A0A5K4F3Y8_SCHMA Loading...

ZP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Y8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M43.8Very low72.4Confident241 Ų241123.5 Ų123.5100%1.18766%0.66SS**  0145.10-75.1168.316200108.3
2L59.4Low73.6Confident162 Ų162122.3 Ų122.385%0.84865%0.653SS**PPolyproline II helixtrans-83.3142.6166.2-71.7168000108.7L4L2-L4 PolarHBondContact O-N 3.43Å
3P69.5Low74.2Confident122 Ų122119.7 Ų119.779%0.79264%0.639SS**PPolyproline II helixtrans-67.1119171.628-32.5000109.2
4L70.8Confident74.8Confident172 Ų172115.7 Ų115.790%0.90164%0.64SS**PPolyproline II helixtrans-66.8135.9170.2-75.5168.4000109.1L2 S6L2-L4 PolarHBondContact O-N 3.43Å; L4-S6 PolarHBondContact O-N 3.13Å
5R75.6Confident75.5Confident199 Ų199114.7 Ų114.775%0.75163%0.633SS**PPolyproline II helixtrans-67.1118.9176.8-168.5179.1-164.4167.44.4108.6Y7R5-Y7 HydrophobicContact CB-CE2 4.32Å; R5-Y7 VanDerWaalsContact O-CD2 3.23Å; R5-Y7 WeakPolarHBondContact O-CD2 3.32Å; R5-Y7 WeakPolarHBondContact O-CE2 3.34Å
6S77.3Confident76.2Confident111 Ų111112.7 Ų112.778%0.77661%0.613SS**PPolyproline II helixtrans-67.5146.3170.747.40000110.5L4L4-S6 PolarHBondContact O-N 3.13Å
7Y79.1Confident76.7Confident114 Ų114115.6 Ų115.645%0.44761%0.613SS.*  trans-118.1170.8174.2-66.8-85.2000109.2R5 V11 L13R5-Y7 HydrophobicContact CB-CE2 4.32Å; R5-Y7 VanDerWaalsContact O-CD2 3.23Å; R5-Y7 WeakPolarHBondContact O-CD2 3.32Å; R5-Y7 WeakPolarHBondContact O-CE2 3.34Å; Y7-V11 HydrophobicContact CD1-CG1 4.44Å; Y7-L13 HydrophobicContact CD1-CD1 4.2Å; Y7-L13 HydrophobicContact CD2-CB 3.88Å; Y7-L13 HydrophobicContact CD2-CD1 4.1Å; Y7-L13 HydrophobicContact CE1-CD1 4.02Å; Y7-L13 HydrophobicContact CE2-CB 4.33Å; Y7-L13 HydrophobicContact CE2-CD1 3.91Å; Y7-L13 HydrophobicContact CG-CB 4.22Å; Y7-L13 HydrophobicContact CG-CD1 4.24Å
8N80.6Confident77.3Confident115 Ų115114.7 Ų114.762%0.61561%0.605SS**  trans-81.7144.6171.9179.1-51.3000108.6G10 V11N8-G10 PolarHBondContact O-N 2.79Å; N8-G10 PolarHBondContact OD1-N 2.85Å; N8-V11 WeakPolarHBondContact O-CB 3.39Å; N8-V11 PolarHBondContact O-N 2.78Å
9S74.8Confident77.7Confident13 Ų13112.8 Ų112.89%0.09159%0.593CS.*THydrogen-bonded Turntrans-57.8-13.2176.967.50000114.5V11 R20 E23S9-V11 PolarHBondContact O-N 3.46Å; S9-R20 PolarHBondContact O-NE 3.01Å; S9-R20 PolarHBondContact O-NH2 2.99Å; S9-R20 VanDerWaalsContact O-NH2 3.13Å; S9-E23 VanDerWaalsContact CB-OE1 3.24Å; S9-E23 WeakPolarHBondContact CB-OE1 3.45Å; S9-E23 PolarHBondContact OG-OE1 3.34Å
10G81.4Confident78.1Confident46 Ų46112.8 Ų112.847%0.47458%0.584SS.*THydrogen-bonded Turntrans-62.7-23.5164.600000114.5N8 R20N8-G10 PolarHBondContact O-N 2.79Å; N8-G10 PolarHBondContact OD1-N 2.85Å; G10-R20 PolarHBondContact O-NH2 2.94Å
