobicContact CB-CG2 3.87Å; L32-T136 HydrophobicContact CD1-CG2 3.8Å; L32-T136 HydrophobicContact CD2-CG2 4.33Å; L32-T136 HydrophobicContact CG-CG2 4.2Å; L33-T136 CarbonylContact O-C 3.48Å; L33-T136 WeakPolarHBondContact O-CA 3.33Å; K34-T136 HydrophobicContact CG-CG2 4.13Å
137V95.9Very high88.7Confident5 Ų548 Ų483%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-121.3140.6-178-174.40000109L32 L33 Y35 N72 L149 I152L32-V137 CarbonylContact C-O 3.52Å; L32-V137 VanDerWaalsContact CA-O 3.23Å; L32-V137 WeakPolarHBondContact CA-O 3.38Å; L33-V137 HydrophobicContact CD1-CB 4.49Å; L33-V137 HydrophobicContact CD2-CB 4.12Å; L33-V137 HydrophobicContact CD2-CG1 4.49Å; L33-V137 HydrophobicContact CG-CB 4.03Å; L33-V137 PolarHBondContact N-O 2.96Å; L33-V137 PolarHBondContact O-N 3.38Å; Y35-V137 HydrophobicContact CE1-CG2 4.33Å; N72-V137 HydrophobicContact CB-CG1 4.12Å; V137-L149 HydrophobicContact CG1-CD1 4.1Å; V137-L149 HydrophobicContact CG1-CD2 3.98Å; V137-I152 HydrophobicContact CB-CD1 4.2Å; V137-I152 HydrophobicContact CG1-CD1 4.29Å; V137-I152 HydrophobicContact CG2-CD1 3.88Å
138A94.1Very high88.5Confident26 Ų2650 Ų5022%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-80.7140.9177.500000111L32 Y74 E140L32-A138 HydrophobicContact CD2-CB 3.91Å; Y74-A138 PolarHBondContact OH-O 2.81Å; A138-E140 VanDerWaalsContact C-N 3.31Å; A138-E140 WeakPolarHBondContact CB-O 3.43Å
139W93.6Very high88.4Confident4 Ų448.6 Ų48.62%0.01526%0.264CS..SBendtrans-68.5-36.2171.6-73.2125.6000112E28 M29 N31 L32 L33 Q148 L149 F204 I210 R213E28-W139 HydrophobicContact CB-CZ2 3.94Å; E28-W139 HydrophobicContact CG-CH2 4.25Å; E28-W139 HydrophobicContact CG-CZ2 3.74Å; M29-W139 PolarHBondContact O-NE1 3.03Å; N31-W139 VanDerWaalsContact C-CD1 3.4Å; N31-W139 PolarHBondContact O-N 3.46Å; L32-W139 PolarHBondContact O-NE1 3.22Å; L32-W139 VanDerWaalsContact O-NE1 3.13Å; L33-W139 HydrophobicContact CB-CH2 4.06Å; L33-W139 HydrophobicContact CB-CZ2 3.62Å; L33-W139 HydrophobicContact CD2-CD2 4.24Å; L33-W139 HydrophobicContact CD2-CE3 3.94Å; L33-W139 HydrophobicContact CD2-CH2 3.66Å; L33-W139 HydrophobicContact CD2-CZ2 3.99Å; L33-W139 HydrophobicContact CD2-CZ3 3.63Å; L33-W139 HydrophobicContact CG-CH2 4.48Å; L33-W139 HydrophobicContact CG-CZ2 4.45Å; W139-Q148 CarbonylContact O-C 3.57Å; W139-Q148 VanDerWaalsContact O-CA 3.28Å; W139-Q148 WeakPolarHBondContact O-CA 3.47Å; W139-L149 HydrophobicContact CE3-CB 4.07Å; W139-L149 HydrophobicContact CE3-CD2 4.05Å; W139-L149 HydrophobicContact CZ3-CD2 4.02Å; W139-L149 PolarHBondContact O-N 2.83Å; W139-F204 AromaticContact CH2-CD1 3.55Å; W139-F204 HydrophobicContact CH2-CD1 3.55Å; W139-F204 AromaticContact CH2-CE1 3.64Å; W139-F204 HydrophobicContact CH2-CE1 3.64Å; W139-F204 HydrophobicContact CH2-CG 4.16Å; W139-F204 HydrophobicContact CH2-CZ 4.31Å; W139-F204 HydrophobicContact CZ3-CB 4.22Å; W139-F204 AromaticContact CZ3-CD1 3.69Å; W139-F204 HydrophobicContact CZ3-CD1 3.69Å; W139-F204 HydrophobicContact CZ3-CD2 4.27Å; W139-F204 HydrophobicContact CZ3-CE1 4.06Å; W139-F204 AromaticContact CZ3-CG 3.8Å; W139-F204 HydrophobicContact CZ3-CG 3.8Å; W139-F204 HydrophobicContact CZ3-CZ 4.48Å; W139-I210 HydrophobicContact CD2-CD1 4.35Å; W139-I210 HydrophobicContact CG-CD1 4.26Å; W139-I210 HydrophobicContact CZ2-CD1 4.34Å; W139-I210 VanDerWaalsContact NE1-CD1 3.3Å; W139-R213 HydrophobicContact CH2-CB 4.04Å; W139-R213 HydrophobicContact CZ3-CB 4.37Å
140E92.1Very high88.5Confident77 Ų7749.6 Ų49.636%0.3627%0.271SS..BIsolated β-bridgetrans-125.9144.5180-69.8-174.8-163.500110.1A138 G146 I147 Q148A138-E140 VanDerWaalsContact C-N 3.31Å; A138-E140 WeakPolarHBondContact CB-O 3.43Å; E140-G146 PolarHBondContact OE2-N 3.26Å; E140-I147 VanDerWaalsContact CA-O 3.32Å; E140-I147 WeakPolarHBondContact CA-O 3.5Å; E140-Q148 HydrophobicContact CG-CG 3.61Å; E140-Q148 PolarHBondContact OE1-NE2 3.18Å
141L84.8Confident88.7Confident8 Ų847.6 Ų47.64%0.04226%0.26CS..  trans-65.8138.9177.1-70.9169.5000110.9Y74 T80 Y143 Y144 I147 W253 I265Y74-L141 HydrophobicContact CD1-CD1 4.42Å; Y74-L141 HydrophobicContact CD1-CD2 4.36Å; Y74-L141 HydrophobicContact CD1-CG 3.88Å; Y74-L141 HydrophobicContact CD2-CD1 4.42Å; Y74-L141 HydrophobicContact CD2-CD2 4.1Å; Y74-L141 HydrophobicContact CD2-CG 4.27Å; Y74-L141 HydrophobicContact CE1-CD2 3.93Å; Y74-L141 HydrophobicContact CE1-CG 3.8Å; Y74-L141 HydrophobicContact CE2-CD2 3.63Å; Y74-L141 HydrophobicContact CE2-CG 4.18Å; Y74-L141 HydrophobicContact CG-CD1 4.27Å; Y74-L141 HydrophobicContact CG-CD2 4.46Å; Y74-L141 HydrophobicContact CG-CG 4.13Å; T80-L141 HydrophobicContact CG2-CD2 3.44Å; T80-L141 VanDerWaalsContact CG2-CD2 3.44Å; L141-Y143 PolarHBondContact O-N 3.47Å; L141-Y144 HydrophobicContact CB-CD2 4.15Å; L141-Y144 HydrophobicContact CD1-CD2 4.35Å; L141-Y144 PolarHBondContact O-N 3.13Å; L141-I147 HydrophobicContact CD1-CB 4.29Å; L141-I147 HydrophobicContact CD1-CD1 4.49Å; L141-I147 HydrophobicContact CD1-CG2 3.69Å; L141-I147 HydrophobicContact CG-CG2 4.33Å; L141-W253 HydrophobicContact CD1-CD2 3.73Å; L141-W253 HydrophobicContact CD1-CE3 3.52Å; L141-W253 HydrophobicContact CD1-CH2 3.31Å; L141-W253 HydrophobicContact CD1-CZ2 3.54Å; L141-W253 HydrophobicContact CD1-CZ3 3.3Å; L141-W253 HydrophobicContact CD2-CD2 4.36Å; L141-W253 HydrophobicContact CD2-CE3 3.8Å; L141-W253 HydrophobicContact CD2-CZ3 4.08Å; L141-W253 HydrophobicContact CG-CE3 4.31Å; L141-W253 HydrophobicContact CG-CZ3 4.24Å; L141-I265 HydrophobicContact CD2-CD1 4.24Å
142P70.6Confident88.8Confident55 Ų5547.3 Ų47.336%0.35726%0.258SS..THydrogen-bonded Turntrans-53.4128.9165.6-22.933.8000109.2Y144 I265P142-Y144 VanDerWaalsContact C-N 3.27Å; P142-Y144 WeakPolarHBondContact O-CD2 3.39Å; P142-Y144 PolarHBondContact O-N 3.4Å; P142-I265 HydrophobicContact CG-CG2 4.27Å
143Y70.1Confident89Confident224 Ų22445.4 Ų45.488%0.87825%0.25SS*.THydrogen-bonded Turntrans74.2-3.1175.3-35.9-70.8000117.2L141L141-Y143 PolarHBondContact O-N 3.47Å
144Y69.1Low89.2Confident50 Ų5045.8 Ų45.820%0.19625%0.251CS..  trans-121.580.2174.2-59.4-96.7000109.7L141 P142 I147 W253 K263L141-Y144 HydrophobicContact CB-CD2 4.15Å; L141-Y144 HydrophobicContact CD1-CD2 4.35Å; L141-Y144 PolarHBondContact O-N 3.13Å; P142-Y144 VanDerWaalsContact C-N 3.27Å; P142-Y144 WeakPolarHBondContact O-CD2 3.39Å; P142-Y144 PolarHBondContact O-N 3.4Å; Y144-I147 VanDerWaalsContact CB-CD1 3.47Å; Y144-I147 HydrophobicContact CD1-CD1 4.01Å; Y144-I147 HydrophobicContact CG-CD1 4.04Å; Y144-I147 PolarHBondContact O-N 2.94Å; Y144-W253 AromaticContact CE2-CD1 3.99Å; Y144-W253 AromaticContact CE2-NE1 3.94Å; Y144-W253 AromaticContact CZ-NE1 3.82Å; Y144-K263 HydrophobicContact CE2-CD 4.43Å; Y144-K263 WeakPolarHBondContact OH-CD 3.39Å; Y144-K263 VanDerWaalsContact OH-CE 3.24Å; Y144-K263 WeakPolarHBondContact OH-CE 3.49Å; Y144-K263 PolarHBondContact OH-NZ 3.04Å
145G72.9Confident89.3Confident70 Ų7045.4 Ų45.472%0.72225%0.252SS*.THydrogen-bonded Turntrans-57.4141.2-179.800000112I147G145-I147 PolarHBondContact O-N 3.31Å
146G79Confident89.3Confident48 Ų4844.3 Ų44.350%0.49525%0.245SC..THydrogen-bonded Turntrans79.2-5.6177.300000115.5E140 Q148E140-G146 PolarHBondContact OE2-N 3.26Å; G146-Q148 PolarHBondContact O-N 3.15Å
147I82.7Confident89.4Confident16 Ų1641.7 Ų41.78%0.08223%0.228CC..  trans-84.7105172.2-60-174.6000108.3Y74 Y77 E140 L141 Y144 G145Y74-I147 HydrophobicContact CD1-CG2 4.09Å; Y74-I147 HydrophobicContact CG-CG2 4.02Å; Y77-I147 HydrophobicContact CD1-CD1 3.77Å; Y77-I147 HydrophobicContact CD1-CG1 3.91Å; Y77-I147 HydrophobicContact CD2-CB 4.29Å; Y77-I147 HydrophobicContact CD2-CG1 4.02Å; Y77-I147 HydrophobicContact CD2-CG2 3.83Å; Y77-I147 HydrophobicContact CE1-CD1 4.49Å; Y77-I147 HydrophobicContact CE1-CG1 4.27Å; Y77-I147 HydrophobicContact CE2-CG1 4.38Å; Y77-I147 HydrophobicContact CG-CB 4.36Å; Y77-I147 HydrophobicContact CG-CD1 3.79Å; Y77-I147 HydrophobicContact CG-CG1 3.78Å; Y77-I147 HydrophobicContact CG-CG2 3.87Å; E140-I147 VanDerWaalsContact CA-O 3.32Å; E140-I147 WeakPolarHBondContact CA-O 3.5Å; L141-I147 HydrophobicContact CD1-CB 4.29Å; L141-I147 HydrophobicContact CD1-CD1 4.49Å; L141-I147 HydrophobicContact CD1-CG2 3.69Å; L141-I147 HydrophobicContact CG-CG2 4.33Å; Y144-I147 VanDerWaalsContact CB-CD1 3.47Å; Y144-I147 HydrophobicContact CD1-CD1 4.01Å; Y144-I147 HydrophobicContact CG-CD1 4.04Å; Y144-I147 PolarHBondContact O-N 2.94Å; G145-I147 PolarHBondContact O-N 3.31Å
148Q92.1Very high89.5Confident44 Ų4441.5 Ų41.521%0.20623%0.227CC..BIsolated β-bridgetrans-106.9144.2-170.9-73.5-179.6-21.600113Y74 W139 E140 G146 T150 P206Y74-Q148 VanDerWaalsContact CA-O 3.29Å; Y74-Q148 WeakPolarHBondContact CA-O 3.27Å; W139-Q148 CarbonylContact O-C 3.57Å; W139-Q148 VanDerWaalsContact O-CA 3.28Å; W139-Q148 WeakPolarHBondContact O-CA 3.47Å; E140-Q148 HydrophobicContact CG-CG 3.61Å; E140-Q148 PolarHBondContact OE1-NE2 3.18Å; G146-Q148 PolarHBondContact O-N 3.15Å; Q148-T150 PolarHBondContact O-N 3.11Å; Q148-P206 HydrophobicContact CB-CB 3.56Å; Q148-P206 HydrophobicContact CG-CB 4.45Å; Q148-P206 VanDerWaalsContact OE1-CB 3.32Å; Q148-P206 PolarHBondContact OE1-O 2.9Å; Q148-P206 VanDerWaalsContact OE1-O 3.14Å
149L96.6Very high89.7Confident1 Ų141.2 Ų41.21%0.00522%0.22CC..  trans-61.2131.3177.4-175.579000110.7L33 N72 C73 Y74 V137 W139 D151 I152 F204L33-L149 HydrophobicContact CD2-CD2 3.2Å; N72-L149 HydrophobicContact CB-CD1 3.59Å; C73-L149 WeakPolarHBondContact O-CA 3.17Å; C73-L149 WeakPolarHBondContact O-CD1 3.43Å; Y74-L149 HydrophobicContact CD1-CB 4.22Å; Y74-L149 HydrophobicContact CE1-CB 4.03Å; Y74-L149 HydrophobicContact CE1-CD1 4.19Å; Y74-L149 HydrophobicContact CE2-CD1 4.2Å; V137-L149 HydrophobicContact CG1-CD1 4.1Å; V137-L149 HydrophobicContact CG1-CD2 3.98Å; W139-L149 HydrophobicContact CE3-CB 4.07Å; W139-L149 HydrophobicContact CE3-CD2 4.05Å; W139-L149 HydrophobicContact CZ3-CD2 4.02Å; W139-L149 PolarHBondContact O-N 2.83Å; L149-D151 WeakPolarHBondContact CD1-O 3.49Å; L149-I152 HydrophobicContact CD1-CG1 4.34Å; L149-I152 HydrophobicContact CD2-CD1 4.09Å; L149-I152 HydrophobicContact CD2-CG1 4.06Å; L149-F204 HydrophobicContact CD2-CD2 3.93Å; L149-F204 HydrophobicContact CD2-CE2 3.87Å; L149-F204 HydrophobicContact CG-CD2 4.31Å
150T97.5Very high89.9Confident25 Ų2541 Ų4115%0.15322%0.22CC..  trans-114.7-33.7175.958.40000111.9C73 G75 Q148 T203 F204 P206C73-T150 PolarHBondContact O-N 2.72Å; C73-T150 PolarHBondContact O-OG1 2.83Å; G75-T150 PolarHBondContact N-OG1 2.84Å; Q148-T150 PolarHBondContact O-N 3.11Å; T150-T203 CarbonylContact O-C 3.58Å; T150-T203 WeakPolarHBondContact O-CA 3.45Å; T150-F204 PolarHBondContact O-N 2.98Å; T150-P206 HydrophobicContact CG2-CG 4.2Å
151D98.6Very high90.1Very high39 Ų3937.3 Ų37.321%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-144.8148.5-173.7-53.4-104.2000111.7N72 C73 L149 I153 H201 I202 T203N72-D151 CarbonylContact C-O 3.53Å; N72-D151 WeakPolarHBondContact CA-O 3.37Å; C73-D151 HydrophobicContact CB-CB 3.83Å; C73-D151 PolarHBondContact N-O 3.42Å; C73-D151 PolarHBondContact O-N 2.82Å; L149-D151 WeakPolarHBondContact CD1-O 3.49Å; D151-I153 HydrophobicContact CB-CG1 4.48Å; D151-H201 IonicContact OD1-CD2 3.94Å; D151-H201 IonicContact OD1-CE1 3.7Å; D151-H201 IonicContact OD1-NE2 2.97Å; D151-H201 PolarHBondContact OD1-NE2 2.95Å; D151-I202 CarbonylContact C-O 3.56Å; D151-I202 VanDerWaalsContact CA-O 3.25Å; D151-I202 WeakPolarHBondContact CA-O 3.47Å; D151-T203 WeakPolarHBondContact OD1-CG2 3.24Å
152I98.7Very high90.7Very high2 Ų237 Ų371%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-122121.5162.8-63.5172.1000106.7L33 Y35 E71 V137 L149 H201 I202 F204L33-I152 HydrophobicContact CD1-CD1 3.8Å; L33-I152 HydrophobicContact CD2-CD1 4.08Å; L33-I152 HydrophobicContact CG-CD1 4.45Å; Y35-I152 HydrophobicContact CD1-CD1 4.02Å; Y35-I152 HydrophobicContact CE1-CD1 3.92Å; Y35-I152 HydrophobicContact CE1-CG2 3.85Å; E71-I152 WeakPolarHBondContact O-CA 3.47Å; V137-I152 HydrophobicContact CB-CD1 4.2Å; V137-I152 HydrophobicContact CG1-CD1 4.29Å; V137-I152 HydrophobicContact CG2-CD1 3.88Å; L149-I152 HydrophobicContact CD1-CG1 4.34Å; L149-I152 HydrophobicContact CD2-CD1 4.09Å; L149-I152 HydrophobicContact CD2-CG1 4.06Å; I152-H201 CarbonylContact O-C 3.58Å; I152-H201 VanDerWaalsContact O-CA 3.29Å; I152-H201 WeakPolarHBondContact O-CA 3.36Å; I152-I202 HydrophobicContact CB-CB 4.3Å; I152-I202 HydrophobicContact CB-CD1 4.38Å; I152-I202 HydrophobicContact CD1-CD1 4.37Å; I152-I202 PolarHBondContact N-O 2.93Å; I152-I202 PolarHBondContact O-N 3.23Å; I152-F204 HydrophobicContact CD1-CE2 3.81Å; I152-F204 HydrophobicContact CD1-CZ 4.23Å; I152-F204 HydrophobicContact CG1-CE2 4.01Å
153I98.7Very high91.9Very high31 Ų3134.4 Ų34.416%0.15918%0.184CC..EExtended strand (participates in β ladder)trans-119.5120.6178-55.5168.3000107.6Y69 L70 E71 D151 L200Y69-I153 HydrophobicContact CD1-CG2 3.98Å; Y69-I153 HydrophobicContact CE1-CB 4.19Å; Y69-I153 HydrophobicContact CE1-CG2 3.8Å; L70-I153 CarbonylContact C-O 3.33Å; L70-I153 WeakPolarHBondContact CA-O 3.49Å; E71-I153 HydrophobicContact CB-CB 4.41Å; E71-I153 PolarHBondContact N-O 3.37Å; E71-I153 PolarHBondContact O-N 2.92Å; D151-I153 HydrophobicContact CB-CG1 4.48Å; I153-L200 WeakPolarHBondContact CA-O 3.31Å
154R98.2Very high93.1Very high24 Ų2423.8 Ų23.89%0.09114%0.142CC..EExtended strand (participates in β ladder)trans-125.1124.1177.1178.2177.5-149.1125.13.8109Y35 Y69 L70 F133 Q156 T199 L200Y35-R154 PolarHBondContact OH-NH1 3.45Å; Y69-R154 CarbonylContact O-C 3.56Å; Y69-R154 WeakPolarHBondContact O-CA 3.4Å; L70-R154 HydrophobicContact CG-CG 4.15Å; F133-R154 VanDerWaalsContact CD2-NE 3.32Å; F133-R154 VanDerWaalsContact CE1-NH2 3.32Å; F133-R154 VanDerWaalsContact CG-NE 3.3Å; R154-Q156 HydrophobicContact CG-CG 4.43Å; R154-T199 CarbonylContact O-C 3.59Å; R154-T199 WeakPolarHBondContact O-CA 3.26Å; R154-L200 HydrophobicContact CB-CB 4.25Å; R154-L200 PolarHBondContact N-O 3.47Å; R154-L200 PolarHBondContact O-N 3.43Å
155K98Very high94.3Very high110 Ų11021.4 Ų21.448%0.47813%0.133SC..EExtended strand (participates in β ladder)trans-133.7123.3169.2-53.6179.7180177.50108.2Y69 Y198 T199Y69-K155 PolarHBondContact N-O 2.76Å; Y69-K155 PolarHBondContact O-N 2.88Å; K155-Y198 CarbonylContact C-O 3.55Å; K155-Y198 VanDerWaalsContact CA-O 3.25Å; K155-Y198 WeakPolarHBondContact CA-O 3.29Å; K155-T199 HydrophobicContact CG-CG2 4.19Å
156Q97.1Very high95.3Very high7 Ų720.2 Ų20.23%0.03311%0.108CC..EExtended strand (participates in β ladder)trans-141.4148.1178-67.4-170.8-10100111Q67 L68 L70 R154 F158 Y197 Y198Q67-Q156 VanDerWaalsContact O-CA 3.32Å; Q67-Q156 WeakPolarHBondContact O-CA 3.33Å; L68-Q156 HydrophobicContact CD1-CG 3.94Å; L70-Q156 HydrophobicContact CD1-CG 3.69Å; R154-Q156 HydrophobicContact CG-CG 4.43Å; Q156-F158 HydrophobicContact CB-CD2 4.13Å; Q156-F158 HydrophobicContact CB-CE2 3.45Å; Q156-F158 VanDerWaalsContact CB-CE2 3.45Å; Q156-F158 HydrophobicContact CB-CZ 4.13Å; Q156-F158 HydrophobicContact CG-CE2 4.32Å; Q156-F158 VanDerWaalsContact NE2-CZ 3.28Å; Q156-Y197 WeakPolarHBondContact O-CA 3.36Å; Q156-Y198 PolarHBondContact N-O 3.14Å; Q156-Y198 PolarHBondContact O-N 2.85Å
157T97.6Very high95.9Very high10 Ų1018.3 Ų18.36%0.0619%0.086CC..EExtended strand (participates in β ladder)trans-121.7137.1172.2-53.30000108.6C65 D66 Q67 R195 Y197C65-T157 WeakPolarHBondContact CA-O 3.46Å; D66-T157 PolarHBondContact N-O 2.88Å; D66-T157 WeakPolarHBondContact OD1-CB 3.46Å; D66-T157 WeakPolarHBondContact OD1-CG2 3.33Å; D66-T157 VanDerWaalsContact OD1-O 3.11Å; Q67-T157 PolarHBondContact O-N 2.77Å; Q67-T157 PolarHBondContact OE1-OG1 3.48Å; Q67-T157 VanDerWaalsContact OE1-OG1 3.09Å; T157-R195 HydrophobicContact CG2-CG 4.26Å; T157-Y197 HydrophobicContact CG2-CD1 3.4Å; T157-Y197 HydrophobicContact CG2-CE1 3.44Å; T157-Y197 VanDerWaalsContact CG2-CE1 3.44Å; T157-Y197 HydrophobicContact CG2-CG 4.35Å; T157-Y197 WeakPolarHBondContact OG1-CD1 3.28Å