11V84.7Confident78.5Confident63 Ų63110.2 Ų110.238%0.38257%0.571SS.*SBendtrans-104.4133-174.4-173.10000110.2Y7 N8 S9 L13 W16Y7-V11 HydrophobicContact CD1-CG1 4.44Å; N8-V11 WeakPolarHBondContact O-CB 3.39Å; N8-V11 PolarHBondContact O-N 2.78Å; S9-V11 PolarHBondContact O-N 3.46Å; V11-L13 HydrophobicContact CG1-CB 4.28Å; V11-L13 HydrophobicContact CG1-CD1 3.97Å; V11-L13 HydrophobicContact CG1-CG 4.33Å; V11-L13 PolarHBondContact O-N 2.97Å; V11-W16 WeakPolarHBondContact O-CB 3.36Å
12L86.2Confident80.5Confident110 Ų110104.2 Ų104.258%0.57654%0.543SS*.  trans-83.758.3-175-51.5-179.9000112.2W16L12-W16 VanDerWaalsContact C-CD1 3.4Å; L12-W16 HydrophobicContact CB-CD2 4.32Å; L12-W16 HydrophobicContact CB-CG 4.38Å; L12-W16 HydrophobicContact CD2-CD2 3.6Å; L12-W16 HydrophobicContact CD2-CE3 3.47Å; L12-W16 VanDerWaalsContact CD2-CE3 3.47Å; L12-W16 HydrophobicContact CD2-CG 4.25Å; L12-W16 HydrophobicContact CD2-CH2 4.08Å; L12-W16 HydrophobicContact CD2-CZ2 4.17Å; L12-W16 HydrophobicContact CD2-CZ3 3.74Å
13L81.6Confident81.7Confident88 Ų8899.9 Ų99.946%0.46152%0.518SS..SBendtrans-131.5142.3-179-87.7166.1000111Y7 V11Y7-L13 HydrophobicContact CD1-CD1 4.2Å; Y7-L13 HydrophobicContact CD2-CB 3.88Å; Y7-L13 HydrophobicContact CD2-CD1 4.1Å; Y7-L13 HydrophobicContact CE1-CD1 4.02Å; Y7-L13 HydrophobicContact CE2-CB 4.33Å; Y7-L13 HydrophobicContact CE2-CD1 3.91Å; Y7-L13 HydrophobicContact CG-CB 4.22Å; Y7-L13 HydrophobicContact CG-CD1 4.24Å; V11-L13 HydrophobicContact CG1-CB 4.28Å; V11-L13 HydrophobicContact CG1-CD1 3.97Å; V11-L13 HydrophobicContact CG1-CG 4.33Å; V11-L13 PolarHBondContact O-N 2.97Å
14G83Confident82.5Confident64 Ų64101.1 Ų101.166%0.6651%0.511SS*.SBendtrans66-146.9-174.900000112.4W16G14-W16 VanDerWaalsContact O-CD1 3.29Å; G14-W16 PolarHBondContact O-N 2.54Å
15N85.1Confident83.1Confident100 Ų10098.6 Ų98.654%0.53550%0.495SS..SBendtrans-8235.4-178.2-68.129.7000112.7W17 E18 E19N15-W17 PolarHBondContact O-N 3.02Å; N15-E18 HydrophobicContact CB-CB 4.35Å; N15-E18 HydrophobicContact CB-CG 4.47Å; N15-E18 PolarHBondContact ND2-OE2 2.83Å; N15-E18 PolarHBondContact O-N 2.59Å; N15-E19 PolarHBondContact O-N 3.01Å
16W86.4Confident83.2Confident83 Ų8393.7 Ų93.731%0.31448%0.48SS..Hα-helixtrans-50-28.3-177.468.1-93.9000114.3V11 L12 G14 R20V11-W16 WeakPolarHBondContact O-CB 3.36Å; L12-W16 VanDerWaalsContact C-CD1 3.4Å; L12-W16 HydrophobicContact CB-CD2 4.32Å; L12-W16 HydrophobicContact CB-CG 4.38Å; L12-W16 HydrophobicContact CD2-CD2 3.6Å; L12-W16 HydrophobicContact CD2-CE3 3.47Å; L12-W16 VanDerWaalsContact CD2-CE3 3.47Å; L12-W16 HydrophobicContact CD2-CG 4.25Å; L12-W16 HydrophobicContact CD2-CH2 4.08Å; L12-W16 HydrophobicContact CD2-CZ2 4.17Å; L12-W16 HydrophobicContact CD2-CZ3 3.74Å; G14-W16 VanDerWaalsContact O-CD1 3.29Å; G14-W16 PolarHBondContact O-N 2.54Å; W16-R20 WeakPolarHBondContact O-CB 3.37Å; W16-R20 VanDerWaalsContact O-CG 3.32Å; W16-R20 WeakPolarHBondContact O-CG 3.42Å; W16-R20 PolarHBondContact O-N 3.12Å
17W85.6Confident83.3Confident163 Ų16393 Ų9362%0.61746%0.463SS*.Hα-helixtrans-73.2-44.2178.4-176.585000111.9N15 R20 I21N15-W17 PolarHBondContact O-N 3.02Å; W17-R20 PolarHBondContact O-N 3.02Å; W17-I21 HydrophobicContact CD2-CD1 3.79Å; W17-I21 HydrophobicContact CE3-CD1 3.81Å; W17-I21 HydrophobicContact CH2-CD1 3.49Å; W17-I21 VanDerWaalsContact CH2-CD1 3.49Å; W17-I21 HydrophobicContact CZ2-CD1 3.46Å; W17-I21 VanDerWaalsContact CZ2-CD1 3.46Å; W17-I21 HydrophobicContact CZ3-CD1 3.66Å; W17-I21 WeakPolarHBondContact O-CG1 3.24Å; W17-I21 PolarHBondContact O-N 2.82Å
18E87.1Confident83Confident98 Ų9890.7 Ų90.746%0.45846%0.464SS..Hα-helixtrans-67.3-43.9174.1-60.3178.3165.100110.3N15 R20 I21 L22N15-E18 HydrophobicContact CB-CB 4.35Å; N15-E18 HydrophobicContact CB-CG 4.47Å; N15-E18 PolarHBondContact ND2-OE2 2.83Å; N15-E18 PolarHBondContact O-N 2.59Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.36Å; E18-I21 PolarHBondContact O-N 2.94Å; E18-I21 VanDerWaalsContact O-N 3.12Å; E18-L22 WeakPolarHBondContact O-CB 3.19Å; E18-L22 WeakPolarHBondContact O-CG 3.07Å; E18-L22 PolarHBondContact O-N 3.42Å
19E85.4Confident82.5Confident80 Ų8087.2 Ų87.237%0.37445%0.451SS..Hα-helixtrans-57.8-41.4175-68.9178177.600111.9N15 E23N15-E19 PolarHBondContact O-N 3.01Å; E19-E23 WeakPolarHBondContact O-CB 3.49Å; E19-E23 PolarHBondContact O-N 2.93Å
20R84.4Confident81.8Confident112 Ų11292.9 Ų92.942%0.42347%0.47SS..Hα-helixtrans-70.3-32.5175.3-81.9-171.9179.7-159.7-0.1113.8S9 G10 W16 W17 E18 K24S9-R20 PolarHBondContact O-NE 3.01Å; S9-R20 PolarHBondContact O-NH2 2.99Å; S9-R20 VanDerWaalsContact O-NH2 3.13Å; G10-R20 PolarHBondContact O-NH2 2.94Å; W16-R20 WeakPolarHBondContact O-CB 3.37Å; W16-R20 VanDerWaalsContact O-CG 3.32Å; W16-R20 WeakPolarHBondContact O-CG 3.42Å; W16-R20 PolarHBondContact O-N 3.12Å; W17-R20 PolarHBondContact O-N 3.02Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.36Å; R20-K24 VanDerWaalsContact O-CB 3.25Å; R20-K24 WeakPolarHBondContact O-CB 3.25Å; R20-K24 PolarHBondContact O-N 3.43Å