158F97.9Very high96Very high1 Ų118.4 Ų18.40%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-131147.3-178.7-67.1-91.2000110.8Q63 A64 C65 D97 F133 Q156 R195 W196Q63-F158 HydrophobicContact CG-CB 4.25Å; Q63-F158 HydrophobicContact CG-CD1 3.81Å; Q63-F158 HydrophobicContact CG-CG 4.4Å; A64-F158 WeakPolarHBondContact O-CA 3.49Å; C65-F158 HydrophobicContact CB-CD1 3.77Å; C65-F158 HydrophobicContact CB-CE1 3.58Å; C65-F158 HydrophobicContact CB-CZ 4.32Å; D97-F158 HydrophobicContact CB-CE1 4.41Å; D97-F158 WeakPolarHBondContact OD2-CE1 3.43Å; F133-F158 HydrophobicContact CE1-CE2 4.27Å; F133-F158 HydrophobicContact CE1-CZ 4.12Å; F133-F158 AromaticContact CZ-CE2 3.86Å; F133-F158 HydrophobicContact CZ-CE2 3.86Å; F133-F158 HydrophobicContact CZ-CZ 4.18Å; Q156-F158 HydrophobicContact CB-CD2 4.13Å; Q156-F158 HydrophobicContact CB-CE2 3.45Å; Q156-F158 VanDerWaalsContact CB-CE2 3.45Å; Q156-F158 HydrophobicContact CB-CZ 4.13Å; Q156-F158 HydrophobicContact CG-CE2 4.32Å; Q156-F158 VanDerWaalsContact NE2-CZ 3.28Å; F158-R195 WeakPolarHBondContact O-CA 3.19Å; F158-R195 WeakPolarHBondContact O-CG 3.36Å; F158-W196 HydrophobicContact CB-CD2 3.97Å; F158-W196 VanDerWaalsContact CB-CE2 3.4Å; F158-W196 HydrophobicContact CB-CG 4.19Å; F158-W196 HydrophobicContact CB-CZ2 3.8Å; F158-W196 VanDerWaalsContact CB-NE1 3.28Å; F158-W196 HydrophobicContact CD1-CZ2 4.17Å; F158-W196 HydrophobicContact CD2-CD2 4.04Å; F158-W196 AromaticContact CD2-CE2 3.63Å; F158-W196 HydrophobicContact CD2-CE3 4.1Å; F158-W196 AromaticContact CD2-CH2 3.39Å; F158-W196 HydrophobicContact CD2-CH2 3.39Å; F158-W196 AromaticContact CD2-CZ2 3.28Å; F158-W196 HydrophobicContact CD2-CZ2 3.28Å; F158-W196 AromaticContact CD2-CZ3 3.82Å; F158-W196 HydrophobicContact CD2-CZ3 3.82Å; F158-W196 AromaticContact CE2-CH2 3.51Å; F158-W196 HydrophobicContact CE2-CH2 3.51Å; F158-W196 AromaticContact CE2-CZ2 3.77Å; F158-W196 HydrophobicContact CE2-CZ2 3.77Å; F158-W196 HydrophobicContact CE2-CZ3 4.08Å; F158-W196 HydrophobicContact CG-CD2 4.37Å; F158-W196 AromaticContact CG-CE2 3.67Å; F158-W196 HydrophobicContact CG-CH2 4.11Å; F158-W196 AromaticContact CG-CZ2 3.5Å; F158-W196 HydrophobicContact CG-CZ2 3.5Å; F158-W196 HydrophobicContact CZ-CH2 4.29Å; F158-W196 HydrophobicContact CZ-CZ2 4.37Å; F158-W196 PolarHBondContact N-O 2.89Å; F158-W196 PolarHBondContact O-N 3.15Å
159W97.5Very high95.1Very high19 Ų1924.6 Ų24.67%0.07212%0.117CC..EExtended strand (participates in β ladder)trans-113.8138.8169-69.985.5000108.9Q63 A64 D66 M94 W161 T193 I194 R195 L228 K233Q63-W159 CarbonylContact C-O 3.46Å; Q63-W159 VanDerWaalsContact CA-O 3.29Å; Q63-W159 WeakPolarHBondContact CA-O 3.49Å; A64-W159 PolarHBondContact N-O 2.82Å; A64-W159 PolarHBondContact O-N 3.31Å; D66-W159 PolarHBondContact OD2-NE1 2.71Å; M94-W159 HydrophobicContact CE-CG 4.01Å; W159-W161 HydrophobicContact CB-CE3 4.3Å; W159-W161 HydrophobicContact CB-CH2 3.16Å; W159-W161 HydrophobicContact CB-CZ2 3.65Å; W159-W161 HydrophobicContact CB-CZ3 3.54Å; W159-W161 HydrophobicContact CD2-CZ2 4.47Å; W159-W161 AromaticContact CG-CH2 3.91Å; W159-W161 HydrophobicContact CG-CH2 3.91Å; W159-W161 HydrophobicContact CG-CZ2 4.13Å; W159-T193 HydrophobicContact CE3-CG2 3.53Å; W159-T193 HydrophobicContact CZ3-CG2 3.73Å; W159-I194 WeakPolarHBondContact CA-O 3.48Å; W159-R195 HydrophobicContact CD2-CB 4.34Å; W159-R195 HydrophobicContact CD2-CG 4.1Å; W159-R195 HydrophobicContact CE3-CB 4.08Å; W159-R195 HydrophobicContact CE3-CG 4.32Å; W159-R195 HydrophobicContact CH2-CB 4.41Å; W159-R195 HydrophobicContact CH2-CG 4.39Å; W159-R195 VanDerWaalsContact CZ2-CD 3.41Å; W159-R195 HydrophobicContact CZ2-CG 4.18Å; W159-R195 HydrophobicContact CZ3-CB 4.11Å; W159-R195 HydrophobicContact CZ3-CG 4.46Å; W159-L228 HydrophobicContact CH2-CD2 4.33Å; W159-L228 HydrophobicContact CZ3-CD1 4.38Å; W159-L228 HydrophobicContact CZ3-CD2 3.81Å; W159-K233 HydrophobicContact CD2-CD 4.1Å; W159-K233 HydrophobicContact CE3-CB 4.44Å; W159-K233 HydrophobicContact CE3-CD 3.94Å; W159-K233 HydrophobicContact CH2-CB 4.44Å; W159-K233 HydrophobicContact CH2-CD 3.46Å; W159-K233 VanDerWaalsContact CH2-CD 3.46Å; W159-K233 HydrophobicContact CZ2-CD 3.62Å; W159-K233 HydrophobicContact CZ3-CB 3.97Å; W159-K233 HydrophobicContact CZ3-CD 3.63Å; W159-K233 HydrophobicContact CZ3-CG 4.45Å
160V97.5Very high93.6Very high0 Ų031.2 Ų31.20%015%0.148CC..EExtended strand (participates in β ladder)trans-122.3125.5173.8-169.50000108.1L61 V62 Q63 Y129 T193 I194L61-V160 HydrophobicContact CB-CG1 4.31Å; L61-V160 HydrophobicContact CD2-CG1 4.15Å; V62-V160 CarbonylContact O-C 3.24Å; V62-V160 WeakPolarHBondContact O-CA 3.46Å; Q63-V160 HydrophobicContact CB-CG2 4.39Å; Q63-V160 HydrophobicContact CG-CG2 4.22Å; Y129-V160 HydrophobicContact CE1-CG1 4.28Å; Y129-V160 WeakPolarHBondContact OH-CG1 3.44Å; Y129-V160 WeakPolarHBondContact OH-CG2 3.39Å; V160-T193 CarbonylContact O-C 3.59Å; V160-T193 WeakPolarHBondContact O-CA 3.31Å; V160-I194 HydrophobicContact CB-CB 4.14Å; V160-I194 PolarHBondContact N-O 3.21Å; V160-I194 PolarHBondContact O-N 3.2Å
161W97Very high91.9Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-108.4130.7171.1-61.9-93.7000109.9L61 V62 A64 M94 W159 I163 N192 K233 L235 A239L61-W161 WeakPolarHBondContact CA-O 3.44Å; V62-W161 HydrophobicContact CG1-CE3 4.31Å; V62-W161 PolarHBondContact N-O 3.33Å; V62-W161 PolarHBondContact O-N 2.75Å; A64-W161 HydrophobicContact CB-CH2 4.5Å; A64-W161 HydrophobicContact CB-CZ3 3.96Å; M94-W161 HydrophobicContact CE-CH2 4.12Å; M94-W161 HydrophobicContact CE-CZ2 4.38Å; M94-W161 HydrophobicContact SD-CH2 3.43Å; M94-W161 WeakPolarHBondContact SD-CH2 3.37Å; M94-W161 HydrophobicContact SD-CZ2 4.17Å; M94-W161 HydrophobicContact SD-CZ3 4.37Å; W159-W161 HydrophobicContact CB-CE3 4.3Å; W159-W161 HydrophobicContact CB-CH2 3.16Å; W159-W161 HydrophobicContact CB-CZ2 3.65Å; W159-W161 HydrophobicContact CB-CZ3 3.54Å; W159-W161 HydrophobicContact CD2-CZ2 4.47Å; W159-W161 AromaticContact CG-CH2 3.91Å; W159-W161 HydrophobicContact CG-CH2 3.91Å; W159-W161 HydrophobicContact CG-CZ2 4.13Å; W161-I163 HydrophobicContact CB-CG2 3.56Å; W161-I163 HydrophobicContact CG-CG2 4.5Å; W161-N192 WeakPolarHBondContact CA-O 3.45Å; W161-K233 PolarHBondContact NE1-O 2.94Å; W161-L235 HydrophobicContact CD2-CB 3.94Å; W161-L235 HydrophobicContact CE3-CB 4.41Å; W161-L235 HydrophobicContact CG-CB 4.35Å; W161-L235 HydrophobicContact CZ2-CB 4.03Å; W161-A239 HydrophobicContact CH2-CB 4.38Å; W161-A239 HydrophobicContact CZ3-CB 4.08Å
162L96.9Very high89.8Confident2 Ų233.6 Ų33.61%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-83.2113.815717969.4000107.3V11 V44 I59 L61 L127 L191 N192V11-L162 HydrophobicContact CG1-CD2 4.36Å; V11-L162 HydrophobicContact CG2-CD2 3.6Å; V44-L162 HydrophobicContact CG1-CD1 4.12Å; V44-L162 HydrophobicContact CG1-CD2 3.62Å; V44-L162 HydrophobicContact CG1-CG 4.46Å; I59-L162 HydrophobicContact CG2-CD1 4.44Å; L61-L162 HydrophobicContact CD2-CB 4.11Å; L61-L162 HydrophobicContact CD2-CD1 3.94Å; L61-L162 HydrophobicContact CG-CD1 4.48Å; L127-L162 HydrophobicContact CD1-CD1 3.78Å; L162-L191 HydrophobicContact CB-CB 4.38Å; L162-L191 HydrophobicContact CD2-CB 3.8Å; L162-L191 HydrophobicContact CD2-CD1 4.14Å; L162-L191 HydrophobicContact CG-CB 3.92Å; L162-L191 HydrophobicContact CG-CD1 4.08Å; L162-L191 WeakPolarHBondContact O-CB 3.45Å; L162-L191 PolarHBondContact O-N 2.91Å; L162-N192 HydrophobicContact CB-CB 4.29Å; L162-N192 PolarHBondContact N-O 3.18Å; L162-N192 PolarHBondContact O-N 3.25Å
163I95.8Very high87.5Confident0 Ų042.2 Ų42.20%019%0.194CC..EExtended strand (participates in β ladder)trans-122.9153.8-178.865.9174.2000111.7I59 G60 V62 P104 F105 W161 I165 V188 Y189 L235 L240I59-I163 CarbonylContact C-O 3.53Å; I59-I163 WeakPolarHBondContact CA-O 3.41Å; G60-I163 PolarHBondContact N-O 2.83Å; G60-I163 PolarHBondContact O-N 2.83Å; V62-I163 HydrophobicContact CG2-CD1 3.45Å; V62-I163 VanDerWaalsContact CG2-CD1 3.45Å; V62-I163 HydrophobicContact CG2-CG1 3.93Å; P104-I163 HydrophobicContact CG-CD1 4.03Å; F105-I163 HydrophobicContact CE1-CD1 4.18Å; F105-I163 HydrophobicContact CE1-CG1 3.91Å; W161-I163 HydrophobicContact CB-CG2 3.56Å; W161-I163 HydrophobicContact CG-CG2 4.5Å; I163-I165 HydrophobicContact CD1-CD1 3.83Å; I163-I165 HydrophobicContact CD1-CG1 3.79Å; I163-I165 HydrophobicContact CG1-CG1 4.27Å; I163-V188 HydrophobicContact CB-CG1 4.07Å; I163-V188 HydrophobicContact CD1-CG1 3.94Å; I163-V188 HydrophobicContact CG2-CG1 4.13Å; I163-Y189 CarbonylContact C-O 3.51Å; I163-Y189 WeakPolarHBondContact CA-O 3.47Å; I163-Y189 WeakPolarHBondContact CB-O 3.4Å; I163-L235 HydrophobicContact CG2-CD1 4.35Å; I163-L240 HydrophobicContact CD1-CD2 4.14Å
164A95.5Very high85Confident0 Ų045.5 Ų45.50%021%0.212CC..EExtended strand (participates in β ladder)trans-112.7129.2161.300000108.4L6 I9 W57 S58 I59 Y189 L191L6-A164 HydrophobicContact CD2-CB 4.49Å; I9-A164 HydrophobicContact CD1-CB 4.1Å; W57-A164 HydrophobicContact CE3-CB 4.09Å; W57-A164 HydrophobicContact CZ3-CB 4.11Å; S58-A164 CarbonylContact O-C 3.6Å; S58-A164 WeakPolarHBondContact O-CA 3.36Å; I59-A164 HydrophobicContact CG1-CB 4.03Å; A164-Y189 PolarHBondContact N-O 3.22Å; A164-Y189 WeakPolarHBondContact O-CB 3.21Å; A164-Y189 PolarHBondContact O-N 3.37Å; A164-L191 HydrophobicContact CB-CD1 4.27Å
165I94.4Very high82.7Confident1 Ų149 Ų491%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-108.1119.6175.6-54.2-179.4000107.5W57 S58 P104 F105 I163 H167 F181 D186 E187 V188W57-I165 CarbonylContact C-O 3.57Å; W57-I165 WeakPolarHBondContact CA-O 3.31Å; S58-I165 PolarHBondContact N-O 3.38Å; S58-I165 PolarHBondContact O-N 2.75Å; P104-I165 HydrophobicContact CG-CD1 3.93Å; F105-I165 HydrophobicContact CE1-CD1 4.49Å; F105-I165 HydrophobicContact CE2-CD1 4.16Å; F105-I165 HydrophobicContact CZ-CD1 3.7Å; F105-I165 HydrophobicContact CZ-CG1 4.19Å; I163-I165 HydrophobicContact CD1-CD1 3.83Å; I163-I165 HydrophobicContact CD1-CG1 3.79Å; I163-I165 HydrophobicContact CG1-CG1 4.27Å; I165-H167 VanDerWaalsContact CG2-CE1 3.41Å; I165-H167 WeakPolarHBondContact CG2-CE1 3.49Å; I165-F181 HydrophobicContact CD1-CD2 4.34Å; I165-F181 HydrophobicContact CG2-CD2 4.33Å; I165-D186 HydrophobicContact CG2-CB 3.81Å; I165-E187 WeakPolarHBondContact CA-O 3.5Å; I165-V188 HydrophobicContact CG1-CG2 4.49Å
166K93.8Very high80.3Confident44 Ų4451 Ų5119%0.19126%0.256CS..EExtended strand (participates in β ladder)trans-89.7117.4167.5-176.6-176.5-176.7-171.40108.2E55 W57 D186 E187 Y189E55-K166 HydrophobicContact CB-CG 4.2Å; E55-K166 VanDerWaalsContact CD-NZ 3.34Å; E55-K166 VanDerWaalsContact OE1-CE 3.22Å; E55-K166 WeakPolarHBondContact OE1-CE 3.36Å; E55-K166 IonicContact OE1-NZ 3.59Å; E55-K166 PolarHBondContact OE1-NZ 2.57Å; E55-K166 WeakPolarHBondContact OE2-CE 3.35Å; E55-K166 IonicContact OE2-NZ 2.72Å; E55-K166 PolarHBondContact OE2-NZ 3.34Å; W57-K166 HydrophobicContact CD2-CB 3.84Å; W57-K166 HydrophobicContact CD2-CG 4.12Å; W57-K166 HydrophobicContact CE3-CB 3.84Å; W57-K166 HydrophobicContact CH2-CB 3.66Å; W57-K166 HydrophobicContact CH2-CD 4.05Å; W57-K166 HydrophobicContact CH2-CG 4.07Å; W57-K166 HydrophobicContact CZ2-CB 3.64Å; W57-K166 HydrophobicContact CZ2-CD 3.54Å; W57-K166 HydrophobicContact CZ2-CG 3.54Å; W57-K166 HydrophobicContact CZ3-CB 3.75Å; K166-D186 WeakPolarHBondContact O-CA 3.44Å; K166-E187 HydrophobicContact CB-CB 4.25Å; K166-E187 PolarHBondContact N-O 2.82Å; K166-E187 PolarHBondContact O-N 2.92Å; K166-Y189 HydrophobicContact CB-CE2 3.98Å
167H91.6Very high78Confident9 Ų955.6 Ų55.64%0.04228%0.28CS..PPolyproline II helixtrans-89.7142.8-175.2-63.7-82.7000113Y56 S58 I165 D186Y56-H167 HydrophobicContact CD1-CB 4.04Å; Y56-H167 AromaticContact CD1-CD2 3.24Å; Y56-H167 WeakPolarHBondContact CD1-CD2 3.48Å; Y56-H167 AromaticContact CD1-CG 3.78Å; Y56-H167 AromaticContact CD1-NE2 3.99Å; Y56-H167 AromaticContact CE1-CD2 3.62Å; Y56-H167 AromaticContact CE1-NE2 3.88Å; Y56-H167 WeakPolarHBondContact O-CB 3.46Å; Y56-H167 PolarHBondContact O-CD2 3.05Å; Y56-H167 PolarHBondContact O-N 2.82Å; S58-H167 WeakPolarHBondContact CB-NE2 3.19Å; S58-H167 PolarHBondContact OG-NE2 2.82Å; I165-H167 VanDerWaalsContact CG2-CE1 3.41Å; I165-H167 WeakPolarHBondContact CG2-CE1 3.49Å; H167-D186 VanDerWaalsContact CA-OD1 3.23Å; H167-D186 WeakPolarHBondContact CA-OD1 3.43Å; H167-D186 IonicContact CE1-OD2 3.4Å; H167-D186 IonicContact CG-OD1 3Å; H167-D186 VanDerWaalsContact ND1-CG 3.34Å; H167-D186 IonicContact ND1-OD1 3.46Å; H167-D186 PolarHBondContact ND1-OD1 2.87Å; H167-D186 IonicContact ND1-OD2 2.78Å; H167-D186 PolarHBondContact ND1-OD2 3.28Å
168G85.9Confident75.7Confident17 Ų1757.4 Ų57.418%0.17529%0.288CS..PPolyproline II helixtrans-63.6155.2177.100000113.4H170 S171 Q185 D186G168-H170 PolarHBondContact O-N 3.46Å; G168-S171 VanDerWaalsContact O-CB 3.29Å; G168-S171 WeakPolarHBondContact O-CB 3.49Å; G168-S171 PolarHBondContact O-N 2.91Å; G168-Q185 WeakPolarHBondContact CA-O 3.44Å; G168-Q185 PolarHBondContact N-O 2.9Å; G168-D186 PolarHBondContact N-OD1 3.18Å
169K72.7Confident73.8Confident174 Ų17460.9 Ų60.976%0.75730%0.304SS*.THydrogen-bonded Turntrans-54.7-29.7-174.2-68.4-178.6-180175.30114.8
170H64.3Low72.5Confident140 Ų14064 Ų6465%0.64832%0.322SS*.THydrogen-bonded Turntrans-88.6-3.3-177.8-66.9-69.2000114G168 K172G168-H170 PolarHBondContact O-N 3.46Å; H170-K172 VanDerWaalsContact C-N 3.27Å; H170-K172 PolarHBondContact O-N 2.63Å
171S62.1Low71.7Confident20 Ų2065.1 Ų65.114%0.1433%0.327CS..G310 helixtrans-63.6-33.7-178.5-163.10000111.8G168 F173 H178G168-S171 VanDerWaalsContact O-CB 3.29Å; G168-S171 WeakPolarHBondContact O-CB 3.49Å; G168-S171 PolarHBondContact O-N 2.91Å; S171-F173 PolarHBondContact O-N 2.99Å; S171-H178 PolarHBondContact O-CE1 2.8Å; S171-H178 PolarHBondContact O-ND1 3.45Å; S171-H178 PolarHBondContact O-NE2 2.82Å
172K55.8Low71.2Confident95 Ų9567.8 Ų67.841%0.41334%0.341SS..G310 helixtrans-62.4-32.2-176.4-138.8175-169.6169.50116.5D116 H170 H178D116-K172 IonicContact OD1-NZ 3.76Å; D116-K172 PolarHBondContact OD1-NZ 2.88Å; H170-K172 VanDerWaalsContact C-N 3.27Å; H170-K172 PolarHBondContact O-N 2.63Å; K172-H178 WeakPolarHBondContact CA-CE1 3.18Å; K172-H178 WeakPolarHBondContact CA-NE2 3.15Å; K172-H178 PolarHBondContact O-NE2 3.31Å
173F50.2Low70.5Confident182 Ų18270.5 Ų70.580%0.79836%0.358SS*.G310 helixtrans-85.9-13-169.9-83.4-87.3000114.8S171 S175S171-F173 PolarHBondContact O-N 2.99Å; F173-S175 PolarHBondContact O-N 2.89Å
174N46.4Very low69.9Low100 Ų10078.9 Ų78.954%0.53540%0.397SS..  trans-99.475.8177.5-74.9-21.2000110.5L176 N177 H178N174-L176 PolarHBondContact O-N 3.05Å; N174-N177 HydrophobicContact CB-CB 4.3Å; N174-N177 PolarHBondContact O-N 2.74Å; N174-H178 PolarHBondContact O-N 2.83Å
175S48.3Very low69.6Low99 Ų9982.9 Ų82.969%0.69242%0.415SS*.THydrogen-bonded Turntrans-51.7-23.3-172.7146.20000116.4F173F173-S175 PolarHBondContact O-N 2.89Å
176L48.8Very low69.4Low151 Ų15183.3 Ų83.379%0.79142%0.418SS*.THydrogen-bonded Turntrans-92.1-20.2175.4-90.2105000114.4N174N174-L176 PolarHBondContact O-N 3.05Å
177N48.4Very low69.4Low103 Ų10385.2 Ų85.255%0.55143%0.428SS*.THydrogen-bonded Turntrans-107.2-0.8-171.8-70.4-12.1000114N174 Q179 L180N174-N177 HydrophobicContact CB-CB 4.3Å; N174-N177 PolarHBondContact O-N 2.74Å; N177-Q179 PolarHBondContact O-N 3.08Å; N177-L180 PolarHBondContact O-N 2.81Å
178H48.7Very low69.5Low48 Ų4885.1 Ų85.122%0.22243%0.427CS..THydrogen-bonded Turntrans-45.2-21.4170.6-96.3-62.5000114.9S171 K172 N174S171-H178 PolarHBondContact O-CE1 2.8Å; S171-H178 PolarHBondContact O-ND1 3.45Å; S171-H178 PolarHBondContact O-NE2 2.82Å; K172-H178 WeakPolarHBondContact CA-CE1 3.18Å; K172-H178 WeakPolarHBondContact CA-NE2 3.15Å; K172-H178 PolarHBondContact O-NE2 3.31Å; N174-H178 PolarHBondContact O-N 2.83Å
179Q59.2Low69.9Low75 Ų7585.9 Ų85.935%0.3543%0.425SS..THydrogen-bonded Turntrans-91.62.4-172.7-64.6178.3-13.500113.7I101 Q102 Y103 N177I101-Q179 PolarHBondContact O-OE1 2.72Å; Q102-Q179 HydrophobicContact CB-CB 4.07Å; Q102-Q179 HydrophobicContact CB-CG 4.35Å; Q102-Q179 HydrophobicContact CG-CB 4.01Å; Q102-Q179 HydrophobicContact CG-CG 4.43Å; Q102-Q179 WeakPolarHBondContact CG-O 3.48Å; Y103-Q179 PolarHBondContact N-O 2.85Å; Y103-Q179 VanDerWaalsContact N-O 3.09Å; N177-Q179 PolarHBondContact O-N 3.08Å