21I87Confident80.6Confident59 Ų5997.5 Ų97.530%0.30348%0.478SS..Hα-helixtrans-69.3-48.6173.5-73172000109.4W17 E18 E23 K24 E25W17-I21 HydrophobicContact CD2-CD1 3.79Å; W17-I21 HydrophobicContact CE3-CD1 3.81Å; W17-I21 HydrophobicContact CH2-CD1 3.49Å; W17-I21 VanDerWaalsContact CH2-CD1 3.49Å; W17-I21 HydrophobicContact CZ2-CD1 3.46Å; W17-I21 VanDerWaalsContact CZ2-CD1 3.46Å; W17-I21 HydrophobicContact CZ3-CD1 3.66Å; W17-I21 WeakPolarHBondContact O-CG1 3.24Å; W17-I21 PolarHBondContact O-N 2.82Å; E18-I21 PolarHBondContact O-N 2.94Å; E18-I21 VanDerWaalsContact O-N 3.12Å; I21-E23 PolarHBondContact O-N 3.24Å; I21-K24 CarbonylContact O-C 3.59Å; I21-K24 WeakPolarHBondContact O-CA 3.23Å; I21-K24 PolarHBondContact O-N 2.8Å; I21-E25 HydrophobicContact CG2-CG 4.23Å; I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.46Å
22L86.6Confident79.4Confident115 Ų11597.8 Ų97.860%0.60248%0.482SS*.Hα-helixtrans-58.2-44.6175-72.7169000111.9E18 K24 E25 E26E18-L22 WeakPolarHBondContact O-CB 3.19Å; E18-L22 WeakPolarHBondContact O-CG 3.07Å; E18-L22 PolarHBondContact O-N 3.42Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.31Å; L22-E25 PolarHBondContact O-N 2.93Å; L22-E26 VanDerWaalsContact O-CB 3.22Å; L22-E26 WeakPolarHBondContact O-CB 3.04Å; L22-E26 PolarHBondContact O-N 2.78Å
23E83.8Confident77.9Confident70 Ų7098.3 Ų98.333%0.32748%0.48SS..Hα-helixtrans-61.7-36.6173.1-91.8-165.8-136.300112.6S9 E19 I21 K27S9-E23 VanDerWaalsContact CB-OE1 3.24Å; S9-E23 WeakPolarHBondContact CB-OE1 3.45Å; S9-E23 PolarHBondContact OG-OE1 3.34Å; E19-E23 WeakPolarHBondContact O-CB 3.49Å; E19-E23 PolarHBondContact O-N 2.93Å; I21-E23 PolarHBondContact O-N 3.24Å; E23-K27 VanDerWaalsContact O-CB 3.23Å; E23-K27 WeakPolarHBondContact O-CB 3.22Å; E23-K27 WeakPolarHBondContact O-CD 3.01Å; E23-K27 WeakPolarHBondContact O-CG 3.46Å; E23-K27 PolarHBondContact O-N 3.05Å; E23-K27 IonicContact OE2-NZ 2.59Å; E23-K27 PolarHBondContact OE2-NZ 3.2Å
24K86Confident76.5Confident149 Ų14997.2 Ų97.265%0.64847%0.474SS*.Hα-helixtrans-74.6-40.5179.3-173.5-176.5176.7-170.20111.4R20 I21 L22 K27 S28R20-K24 VanDerWaalsContact O-CB 3.25Å; R20-K24 WeakPolarHBondContact O-CB 3.25Å; R20-K24 PolarHBondContact O-N 3.43Å; I21-K24 CarbonylContact O-C 3.59Å; I21-K24 WeakPolarHBondContact O-CA 3.23Å; I21-K24 PolarHBondContact O-N 2.8Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.31Å; K24-K27 PolarHBondContact O-N 3.39Å; K24-S28 WeakPolarHBondContact O-CB 3.34Å; K24-S28 PolarHBondContact O-N 2.75Å; K24-S28 PolarHBondContact O-OG 2.75Å; K24-S28 VanDerWaalsContact O-OG 3.05Å
25E83.2Confident75Confident119 Ų119102 Ų10256%0.55648%0.479SS*.Hα-helixtrans-68.5-41.2175.3-72.5-178171.600111I21 L22 S28 A29I21-E25 HydrophobicContact CG2-CG 4.23Å; I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.46Å; L22-E25 PolarHBondContact O-N 2.93Å; E25-S28 PolarHBondContact O-N 3.09Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 3.2Å