180L69.4Low71Confident85 Ų8577.6 Ų77.645%0.44539%0.389SS..SBendtrans-118.6121.8176.1-65.3176.5000110Y103 N177 N182Y103-L180 HydrophobicContact CD2-CD2 3.66Å; Y103-L180 HydrophobicContact CG-CD2 4.17Å; N177-L180 PolarHBondContact O-N 2.81Å; L180-N182 PolarHBondContact O-N 3.17Å
181F81.2Confident72.4Confident22 Ų2271.8 Ų71.810%0.09636%0.363CS..  trans-50.4128.3166.8166.9-107.6000110.6I165 V183 D186 V188 L237 L240 I308I165-F181 HydrophobicContact CD1-CD2 4.34Å; I165-F181 HydrophobicContact CG2-CD2 4.33Å; F181-V183 HydrophobicContact CE1-CB 3.85Å; F181-V183 HydrophobicContact CE1-CG2 4.25Å; F181-V183 HydrophobicContact CZ-CB 4.18Å; F181-V183 HydrophobicContact CZ-CG2 4.39Å; F181-D186 HydrophobicContact CD2-CB 3.77Å; F181-D186 HydrophobicContact CE2-CB 3.64Å; F181-V188 HydrophobicContact CD2-CG2 3.91Å; F181-V188 HydrophobicContact CE2-CG2 3.15Å; F181-V188 HydrophobicContact CZ-CG2 3.55Å; F181-L237 HydrophobicContact CE1-CD2 4.13Å; F181-L240 HydrophobicContact CD1-CB 3.82Å; F181-L240 HydrophobicContact CD1-CD1 3.79Å; F181-L240 HydrophobicContact CD1-CG 4.35Å; F181-L240 HydrophobicContact CE1-CB 4.32Å; F181-L240 HydrophobicContact CE1-CD1 3.54Å; F181-L240 HydrophobicContact CG-CB 4.45Å; F181-L240 HydrophobicContact CG-CD1 4.4Å; F181-L240 HydrophobicContact CZ-CD1 3.97Å; F181-I308 HydrophobicContact CE1-CD1 3.99Å; F181-I308 HydrophobicContact CZ-CD1 3.6Å
182N85Confident74Confident56 Ų5671.9 Ų71.930%0.29936%0.362SS..  trans-107.2107175.6-173.9-37.8000110.7L180 E184 Q185 D186L180-N182 PolarHBondContact O-N 3.17Å; N182-E184 PolarHBondContact O-N 2.81Å; N182-E184 PolarHBondContact OD1-N 3.38Å; N182-Q185 HydrophobicContact CB-CB 4.21Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 VanDerWaalsContact O-N 3.08Å; N182-Q185 PolarHBondContact OD1-N 2.92Å; N182-D186 PolarHBondContact N-OD2 2.99Å; N182-D186 VanDerWaalsContact O-CB 3.28Å; N182-D186 WeakPolarHBondContact O-CB 3.41Å; N182-D186 PolarHBondContact O-N 3.02Å
183V82.8Confident75.9Confident59 Ų5967.3 Ų67.336%0.35834%0.342SS..THydrogen-bonded Turntrans-57.5-25.2-177.470.30000114.9F181 L237 W302F181-V183 HydrophobicContact CE1-CB 3.85Å; F181-V183 HydrophobicContact CE1-CG2 4.25Å; F181-V183 HydrophobicContact CZ-CB 4.18Å; F181-V183 HydrophobicContact CZ-CG2 4.39Å; V183-L237 HydrophobicContact CB-CD2 4.28Å; V183-L237 HydrophobicContact CG2-CD1 4.39Å; V183-L237 HydrophobicContact CG2-CD2 3.56Å; V183-W302 HydrophobicContact CG1-CH2 4.23Å; V183-W302 HydrophobicContact CG1-CZ3 4.34Å
184E84.2Confident78.2Confident176 Ų17658.8 Ų58.882%0.82230%0.304SS*.THydrogen-bonded Turntrans-88.5-23-179-60-174.7163.200112.9N182N182-E184 PolarHBondContact O-N 2.81Å; N182-E184 PolarHBondContact OD1-N 3.38Å
185Q87.8Confident80.6Confident84 Ų8456.7 Ų56.739%0.39329%0.289SS..THydrogen-bonded Turntrans-115.4-26.7-171.5-61.1-174.318.700113.7G168 N182G168-Q185 WeakPolarHBondContact CA-O 3.44Å; G168-Q185 PolarHBondContact N-O 2.9Å; N182-Q185 HydrophobicContact CB-CB 4.21Å; N182-Q185 PolarHBondContact O-N 2.85Å; N182-Q185 VanDerWaalsContact O-N 3.08Å; N182-Q185 PolarHBondContact OD1-N 2.92Å
186D91.5Very high82.9Confident11 Ų1152 Ų526%0.05926%0.256CS..PPolyproline II helixtrans-103.1137.4-173.5-62.9-16.5000110.4I165 K166 H167 G168 F181 N182I165-D186 HydrophobicContact CG2-CB 3.81Å; K166-D186 WeakPolarHBondContact O-CA 3.44Å; H167-D186 VanDerWaalsContact CA-OD1 3.23Å; H167-D186 WeakPolarHBondContact CA-OD1 3.43Å; H167-D186 IonicContact CE1-OD2 3.4Å; H167-D186 IonicContact CG-OD1 3Å; H167-D186 VanDerWaalsContact ND1-CG 3.34Å; H167-D186 IonicContact ND1-OD1 3.46Å; H167-D186 PolarHBondContact ND1-OD1 2.87Å; H167-D186 IonicContact ND1-OD2 2.78Å; H167-D186 PolarHBondContact ND1-OD2 3.28Å; G168-D186 PolarHBondContact N-OD1 3.18Å; F181-D186 HydrophobicContact CD2-CB 3.77Å; F181-D186 HydrophobicContact CE2-CB 3.64Å; N182-D186 PolarHBondContact N-OD2 2.99Å; N182-D186 VanDerWaalsContact O-CB 3.28Å; N182-D186 WeakPolarHBondContact O-CB 3.41Å; N182-D186 PolarHBondContact O-N 3.02Å
187E92.8Very high85.2Confident84 Ų8447.5 Ų47.539%0.39323%0.229SC..EExtended strand (participates in β ladder)trans-102125.3175.2-61.7167.7-169.100109.3I165 K166 Y189I165-E187 WeakPolarHBondContact CA-O 3.5Å; K166-E187 HydrophobicContact CB-CB 4.25Å; K166-E187 PolarHBondContact N-O 2.82Å; K166-E187 PolarHBondContact O-N 2.92Å; E187-Y189 HydrophobicContact CB-CD2 4.48Å; E187-Y189 HydrophobicContact CB-CE2 3.69Å; E187-Y189 PolarHBondContact OE2-OH 2.91Å
188V94.1Very high87.6Confident6 Ų642.7 Ų42.74%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-99.6129177.4-171.70000110.2I163 I165 F181 L235 L240 I308 G309 I310I163-V188 HydrophobicContact CB-CG1 4.07Å; I163-V188 HydrophobicContact CD1-CG1 3.94Å; I163-V188 HydrophobicContact CG2-CG1 4.13Å; I165-V188 HydrophobicContact CG1-CG2 4.49Å; F181-V188 HydrophobicContact CD2-CG2 3.91Å; F181-V188 HydrophobicContact CE2-CG2 3.15Å; F181-V188 HydrophobicContact CZ-CG2 3.55Å; V188-L235 HydrophobicContact CG1-CD1 4.35Å; V188-L235 HydrophobicContact CG1-CD2 3.94Å; V188-L240 HydrophobicContact CG2-CD1 4.23Å; V188-I308 HydrophobicContact CB-CD1 4.4Å; V188-I308 HydrophobicContact CG2-CD1 3.94Å; V188-G309 CarbonylContact O-C 3.57Å; V188-G309 VanDerWaalsContact O-CA 3.31Å; V188-G309 WeakPolarHBondContact O-CA 3.3Å; V188-I310 PolarHBondContact O-N 3.17Å
189Y94.8Very high89.9Confident34 Ų3443.2 Ų43.213%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-117.1131.4176-62-88.1000110L6 W57 I163 A164 K166 E187 I310L6-Y189 HydrophobicContact CD1-CD1 3.21Å; L6-Y189 HydrophobicContact CD1-CE1 3.86Å; L6-Y189 HydrophobicContact CD1-CG 3.87Å; L6-Y189 HydrophobicContact CD2-CD1 3.94Å; L6-Y189 HydrophobicContact CD2-CD2 4.38Å; L6-Y189 HydrophobicContact CD2-CG 3.71Å; L6-Y189 HydrophobicContact CG-CD1 3.72Å; L6-Y189 HydrophobicContact CG-CE1 4.2Å; L6-Y189 HydrophobicContact CG-CG 4.04Å; W57-Y189 HydrophobicContact CH2-CD2 4.1Å; W57-Y189 AromaticContact CH2-CE2 3.76Å; W57-Y189 HydrophobicContact CH2-CE2 3.76Å; W57-Y189 AromaticContact CZ3-CD2 3.73Å; W57-Y189 HydrophobicContact CZ3-CD2 3.73Å; W57-Y189 AromaticContact CZ3-CE2 3.86Å; W57-Y189 HydrophobicContact CZ3-CE2 3.86Å; I163-Y189 CarbonylContact C-O 3.51Å; I163-Y189 WeakPolarHBondContact CA-O 3.47Å; I163-Y189 WeakPolarHBondContact CB-O 3.4Å; A164-Y189 PolarHBondContact N-O 3.22Å; A164-Y189 WeakPolarHBondContact O-CB 3.21Å; A164-Y189 PolarHBondContact O-N 3.37Å; K166-Y189 HydrophobicContact CB-CE2 3.98Å; E187-Y189 HydrophobicContact CB-CD2 4.48Å; E187-Y189 HydrophobicContact CB-CE2 3.69Å; E187-Y189 PolarHBondContact OE2-OH 2.91Å; Y189-I310 WeakPolarHBondContact CA-O 3.46Å; Y189-I310 HydrophobicContact CD1-CB 3.61Å; Y189-I310 HydrophobicContact CD1-CD1 4.09Å; Y189-I310 HydrophobicContact CD1-CG1 4.42Å; Y189-I310 HydrophobicContact CD1-CG2 3.86Å; Y189-I310 HydrophobicContact CE1-CB 3.9Å; Y189-I310 HydrophobicContact CE1-CD1 3.57Å; Y189-I310 HydrophobicContact CE1-CG1 4.33Å; Y189-I310 HydrophobicContact CE1-CG2 3.91Å; Y189-I310 HydrophobicContact CG-CB 4.48Å
190I94.8Very high91.7Very high0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-97116.5-179-51.7-178.2000108.6N232 K233 L235 I310I190-N232 HydrophobicContact CG2-CB 3.85Å; I190-K233 VanDerWaalsContact CD1-O 3.26Å; I190-K233 WeakPolarHBondContact CD1-O 3.49Å; I190-L235 HydrophobicContact CD1-CD2 3.58Å; I190-L235 HydrophobicContact CG1-CD2 3.82Å; I190-I310 PolarHBondContact N-O 3.18Å
191L94.8Very high93.1Very high18 Ų1838.5 Ų38.59%0.09419%0.186CC..EExtended strand (participates in β ladder)trans-90.7-43.9179.2-57.7-178.9000110.9L6 I9 V11 I59 L162 A164 N232L6-L191 HydrophobicContact CD2-CD2 3.87Å; I9-L191 HydrophobicContact CG2-CD1 3.75Å; V11-L191 HydrophobicContact CG2-CB 4.1Å; I59-L191 HydrophobicContact CG2-CD1 4.17Å; L162-L191 HydrophobicContact CB-CB 4.38Å; L162-L191 HydrophobicContact CD2-CB 3.8Å; L162-L191 HydrophobicContact CD2-CD1 4.14Å; L162-L191 HydrophobicContact CG-CB 3.92Å; L162-L191 HydrophobicContact CG-CD1 4.08Å; L162-L191 WeakPolarHBondContact O-CB 3.45Å; L162-L191 PolarHBondContact O-N 2.91Å; A164-L191 HydrophobicContact CB-CD1 4.27Å; L191-N232 PolarHBondContact O-ND2 2.84Å
192N95.2Very high93.9Very high21 Ų2137.5 Ų37.511%0.11218%0.181CC..EExtended strand (participates in β ladder)trans-154.8162.8173.5-143.682000111.9I14 W161 L162 I227 L228 N232I14-N192 HydrophobicContact CD1-CB 3.39Å; I14-N192 VanDerWaalsContact CD1-ND2 3.33Å; I14-N192 WeakPolarHBondContact CD1-ND2 3.33Å; W161-N192 WeakPolarHBondContact CA-O 3.45Å; L162-N192 HydrophobicContact CB-CB 4.29Å; L162-N192 PolarHBondContact N-O 3.18Å; L162-N192 PolarHBondContact O-N 3.25Å; N192-I227 VanDerWaalsContact ND2-CG2 3.27Å; N192-I227 WeakPolarHBondContact ND2-CG2 3.36Å; N192-L228 PolarHBondContact ND2-O 2.9Å; N192-N232 WeakPolarHBondContact CA-OD1 3.33Å
193T96.5Very high94.6Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-130.6140.4177.5-47.20000109.9W159 V160 L228 N232 K233W159-T193 HydrophobicContact CE3-CG2 3.53Å; W159-T193 HydrophobicContact CZ3-CG2 3.73Å; V160-T193 CarbonylContact O-C 3.59Å; V160-T193 WeakPolarHBondContact O-CA 3.31Å; T193-L228 HydrophobicContact CG2-CD2 4.25Å; T193-L228 PolarHBondContact O-N 3.36Å; T193-N232 PolarHBondContact N-OD1 2.95Å; T193-N232 WeakPolarHBondContact OG1-CA 3.39Å; T193-N232 PolarHBondContact OG1-OD1 2.94Å; T193-K233 HydrophobicContact CG2-CB 4.16Å; T193-K233 PolarHBondContact OG1-N 2.87Å
194I97Very high95.3Very high2 Ų233.8 Ų33.81%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-129.4144.8177.3-47.9169000107.2I14 A16 W159 V160 P225 I226 I227I14-I194 HydrophobicContact CG2-CD1 3.56Å; I14-I194 HydrophobicContact CG2-CG1 4.23Å; A16-I194 HydrophobicContact CB-CD1 4.24Å; A16-I194 HydrophobicContact CB-CG2 3.8Å; W159-I194 WeakPolarHBondContact CA-O 3.48Å; V160-I194 HydrophobicContact CB-CB 4.14Å; V160-I194 PolarHBondContact N-O 3.21Å; V160-I194 PolarHBondContact O-N 3.2Å; I194-P225 HydrophobicContact CG2-CB 4.36Å; I194-I226 CarbonylContact C-O 3.55Å; I194-I226 VanDerWaalsContact CA-O 3.27Å; I194-I226 WeakPolarHBondContact CA-O 3.42Å; I194-I226 WeakPolarHBondContact CG2-O 3.49Å; I194-I227 HydrophobicContact CG1-CG1 4.33Å; I194-I227 HydrophobicContact CG2-CG1 4.35Å
195R96.9Very high95.9Very high56 Ų5627.2 Ų27.221%0.21113%0.13CC..EExtended strand (participates in β ladder)trans-127.4135.6172.2-168.3179.5-172.7-173.31.4109.8D66 T157 F158 W159 Y197 P225 I226 L228D66-R195 IonicContact OD2-NH2 3.23Å; T157-R195 HydrophobicContact CG2-CG 4.26Å; F158-R195 WeakPolarHBondContact O-CA 3.19Å; F158-R195 WeakPolarHBondContact O-CG 3.36Å; W159-R195 HydrophobicContact CD2-CB 4.34Å; W159-R195 HydrophobicContact CD2-CG 4.1Å; W159-R195 HydrophobicContact CE3-CB 4.08Å; W159-R195 HydrophobicContact CE3-CG 4.32Å; W159-R195 HydrophobicContact CH2-CB 4.41Å; W159-R195 HydrophobicContact CH2-CG 4.39Å; W159-R195 VanDerWaalsContact CZ2-CD 3.41Å; W159-R195 HydrophobicContact CZ2-CG 4.18Å; W159-R195 HydrophobicContact CZ3-CB 4.11Å; W159-R195 HydrophobicContact CZ3-CG 4.46Å; R195-Y197 WeakPolarHBondContact CD-OH 3.41Å; R195-Y197 HydrophobicContact CG-CE1 4.41Å; R195-Y197 HydrophobicContact CG-CE2 4.21Å; R195-Y197 PolarHBondContact NE-OH 3.24Å; R195-Y197 PolarHBondContact NH1-OH 2.97Å; R195-P225 CarbonylContact O-C 3.46Å; R195-P225 WeakPolarHBondContact O-CA 3.44Å; R195-I226 PolarHBondContact N-O 3.21Å; R195-I226 PolarHBondContact O-N 3.05Å; R195-L228 HydrophobicContact CB-CD1 4.45Å
196W97.5Very high96.1Very high2 Ų224 Ų241%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-137.8154.1175.966.5-87.3000111.2Y18 F40 D131 F133 F158 Y198 P225Y18-W196 AromaticContact CE1-CE3 3.93Å; Y18-W196 HydrophobicContact CE1-CE3 3.93Å; Y18-W196 HydrophobicContact CE1-CZ3 4.47Å; F40-W196 HydrophobicContact CB-CE3 4.37Å; F40-W196 HydrophobicContact CB-CH2 4.35Å; F40-W196 HydrophobicContact CB-CZ3 4.21Å; F40-W196 HydrophobicContact CD1-CD2 4.28Å; F40-W196 AromaticContact CD1-CE2 3.85Å; F40-W196 HydrophobicContact CD1-CZ2 4.08Å; F40-W196 AromaticContact CD1-NE1 3.91Å; F40-W196 HydrophobicContact CD2-CB 4.29Å; F40-W196 HydrophobicContact CD2-CD2 4.04Å; F40-W196 HydrophobicContact CD2-CE3 4.35Å; F40-W196 HydrophobicContact CD2-CG 4.03Å; F40-W196 AromaticContact CE1-CD1 3.87Å; F40-W196 HydrophobicContact CE1-CD2 4.48Å; F40-W196 HydrophobicContact CE1-CG 4.41Å; F40-W196 AromaticContact CE1-NE1 3.59Å; F40-W196 HydrophobicContact CE2-CB 3.96Å; F40-W196 AromaticContact CE2-CD1 3.85Å; F40-W196 HydrophobicContact CE2-CD2 4.26Å; F40-W196 AromaticContact CE2-CG 3.79Å; F40-W196 HydrophobicContact CE2-CG 3.79Å; F40-W196 HydrophobicContact CG-CD2 4.04Å; F40-W196 HydrophobicContact CG-CE3 4.27Å; F40-W196 HydrophobicContact CG-CG 4.43Å; F40-W196 HydrophobicContact CG-CZ2 4.36Å; F40-W196 HydrophobicContact CG-CZ3 4.5Å; F40-W196 AromaticContact CZ-CD1 3.57Å; F40-W196 HydrophobicContact CZ-CD2 4.48Å; F40-W196 AromaticContact CZ-CG 4Å; F40-W196 HydrophobicContact CZ-CG 4Å; F40-W196 AromaticContact CZ-NE1 3.81Å; D131-W196 HydrophobicContact CB-CZ2 4.48Å; F133-W196 AromaticContact CZ-CH2 3.94Å; F133-W196 HydrophobicContact CZ-CH2 3.94Å; F133-W196 HydrophobicContact CZ-CZ3 4.29Å; F158-W196 HydrophobicContact CB-CD2 3.97Å; F158-W196 VanDerWaalsContact CB-CE2 3.4Å; F158-W196 HydrophobicContact CB-CG 4.19Å; F158-W196 HydrophobicContact CB-CZ2 3.8Å; F158-W196 VanDerWaalsContact CB-NE1 3.28Å; F158-W196 HydrophobicContact CD1-CZ2 4.17Å; F158-W196 HydrophobicContact CD2-CD2 4.04Å; F158-W196 AromaticContact CD2-CE2 3.63Å; F158-W196 HydrophobicContact CD2-CE3 4.1Å; F158-W196 AromaticContact CD2-CH2 3.39Å; F158-W196 HydrophobicContact CD2-CH2 3.39Å; F158-W196 AromaticContact CD2-CZ2 3.28Å; F158-W196 HydrophobicContact CD2-CZ2 3.28Å; F158-W196 AromaticContact CD2-CZ3 3.82Å; F158-W196 HydrophobicContact CD2-CZ3 3.82Å; F158-W196 AromaticContact CE2-CH2 3.51Å; F158-W196 HydrophobicContact CE2-CH2 3.51Å; F158-W196 AromaticContact CE2-CZ2 3.77Å; F158-W196 HydrophobicContact CE2-CZ2 3.77Å; F158-W196 HydrophobicContact CE2-CZ3 4.08Å; F158-W196 HydrophobicContact CG-CD2 4.37Å; F158-W196 AromaticContact CG-CE2 3.67Å; F158-W196 HydrophobicContact CG-CH2 4.11Å; F158-W196 AromaticContact CG-CZ2 3.5Å; F158-W196 HydrophobicContact CG-CZ2 3.5Å; F158-W196 HydrophobicContact CZ-CH2 4.29Å; F158-W196 HydrophobicContact CZ-CZ2 4.37Å; F158-W196 PolarHBondContact N-O 2.89Å; F158-W196 PolarHBondContact O-N 3.15Å; W196-Y198 AromaticContact CZ3-CD2 3.98Å; W196-Y198 HydrophobicContact CZ3-CD2 3.98Å; W196-Y198 HydrophobicContact CZ3-CG 4.24Å; W196-P225 HydrophobicContact CB-CB 3.97Å; W196-P225 HydrophobicContact CB-CG 4.03Å
197Y97.1Very high96.2Very high55 Ų5533.4 Ų33.422%0.21615%0.153CC..EExtended strand (participates in β ladder)trans-134.6127.9-171.6-50-95.5000109.4Y18 Q156 T157 R195 Q221 I226Y18-Y197 PolarHBondContact OH-N 3.25Å; Y18-Y197 VanDerWaalsContact OH-N 3.1Å; Y18-Y197 PolarHBondContact OH-O 3.46Å; Q156-Y197 WeakPolarHBondContact O-CA 3.36Å; T157-Y197 HydrophobicContact CG2-CD1 3.4Å; T157-Y197 HydrophobicContact CG2-CE1 3.44Å; T157-Y197 VanDerWaalsContact CG2-CE1 3.44Å; T157-Y197 HydrophobicContact CG2-CG 4.35Å; T157-Y197 WeakPolarHBondContact OG1-CD1 3.28Å; R195-Y197 WeakPolarHBondContact CD-OH 3.41Å; R195-Y197 HydrophobicContact CG-CE1 4.41Å; R195-Y197 HydrophobicContact CG-CE2 4.21Å; R195-Y197 PolarHBondContact NE-OH 3.24Å; R195-Y197 PolarHBondContact NH1-OH 2.97Å; Y197-Q221 PolarHBondContact O-OE1 2.91Å; Y197-I226 HydrophobicContact CE2-CD1 4.16Å
198Y97.5Very high96.3Very high2 Ų233.3 Ų33.31%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-119.6128.3-178-157.9-86.2000111Y18 S37 Q38 F133 K155 Q156 W196 L200 D219 Q221Y18-Y198 HydrophobicContact CD1-CD2 4.46Å; Y18-Y198 HydrophobicContact CE1-CD2 4.06Å; S37-Y198 VanDerWaalsContact CB-OH 3.29Å; S37-Y198 WeakPolarHBondContact CB-OH 3.2Å; Q38-Y198 HydrophobicContact CB-CE2 4.4Å; Q38-Y198 WeakPolarHBondContact CB-OH 3.47Å; Q38-Y198 PolarHBondContact N-OH 3.05Å; Q38-Y198 VanDerWaalsContact N-OH 3.09Å; F133-Y198 HydrophobicContact CD2-CD1 4.01Å; F133-Y198 AromaticContact CD2-CE1 3.95Å; F133-Y198 HydrophobicContact CD2-CE1 3.95Å; F133-Y198 HydrophobicContact CD2-CG 4.46Å; F133-Y198 AromaticContact CE2-CD1 3.48Å; F133-Y198 HydrophobicContact CE2-CD1 3.48Å; F133-Y198 VanDerWaalsContact CE2-CD1 3.48Å; F133-Y198 HydrophobicContact CE2-CD2 4.07Å; F133-Y198 AromaticContact CE2-CE1 3.87Å; F133-Y198 HydrophobicContact CE2-CE1 3.87Å; F133-Y198 HydrophobicContact CE2-CE2 4.41Å; F133-Y198 AromaticContact CE2-CG 3.58Å; F133-Y198 HydrophobicContact CE2-CG 3.58Å; F133-Y198 HydrophobicContact CZ-CG 4.43Å; K155-Y198 CarbonylContact C-O 3.55Å; K155-Y198 VanDerWaalsContact CA-O 3.25Å; K155-Y198 WeakPolarHBondContact CA-O 3.29Å; Q156-Y198 PolarHBondContact N-O 3.14Å; Q156-Y198 PolarHBondContact O-N 2.85Å; W196-Y198 AromaticContact CZ3-CD2 3.98Å; W196-Y198 HydrophobicContact CZ3-CD2 3.98Å; W196-Y198 HydrophobicContact CZ3-CG 4.24Å; Y198-L200 HydrophobicContact CD1-CB 4.34Å; Y198-L200 HydrophobicContact CE1-CB 3.8Å; Y198-D219 WeakPolarHBondContact CE1-OD1 3.04Å; Y198-D219 PolarHBondContact OH-OD1 2.86Å; Y198-D219 PolarHBondContact OH-OD2 3.09Å; Y198-Q221 HydrophobicContact CD2-CG 4.44Å; Y198-Q221 HydrophobicContact CE2-CG 4.44Å
199T97.3Very high96.3Very high60 Ų6036.8 Ų36.837%0.36818%0.176SC..EExtended strand (participates in β ladder)trans-125.9132.6173-62.20000109.9R154 K155 Q221R154-T199 CarbonylContact O-C 3.59Å; R154-T199 WeakPolarHBondContact O-CA 3.26Å; K155-T199 HydrophobicContact CG-CG2 4.19Å; T199-Q221 PolarHBondContact O-NE2 3.25Å; T199-Q221 PolarHBondContact O-OE1 3.09Å
200L98.1Very high96.3Very high0 Ų038.3 Ų38.30%019%0.185CC..EExtended strand (participates in β ladder)trans-143.4132.7175.9165.370.6000109.3T24 Y35 I153 R154 Y198 I202 I217 D218 D219T24-L200 HydrophobicContact CG2-CD1 4.38Å; Y35-L200 HydrophobicContact CD2-CD2 4.02Å; Y35-L200 HydrophobicContact CE2-CD2 3.48Å; Y35-L200 VanDerWaalsContact CE2-CD2 3.48Å; I153-L200 WeakPolarHBondContact CA-O 3.31Å; R154-L200 HydrophobicContact CB-CB 4.25Å; R154-L200 PolarHBondContact N-O 3.47Å; R154-L200 PolarHBondContact O-N 3.43Å; Y198-L200 HydrophobicContact CD1-CB 4.34Å; Y198-L200 HydrophobicContact CE1-CB 3.8Å; L200-I202 HydrophobicContact CD1-CD1 4.17Å; L200-I202 HydrophobicContact CD1-CG1 3.71Å; L200-I202 HydrophobicContact CD2-CD1 4Å; L200-I202 HydrophobicContact CD2-CG1 4.37Å; L200-I202 HydrophobicContact CG-CD1 4.23Å; L200-I202 HydrophobicContact CG-CG1 4.04Å; L200-I217 HydrophobicContact CD1-CG2 3.96Å; L200-D218 CarbonylContact C-O 3.51Å; L200-D218 WeakPolarHBondContact CA-O 3.26Å; L200-D219 HydrophobicContact CD1-CB 3.69Å
201H98.5Very high96.3Very high61 Ų6141 Ų4128%0.28221%0.213SC..EExtended strand (participates in β ladder)trans-130.8117.4169.8-175-172.6000109.5D151 I152 T203 D218D151-H201 IonicContact OD1-CD2 3.94Å; D151-H201 IonicContact OD1-CE1 3.7Å; D151-H201 IonicContact OD1-NE2 2.97Å; D151-H201 PolarHBondContact OD1-NE2 2.95Å; I152-H201 CarbonylContact O-C 3.58Å; I152-H201 VanDerWaalsContact O-CA 3.29Å; I152-H201 WeakPolarHBondContact O-CA 3.36Å; H201-T203 WeakPolarHBondContact NE2-CG2 3.43Å; H201-D218 HydrophobicContact CB-CB 4.37Å; H201-D218 PolarHBondContact N-O 2.92Å; H201-D218 PolarHBondContact O-N 3.12Å
202I98.7Very high96.3Very high0 Ų047.2 Ų47.20%024%0.24CC..EExtended strand (participates in β ladder)trans-110.6132.5174.5-51.1159.8000108.2T24 I26 Y35 D151 I152 L200 F204 L214 H216 I217T24-I202 HydrophobicContact CG2-CD1 4.45Å; I26-I202 HydrophobicContact CD1-CD1 3.69Å; I26-I202 HydrophobicContact CD1-CG1 4.43Å; I26-I202 HydrophobicContact CD1-CG2 4.34Å; Y35-I202 HydrophobicContact CD1-CD1 3.99Å; Y35-I202 HydrophobicContact CD2-CD1 4.36Å; Y35-I202 HydrophobicContact CE1-CD1 4.33Å; Y35-I202 HydrophobicContact CG-CD1 3.99Å; D151-I202 CarbonylContact C-O 3.56Å; D151-I202 VanDerWaalsContact CA-O 3.25Å; D151-I202 WeakPolarHBondContact CA-O 3.47Å; I152-I202 HydrophobicContact CB-CB 4.3Å; I152-I202 HydrophobicContact CB-CD1 4.38Å; I152-I202 HydrophobicContact CD1-CD1 4.37Å; I152-I202 PolarHBondContact N-O 2.93Å; I152-I202 PolarHBondContact O-N 3.23Å; L200-I202 HydrophobicContact CD1-CD1 4.17Å; L200-I202 HydrophobicContact CD1-CG1 3.71Å; L200-I202 HydrophobicContact CD2-CD1 4Å; L200-I202 HydrophobicContact CD2-CG1 4.37Å; L200-I202 HydrophobicContact CG-CD1 4.23Å; L200-I202 HydrophobicContact CG-CG1 4.04Å; I202-F204 HydrophobicContact CB-CE2 4Å; I202-F204 HydrophobicContact CB-CZ 4.14Å; I202-F204 HydrophobicContact CG2-CD2 4.28Å; I202-F204 HydrophobicContact CG2-CE1 3.87Å; I202-F204 HydrophobicContact CG2-CE2 3.5Å; I202-F204 HydrophobicContact CG2-CZ 3.27Å; I202-L214 HydrophobicContact CG2-CD1 3.45Å; I202-L214 VanDerWaalsContact CG2-CD1 3.45Å; I202-H216 WeakPolarHBondContact CA-O 3.33Å; I202-I217 HydrophobicContact CG1-CG1 4.45Å; I202-I217 HydrophobicContact CG1-CG2 4.43Å; I202-I217 HydrophobicContact CG2-CG1 4.12Å
203T98.6Very high96.4Very high29 Ų2947.4 Ų47.418%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-116.1141.6177.762.80000110.9T150 D151 H201 K215 H216T150-T203 CarbonylContact O-C 3.58Å; T150-T203 WeakPolarHBondContact O-CA 3.45Å; D151-T203 WeakPolarHBondContact OD1-CG2 3.24Å; H201-T203 WeakPolarHBondContact NE2-CG2 3.43Å; T203-K215 PolarHBondContact O-N 2.84Å; T203-H216 PolarHBondContact N-O 3.1Å; T203-H216 PolarHBondContact O-N 2.84Å; T203-H216 WeakPolarHBondContact OG1-CB 3.15Å; T203-H216 PolarHBondContact OG1-N 2.64Å; T203-H216 PolarHBondContact OG1-O 2.92Å
204F98.2Very high96.4Very high8 Ų850.6 Ų50.64%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-127.4147.3-176.9-59-81.1000111.2I26 L33 W139 L149 T150 I152 I202 P206 R213 L214I26-F204 HydrophobicContact CG2-CE1 4.31Å; L33-F204 HydrophobicContact CD1-CZ 4.09Å; L33-F204 HydrophobicContact CD2-CE1 4.47Å; L33-F204 HydrophobicContact CD2-CE2 4.17Å; L33-F204 HydrophobicContact CD2-CZ 3.91Å; W139-F204 AromaticContact CH2-CD1 3.55Å; W139-F204 HydrophobicContact CH2-CD1 3.55Å; W139-F204 AromaticContact CH2-CE1 3.64Å; W139-F204 HydrophobicContact CH2-CE1 3.64Å; W139-F204 HydrophobicContact CH2-CG 4.16Å; W139-F204 HydrophobicContact CH2-CZ 4.31Å; W139-F204 HydrophobicContact CZ3-CB 4.22Å; W139-F204 AromaticContact CZ3-CD1 3.69Å; W139-F204 HydrophobicContact CZ3-CD1 3.69Å; W139-F204 HydrophobicContact CZ3-CD2 4.27Å; W139-F204 HydrophobicContact CZ3-CE1 4.06Å; W139-F204 AromaticContact CZ3-CG 3.8Å; W139-F204 HydrophobicContact CZ3-CG 3.8Å; W139-F204 HydrophobicContact CZ3-CZ 4.48Å; L149-F204 HydrophobicContact CD2-CD2 3.93Å; L149-F204 HydrophobicContact CD2-CE2 3.87Å; L149-F204 HydrophobicContact CG-CD2 4.31Å; T150-F204 PolarHBondContact O-N 2.98Å; I152-F204 HydrophobicContact CD1-CE2 3.81Å; I152-F204 HydrophobicContact CD1-CZ 4.23Å; I152-F204 HydrophobicContact CG1-CE2 4.01Å; I202-F204 HydrophobicContact CB-CE2 4Å; I202-F204 HydrophobicContact CB-CZ 4.14Å; I202-F204 HydrophobicContact CG2-CD2 4.28Å; I202-F204 HydrophobicContact CG2-CE1 3.87Å; I202-F204 HydrophobicContact CG2-CE2 3.5Å; I202-F204 HydrophobicContact CG2-CZ 3.27Å; F204-P206 WeakPolarHBondContact O-CD 3.27Å; F204-R213 CarbonylContact C-O 3.53Å; F204-R213 VanDerWaalsContact CA-O 3.23Å; F204-R213 WeakPolarHBondContact CA-O 3.11Å; F204-R213 HydrophobicContact CB-CB 4.49Å; F204-R213 HydrophobicContact CD1-CB 4.26Å; F204-L214 HydrophobicContact CD1-CB 4.46Å; F204-L214 HydrophobicContact CD1-CD1 4.3Å; F204-L214 HydrophobicContact CE1-CB 4.42Å; F204-L214 HydrophobicContact CE1-CD1 3.88Å; F204-L214 HydrophobicContact CZ-CD1 4.48Å
205D96.5Very high96.5Very high38 Ų3857.3 Ų57.320%0.20329%0.285CS..  trans-97.2103.1166.1-171-10.4000108.5Y207 Q208 R213 K215D205-Y207 PolarHBondContact O-N 3.27Å; D205-Y207 WeakPolarHBondContact OD1-CB 3.32Å; D205-Y207 VanDerWaalsContact OD1-CD2 3.31Å; D205-Y207 WeakPolarHBondContact OD1-CD2 3.41Å; D205-Y207 PolarHBondContact OD1-N 3.02Å; D205-Q208 HydrophobicContact CB-CB 4.33Å; D205-Q208 HydrophobicContact CB-CG 3.73Å; D205-Q208 PolarHBondContact O-N 3.09Å; D205-Q208 VanDerWaalsContact O-N 3.17Å; D205-Q208 WeakPolarHBondContact OD2-CG 3.32Å; D205-Q208 PolarHBondContact OD2-NE2 2.89Å; D205-R213 PolarHBondContact N-O 2.92Å; D205-R213 WeakPolarHBondContact O-CG 3.16Å; D205-K215 HydrophobicContact CB-CD 3.77Å; D205-K215 HydrophobicContact CB-CG 3.78Å
206P92.7Very high96.5Very high18 Ų1859.9 Ų59.912%0.11730%0.299CS..THydrogen-bonded Turntrans-63.3-22.9-178.726.5-34.9000112.9Q148 T150 F204 Q208 R213Q148-P206 HydrophobicContact CB-CB 3.56Å; Q148-P206 HydrophobicContact CG-CB 4.45Å; Q148-P206 VanDerWaalsContact OE1-CB 3.32Å; Q148-P206 PolarHBondContact OE1-O 2.9Å; Q148-P206 VanDerWaalsContact OE1-O 3.14Å; T150-P206 HydrophobicContact CG2-CG 4.2Å; F204-P206 WeakPolarHBondContact O-CD 3.27Å; P206-Q208 VanDerWaalsContact C-N 3.32Å; P206-R213 PolarHBondContact O-NH2 3.09Å
207Y92.4Very high96.6Very high208 Ų20862 Ų6282%0.81631%0.31SS*.THydrogen-bonded Turntrans-80.4-12.4-179.2-54.2-69.4000113.5D205D205-Y207 PolarHBondContact O-N 3.27Å; D205-Y207 WeakPolarHBondContact OD1-CB 3.32Å; D205-Y207 VanDerWaalsContact OD1-CD2 3.31Å; D205-Y207 WeakPolarHBondContact OD1-CD2 3.41Å; D205-Y207 PolarHBondContact OD1-N 3.02Å
208Q95.8Very high96.6Very high81 Ų8162.7 Ų62.738%0.37932%0.317SS..SBendtrans-79.7150.5171.2-64.7-59-4200110.9D205 P206 K212 R213D205-Q208 HydrophobicContact CB-CB 4.33Å; D205-Q208 HydrophobicContact CB-CG 3.73Å; D205-Q208 PolarHBondContact O-N 3.09Å; D205-Q208 VanDerWaalsContact O-N 3.17Å; D205-Q208 WeakPolarHBondContact OD2-CG 3.32Å; D205-Q208 PolarHBondContact OD2-NE2 2.89Å; P206-Q208 VanDerWaalsContact C-N 3.32Å; Q208-K212 HydrophobicContact CB-CB 4.27Å; Q208-K212 VanDerWaalsContact CB-O 3.28Å; Q208-K212 WeakPolarHBondContact CB-O 3.21Å; Q208-R213 HydrophobicContact CB-CG 4.24Å; Q208-R213 VanDerWaalsContact O-CG 3.27Å; Q208-R213 WeakPolarHBondContact O-CG 3.32Å; Q208-R213 PolarHBondContact O-NE 3.43Å
209P94Very high96.5Very high80 Ų8063.7 Ų63.752%0.51932%0.322SS..PPolyproline II helixtrans-64.2155.7171.129-35.5000111.1G211 K212P209-G211 PolarHBondContact O-N 2.93Å; P209-K212 HydrophobicContact CG-CB 4.43Å; P209-K212 HydrophobicContact CG-CD 4.41Å; P209-K212 PolarHBondContact O-N 3.05Å
210I93.7Very high96.2Very high66 Ų6666.8 Ų66.834%0.33834%0.335SS..THydrogen-bonded Turntrans-50.1136.9170.5-61.2-66.4000110.2E28 W139 K212E28-I210 HydrophobicContact CB-CG2 3.91Å; E28-I210 WeakPolarHBondContact OE2-CA 3.35Å; W139-I210 HydrophobicContact CD2-CD1 4.35Å; W139-I210 HydrophobicContact CG-CD1 4.26Å; W139-I210 HydrophobicContact CZ2-CD1 4.34Å; W139-I210 VanDerWaalsContact NE1-CD1 3.3Å; I210-K212 VanDerWaalsContact C-N 3.34Å
211G94.4Very high96.1Very high57 Ų5767.8 Ų67.859%0.58834%0.34SS*.THydrogen-bonded Turntrans89.7-6.7-172.900000114E28 P209E28-G211 PolarHBondContact OE2-N 3.17Å; P209-G211 PolarHBondContact O-N 2.93Å
212K95.9Very high95.6Very high148 Ų14874 Ų7464%0.64337%0.369SS*.SBendtrans-134.212.1178.1-62.3-171178.3-176.90113Q208 P209 I210Q208-K212 HydrophobicContact CB-CB 4.27Å; Q208-K212 VanDerWaalsContact CB-O 3.28Å; Q208-K212 WeakPolarHBondContact CB-O 3.21Å; P209-K212 HydrophobicContact CG-CB 4.43Å; P209-K212 HydrophobicContact CG-CD 4.41Å; P209-K212 PolarHBondContact O-N 3.05Å; I210-K212 VanDerWaalsContact C-N 3.34Å
213R96.6Very high95.3Very high24 Ų2479.1 Ų79.19%0.09139%0.393CS..  trans-77.8-34.3-177.8-67.1-172.8164.9-178.3-13.7111.8E28 W139 F204 D205 P206 Q208 K215E28-R213 PolarHBondContact OE1-N 2.91Å; E28-R213 VanDerWaalsContact OE1-N 3.11Å; W139-R213 HydrophobicContact CH2-CB 4.04Å; W139-R213 HydrophobicContact CZ3-CB 4.37Å; F204-R213 CarbonylContact C-O 3.53Å; F204-R213 VanDerWaalsContact CA-O 3.23Å; F204-R213 WeakPolarHBondContact CA-O 3.11Å; F204-R213 HydrophobicContact CB-CB 4.49Å; F204-R213 HydrophobicContact CD1-CB 4.26Å; D205-R213 PolarHBondContact N-O 2.92Å; D205-R213 WeakPolarHBondContact O-CG 3.16Å; P206-R213 PolarHBondContact O-NH2 3.09Å; Q208-R213 HydrophobicContact CB-CG 4.24Å; Q208-R213 VanDerWaalsContact O-CG 3.27Å; Q208-R213 WeakPolarHBondContact O-CG 3.32Å; Q208-R213 PolarHBondContact O-NE 3.43Å; R213-K215 PolarHBondContact O-N 2.88Å; R213-K215 VanDerWaalsContact O-N 3.13Å
214L97.6Very high95.1Very high67 Ų6782.9 Ų82.935%0.35141%0.409SS..EExtended strand (participates in β ladder)trans-55.1118.3178.2-176.663.2000111.7I26 E28 I202 F204 I217I26-L214 HydrophobicContact CB-CD2 4.29Å; I26-L214 HydrophobicContact CG1-CD1 4.05Å; I26-L214 HydrophobicContact CG1-CD2 3.9Å; E28-L214 PolarHBondContact OE1-N 3.09Å; E28-L214 VanDerWaalsContact OE1-N 3.09Å; I202-L214 HydrophobicContact CG2-CD1 3.45Å; I202-L214 VanDerWaalsContact CG2-CD1 3.45Å; F204-L214 HydrophobicContact CD1-CB 4.46Å; F204-L214 HydrophobicContact CD1-CD1 4.3Å; F204-L214 HydrophobicContact CE1-CB 4.42Å; F204-L214 HydrophobicContact CE1-CD1 3.88Å; F204-L214 HydrophobicContact CZ-CD1 4.48Å; L214-I217 HydrophobicContact CD1-CD1 4.15Å; L214-I217 HydrophobicContact CD1-CG1 3.72Å; L214-I217 HydrophobicContact CD2-CD1 3.81Å; L214-I217 HydrophobicContact CD2-CG1 4.21Å; L214-I217 HydrophobicContact CG-CG1 4.41Å
215K97.9Very high95.1Very high144 Ų14483.1 Ų83.163%0.62641%0.411SS*.EExtended strand (participates in β ladder)trans-97.8-48.1175.3-64.4-179.277.4175.80111.9T203 D205 R213T203-K215 PolarHBondContact O-N 2.84Å; D205-K215 HydrophobicContact CB-CD 3.77Å; D205-K215 HydrophobicContact CB-CG 3.78Å; R213-K215 PolarHBondContact O-N 2.88Å; R213-K215 VanDerWaalsContact O-N 3.13Å
216H98.1Very high95Very high109 Ų10985 Ų8551%0.50542%0.421SS..EExtended strand (participates in β ladder)trans-156.6146.8-174.1-176.466.8000111.2I202 T203I202-H216 WeakPolarHBondContact CA-O 3.33Å; T203-H216 PolarHBondContact N-O 3.1Å; T203-H216 PolarHBondContact O-N 2.84Å; T203-H216 WeakPolarHBondContact OG1-CB 3.15Å; T203-H216 PolarHBondContact OG1-N 2.64Å; T203-H216 PolarHBondContact OG1-O 2.92Å
217I98.3Very high95.2Very high48 Ų4886.8 Ų86.825%0.24643%0.429CS..EExtended strand (participates in β ladder)trans-124.3119.8170.9-59.1170.7000106.5T24 I26 L200 I202 L214 D219T24-I217 HydrophobicContact CG2-CD1 4.13Å; T24-I217 HydrophobicContact CG2-CG2 4.04Å; I26-I217 HydrophobicContact CD1-CD1 4.28Å; I26-I217 HydrophobicContact CG1-CD1 3.78Å; L200-I217 HydrophobicContact CD1-CG2 3.96Å; I202-I217 HydrophobicContact CG1-CG1 4.45Å; I202-I217 HydrophobicContact CG1-CG2 4.43Å; I202-I217 HydrophobicContact CG2-CG1 4.12Å; L214-I217 HydrophobicContact CD1-CD1 4.15Å; L214-I217 HydrophobicContact CD1-CG1 3.72Å; L214-I217 HydrophobicContact CD2-CD1 3.81Å; L214-I217 HydrophobicContact CD2-CG1 4.21Å; L214-I217 HydrophobicContact CG-CG1 4.41Å; I217-D219 HydrophobicContact CG2-CB 3.87Å
218D97.5Very high95.1Very high68 Ų6878.6 Ų78.636%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-105.899.9165.8-173.310.8000108.2L200 H201L200-D218 CarbonylContact C-O 3.51Å; L200-D218 WeakPolarHBondContact CA-O 3.26Å; H201-D218 HydrophobicContact CB-CB 4.37Å; H201-D218 PolarHBondContact N-O 2.92Å; H201-D218 PolarHBondContact O-N 3.12Å
219D96.2Very high94.1Very high23 Ų2379.6 Ų79.612%0.12340%0.403CS..  trans-128.850.4-178.7-170.627.1000109.8T24 Q38 Y198 L200 I217 Q221T24-D219 WeakPolarHBondContact CB-OD2 3.45Å; T24-D219 VanDerWaalsContact OG1-CG 3.3Å; T24-D219 PolarHBondContact OG1-OD2 3.06Å; Q38-D219 WeakPolarHBondContact CB-OD2 3.23Å; Q38-D219 PolarHBondContact N-OD2 3.08Å; Y198-D219 WeakPolarHBondContact CE1-OD1 3.04Å; Y198-D219 PolarHBondContact OH-OD1 2.86Å; Y198-D219 PolarHBondContact OH-OD2 3.09Å; L200-D219 HydrophobicContact CD1-CB 3.69Å; I217-D219 HydrophobicContact CG2-CB 3.87Å; D219-Q221 PolarHBondContact OD1-NE2 2.95Å
220I91.5Very high92.8Very high125 Ų12581.9 Ų81.964%0.64141%0.411SS*.  trans-108.8112.6-177.2-58.6175.2000108.9Q222I220-Q222 PolarHBondContact O-N 3.17Å
221Q93.9Very high91.7Very high22 Ų2283.3 Ų83.310%0.10342%0.42CS..  trans-81.2108.8177.8-46.8-45.5-41.700109.7Y18 Y197 Y198 T199 D219 E223Y18-Q221 HydrophobicContact CD1-CG 4.13Å; Y18-Q221 HydrophobicContact CD2-CB 3.53Å; Y18-Q221 HydrophobicContact CD2-CG 3.68Å; Y18-Q221 HydrophobicContact CE1-CG 4.2Å; Y18-Q221 HydrophobicContact CE2-CB 3.41Å; Y18-Q221 VanDerWaalsContact CE2-CB 3.41Å; Y18-Q221 HydrophobicContact CE2-CG 3.72Å; Y18-Q221 HydrophobicContact CG-CB 4.26Å; Y18-Q221 HydrophobicContact CG-CG 3.89Å; Y197-Q221 PolarHBondContact O-OE1 2.91Å; Y198-Q221 HydrophobicContact CD2-CG 4.44Å; Y198-Q221 HydrophobicContact CE2-CG 4.44Å; T199-Q221 PolarHBondContact O-NE2 3.25Å; T199-Q221 PolarHBondContact O-OE1 3.09Å; D219-Q221 PolarHBondContact OD1-NE2 2.95Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.99Å
222Q89.5Confident90.9Very high190 Ų19081.4 Ų81.489%0.88840%0.396SS*.SBendtrans-65.8-32.4-176.4-65.5-175.7-17.700112.8I220I220-Q222 PolarHBondContact O-N 3.17Å
223E91.5Very high90.4Very high108 Ų10877.5 Ų77.551%0.50538%0.379SS..SBendtrans-117.1132.7-178.8-64.4-178.5-168.600109.7Y18 Q221Y18-E223 WeakPolarHBondContact CE2-O 3.35Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.99Å
224Q94.7Very high90.1Very high108 Ų10880.7 Ų80.751%0.50539%0.393SS..PPolyproline II helixtrans-71.6156.9169.7-70.5-62.6-46.300110.7I226Q224-I226 PolarHBondContact O-N 3.09Å
225P97.6Very high89.9Confident14 Ų1477.5 Ų77.59%0.09138%0.377CS..PPolyproline II helixtrans-52.5134.5172.3-27.438.1000111.7A16 Y18 F40 I194 R195 W196A16-P225 HydrophobicContact CB-CB 3.8Å; A16-P225 HydrophobicContact CB-CG 4.45Å; Y18-P225 HydrophobicContact CD2-CG 4.47Å; Y18-P225 HydrophobicContact CE1-CG 4.46Å; Y18-P225 HydrophobicContact CE2-CG 4.04Å; F40-P225 HydrophobicContact CD2-CG 3.92Å; F40-P225 HydrophobicContact CE2-CB 3.97Å; F40-P225 HydrophobicContact CE2-CG 3.61Å; I194-P225 HydrophobicContact CG2-CB 4.36Å; R195-P225 CarbonylContact O-C 3.46Å; R195-P225 WeakPolarHBondContact O-CA 3.44Å; W196-P225 HydrophobicContact CB-CB 3.97Å; W196-P225 HydrophobicContact CB-CG 4.03Å
226I96Very high89.7Confident77 Ų7770.6 Ų70.640%0.39535%0.347SS..EExtended strand (participates in β ladder)trans-99.6120.9-177.6-57.8167.9000108.5I194 R195 Y197 Q224 L228I194-I226 CarbonylContact C-O 3.55Å; I194-I226 VanDerWaalsContact CA-O 3.27Å; I194-I226 WeakPolarHBondContact CA-O 3.42Å; I194-I226 WeakPolarHBondContact CG2-O 3.49Å; R195-I226 PolarHBondContact N-O 3.21Å; R195-I226 PolarHBondContact O-N 3.05Å; Y197-I226 HydrophobicContact CE2-CD1 4.16Å; Q224-I226 PolarHBondContact O-N 3.09Å; I226-L228 HydrophobicContact CG2-CD1 4.08Å; I226-L228 WeakPolarHBondContact O-CD1 3.15Å
227I95.4Very high89.6Confident56 Ų5666.1 Ų66.129%0.28733%0.327SS..EExtended strand (participates in β ladder)trans-91.9121.6170.7-58.4167.8000107.4I14 A16 N192 I194 E229I14-I227 HydrophobicContact CB-CD1 4.02Å; I14-I227 HydrophobicContact CB-CG2 4.47Å; I14-I227 HydrophobicContact CD1-CG2 4.17Å; I14-I227 HydrophobicContact CG2-CD1 3.65Å; I14-I227 HydrophobicContact CG2-CG1 4.03Å; I14-I227 HydrophobicContact CG2-CG2 4.3Å; I14-I227 WeakPolarHBondContact O-CD1 3.47Å; A16-I227 HydrophobicContact CB-CG1 4.48Å; N192-I227 VanDerWaalsContact ND2-CG2 3.27Å; N192-I227 WeakPolarHBondContact ND2-CG2 3.36Å; I194-I227 HydrophobicContact CG1-CG1 4.33Å; I194-I227 HydrophobicContact CG2-CG1 4.35Å; I227-E229 PolarHBondContact O-N 2.94Å
228L91.6Very high89.4Confident35 Ų3563.9 Ų63.918%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-85.7114.5-178.7-74.766.4000108.4W159 N192 T193 R195 I226 D231W159-L228 HydrophobicContact CH2-CD2 4.33Å; W159-L228 HydrophobicContact CZ3-CD1 4.38Å; W159-L228 HydrophobicContact CZ3-CD2 3.81Å; N192-L228 PolarHBondContact ND2-O 2.9Å; T193-L228 HydrophobicContact CG2-CD2 4.25Å; T193-L228 PolarHBondContact O-N 3.36Å; R195-L228 HydrophobicContact CB-CD1 4.45Å; I226-L228 HydrophobicContact CG2-CD1 4.08Å; I226-L228 WeakPolarHBondContact O-CD1 3.15Å; L228-D231 WeakPolarHBondContact CD2-O 3.18Å
229E74.1Confident89.3Confident103 Ų10360.7 Ų60.748%0.48130%0.298SS..SBendtrans-87-36.8-177.3-59.2-165.1170.600113.1I227 R319I227-E229 PolarHBondContact O-N 2.94Å; E229-R319 IonicContact OE1-NH2 2.83Å; E229-R319 IonicContact OE2-CZ 3.86Å; E229-R319 VanDerWaalsContact OE2-CZ 3.24Å; E229-R319 IonicContact OE2-NH1 3.79Å; E229-R319 PolarHBondContact OE2-NH1 3.33Å; E229-R319 IonicContact OE2-NH2 2.75Å; E229-R319 PolarHBondContact OE2-NH2 3.24Å
230D66.3Low89.2Confident128 Ų12859.6 Ų59.668%0.68429%0.292SS*.SBendtrans-120.5-6.3-168.6-64.1-43.3000115.2
231D70.3Confident89.2Confident96 Ų9654.1 Ų54.151%0.51327%0.265SS..  trans-137.870.6-179.9-171.421.9000112.3L228 K233 R311L228-D231 WeakPolarHBondContact CD2-O 3.18Å; D231-K233 PolarHBondContact O-N 3.36Å; D231-R311 IonicContact OD1-CZ 3.71Å; D231-R311 VanDerWaalsContact OD1-CZ 3.31Å; D231-R311 IonicContact OD1-NH1 2.87Å; D231-R311 PolarHBondContact OD1-NH1 2.85Å; D231-R311 IonicContact OD1-NH2 3.24Å; D231-R311 PolarHBondContact OD1-NH2 2.89Å
232N78.4Confident89.2Confident17 Ų1754.6 Ų54.69%0.09127%0.27CS..  trans-58107.3176.1-88.3-34.8000111.7I190 L191 N192 T193 K234 R311I190-N232 HydrophobicContact CG2-CB 3.85Å; L191-N232 PolarHBondContact O-ND2 2.84Å; N192-N232 WeakPolarHBondContact CA-OD1 3.33Å; T193-N232 PolarHBondContact N-OD1 2.95Å; T193-N232 WeakPolarHBondContact OG1-CA 3.39Å; T193-N232 PolarHBondContact OG1-OD1 2.94Å; N232-K234 PolarHBondContact O-N 3.5Å; N232-R311 PolarHBondContact O-NE 3.42Å; N232-R311 PolarHBondContact O-NH2 3.21Å
233K84.7Confident89.5Confident66 Ų6645.7 Ų45.729%0.28723%0.228SC..PPolyproline II helixtrans-64.1130.9-178.1-167-179174.571.10109.7W159 W161 I190 T193 D231W159-K233 HydrophobicContact CD2-CD 4.1Å; W159-K233 HydrophobicContact CE3-CB 4.44Å; W159-K233 HydrophobicContact CE3-CD 3.94Å; W159-K233 HydrophobicContact CH2-CB 4.44Å; W159-K233 HydrophobicContact CH2-CD 3.46Å; W159-K233 VanDerWaalsContact CH2-CD 3.46Å; W159-K233 HydrophobicContact CZ2-CD 3.62Å; W159-K233 HydrophobicContact CZ3-CB 3.97Å; W159-K233 HydrophobicContact CZ3-CD 3.63Å; W159-K233 HydrophobicContact CZ3-CG 4.45Å; W161-K233 PolarHBondContact NE1-O 2.94Å; I190-K233 VanDerWaalsContact CD1-O 3.26Å; I190-K233 WeakPolarHBondContact CD1-O 3.49Å; T193-K233 HydrophobicContact CG2-CB 4.16Å; T193-K233 PolarHBondContact OG1-N 2.87Å; D231-K233 PolarHBondContact O-N 3.36Å
234K91.3Very high89.7Confident90 Ų9041.7 Ų41.739%0.39121%0.21SC..PPolyproline II helixtrans-59.1147.2169.1-75-173.6178.3177.30110.3N232 E307 I308N232-K234 PolarHBondContact O-N 3.5Å; K234-E307 HydrophobicContact CB-CB 3.77Å; K234-E307 HydrophobicContact CB-CG 4.33Å; K234-E307 HydrophobicContact CD-CB 4.43Å; K234-I308 WeakPolarHBondContact CA-O 3.49Å; K234-I308 WeakPolarHBondContact CB-O 3.34Å; K234-I308 WeakPolarHBondContact CG-O 3.48Å
235L92.5Very high89.8Confident0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-97.9133.4-179.567.7170.6000110.9W161 I163 V188 I190 L240 E307 I308W161-L235 HydrophobicContact CD2-CB 3.94Å; W161-L235 HydrophobicContact CE3-CB 4.41Å; W161-L235 HydrophobicContact CG-CB 4.35Å; W161-L235 HydrophobicContact CZ2-CB 4.03Å; I163-L235 HydrophobicContact CG2-CD1 4.35Å; V188-L235 HydrophobicContact CG1-CD1 4.35Å; V188-L235 HydrophobicContact CG1-CD2 3.94Å; I190-L235 HydrophobicContact CD1-CD2 3.58Å; I190-L235 HydrophobicContact CG1-CD2 3.82Å; L235-L240 HydrophobicContact CD1-CD1 3.81Å; L235-L240 HydrophobicContact CD1-CD2 3.43Å; L235-L240 VanDerWaalsContact CD1-CD2 3.43Å; L235-L240 HydrophobicContact CD1-CG 3.63Å; L235-L240 HydrophobicContact CG-CD1 4.13Å; L235-L240 HydrophobicContact CG-CG 4.3Å; L235-E307 WeakPolarHBondContact O-CA 3.44Å; L235-I308 HydrophobicContact CD2-CG1 4.37Å; L235-I308 WeakPolarHBondContact CD2-O 3.42Å; L235-I308 HydrophobicContact CG-CG1 4.47Å; L235-I308 PolarHBondContact N-O 2.9Å; L235-I308 VanDerWaalsContact N-O 3.16Å; L235-I308 PolarHBondContact O-N 2.98Å
236P95.2Very high89.7Confident0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-69.6153.2172.928.6-32000111.2K93 M94 S238 A239 D305 E307K93-P236 HydrophobicContact CB-CB 4.29Å; K93-P236 HydrophobicContact CB-CG 4.34Å; K93-P236 HydrophobicContact CD-CB 4.13Å; M94-P236 HydrophobicContact CB-CG 3.98Å; M94-P236 HydrophobicContact CE-CG 4.42Å; M94-P236 HydrophobicContact CG-CG 3.74Å; M94-P236 HydrophobicContact SD-CG 3.53Å; M94-P236 VanDerWaalsContact SD-CG 3.53Å; P236-S238 PolarHBondContact O-N 3.49Å; P236-A239 HydrophobicContact CG-CB 3.98Å; P236-A239 WeakPolarHBondContact O-CB 3.47Å; P236-A239 PolarHBondContact O-N 3.37Å; P236-D305 WeakPolarHBondContact CB-OD2 3.35Å; P236-E307 HydrophobicContact CB-CG 4.44Å
237L94.3Very high89.7Confident15 Ų1536.6 Ų36.68%0.07919%0.186CC..G310 helixtrans-61-30.6178.4-71.5171.5000112.6F181 V183 A239 L240 S241 W302 D305 K306 I308F181-L237 HydrophobicContact CE1-CD2 4.13Å; V183-L237 HydrophobicContact CB-CD2 4.28Å; V183-L237 HydrophobicContact CG2-CD1 4.39Å; V183-L237 HydrophobicContact CG2-CD2 3.56Å; L237-A239 PolarHBondContact O-N 2.68Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 2.88Å; L237-S241 PolarHBondContact O-N 3.19Å; L237-S241 PolarHBondContact O-OG 2.92Å; L237-S241 VanDerWaalsContact O-OG 3.11Å; L237-W302 HydrophobicContact CB-CB 4.28Å; L237-W302 HydrophobicContact CB-CD2 3.7Å; L237-W302 HydrophobicContact CB-CE3 4Å; L237-W302 HydrophobicContact CB-CG 3.83Å; L237-W302 HydrophobicContact CD1-CD2 4.22Å; L237-W302 HydrophobicContact CD1-CE3 3.62Å; L237-W302 HydrophobicContact CD1-CZ3 3.94Å; L237-W302 HydrophobicContact CG-CE3 4.37Å; L237-D305 PolarHBondContact N-OD1 2.87Å; L237-K306 HydrophobicContact CD1-CB 4.16Å; L237-K306 WeakPolarHBondContact CG-O 3.41Å; L237-K306 PolarHBondContact N-O 3.49Å; L237-K306 VanDerWaalsContact N-O 3.13Å; L237-I308 HydrophobicContact CD2-CD1 3.77Å; L237-I308 HydrophobicContact CD2-CG1 4.18Å; L237-I308 HydrophobicContact CD2-CG2 4.19Å; L237-I308 HydrophobicContact CG-CG2 4.48Å
238S95.3Very high89.8Confident1 Ų134 Ų341%0.00717%0.173CC..G310 helixtrans-64.1-26.4174.776.50000113.7H92 M94 P236 L240 D305H92-S238 WeakPolarHBondContact ND1-CB 3.46Å; M94-S238 PolarHBondContact N-OG 2.86Å; M94-S238 WeakPolarHBondContact O-CB 3.25Å; M94-S238 PolarHBondContact O-OG 3.25Å; P236-S238 PolarHBondContact O-N 3.49Å; S238-L240 PolarHBondContact O-N 2.96Å; S238-D305 WeakPolarHBondContact CB-OD1 3.32Å; S238-D305 WeakPolarHBondContact CB-OD2 3.37Å; S238-D305 PolarHBondContact N-OD1 3.32Å; S238-D305 PolarHBondContact OG-OD2 3.28Å
239A95.6Very high90Very high0 Ų034.6 Ų34.60%018%0.175CC..G310 helixtrans-73.5-14173.200000112.4V62 A64 M94 N96 W161 P236 L237V62-A239 WeakPolarHBondContact CG1-O 3.24Å; A64-A239 HydrophobicContact CB-CB 3.62Å; M94-A239 HydrophobicContact CB-CB 4.49Å; N96-A239 PolarHBondContact ND2-O 2.8Å; W161-A239 HydrophobicContact CH2-CB 4.38Å; W161-A239 HydrophobicContact CZ3-CB 4.08Å; P236-A239 HydrophobicContact CG-CB 3.98Å; P236-A239 WeakPolarHBondContact O-CB 3.47Å; P236-A239 PolarHBondContact O-N 3.37Å; L237-A239 PolarHBondContact O-N 2.68Å
240L93.4Very high91.1Very high1 Ų129.7 Ų29.71%0.00515%0.152CC..G310 helixtrans-103-1.9-177.2-69.6173000114.3Y103 P104 I163 F181 V188 L235 L237 S238 I308Y103-L240 WeakPolarHBondContact CB-O 3.4Å; P104-L240 HydrophobicContact CB-CB 4.23Å; P104-L240 HydrophobicContact CB-CD2 3.32Å; P104-L240 HydrophobicContact CB-CG 4.36Å; P104-L240 HydrophobicContact CG-CD2 3.54Å; I163-L240 HydrophobicContact CD1-CD2 4.14Å; F181-L240 HydrophobicContact CD1-CB 3.82Å; F181-L240 HydrophobicContact CD1-CD1 3.79Å; F181-L240 HydrophobicContact CD1-CG 4.35Å; F181-L240 HydrophobicContact CE1-CB 4.32Å; F181-L240 HydrophobicContact CE1-CD1 3.54Å; F181-L240 HydrophobicContact CG-CB 4.45Å; F181-L240 HydrophobicContact CG-CD1 4.4Å; F181-L240 HydrophobicContact CZ-CD1 3.97Å; V188-L240 HydrophobicContact CG2-CD1 4.23Å; L235-L240 HydrophobicContact CD1-CD1 3.81Å; L235-L240 HydrophobicContact CD1-CD2 3.43Å; L235-L240 VanDerWaalsContact CD1-CD2 3.43Å; L235-L240 HydrophobicContact CD1-CG 3.63Å; L235-L240 HydrophobicContact CG-CD1 4.13Å; L235-L240 HydrophobicContact CG-CG 4.3Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 2.88Å; S238-L240 PolarHBondContact O-N 2.96Å; L240-I308 HydrophobicContact CD1-CD1 3.63Å; L240-I308 HydrophobicContact CD1-CG1 4.1Å
241S91.3Very high92.5Very high9 Ų924.4 Ų24.46%0.06312%0.124CC..SBendtrans-143.7164.4-161.8-56.50000112.1Y103 L237 W302Y103-S241 WeakPolarHBondContact CE1-O 3.38Å; L237-S241 PolarHBondContact O-N 3.19Å; L237-S241 PolarHBondContact O-OG 2.92Å; L237-S241 VanDerWaalsContact O-OG 3.11Å; S241-W302 WeakPolarHBondContact OG-CZ2 3.43Å; S241-W302 PolarHBondContact OG-NE1 2.85Å; S241-W302 VanDerWaalsContact OG-NE1 3.14Å
242P93.6Very high93.7Very high33 Ų3319.8 Ų19.821%0.21410%0.099CC..SBendtrans-56.3151.5167.3-20.328.3000112.6Y103 V299Y103-P242 HydrophobicContact CD1-CG 4.49Å; Y103-P242 HydrophobicContact CD2-CG 3.95Å; Y103-P242 HydrophobicContact CE1-CB 4.29Å; Y103-P242 HydrophobicContact CE1-CG 4.14Å; Y103-P242 VanDerWaalsContact CE1-N 3.32Å; Y103-P242 HydrophobicContact CE2-CB 4.23Å; Y103-P242 HydrophobicContact CE2-CG 3.56Å; Y103-P242 HydrophobicContact CG-CG 4.4Å; P242-V299 HydrophobicContact CB-CB 4.19Å; P242-V299 HydrophobicContact CB-CG1 4.12Å; P242-V299 HydrophobicContact CB-CG2 4.24Å
243P96Very high94.4Very high2 Ų219.2 Ų19.21%0.01310%0.096CC..PPolyproline II helixcis-81.7157.5-135-36000112.5P86 V95 A248 Q270 I272 V299P86-P243 HydrophobicContact CG-CG 4.04Å; V95-P243 WeakPolarHBondContact CG1-O 2.99Å; P243-A248 HydrophobicContact CB-CB 3.94Å; P243-A248 HydrophobicContact CG-CB 3.78Å; P243-Q270 VanDerWaalsContact CA-OE1 3.26Å; P243-Q270 HydrophobicContact CB-CB 3.82Å; P243-I272 HydrophobicContact CG-CG2 4.09Å; P243-V299 HydrophobicContact CB-CG2 4.35Å; P243-V299 HydrophobicContact CG-CG2 4.49Å
244H95.5Very high94.8Very high24 Ų2418.2 Ų18.211%0.1119%0.091CC..BIsolated β-bridgetrans-88162.1164.666.4-84.9000110.6N96 G100 Y103 N246 A247 A248N96-H244 CarbonylContact O-C 3.33Å; N96-H244 WeakPolarHBondContact O-CA 3.36Å; N96-H244 WeakPolarHBondContact O-CB 3.45Å; G100-H244 VanDerWaalsContact CA-ND1 3.31Å; G100-H244 WeakPolarHBondContact CA-ND1 3.21Å; Y103-H244 HydrophobicContact CE1-CB 4.09Å; Y103-H244 WeakPolarHBondContact OH-CB 3.49Å; Y103-H244 PolarHBondContact OH-N 3.33Å; Y103-H244 PolarHBondContact OH-ND1 3.42Å; H244-N246 PolarHBondContact CD2-N 2.51Å; H244-N246 PolarHBondContact O-N 3.39Å; H244-A247 WeakPolarHBondContact CE1-CB 3.21Å; H244-A247 PolarHBondContact NE2-N 3.03Å; H244-A247 PolarHBondContact O-N 2.6Å; H244-A248 PolarHBondContact O-N 2.9Å
245C96.9Very high94.8Very high5 Ų514.9 Ų14.93%0.0348%0.078CC..Hα-helixtrans-46.8-54.1-176-67.30000113F84 N96 D97 A247 A248 Q249F84-C245 HydrophobicContact CE2-CB 3.82Å; F84-C245 VanDerWaalsContact CE2-SG 3.57Å; F84-C245 HydrophobicContact CZ-CB 3.64Å; N96-C245 PolarHBondContact O-N 3.05Å; N96-C245 PolarHBondContact O-SG 2.94Å; N96-C245 VanDerWaalsContact O-SG 3.37Å; D97-C245 WeakPolarHBondContact OD1-CB 3.08Å; D97-C245 PolarHBondContact OD1-SG 2.86Å; C245-A247 PolarHBondContact O-N 2.98Å; C245-A248 PolarHBondContact O-N 3.49Å; C245-Q249 WeakPolarHBondContact O-CB 3.41Å; C245-Q249 PolarHBondContact O-N 2.88Å
246N95.1Very high94.7Very high85 Ų8519.8 Ų19.846%0.45511%0.105SC..Hα-helixtrans-63.3-24.4-178.8-68.7-51000114.2H244H244-N246 PolarHBondContact CD2-N 2.51Å; H244-N246 PolarHBondContact O-N 3.39Å
247A96.8Very high94.4Very high2 Ų223.3 Ų23.32%0.01712%0.123CC..Hα-helixtrans-88.5-32.4175.700000113H244 C245 K269 Q270H244-A247 WeakPolarHBondContact CE1-CB 3.21Å; H244-A247 PolarHBondContact NE2-N 3.03Å; H244-A247 PolarHBondContact O-N 2.6Å; C245-A247 PolarHBondContact O-N 2.98Å; A247-K269 HydrophobicContact CB-CB 4.23Å; A247-K269 PolarHBondContact O-N 3.24Å; A247-Q270 HydrophobicContact CB-CB 4.01Å; A247-Q270 HydrophobicContact CB-CG 3.92Å; A247-Q270 PolarHBondContact O-N 3.44Å
248A97.6Very high93.8Very high1 Ų130.2 Ų30.21%0.00816%0.159CC..Hα-helixtrans-76.1-25.7179.500000113.2F84 V95 P243 H244 C245F84-A248 HydrophobicContact CG-CB 4.48Å; V95-A248 HydrophobicContact CG1-CB 4.02Å; P243-A248 HydrophobicContact CB-CB 3.94Å; P243-A248 HydrophobicContact CG-CB 3.78Å; H244-A248 PolarHBondContact O-N 2.9Å; C245-A248 PolarHBondContact O-N 3.49Å
249Q96.7Very high93.3Very high48 Ų4840.5 Ų40.522%0.22420%0.197CC..EExtended strand (participates in β ladder)trans-67.8139.6-171.473.2-175.3-5.200114W82 F84 C245 P268W82-Q249 HydrophobicContact CE3-CB 3.87Å; W82-Q249 HydrophobicContact CE3-CG 3.85Å; W82-Q249 HydrophobicContact CZ3-CB 4.16Å; W82-Q249 HydrophobicContact CZ3-CG 3.64Å; F84-Q249 HydrophobicContact CD1-CB 3.77Å; F84-Q249 HydrophobicContact CE1-CB 3.49Å; F84-Q249 VanDerWaalsContact CE1-CB 3.49Å; C245-Q249 WeakPolarHBondContact O-CB 3.41Å; C245-Q249 PolarHBondContact O-N 2.88Å; Q249-P268 VanDerWaalsContact O-CA 3.31Å; Q249-P268 WeakPolarHBondContact O-CA 3.41Å
250S96.8Very high92.9Very high0 Ų043.9 Ų43.90%022%0.216CC..EExtended strand (participates in β ladder)trans-131.4146.3170.761.80000110.2W82 E83 I266W82-S250 CarbonylContact C-O 3.53Å; W82-S250 VanDerWaalsContact CA-O 3.32Å; W82-S250 WeakPolarHBondContact CA-O 3.24Å; E83-S250 PolarHBondContact N-O 3.42Å; E83-S250 PolarHBondContact O-N 3.3Å; E83-S250 PolarHBondContact O-OG 2.98Å; S250-I266 CarbonylContact C-O 3.55Å; S250-I266 VanDerWaalsContact CA-O 3.24Å; S250-I266 WeakPolarHBondContact CA-O 3.45Å; S250-I266 WeakPolarHBondContact CB-O 3.43Å
251L95.8Very high92.5Very high17 Ų1747.5 Ų47.59%0.08923%0.232CC..EExtended strand (participates in β ladder)trans-106.6116.6175.8-172.864.9000109.1L81 W82 I265 I266L81-L251 WeakPolarHBondContact O-CA 3.21Å; W82-L251 HydrophobicContact CD2-CB 4.11Å; W82-L251 HydrophobicContact CD2-CD1 3.82Å; W82-L251 HydrophobicContact CE3-CB 3.9Å; W82-L251 HydrophobicContact CE3-CD1 4.45Å; W82-L251 HydrophobicContact CG-CD1 3.88Å; W82-L251 HydrophobicContact CH2-CB 4.04Å; W82-L251 HydrophobicContact CZ2-CB 4.21Å; W82-L251 HydrophobicContact CZ2-CD1 4.42Å; W82-L251 HydrophobicContact CZ2-CD2 4.23Å; W82-L251 HydrophobicContact CZ3-CB 3.86Å; L251-I265 HydrophobicContact CB-CB 4.45Å; L251-I265 HydrophobicContact CD2-CB 4.29Å; L251-I265 HydrophobicContact CD2-CD1 4.37Å; L251-I265 HydrophobicContact CD2-CG2 4.24Å; L251-I265 HydrophobicContact CG-CB 4.36Å; L251-I265 HydrophobicContact CG-CD1 4.47Å; L251-I265 PolarHBondContact O-N 2.81Å; L251-I266 HydrophobicContact CB-CB 3.73Å; L251-I266 HydrophobicContact CB-CD1 4.1Å; L251-I266 HydrophobicContact CB-CG1 3.95Å; L251-I266 HydrophobicContact CD2-CD1 3.85Å; L251-I266 HydrophobicContact CD2-CG1 4.21Å; L251-I266 PolarHBondContact N-O 3.13Å; L251-I266 PolarHBondContact O-N 2.64Å; L251-I266 VanDerWaalsContact O-N 3.12Å
252I94.3Very high92.5Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-117.5130.8-180-58.9177.1000109.4T80 L81 Y254 P262 K263 L264 M282 L284T80-I252 CarbonylContact C-O 3.46Å; T80-I252 VanDerWaalsContact CA-O 3.23Å; T80-I252 WeakPolarHBondContact CA-O 3.18Å; L81-I252 PolarHBondContact N-O 2.98Å; L81-I252 PolarHBondContact O-N 3.06Å; I252-Y254 HydrophobicContact CB-CD2 4.32Å; I252-Y254 HydrophobicContact CB-CE2 3.59Å; I252-Y254 HydrophobicContact CG2-CD2 4.04Å; I252-Y254 HydrophobicContact CG2-CE1 4.02Å; I252-Y254 HydrophobicContact CG2-CE2 3.48Å; I252-Y254 VanDerWaalsContact CG2-CE2 3.48Å; I252-Y254 VanDerWaalsContact CG2-CZ 3.44Å; I252-Y254 WeakPolarHBondContact O-CD2 3.36Å; I252-P262 HydrophobicContact CG2-CB 4.12Å; I252-K263 CarbonylContact C-O 3.59Å; I252-K263 WeakPolarHBondContact CA-O 3.35Å; I252-L264 HydrophobicContact CD1-CD1 4.41Å; I252-L264 HydrophobicContact CG1-CD1 3.72Å; I252-M282 HydrophobicContact CD1-CB 4.17Å; I252-M282 HydrophobicContact CD1-CE 3.57Å; I252-L284 HydrophobicContact CD1-CD1 4.03Å; I252-L284 HydrophobicContact CD1-CG 4.43Å; I252-L284 HydrophobicContact CG2-CD2 4.08Å
253W93Very high92.3Very high5 Ų552.2 Ų52.22%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-80.4129.6168.9172.1-118.9000110.5Y74 S79 T80 L141 Y144 P255 P262 K263 I265Y74-W253 AromaticContact CD2-CZ3 3.76Å; Y74-W253 HydrophobicContact CD2-CZ3 3.76Å; Y74-W253 HydrophobicContact CE2-CZ3 4.41Å; Y74-W253 HydrophobicContact CG-CZ3 4.33Å; S79-W253 VanDerWaalsContact CA-CZ3 3.49Å; T80-W253 HydrophobicContact CG2-CB 4.41Å; T80-W253 HydrophobicContact CG2-CE3 3.71Å; T80-W253 HydrophobicContact CG2-CZ3 4.45Å; L141-W253 HydrophobicContact CD1-CD2 3.73Å; L141-W253 HydrophobicContact CD1-CE3 3.52Å; L141-W253 HydrophobicContact CD1-CH2 3.31Å; L141-W253 HydrophobicContact CD1-CZ2 3.54Å; L141-W253 HydrophobicContact CD1-CZ3 3.3Å; L141-W253 HydrophobicContact CD2-CD2 4.36Å; L141-W253 HydrophobicContact CD2-CE3 3.8Å; L141-W253 HydrophobicContact CD2-CZ3 4.08Å; L141-W253 HydrophobicContact CG-CE3 4.31Å; L141-W253 HydrophobicContact CG-CZ3 4.24Å; Y144-W253 AromaticContact CE2-CD1 3.99Å; Y144-W253 AromaticContact CE2-NE1 3.94Å; Y144-W253 AromaticContact CZ-NE1 3.82Å; W253-P255 HydrophobicContact CZ2-CB 4.12Å; W253-P262 CarbonylContact O-C 3.48Å; W253-P262 WeakPolarHBondContact O-CA 3.23Å; W253-P262 WeakPolarHBondContact O-CB 3.35Å; W253-K263 HydrophobicContact CB-CB 4.38Å; W253-K263 PolarHBondContact N-O 2.81Å; W253-K263 PolarHBondContact O-N 3.29Å; W253-I265 HydrophobicContact CB-CD1 3.88Å; W253-I265 HydrophobicContact CB-CG1 4.19Å
254Y93Very high92.1Very high44 Ų4453.7 Ų53.717%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-119.699.7174.7-68-81.4000108.9G78 S79 L81 E83 K88 I252 P262G78-Y254 VanDerWaalsContact CA-O 3.31Å; G78-Y254 WeakPolarHBondContact CA-O 3.36Å; S79-Y254 PolarHBondContact N-O 2.66Å; S79-Y254 PolarHBondContact O-N 2.83Å; L81-Y254 HydrophobicContact CB-CD2 4.28Å; L81-Y254 HydrophobicContact CB-CE2 4.11Å; L81-Y254 HydrophobicContact CD1-CD2 3.4Å; L81-Y254 HydrophobicContact CD1-CE2 3.98Å; L81-Y254 HydrophobicContact CD1-CG 4.21Å; L81-Y254 HydrophobicContact CG-CD2 4.41Å; E83-Y254 PolarHBondContact OE2-OH 3.47Å; K88-Y254 PolarHBondContact NZ-OH 2.92Å; I252-Y254 HydrophobicContact CB-CD2 4.32Å; I252-Y254 HydrophobicContact CB-CE2 3.59Å; I252-Y254 HydrophobicContact CG2-CD2 4.04Å; I252-Y254 HydrophobicContact CG2-CE1 4.02Å; I252-Y254 HydrophobicContact CG2-CE2 3.48Å; I252-Y254 VanDerWaalsContact CG2-CE2 3.48Å; I252-Y254 VanDerWaalsContact CG2-CZ 3.44Å; I252-Y254 WeakPolarHBondContact O-CD2 3.36Å; Y254-P262 HydrophobicContact CD1-CB 3.82Å; Y254-P262 HydrophobicContact CD1-CG 3.79Å; Y254-P262 HydrophobicContact CE1-CB 3.82Å; Y254-P262 HydrophobicContact CE1-CG 3.96Å
255P92Very high91.9Very high21 Ų2155.2 Ų55.214%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-71.2144.817728.3-32.2000111.2W253 N257 D260W253-P255 HydrophobicContact CZ2-CB 4.12Å; P255-N257 VanDerWaalsContact C-N 3.32Å; P255-D260 HydrophobicContact CB-CB 3.68Å; P255-D260 HydrophobicContact CG-CB 3.45Å; P255-D260 VanDerWaalsContact CG-CB 3.45Å; P255-D260 WeakPolarHBondContact CG-O 3.29Å
256N91.2Very high91.8Very high103 Ų10358.1 Ų58.155%0.55128%0.283SS*.SBendtrans-72-29.2173.1-76-16.9000112.3N76 Y77 G78 I258N76-N256 PolarHBondContact O-ND2 2.75Å; Y77-N256 PolarHBondContact O-N 2.77Å; G78-N256 WeakPolarHBondContact CA-OD1 3.49Å; G78-N256 PolarHBondContact N-ND2 3.35Å; N256-I258 PolarHBondContact O-N 2.83Å
257N88.8Confident91.8Very high74 Ų7455.9 Ų55.940%0.39627%0.273SS..SBendtrans-70.7113175.2176.79.4000109.6P255 R259 D260P255-N257 VanDerWaalsContact C-N 3.32Å; N257-R259 PolarHBondContact O-N 2.89Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 2.98Å; N257-R259 VanDerWaalsContact OD1-N 3.15Å; N257-D260 HydrophobicContact CB-CB 4.46Å; N257-D260 WeakPolarHBondContact CB-OD2 3.36Å; N257-D260 PolarHBondContact ND2-OD2 2.8Å; N257-D260 WeakPolarHBondContact O-CB 3.44Å; N257-D260 PolarHBondContact O-N 2.86Å
258I81.9Confident91.8Very high160 Ų16055.9 Ų55.982%0.82127%0.273SS*.THydrogen-bonded Turntrans-60.1-17.6-177.2-159.1162.2000114.5N256 D260N256-I258 PolarHBondContact O-N 2.83Å; I258-D260 VanDerWaalsContact C-N 3.35Å
259R84.9Confident91.8Very high216 Ų21662.2 Ų62.282%0.81530%0.3SS*.THydrogen-bonded Turntrans-78.4-24175.3-61.4-176.1-179.9-166.80.5112.4N257N257-R259 PolarHBondContact O-N 2.89Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 2.98Å; N257-R259 VanDerWaalsContact OD1-N 3.15Å
260D85.9Confident91.8Very high72 Ų7261.7 Ų61.739%0.38530%0.298SS..SBendtrans-87.2142.1178.9-62.2-36.9000109.4P255 N257 I258P255-D260 HydrophobicContact CB-CB 3.68Å; P255-D260 HydrophobicContact CG-CB 3.45Å; P255-D260 VanDerWaalsContact CG-CB 3.45Å; P255-D260 WeakPolarHBondContact CG-O 3.29Å; N257-D260 HydrophobicContact CB-CB 4.46Å; N257-D260 WeakPolarHBondContact CB-OD2 3.36Å; N257-D260 PolarHBondContact ND2-OD2 2.8Å; N257-D260 WeakPolarHBondContact O-CB 3.44Å; N257-D260 PolarHBondContact O-N 2.86Å; I258-D260 VanDerWaalsContact C-N 3.35Å
261E86.3Confident91.9Very high76 Ų7661.8 Ų61.836%0.35530%0.298SS..PPolyproline II helixtrans-95.3148.3-177.4-60.1-172.2158.900111.1R286E261-R286 VanDerWaalsContact CD-CB 3.48Å; E261-R286 WeakPolarHBondContact OE1-CB 3.33Å; E261-R286 WeakPolarHBondContact OE1-CD 3.28Å; E261-R286 IonicContact OE1-NH1 2.87Å; E261-R286 WeakPolarHBondContact OE2-CB 3.45Å
262P90.1Very high92Very high40 Ų4061.2 Ų61.226%0.2630%0.295SS..PPolyproline II helixtrans-58.3143.9170.8-23.533.9000111.9I252 W253 Y254 L284I252-P262 HydrophobicContact CG2-CB 4.12Å; W253-P262 CarbonylContact O-C 3.48Å; W253-P262 WeakPolarHBondContact O-CA 3.23Å; W253-P262 WeakPolarHBondContact O-CB 3.35Å; Y254-P262 HydrophobicContact CD1-CB 3.82Å; Y254-P262 HydrophobicContact CD1-CG 3.79Å; Y254-P262 HydrophobicContact CE1-CB 3.82Å; Y254-P262 HydrophobicContact CE1-CG 3.96Å; P262-L284 HydrophobicContact CB-CD2 3.88Å
263K89.7Confident92.1Very high102 Ų10261.3 Ų61.344%0.44330%0.296SS..EExtended strand (participates in β ladder)trans-129.7131.2-177.1-69.1-178.7-177.9173.50111.5Y144 I252 W253 I265Y144-K263 HydrophobicContact CE2-CD 4.43Å; Y144-K263 WeakPolarHBondContact OH-CD 3.39Å; Y144-K263 VanDerWaalsContact OH-CE 3.24Å; Y144-K263 WeakPolarHBondContact OH-CE 3.49Å; Y144-K263 PolarHBondContact OH-NZ 3.04Å; I252-K263 CarbonylContact C-O 3.59Å; I252-K263 WeakPolarHBondContact CA-O 3.35Å; W253-K263 HydrophobicContact CB-CB 4.38Å; W253-K263 PolarHBondContact N-O 2.81Å; W253-K263 PolarHBondContact O-N 3.29Å; K263-I265 PolarHBondContact O-N 2.67Å
264L92.1Very high92.1Very high32 Ų3264.2 Ų64.217%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-73.7114.9170.7-175.263.4000110.1I252 I266 P267 W275 W278 L284 M290I252-L264 HydrophobicContact CD1-CD1 4.41Å; I252-L264 HydrophobicContact CG1-CD1 3.72Å; L264-I266 VanDerWaalsContact CD1-O 3.27Å; L264-I266 WeakPolarHBondContact CD1-O 3.23Å; L264-P267 HydrophobicContact CD2-CB 3.8Å; L264-P267 HydrophobicContact CG-CB 4.45Å; L264-W275 HydrophobicContact CD2-CH2 3.75Å; L264-W275 HydrophobicContact CD2-CZ2 4.23Å; L264-W278 HydrophobicContact CD1-CH2 3.81Å; L264-W278 HydrophobicContact CD1-CZ3 4.44Å; L264-W278 HydrophobicContact CD2-CH2 4.01Å; L264-W278 HydrophobicContact CD2-CZ3 3.94Å; L264-L284 HydrophobicContact CB-CD1 4Å; L264-M290 HydrophobicContact CB-CE 3.26Å; L264-M290 HydrophobicContact CB-SD 4.23Å; L264-M290 HydrophobicContact CD2-CE 3.23Å; L264-M290 HydrophobicContact CG-CE 3.86Å
265I91.6Very high92.2Very high56 Ų5663.5 Ų63.529%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-88-50.3175.5-58.8175.8000109.5T80 L141 P142 L251 W253 K263T80-I265 HydrophobicContact CG2-CD1 3.56Å; L141-I265 HydrophobicContact CD2-CD1 4.24Å; P142-I265 HydrophobicContact CG-CG2 4.27Å; L251-I265 HydrophobicContact CB-CB 4.45Å; L251-I265 HydrophobicContact CD2-CB 4.29Å; L251-I265 HydrophobicContact CD2-CD1 4.37Å; L251-I265 HydrophobicContact CD2-CG2 4.24Å; L251-I265 HydrophobicContact CG-CB 4.36Å; L251-I265 HydrophobicContact CG-CD1 4.47Å; L251-I265 PolarHBondContact O-N 2.81Å; W253-I265 HydrophobicContact CB-CD1 3.88Å; W253-I265 HydrophobicContact CB-CG1 4.19Å; K263-I265 PolarHBondContact O-N 2.67Å
266I93.1Very high92.2Very high67 Ų6766.7 Ų66.734%0.34434%0.335SS..EExtended strand (participates in β ladder)trans-122.4114.3-178.9-58.1177.3000108.5W82 S250 L251 L264W82-I266 HydrophobicContact CH2-CB 4.23Å; W82-I266 HydrophobicContact CH2-CD1 3.48Å; W82-I266 VanDerWaalsContact CH2-CD1 3.48Å; W82-I266 HydrophobicContact CH2-CG1 4.41Å; W82-I266 HydrophobicContact CH2-CG2 4.15Å; W82-I266 HydrophobicContact CZ2-CD1 3.92Å; W82-I266 HydrophobicContact CZ3-CB 4.31Å; W82-I266 HydrophobicContact CZ3-CD1 4.38Å; W82-I266 HydrophobicContact CZ3-CG2 4.22Å; S250-I266 CarbonylContact C-O 3.55Å; S250-I266 VanDerWaalsContact CA-O 3.24Å; S250-I266 WeakPolarHBondContact CA-O 3.45Å; S250-I266 WeakPolarHBondContact CB-O 3.43Å; L251-I266 HydrophobicContact CB-CB 3.73Å; L251-I266 HydrophobicContact CB-CD1 4.1Å; L251-I266 HydrophobicContact CB-CG1 3.95Å; L251-I266 HydrophobicContact CD2-CD1 3.85Å; L251-I266 HydrophobicContact CD2-CG1 4.21Å; L251-I266 PolarHBondContact N-O 3.13Å; L251-I266 PolarHBondContact O-N 2.64Å; L251-I266 VanDerWaalsContact O-N 3.12Å; L264-I266 VanDerWaalsContact CD1-O 3.27Å; L264-I266 WeakPolarHBondContact CD1-O 3.23Å
267P95.3Very high92.3Very high37 Ų3764.8 Ų64.824%0.2432%0.324CS..  trans-76.1155.5175.432.9-35.7000111.8L264 W275 P293L264-P267 HydrophobicContact CD2-CB 3.8Å; L264-P267 HydrophobicContact CG-CB 4.45Å; P267-W275 HydrophobicContact CB-CH2 4.34Å; P267-P293 HydrophobicContact CB-CG 3.42Å; P267-P293 VanDerWaalsContact CB-CG 3.42Å; P267-P293 HydrophobicContact CG-CB 4.28Å; P267-P293 HydrophobicContact CG-CG 3.41Å; P267-P293 VanDerWaalsContact CG-CG 3.41Å
268P97.4Very high92.6Very high2 Ų261.3 Ų61.31%0.01331%0.306CS..  trans-70152.3175.732.8-36.7000111.7Q249 I271 W275 W278 C296Q249-P268 VanDerWaalsContact O-CA 3.31Å; Q249-P268 WeakPolarHBondContact O-CA 3.41Å; P268-I271 HydrophobicContact CB-CG2 4.18Å; P268-I271 HydrophobicContact CG-CG2 3.43Å; P268-I271 VanDerWaalsContact CG-CG2 3.43Å; P268-W275 HydrophobicContact CG-CZ3 4.34Å; P268-W278 HydrophobicContact CG-CH2 4.43Å; P268-W278 HydrophobicContact CG-CZ2 3.68Å; P268-C296 PolarHBondContact O-SG 2.89Å
269K97.8Very high93.1Very high134 Ų13454.3 Ų54.358%0.58327%0.27SS*.SBendtrans-81.7-28.8173-63.9178-178.9171.60111.8A247 C296 K297A247-K269 HydrophobicContact CB-CB 4.23Å; A247-K269 PolarHBondContact O-N 3.24Å; K269-C296 CarbonylContact O-C 3.57Å; K269-C296 WeakPolarHBondContact O-CA 3.32Å; K269-K297 PolarHBondContact O-N 3.13Å
270Q97.6Very high93.4Very high37 Ų3747.8 Ų47.817%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-134.3140.1177-69.3176.6-9.300110.5P243 A247 K297 V299P243-Q270 VanDerWaalsContact CA-OE1 3.26Å; P243-Q270 HydrophobicContact CB-CB 3.82Å; A247-Q270 HydrophobicContact CB-CB 4.01Å; A247-Q270 HydrophobicContact CB-CG 3.92Å; A247-Q270 PolarHBondContact O-N 3.44Å; Q270-K297 CarbonylContact C-O 3.45Å; Q270-K297 VanDerWaalsContact CA-O 3.26Å; Q270-K297 WeakPolarHBondContact CA-O 3.48Å; Q270-K297 HydrophobicContact CG-CB 4.38Å; Q270-V299 HydrophobicContact CB-CG1 4.24Å; Q270-V299 HydrophobicContact CB-CG2 4.37Å; Q270-V299 HydrophobicContact CG-CG1 4.03Å
271I97.8Very high93.8Very high2 Ų246.1 Ų46.11%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-129.7152175.758.6-177.9000109P268 V273 W275 W278 K297 L298 V299P268-I271 HydrophobicContact CB-CG2 4.18Å; P268-I271 HydrophobicContact CG-CG2 3.43Å; P268-I271 VanDerWaalsContact CG-CG2 3.43Å; I271-V273 WeakPolarHBondContact CD1-O 3.45Å; I271-V273 WeakPolarHBondContact CG1-O 3.28Å; I271-W275 HydrophobicContact CD1-CB 4.35Å; I271-W275 HydrophobicContact CD1-CE3 4.05Å; I271-W278 VanDerWaalsContact CG2-CD1 3.45Å; I271-W278 HydrophobicContact CG2-CD2 4.48Å; I271-W278 HydrophobicContact CG2-CG 4Å; I271-K297 PolarHBondContact N-O 3.27Å; I271-L298 HydrophobicContact CG1-CD1 4.15Å; I271-L298 CarbonylContact O-C 3.53Å; I271-L298 WeakPolarHBondContact O-CA 3.29Å; I271-L298 WeakPolarHBondContact O-CD1 3.31Å; I271-V299 WeakPolarHBondContact O-CG2 3.31Å; I271-V299 PolarHBondContact O-N 2.84Å
272I97.2Very high94.1Very high5 Ų542.5 Ų42.53%0.02623%0.225CC..SBendtrans-98.5-10.6-179.356.2162.6000112.8P86 R91 P243 V299 E301P86-I272 HydrophobicContact CB-CD1 3.85Å; P86-I272 HydrophobicContact CG-CD1 3.97Å; P86-I272 HydrophobicContact CG-CG1 4.15Å; P86-I272 HydrophobicContact CG-CG2 4.26Å; R91-I272 HydrophobicContact CB-CD1 3.71Å; P243-I272 HydrophobicContact CG-CG2 4.09Å; I272-V299 HydrophobicContact CG2-CG2 3.91Å; I272-E301 HydrophobicContact CB-CB 4.27Å; I272-E301 HydrophobicContact CD1-CG 4.38Å; I272-E301 WeakPolarHBondContact O-CB 3.1Å
273V96.4Very high93.8Very high2 Ų244.8 Ų44.81%0.01224%0.238CC..SBendtrans-128.7158.8179.2-640000110.7H85 I271 I277 W278 L298H85-V273 WeakPolarHBondContact CE1-CG2 3.49Å; I271-V273 WeakPolarHBondContact CD1-O 3.45Å; I271-V273 WeakPolarHBondContact CG1-O 3.28Å; V273-I277 HydrophobicContact CB-CB 4.18Å; V273-I277 HydrophobicContact CB-CG2 4.09Å; V273-I277 HydrophobicContact CG1-CG2 4.44Å; V273-I277 HydrophobicContact CG2-CB 4.03Å; V273-I277 HydrophobicContact CG2-CG2 3.94Å; V273-W278 HydrophobicContact CG2-CB 3.96Å; V273-L298 VanDerWaalsContact C-CD1 3.47Å; V273-L298 WeakPolarHBondContact O-CD1 3.43Å
274P94.9Very high93.3Very high66 Ų6640.1 Ų40.143%0.42922%0.218SC..  trans-48.7143.5169.1-28.634.7000112.8S276 I277 W278P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 2.84Å; P274-S276 VanDerWaalsContact O-N 3.15Å; P274-I277 HydrophobicContact CB-CG1 4.48Å; P274-I277 HydrophobicContact CG-CD1 4.29Å; P274-I277 WeakPolarHBondContact O-CA 3.45Å; P274-I277 WeakPolarHBondContact O-CB 3.24Å; P274-I277 PolarHBondContact O-N 2.82Å; P274-W278 PolarHBondContact O-N 2.78Å
275W94Very high92Very high30 Ų3042.2 Ų42.211%0.11423%0.23CC..Hα-helixtrans-55.5-36.8-173.8-179.2-106.7000114.6L264 P267 P268 I271 I277 W278 I279 M290 R292L264-W275 HydrophobicContact CD2-CH2 3.75Å; L264-W275 HydrophobicContact CD2-CZ2 4.23Å; P267-W275 HydrophobicContact CB-CH2 4.34Å; P268-W275 HydrophobicContact CG-CZ3 4.34Å; I271-W275 HydrophobicContact CD1-CB 4.35Å; I271-W275 HydrophobicContact CD1-CE3 4.05Å; W275-I277 VanDerWaalsContact C-N 3.31Å; W275-I277 PolarHBondContact O-N 2.95Å; W275-W278 HydrophobicContact CE3-CB 4.46Å; W275-W278 HydrophobicContact CE3-CD2 4.23Å; W275-W278 AromaticContact CE3-CE3 3.99Å; W275-W278 HydrophobicContact CE3-CE3 3.99Å; W275-W278 HydrophobicContact CE3-CG 4.43Å; W275-W278 AromaticContact CH2-CE3 3.83Å; W275-W278 HydrophobicContact CH2-CE3 3.83Å; W275-W278 AromaticContact CH2-CZ3 3.79Å; W275-W278 HydrophobicContact CH2-CZ3 3.79Å; W275-W278 HydrophobicContact CZ2-CE3 4.41Å; W275-W278 HydrophobicContact CZ2-CZ3 4.44Å; W275-W278 AromaticContact CZ3-CD2 3.95Å; W275-W278 HydrophobicContact CZ3-CD2 3.95Å; W275-W278 AromaticContact CZ3-CE3 3.59Å; W275-W278 HydrophobicContact CZ3-CE3 3.59Å; W275-W278 AromaticContact CZ3-CZ3 3.95Å; W275-W278 HydrophobicContact CZ3-CZ3 3.95Å; W275-W278 WeakPolarHBondContact O-CB 3.09Å; W275-W278 PolarHBondContact O-N 2.89Å; W275-I279 HydrophobicContact CD2-CG1 4.23Å; W275-I279 HydrophobicContact CG-CG1 4.43Å; W275-I279 HydrophobicContact CH2-CD1 4.41Å; W275-I279 HydrophobicContact CZ2-CD1 3.71Å; W275-I279 HydrophobicContact CZ2-CG1 4.18Å; W275-I279 WeakPolarHBondContact O-CG1 3.33Å; W275-I279 PolarHBondContact O-N 3.11Å; W275-M290 HydrophobicContact CZ2-CE 4.24Å; W275-M290 PolarHBondContact NE1-O 3.29Å; W275-R292 HydrophobicContact CB-CB 3.88Å; W275-R292 HydrophobicContact CB-CG 4.06Å; W275-R292 HydrophobicContact CD2-CB 3.7Å; W275-R292 HydrophobicContact CD2-CG 3.82Å; W275-R292 HydrophobicContact CE3-CB 4.26Å; W275-R292 HydrophobicContact CE3-CG 3.85Å; W275-R292 HydrophobicContact CG-CB 3.52Å; W275-R292 HydrophobicContact CG-CG 3.94Å
276S91.9Very high90.7Very high88 Ų8848.2 Ų48.262%0.61525%0.249SC*.Hα-helixtrans-61.8-40.2176.248.90000112.2P274 N280P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 2.84Å; P274-S276 VanDerWaalsContact O-N 3.15Å; S276-N280 PolarHBondContact O-N 3.05Å
277I93.7Very high89.3Confident63 Ų6346.5 Ų46.532%0.32324%0.242SC..Hα-helixtrans-69.7-41.8175.3-58.5-177.7000109.7V273 P274 W275 I279 N280 D281V273-I277 HydrophobicContact CB-CB 4.18Å; V273-I277 HydrophobicContact CB-CG2 4.09Å; V273-I277 HydrophobicContact CG1-CG2 4.44Å; V273-I277 HydrophobicContact CG2-CB 4.03Å; V273-I277 HydrophobicContact CG2-CG2 3.94Å; P274-I277 HydrophobicContact CB-CG1 4.48Å; P274-I277 HydrophobicContact CG-CD1 4.29Å; P274-I277 WeakPolarHBondContact O-CA 3.45Å; P274-I277 WeakPolarHBondContact O-CB 3.24Å; P274-I277 PolarHBondContact O-N 2.82Å; W275-I277 VanDerWaalsContact C-N 3.31Å; W275-I277 PolarHBondContact O-N 2.95Å; I277-I279 PolarHBondContact O-N 3.2Å; I277-N280 WeakPolarHBondContact O-CB 3.46Å; I277-N280 PolarHBondContact O-N 2.9Å; I277-N280 VanDerWaalsContact O-N 3.14Å; I277-D281 WeakPolarHBondContact O-CB 3.42Å; I277-D281 PolarHBondContact O-N 3.13Å
278W95.1Very high87.4Confident1 Ų151 Ų510%0.00427%0.269CS..Hα-helixtrans-56.7-48.5176.1-172.692.4000111.8H85 L264 P268 I271 V273 P274 W275 N280 D281 M282 L284H85-W278 AromaticContact CD2-CD1 3.68Å; H85-W278 AromaticContact CG-CD1 3.28Å; H85-W278 AromaticContact CG-NE1 3.45Å; H85-W278 AromaticContact ND1-CD1 3.58Å; L264-W278 HydrophobicContact CD1-CH2 3.81Å; L264-W278 HydrophobicContact CD1-CZ3 4.44Å; L264-W278 HydrophobicContact CD2-CH2 4.01Å; L264-W278 HydrophobicContact CD2-CZ3 3.94Å; P268-W278 HydrophobicContact CG-CH2 4.43Å; P268-W278 HydrophobicContact CG-CZ2 3.68Å; I271-W278 VanDerWaalsContact CG2-CD1 3.45Å; I271-W278 HydrophobicContact CG2-CD2 4.48Å; I271-W278 HydrophobicContact CG2-CG 4Å; V273-W278 HydrophobicContact CG2-CB 3.96Å; P274-W278 PolarHBondContact O-N 2.78Å; W275-W278 HydrophobicContact CE3-CB 4.46Å; W275-W278 HydrophobicContact CE3-CD2 4.23Å; W275-W278 AromaticContact CE3-CE3 3.99Å; W275-W278 HydrophobicContact CE3-CE3 3.99Å; W275-W278 HydrophobicContact CE3-CG 4.43Å; W275-W278 AromaticContact CH2-CE3 3.83Å; W275-W278 HydrophobicContact CH2-CE3 3.83Å; W275-W278 AromaticContact CH2-CZ3 3.79Å; W275-W278 HydrophobicContact CH2-CZ3 3.79Å; W275-W278 HydrophobicContact CZ2-CE3 4.41Å; W275-W278 HydrophobicContact CZ2-CZ3 4.44Å; W275-W278 AromaticContact CZ3-CD2 3.95Å; W275-W278 HydrophobicContact CZ3-CD2 3.95Å; W275-W278 AromaticContact CZ3-CE3 3.59Å; W275-W278 HydrophobicContact CZ3-CE3 3.59Å; W275-W278 AromaticContact CZ3-CZ3 3.95Å; W275-W278 HydrophobicContact CZ3-CZ3 3.95Å; W275-W278 WeakPolarHBondContact O-CB 3.09Å; W275-W278 PolarHBondContact O-N 2.89Å; W278-N280 VanDerWaalsContact C-N 3.27Å; W278-N280 PolarHBondContact O-N 3.02Å; W278-D281 PolarHBondContact O-N 3.38Å; W278-M282 HydrophobicContact CD2-CG 3.85Å; W278-M282 HydrophobicContact CE3-CB 4.48Å; W278-M282 HydrophobicContact CE3-CG 4.08Å; W278-M282 HydrophobicContact CG-CG 4.45Å; W278-M282 HydrophobicContact CH2-CB 4.34Å; W278-M282 HydrophobicContact CH2-CG 3.9Å; W278-M282 HydrophobicContact CZ2-CE 4.24Å; W278-M282 HydrophobicContact CZ2-CG 3.69Å; W278-M282 HydrophobicContact CZ2-SD 4.47Å; W278-M282 HydrophobicContact CZ3-CB 4.29Å; W278-M282 HydrophobicContact CZ3-CG 4.1Å; W278-M282 WeakPolarHBondContact O-CB 3.32Å; W278-M282 WeakPolarHBondContact O-CG 3.48Å; W278-M282 PolarHBondContact O-N 2.86Å; W278-L284 HydrophobicContact CH2-CD1 4.41Å; W278-L284 HydrophobicContact CZ3-CD1 3.94Å
279I92.6Very high86Confident13 Ų1356.4 Ų56.47%0.06730%0.303CS..Hα-helixtrans-57.9-41.1176.9-71.7-71.1000111.4W275 I277 T283 L284 M290W275-I279 HydrophobicContact CD2-CG1 4.23Å; W275-I279 HydrophobicContact CG-CG1 4.43Å; W275-I279 HydrophobicContact CH2-CD1 4.41Å; W275-I279 HydrophobicContact CZ2-CD1 3.71Å; W275-I279 HydrophobicContact CZ2-CG1 4.18Å; W275-I279 WeakPolarHBondContact O-CG1 3.33Å; W275-I279 PolarHBondContact O-N 3.11Å; I277-I279 PolarHBondContact O-N 3.2Å; I279-T283 PolarHBondContact O-N 2.86Å; I279-L284 HydrophobicContact CD1-CB 4.21Å; I279-L284 HydrophobicContact CD1-CD1 4.15Å; I279-L284 HydrophobicContact CG2-CB 3.96Å; I279-L284 PolarHBondContact O-N 2.82Å; I279-M290 HydrophobicContact CD1-CB 4.03Å; I279-M290 HydrophobicContact CD1-CE 3.61Å; I279-M290 HydrophobicContact CD1-SD 4.17Å
280N91.6Very high85.2Confident78 Ų7852.1 Ų52.142%0.41729%0.285SS..Hα-helixtrans-67.1-49.8178.4175.463.3000113S276 I277 W278 M282 T283 N285S276-N280 PolarHBondContact O-N 3.05Å; I277-N280 WeakPolarHBondContact O-CB 3.46Å; I277-N280 PolarHBondContact O-N 2.9Å; I277-N280 VanDerWaalsContact O-N 3.14Å; W278-N280 VanDerWaalsContact C-N 3.27Å; W278-N280 PolarHBondContact O-N 3.02Å; N280-M282 PolarHBondContact O-N 3.26Å; N280-T283 WeakPolarHBondContact O-CA 2.98Å; N280-T283 PolarHBondContact O-N 3.26Å; N280-N285 WeakPolarHBondContact CA-OD1 3.43Å; N280-N285 VanDerWaalsContact CB-OD1 3.26Å; N280-N285 WeakPolarHBondContact CB-OD1 3.49Å; N280-N285 PolarHBondContact N-OD1 2.85Å; N280-N285 PolarHBondContact OD1-ND2 3.2Å; N280-N285 PolarHBondContact OD1-OD1 2.5Å
281D93.4Very high84.7Confident37 Ų3759.4 Ų59.420%0.19832%0.316CS..Hα-helixtrans-62.6-33.3178.9-69.10.5000111.1H85 R91 I277 W278 T283H85-D281 IonicContact CE1-OD2 3.31Å; H85-D281 WeakPolarHBondContact NE2-CB 3.08Å; H85-D281 IonicContact NE2-OD2 3.76Å; H85-D281 PolarHBondContact NE2-OD2 3.38Å; R91-D281 IonicContact CZ-OD2 2.93Å; R91-D281 IonicContact NE-OD2 2.67Å; R91-D281 PolarHBondContact NE-OD2 2.84Å; R91-D281 IonicContact NH2-OD1 2.85Å; R91-D281 IonicContact NH2-OD2 3.96Å; R91-D281 PolarHBondContact NH2-OD2 2.82Å; I277-D281 WeakPolarHBondContact O-CB 3.42Å; I277-D281 PolarHBondContact O-N 3.13Å; W278-D281 PolarHBondContact O-N 3.38Å; D281-T283 PolarHBondContact O-N 2.83Å
282M92.7Very high84.3Confident0 Ų064.9 Ų64.90%034%0.337CS..THydrogen-bonded Turntrans-83.98.1175.9-59.3-57.5-71.900113.6E83 H85 K88 I252 W278 N280 L284E83-M282 HydrophobicContact CB-CE 3.7Å; E83-M282 HydrophobicContact CG-CE 4.47Å; E83-M282 WeakPolarHBondContact OE2-CE 3.2Å; H85-M282 HydrophobicContact CB-CG 4.42Å; H85-M282 HydrophobicContact CB-SD 3.71Å; K88-M282 HydrophobicContact CB-SD 4.49Å; K88-M282 HydrophobicContact CD-CE 3.91Å; K88-M282 HydrophobicContact CD-SD 3.88Å; K88-M282 HydrophobicContact CG-SD 4.38Å; I252-M282 HydrophobicContact CD1-CB 4.17Å; I252-M282 HydrophobicContact CD1-CE 3.57Å; W278-M282 HydrophobicContact CD2-CG 3.85Å; W278-M282 HydrophobicContact CE3-CB 4.48Å; W278-M282 HydrophobicContact CE3-CG 4.08Å; W278-M282 HydrophobicContact CG-CG 4.45Å; W278-M282 HydrophobicContact CH2-CB 4.34Å; W278-M282 HydrophobicContact CH2-CG 3.9Å; W278-M282 HydrophobicContact CZ2-CE 4.24Å; W278-M282 HydrophobicContact CZ2-CG 3.69Å; W278-M282 HydrophobicContact CZ2-SD 4.47Å; W278-M282 HydrophobicContact CZ3-CB 4.29Å; W278-M282 HydrophobicContact CZ3-CG 4.1Å; W278-M282 WeakPolarHBondContact O-CB 3.32Å; W278-M282 WeakPolarHBondContact O-CG 3.48Å; W278-M282 PolarHBondContact O-N 2.86Å; N280-M282 PolarHBondContact O-N 3.26Å; M282-L284 HydrophobicContact CB-CD1 4.33Å; M282-L284 HydrophobicContact CB-CG 4.27Å; M282-L284 PolarHBondContact O-N 2.89Å
283T84Confident84Confident88 Ų8865.9 Ų65.954%0.5434%0.343SS..THydrogen-bonded Turntrans58.226.1178.366.70000115.3I279 N280 D281 N285I279-T283 PolarHBondContact O-N 2.86Å; N280-T283 WeakPolarHBondContact O-CA 2.98Å; N280-T283 PolarHBondContact O-N 3.26Å; D281-T283 PolarHBondContact O-N 2.83Å; T283-N285 VanDerWaalsContact C-N 3.34Å
284L79.8Confident83.8Confident4 Ų475.8 Ų75.82%0.02139%0.387CS..  trans-92.213.4179.5-62.1178.6000113.2I252 P262 L264 W278 I279 M282 R286 S287 M290I252-L284 HydrophobicContact CD1-CD1 4.03Å; I252-L284 HydrophobicContact CD1-CG 4.43Å; I252-L284 HydrophobicContact CG2-CD2 4.08Å; P262-L284 HydrophobicContact CB-CD2 3.88Å; L264-L284 HydrophobicContact CB-CD1 4Å; W278-L284 HydrophobicContact CH2-CD1 4.41Å; W278-L284 HydrophobicContact CZ3-CD1 3.94Å; I279-L284 HydrophobicContact CD1-CB 4.21Å; I279-L284 HydrophobicContact CD1-CD1 4.15Å; I279-L284 HydrophobicContact CG2-CB 3.96Å; I279-L284 PolarHBondContact O-N 2.82Å; M282-L284 HydrophobicContact CB-CD1 4.33Å; M282-L284 HydrophobicContact CB-CG 4.27Å; M282-L284 PolarHBondContact O-N 2.89Å; L284-R286 PolarHBondContact O-N 2.84Å; L284-S287 WeakPolarHBondContact O-CA 3.46Å; L284-S287 WeakPolarHBondContact O-CB 3.42Å; L284-S287 PolarHBondContact O-N 2.95Å; L284-M290 HydrophobicContact CD1-CE 4.08Å; L284-M290 HydrophobicContact CD1-SD 4.43Å
285N65Low83.6Confident76 Ų7678.8 Ų78.841%0.40640%0.395SS..THydrogen-bonded Turntrans-55.1-27.9-173.9-77.7-25.3000115.9N280 T283 S287 T288N280-N285 WeakPolarHBondContact CA-OD1 3.43Å; N280-N285 VanDerWaalsContact CB-OD1 3.26Å; N280-N285 WeakPolarHBondContact CB-OD1 3.49Å; N280-N285 PolarHBondContact N-OD1 2.85Å; N280-N285 PolarHBondContact OD1-ND2 3.2Å; N280-N285 PolarHBondContact OD1-OD1 2.5Å; T283-N285 VanDerWaalsContact C-N 3.34Å; N285-S287 PolarHBondContact O-N 2.78Å; N285-T288 WeakPolarHBondContact O-CG2 3.27Å
286R64.4Low83.7Confident183 Ų18377.4 Ų77.469%0.69139%0.39SS*.THydrogen-bonded Turntrans-66.4-22.2176.7-58.4-165.8-177.8-179.10.3111.7E261 L284 T288E261-R286 VanDerWaalsContact CD-CB 3.48Å; E261-R286 WeakPolarHBondContact OE1-CB 3.33Å; E261-R286 WeakPolarHBondContact OE1-CD 3.28Å; E261-R286 IonicContact OE1-NH1 2.87Å; E261-R286 WeakPolarHBondContact OE2-CB 3.45Å; L284-R286 PolarHBondContact O-N 2.84Å; R286-T288 VanDerWaalsContact C-N 3.28Å; R286-T288 PolarHBondContact O-N 2.71Å; R286-T288 VanDerWaalsContact O-N 3.11Å
287S62.4Low83.9Confident30 Ų3080 Ų8021%0.2139%0.39CS..  trans-87.556.5174.8-156.70000112.1L284 N285 T289 M290L284-S287 WeakPolarHBondContact O-CA 3.46Å; L284-S287 WeakPolarHBondContact O-CB 3.42Å; L284-S287 PolarHBondContact O-N 2.95Å; N285-S287 PolarHBondContact O-N 2.78Å; S287-T289 PolarHBondContact O-N 3.01Å; S287-M290 VanDerWaalsContact CB-SD 3.54Å; S287-M290 PolarHBondContact O-N 3.11Å; S287-M290 VanDerWaalsContact O-N 3.09Å; S287-M290 WeakPolarHBondContact OG-CG 3.48Å; S287-M290 PolarHBondContact OG-SD 3.45Å
288T56.7Low84Confident131 Ų13181.3 Ų81.380%0.80440%0.397SS*.THydrogen-bonded Turntrans-55.8-1217951.30000114.3N285 R286N285-T288 WeakPolarHBondContact O-CG2 3.27Å; R286-T288 VanDerWaalsContact C-N 3.28Å; R286-T288 PolarHBondContact O-N 2.71Å; R286-T288 VanDerWaalsContact O-N 3.11Å
289T68.1Low83.9Confident116 Ų11682.7 Ų82.771%0.71241%0.405SS*.THydrogen-bonded Turntrans-91.3-7.8-177.9570000114S287 K291S287-T289 PolarHBondContact O-N 3.01Å; T289-K291 PolarHBondContact O-N 3.09Å
290M80.8Confident83.7Confident45 Ų4586.2 Ų86.222%0.22243%0.431CS..  trans-73.5109.6-175.3-80.9176.462.400113.1L264 W275 I279 L284 S287L264-M290 HydrophobicContact CB-CE 3.26Å; L264-M290 HydrophobicContact CB-SD 4.23Å; L264-M290 HydrophobicContact CD2-CE 3.23Å; L264-M290 HydrophobicContact CG-CE 3.86Å; W275-M290 HydrophobicContact CZ2-CE 4.24Å; W275-M290 PolarHBondContact NE1-O 3.29Å; I279-M290 HydrophobicContact CD1-CB 4.03Å; I279-M290 HydrophobicContact CD1-CE 3.61Å; I279-M290 HydrophobicContact CD1-SD 4.17Å; L284-M290 HydrophobicContact CD1-CE 4.08Å; L284-M290 HydrophobicContact CD1-SD 4.43Å; S287-M290 VanDerWaalsContact CB-SD 3.54Å; S287-M290 PolarHBondContact O-N 3.11Å; S287-M290 VanDerWaalsContact O-N 3.09Å; S287-M290 WeakPolarHBondContact OG-CG 3.48Å; S287-M290 PolarHBondContact OG-SD 3.45Å
291K85.7Confident83.7Confident189 Ų18984.1 Ų84.182%0.82242%0.419SS*.PPolyproline II helixtrans-81.8141.6174.3-64.7-177.8179.6178.10111.2T289T289-K291 PolarHBondContact O-N 3.09Å
292R89.9Confident83.5Confident118 Ų11885.3 Ų85.345%0.44542%0.421SS..PPolyproline II helixtrans-58.1127.1170.9-169.5-178.968.5164.8-2.1109.5W275 C296W275-R292 HydrophobicContact CB-CB 3.88Å; W275-R292 HydrophobicContact CB-CG 4.06Å; W275-R292 HydrophobicContact CD2-CB 3.7Å; W275-R292 HydrophobicContact CD2-CG 3.82Å; W275-R292 HydrophobicContact CE3-CB 4.26Å; W275-R292 HydrophobicContact CE3-CG 3.85Å; W275-R292 HydrophobicContact CG-CB 3.52Å; W275-R292 HydrophobicContact CG-CG 3.94Å; R292-C296 HydrophobicContact CG-CB 3.87Å; R292-C296 PolarHBondContact NH1-O 3.4Å
293P91.9Very high83.2Confident25 Ų2592.8 Ų92.816%0.16245%0.454CS..PPolyproline II helixtrans-58.5144.5172.2-18.527.9000111.2P267 Q295 C296P267-P293 HydrophobicContact CB-CG 3.42Å; P267-P293 VanDerWaalsContact CB-CG 3.42Å; P267-P293 HydrophobicContact CG-CB 4.28Å; P267-P293 HydrophobicContact CG-CG 3.41Å; P267-P293 VanDerWaalsContact CG-CG 3.41Å; P293-Q295 HydrophobicContact CB-CG 4.5Å; P293-Q295 PolarHBondContact O-N 2.86Å; P293-C296 HydrophobicContact CB-CB 4.22Å; P293-C296 HydrophobicContact CG-CB 4.33Å; P293-C296 WeakPolarHBondContact O-CB 3.25Å; P293-C296 PolarHBondContact O-N 3.37Å
294K91.7Very high83.2Confident211 Ų21196 Ų9692%0.91747%0.468SS*.THydrogen-bonded Turntrans-59.9-33.4-177.1-69.7-175.9178.6-179.10112.9C296K294-C296 VanDerWaalsContact C-N 3.34Å
295Q91.2Very high83.8Confident128 Ų12896 Ų9660%0.59847%0.468SS*.THydrogen-bonded Turntrans-81-11-179.769.6-83.722.600114P293 K297P293-Q295 HydrophobicContact CB-CG 4.5Å; P293-Q295 PolarHBondContact O-N 2.86Å; Q295-K297 PolarHBondContact O-N 3.25Å
296C95.8Very high85.1Confident2 Ų299 Ų991%0.01448%0.477CS..  trans-76.6112.8-180-177.30000109.8P268 K269 R292 P293 K294P268-C296 PolarHBondContact O-SG 2.89Å; K269-C296 CarbonylContact O-C 3.57Å; K269-C296 WeakPolarHBondContact O-CA 3.32Å; R292-C296 HydrophobicContact CG-CB 3.87Å; R292-C296 PolarHBondContact NH1-O 3.4Å; P293-C296 HydrophobicContact CB-CB 4.22Å; P293-C296 HydrophobicContact CG-CB 4.33Å; P293-C296 WeakPolarHBondContact O-CB 3.25Å; P293-C296 PolarHBondContact O-N 3.37Å; K294-C296 VanDerWaalsContact C-N 3.34Å
297K95.7Very high86.4Confident142 Ų14293.6 Ų93.662%0.61746%0.46SS*.EExtended strand (participates in β ladder)trans-95.5139.9-177.1-64-178.3-178.3-179.80110.9K269 Q270 I271 Q295K269-K297 PolarHBondContact O-N 3.13Å; Q270-K297 CarbonylContact C-O 3.45Å; Q270-K297 VanDerWaalsContact CA-O 3.26Å; Q270-K297 WeakPolarHBondContact CA-O 3.48Å; Q270-K297 HydrophobicContact CG-CB 4.38Å; I271-K297 PolarHBondContact N-O 3.27Å; Q295-K297 PolarHBondContact O-N 3.25Å
298L95.7Very high87.8Confident91 Ų9193.6 Ų93.648%0.47646%0.457SS..EExtended strand (participates in β ladder)trans-83.7124167.7179.561.2000108I271 V273I271-L298 HydrophobicContact CG1-CD1 4.15Å; I271-L298 CarbonylContact O-C 3.53Å; I271-L298 WeakPolarHBondContact O-CA 3.29Å; I271-L298 WeakPolarHBondContact O-CD1 3.31Å; V273-L298 VanDerWaalsContact C-CD1 3.47Å; V273-L298 WeakPolarHBondContact O-CD1 3.43Å
299V93.7Very high89.3Confident29 Ų2988 Ų8818%0.17643%0.425CS..  trans-112.7169.9171.4-59.50000109.4P242 P243 Q270 I271 I272P242-V299 HydrophobicContact CB-CB 4.19Å; P242-V299 HydrophobicContact CB-CG1 4.12Å; P242-V299 HydrophobicContact CB-CG2 4.24Å; P243-V299 HydrophobicContact CB-CG2 4.35Å; P243-V299 HydrophobicContact CG-CG2 4.49Å; Q270-V299 HydrophobicContact CB-CG1 4.24Å; Q270-V299 HydrophobicContact CB-CG2 4.37Å; Q270-V299 HydrophobicContact CG-CG1 4.03Å; I271-V299 WeakPolarHBondContact O-CG2 3.31Å; I271-V299 PolarHBondContact O-N 2.84Å; I272-V299 HydrophobicContact CG2-CG2 3.91Å
300S88Confident90.2Very high87 Ų8786.5 Ų86.561%0.60841%0.412SS*.  trans-67.3135.9-175.2-56.90000112.5
301E91.6Very high90.1Very high35 Ų3588.9 Ų88.916%0.16442%0.419CS..  trans-82.3135.2163-178.4173.3-160.600109.8R91 I272 F303R91-E301 VanDerWaalsContact CD-OE1 3.26Å; R91-E301 WeakPolarHBondContact CD-OE1 3.48Å; R91-E301 WeakPolarHBondContact CG-OE1 3.5Å; R91-E301 IonicContact CZ-OE1 3.77Å; R91-E301 IonicContact NE-OE1 3.54Å; R91-E301 IonicContact NH1-OE1 2.95Å; R91-E301 PolarHBondContact NH1-OE1 2.83Å; R91-E301 IonicContact NH1-OE2 3.79Å; I272-E301 HydrophobicContact CB-CB 4.27Å; I272-E301 HydrophobicContact CD1-CG 4.38Å; I272-E301 WeakPolarHBondContact O-CB 3.1Å; E301-F303 HydrophobicContact CB-CZ 4.47Å; E301-F303 HydrophobicContact CG-CD1 4.47Å; E301-F303 HydrophobicContact CG-CE1 4.33Å; E301-F303 HydrophobicContact CG-CZ 4.44Å; E301-F303 PolarHBondContact O-N 3.5Å; E301-F303 WeakPolarHBondContact OE2-CE1 3.28Å; E301-F303 WeakPolarHBondContact OE2-CZ 3.23Å
302W89.5Confident89.2Confident62 Ų6281.7 Ų81.724%0.23539%0.389CS..  trans-91.289.6171-67.7109.7000110.1H92 V183 L237 S241 N304 D305H92-W302 PolarHBondContact NE2-N 2.77Å; V183-W302 HydrophobicContact CG1-CH2 4.23Å; V183-W302 HydrophobicContact CG1-CZ3 4.34Å; L237-W302 HydrophobicContact CB-CB 4.28Å; L237-W302 HydrophobicContact CB-CD2 3.7Å; L237-W302 HydrophobicContact CB-CE3 4Å; L237-W302 HydrophobicContact CB-CG 3.83Å; L237-W302 HydrophobicContact CD1-CD2 4.22Å; L237-W302 HydrophobicContact CD1-CE3 3.62Å; L237-W302 HydrophobicContact CD1-CZ3 3.94Å; L237-W302 HydrophobicContact CG-CE3 4.37Å; S241-W302 WeakPolarHBondContact OG-CZ2 3.43Å; S241-W302 PolarHBondContact OG-NE1 2.85Å; S241-W302 VanDerWaalsContact OG-NE1 3.14Å; W302-N304 PolarHBondContact O-N 2.86Å; W302-D305 HydrophobicContact CB-CB 4.46Å; W302-D305 WeakPolarHBondContact O-CA 3.44Å; W302-D305 PolarHBondContact O-N 3.38Å
303F86.8Confident87.7Confident156 Ų15682.4 Ų82.468%0.68440%0.402SS*.THydrogen-bonded Turntrans-56.4130175.9-65.9-75.7000111E301 D305E301-F303 HydrophobicContact CB-CZ 4.47Å; E301-F303 HydrophobicContact CG-CD1 4.47Å; E301-F303 HydrophobicContact CG-CE1 4.33Å; E301-F303 HydrophobicContact CG-CZ 4.44Å; E301-F303 PolarHBondContact O-N 3.5Å; E301-F303 WeakPolarHBondContact OE2-CE1 3.28Å; E301-F303 WeakPolarHBondContact OE2-CZ 3.23Å; F303-D305 PolarHBondContact O-N 3.35Å; F303-D305 VanDerWaalsContact O-N 3.11Å
304N84Confident85.7Confident157 Ų15783.9 Ų83.984%0.8441%0.41SS*.THydrogen-bonded Turntrans64.4-3.3-172.9-52.8-43.3000116W302 K306W302-N304 PolarHBondContact O-N 2.86Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 2.54Å; N304-K306 VanDerWaalsContact O-N 3.15Å
305D91.6Very high83.5Confident3 Ų377 Ų772%0.01639%0.389CS..  trans33.762.7177.4-165.422.4000113.5K93 P236 L237 S238 W302 F303 E307K93-D305 VanDerWaalsContact CB-OD2 3.31Å; K93-D305 WeakPolarHBondContact CB-OD2 3.41Å; K93-D305 HydrophobicContact CD-CB 4.49Å; K93-D305 HydrophobicContact CG-CB 4.36Å; K93-D305 PolarHBondContact N-OD2 3.3Å; K93-D305 PolarHBondContact NZ-O 2.84Å; P236-D305 WeakPolarHBondContact CB-OD2 3.35Å; L237-D305 PolarHBondContact N-OD1 2.87Å; S238-D305 WeakPolarHBondContact CB-OD1 3.32Å; S238-D305 WeakPolarHBondContact CB-OD2 3.37Å; S238-D305 PolarHBondContact N-OD1 3.32Å; S238-D305 PolarHBondContact OG-OD2 3.28Å; W302-D305 HydrophobicContact CB-CB 4.46Å; W302-D305 WeakPolarHBondContact O-CA 3.44Å; W302-D305 PolarHBondContact O-N 3.38Å; F303-D305 PolarHBondContact O-N 3.35Å; F303-D305 VanDerWaalsContact O-N 3.11Å; D305-E307 PolarHBondContact O-N 3.26Å
306K91Very high81Confident140 Ų14079 Ų7961%0.60939%0.392SS*.  trans-59.7137.8-170.2-176.7-179.4176-174.80110.3L237 N304 I308L237-K306 HydrophobicContact CD1-CB 4.16Å; L237-K306 WeakPolarHBondContact CG-O 3.41Å; L237-K306 PolarHBondContact N-O 3.49Å; L237-K306 VanDerWaalsContact N-O 3.13Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 2.54Å; N304-K306 VanDerWaalsContact O-N 3.15Å; K306-I308 HydrophobicContact CD-CG2 4.43Å; K306-I308 HydrophobicContact CG-CG2 4.33Å
307E92.6Very high78.2Confident69 Ų6984.2 Ų84.232%0.32242%0.42SS..EExtended strand (participates in β ladder)trans-83.1124.7171.2-82.4168.2-149.800110.7K93 K234 L235 P236 D305K93-E307 IonicContact NZ-OE1 3.95Å; K93-E307 PolarHBondContact NZ-OE1 2.98Å; K234-E307 HydrophobicContact CB-CB 3.77Å; K234-E307 HydrophobicContact CB-CG 4.33Å; K234-E307 HydrophobicContact CD-CB 4.43Å; L235-E307 WeakPolarHBondContact O-CA 3.44Å; P236-E307 HydrophobicContact CB-CG 4.44Å; D305-E307 PolarHBondContact O-N 3.26Å
308I91.9Very high75.5Confident29 Ų2983.3 Ų83.315%0.14942%0.416CS..EExtended strand (participates in β ladder)trans-120.6-173.6-18067.9161000110.8F181 V188 K234 L235 L237 L240 K306F181-I308 HydrophobicContact CE1-CD1 3.99Å; F181-I308 HydrophobicContact CZ-CD1 3.6Å; V188-I308 HydrophobicContact CB-CD1 4.4Å; V188-I308 HydrophobicContact CG2-CD1 3.94Å; K234-I308 WeakPolarHBondContact CA-O 3.49Å; K234-I308 WeakPolarHBondContact CB-O 3.34Å; K234-I308 WeakPolarHBondContact CG-O 3.48Å; L235-I308 HydrophobicContact CD2-CG1 4.37Å; L235-I308 WeakPolarHBondContact CD2-O 3.42Å; L235-I308 HydrophobicContact CG-CG1 4.47Å; L235-I308 PolarHBondContact N-O 2.9Å; L235-I308 VanDerWaalsContact N-O 3.16Å; L235-I308 PolarHBondContact O-N 2.98Å; L237-I308 HydrophobicContact CD2-CD1 3.77Å; L237-I308 HydrophobicContact CD2-CG1 4.18Å; L237-I308 HydrophobicContact CD2-CG2 4.19Å; L237-I308 HydrophobicContact CG-CG2 4.48Å; L240-I308 HydrophobicContact CD1-CD1 3.63Å; L240-I308 HydrophobicContact CD1-CG1 4.1Å; K306-I308 HydrophobicContact CD-CG2 4.43Å; K306-I308 HydrophobicContact CG-CG2 4.33Å
309G88.6Confident72.9Confident14 Ų1486.4 Ų86.414%0.14442%0.421CS..  trans105.4125-178.300000112.4V188V188-G309 CarbonylContact O-C 3.57Å; V188-G309 VanDerWaalsContact O-CA 3.31Å; V188-G309 WeakPolarHBondContact O-CA 3.3Å
310I86.7Confident70.2Confident85 Ų8591.5 Ų91.544%0.43644%0.443SS..EExtended strand (participates in β ladder)trans-87.9128.6173-58.6164.8000107.6V188 Y189 I190V188-I310 PolarHBondContact O-N 3.17Å; Y189-I310 WeakPolarHBondContact CA-O 3.46Å; Y189-I310 HydrophobicContact CD1-CB 3.61Å; Y189-I310 HydrophobicContact CD1-CD1 4.09Å; Y189-I310 HydrophobicContact CD1-CG1 4.42Å; Y189-I310 HydrophobicContact CD1-CG2 3.86Å; Y189-I310 HydrophobicContact CE1-CB 3.9Å; Y189-I310 HydrophobicContact CE1-CD1 3.57Å; Y189-I310 HydrophobicContact CE1-CG1 4.33Å; Y189-I310 HydrophobicContact CE1-CG2 3.91Å; Y189-I310 HydrophobicContact CG-CB 4.48Å; I190-I310 PolarHBondContact N-O 3.18Å
311R79.1Confident67.7Low95 Ų9594.2 Ų94.236%0.35845%0.446SS..EExtended strand (participates in β ladder)trans-87.3146.4178.2-65.6177.7176.3-168.4-6.4109.6D231 N232D231-R311 IonicContact OD1-CZ 3.71Å; D231-R311 VanDerWaalsContact OD1-CZ 3.31Å; D231-R311 IonicContact OD1-NH1 2.87Å; D231-R311 PolarHBondContact OD1-NH1 2.85Å; D231-R311 IonicContact OD1-NH2 3.24Å; D231-R311 PolarHBondContact OD1-NH2 2.89Å; N232-R311 PolarHBondContact O-NE 3.42Å; N232-R311 PolarHBondContact O-NH2 3.21Å
312N66.4Low65Low38 Ų38101.2 Ų101.220%0.20348%0.476CS..  trans-87.7105168.8-169.40.3000109.5L6 T314L6-N312 HydrophobicContact CD1-CB 4.11Å; N312-T314 PolarHBondContact ND2-OG1 3.14Å; N312-T314 VanDerWaalsContact ND2-OG1 3.1Å; N312-T314 PolarHBondContact O-N 2.96Å; N312-T314 WeakPolarHBondContact OD1-CB 3.31Å; N312-T314 PolarHBondContact OD1-N 3.17Å; N312-T314 PolarHBondContact OD1-OG1 2.76Å
313D57.2Low62.4Low133 Ų133105.8 Ų105.871%0.71150%0.504SS*.THydrogen-bonded Turntrans-72.1-4.6-179.6-68.7-26.7000113.3S315 Y316D313-S315 VanDerWaalsContact C-N 3.31Å; D313-S315 PolarHBondContact O-N 3.17Å; D313-Y316 PolarHBondContact O-N 3.06Å
314T50.5Low59.8Low55 Ų55102.8 Ų102.834%0.33750%0.503SS..THydrogen-bonded Turntrans-75.2-11-174.457.90000115.2N312 Y316 N317N312-T314 PolarHBondContact ND2-OG1 3.14Å; N312-T314 VanDerWaalsContact ND2-OG1 3.1Å; N312-T314 PolarHBondContact O-N 2.96Å; N312-T314 WeakPolarHBondContact OD1-CB 3.31Å; N312-T314 PolarHBondContact OD1-N 3.17Å; N312-T314 PolarHBondContact OD1-OG1 2.76Å; T314-Y316 PolarHBondContact O-N 3.3Å; T314-N317 PolarHBondContact O-N 3.38Å
315S45.8Very low57.3Low67 Ų67100.8 Ų100.847%0.46950%0.496SS..Hα-helixtrans-63.4-25.6173.336.60000112.6D313 N317D313-S315 VanDerWaalsContact C-N 3.31Å; D313-S315 PolarHBondContact O-N 3.17Å; S315-N317 VanDerWaalsContact C-N 3.35Å; S315-N317 PolarHBondContact O-N 3.06Å
316Y39.1Very low54.4Low170 Ų170104.4 Ų104.467%0.66753%0.534SS*.Hα-helixtrans-66.4-33.5177.8-136.2-90.7000113.1D313 T314D313-Y316 PolarHBondContact O-N 3.06Å; T314-Y316 PolarHBondContact O-N 3.3Å
317N36Very low51.5Low111 Ų111106.8 Ų106.859%0.59455%0.547SS*.Hα-helixtrans-87.9-29.9-172.8-73.2-30.5000113.7T314 S315T314-N317 PolarHBondContact O-N 3.38Å; S315-N317 VanDerWaalsContact C-N 3.35Å; S315-N317 PolarHBondContact O-N 3.06Å
318K40.5Very low48.3Very low124 Ų124106.4 Ų106.454%0.53956%0.562SS.*Hα-helixtrans-76.4-25-174.4-80.9-175.4176.81770114.8
319R39.9Very low45.4Very low156 Ų156112 Ų11259%0.58960%0.598SS**Hα-helixtrans-80.3-26.8176.9-83.2-173.5-178.2-1773.1113.4E229E229-R319 IonicContact OE1-NH2 2.83Å; E229-R319 IonicContact OE2-CZ 3.86Å; E229-R319 VanDerWaalsContact OE2-CZ 3.24Å; E229-R319 IonicContact OE2-NH1 3.79Å; E229-R319 PolarHBondContact OE2-NH1 3.33Å; E229-R319 IonicContact OE2-NH2 2.75Å; E229-R319 PolarHBondContact OE2-NH2 3.24Å
320Q36.7Very low42.5Very low135 Ų135116.8 Ų116.863%0.63163%0.629SS**Hα-helixtrans-71.2-33.7174.4-74.6-167.70.100112.8K322 L323Q320-K322 VanDerWaalsContact C-N 3.33Å; Q320-K322 PolarHBondContact O-N 3.22Å; Q320-L323 PolarHBondContact O-N 3.47Å
321E35.7Very low40Very low144 Ų144124.6 Ų124.667%0.67365%0.653SS**Hα-helixtrans-69.4-27.9178.3-74.5-17215600113.5L323 S324E321-L323 PolarHBondContact O-N 2.9Å; E321-S324 PolarHBondContact O-N 2.88Å
322K34.2Very low37.6Very low183 Ų183125.1 Ų125.180%0.79667%0.671SS**THydrogen-bonded Turntrans-71.1-16.1174.2-85.8-172.3176.1-1790113.9Q320Q320-K322 VanDerWaalsContact C-N 3.33Å; Q320-K322 PolarHBondContact O-N 3.22Å
323L35.1Very low35.8Very low157 Ų157127.2 Ų127.282%0.82269%0.693SS**THydrogen-bonded Turntrans-92.4-10.9178.3-85.7151.5000113.8Q320 E321Q320-L323 PolarHBondContact O-N 3.47Å; E321-L323 PolarHBondContact O-N 2.9Å
324S32Very low34.6Very low93 Ų93132 Ų13265%0.6570%0.702SS**SBendtrans-101.8-2.7-174.273.60000115.8E321 G326E321-S324 PolarHBondContact O-N 2.88Å; S324-G326 VanDerWaalsContact C-N 3.32Å; S324-G326 PolarHBondContact O-N 3.15Å
325T31.9Very low33.7Very low115 Ų115136 Ų13671%0.70673%0.726SS**  trans-9550177.850.40000112.9H327T325-H327 VanDerWaalsContact C-N 3.3Å; T325-H327 PolarHBondContact O-N 3.01Å; T325-H327 VanDerWaalsContact O-N 3.09Å
326G30.5Very low33.1Very low79 Ų79139.7 Ų139.781%0.81474%0.74SS**  trans-7878.8163.900000110.7S324 G328S324-G326 VanDerWaalsContact C-N 3.32Å; S324-G326 PolarHBondContact O-N 3.15Å; G326-G328 PolarHBondContact O-N 3.2Å
327H30Very low32.8Very low190 Ų190141.1 Ų141.188%0.8875%0.75SS**  trans-67.9119.7176.3-110.1-29000111.6T325T325-H327 VanDerWaalsContact C-N 3.3Å; T325-H327 PolarHBondContact O-N 3.01Å; T325-H327 VanDerWaalsContact O-N 3.09Å
328G26.9Very low32.6Very low61 Ų61146.7 Ų146.763%0.62976%0.762SS**  71.1114.912900000119G326G326-G328 PolarHBondContact O-N 3.2Å
329T31.1Very low32.1Very low148 Ų148145.7 Ų145.791%0.90877%0.771SS**  -159107.4113.641.30000109.6
330S27.6Very low31.7Very low114 Ų114150.5 Ų150.580%0.79779%0.789SS**  trans-76.4119.5160.7166.70000108.3
331R32.6Very low31.5Very low249 Ų249151.4 Ų151.494%0.9484%0.835SS**  trans-135.688.9156.3-101.8-174.6174-177.1-0.8109.2
332S29.6Very low31.3Very low105 Ų105151.8 Ų151.873%0.73484%0.843SS**  trans-74.4142168167.10000111.4
333A28.7Very low31.2Very low82 Ų82150.2 Ų150.268%0.67885%0.845SS**  trans64.9115.1151.400000120
334R32.5Very low30.9Very low235 Ų235149.8 Ų149.889%0.88785%0.846SS**  -167.796.8122.3-104.9168.5-174-171.82.4111.1L336R334-L336 PolarHBondContact O-N 3.43Å
335T31.4Very low30.9Very low139 Ų139153.1 Ų153.185%0.85386%0.858SS**  trans-78.4108.9165.4-39.50000108
336L33.3Very low30.8Very low144 Ų144155.5 Ų155.575%0.75487%0.868SS**  trans-113.9100.1172.3-107.9149.2000108.7R334R334-L336 PolarHBondContact O-N 3.43Å
337K31.3Very low30.8Very low200 Ų200160.6 Ų160.687%0.8787%0.871SS**  trans-70.5122.3164.7-80.6178172.21770109
338R32.7Very low30.9Very low227 Ų227158.5 Ų158.586%0.85787%0.87SS**  trans-137.493.9156.2-93.2-176.9161.1-175-5.5105.5
339S30.5Very low31.2Very low103 Ų103166 Ų16672%0.7289%0.889SS**  50.8103.491.678.80000114.7
340R30.4Very low31.2Very low258 Ų258167.5 Ų167.597%0.97489%0.887SS**  trans43.8106.4139.7-69.5-177.1172.1178.5-3.2117.8
341G33.7Very low31.5Very low154 Ų154172.4 Ų172.4100%1.58890%0.896SS**  trans-155.90150.500000106.5

Retrieved 341 of 341 residues in 204.2 ms (Link to these results)

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