26E78.7Confident73.5Confident96 Ų96102.3 Ų102.345%0.44948%0.481SS..Hα-helixtrans-65.7-41.1173.4-158-158.2-17700111L22 A29 R30L22-E26 VanDerWaalsContact O-CB 3.22Å; L22-E26 WeakPolarHBondContact O-CB 3.04Å; L22-E26 PolarHBondContact O-N 2.78Å; E26-A29 PolarHBondContact O-N 3.43Å; E26-R30 VanDerWaalsContact CD-CZ 3.45Å; E26-R30 VanDerWaalsContact CD-NE 3.29Å; E26-R30 VanDerWaalsContact O-CB 3.23Å; E26-R30 WeakPolarHBondContact O-CB 3.01Å; E26-R30 WeakPolarHBondContact O-CG 3.42Å; E26-R30 PolarHBondContact O-N 2.76Å; E26-R30 IonicContact OE1-CZ 3.25Å; E26-R30 VanDerWaalsContact OE1-CZ 3.25Å; E26-R30 IonicContact OE1-NE 3.6Å; E26-R30 PolarHBondContact OE1-NE 2.84Å; E26-R30 VanDerWaalsContact OE1-NE 3.09Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.12Å; E26-R30 IonicContact OE2-CZ 3.37Å; E26-R30 IonicContact OE2-NE 3.8Å; E26-R30 IonicContact OE2-NH2 2.93Å; E26-R30 PolarHBondContact OE2-NH2 2.75Å
27K77.8Confident71.8Confident97 Ų97102.6 Ų102.642%0.42249%0.486SS..Hα-helixtrans-63.2-45172.5-74.3162.1-160.1167.90111.7E23 K24 R30 F31E23-K27 VanDerWaalsContact O-CB 3.23Å; E23-K27 WeakPolarHBondContact O-CB 3.22Å; E23-K27 WeakPolarHBondContact O-CD 3.01Å; E23-K27 WeakPolarHBondContact O-CG 3.46Å; E23-K27 PolarHBondContact O-N 3.05Å; E23-K27 IonicContact OE2-NZ 2.59Å; E23-K27 PolarHBondContact OE2-NZ 3.2Å; K24-K27 PolarHBondContact O-N 3.39Å; K27-R30 CarbonylContact O-C 3.51Å; K27-R30 PolarHBondContact O-N 3.01Å; K27-F31 HydrophobicContact CB-CD2 4.47Å; K27-F31 HydrophobicContact CB-CE2 4.44Å; K27-F31 WeakPolarHBondContact O-CB 3.44Å; K27-F31 WeakPolarHBondContact O-CD2 3.11Å; K27-F31 WeakPolarHBondContact O-CG 3.37Å; K27-F31 PolarHBondContact O-N 3.07Å
28S74.5Confident70.1Confident65 Ų6598 Ų9846%0.45548%0.476SS..Hα-helixtrans-63.6-41.5176.4-69.70000112.5K24 E25 F31 S32K24-S28 WeakPolarHBondContact O-CB 3.34Å; K24-S28 PolarHBondContact O-N 2.75Å; K24-S28 PolarHBondContact O-OG 2.75Å; K24-S28 VanDerWaalsContact O-OG 3.05Å; E25-S28 PolarHBondContact O-N 3.09Å; S28-F31 PolarHBondContact O-N 3.3Å; S28-F31 VanDerWaalsContact O-N 3.12Å; S28-S32 PolarHBondContact O-N 3.16Å; S28-S32 PolarHBondContact O-OG 2.72Å
29A69.6Low69Low41 Ų4196.1 Ų96.134%0.33947%0.473SS..Hα-helixtrans-71.2-30.8176.400000112.2E25 E26 S32 K33E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 3.2Å; E26-A29 PolarHBondContact O-N 3.43Å; A29-S32 PolarHBondContact O-OG 3.08Å; A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 WeakPolarHBondContact O-CD 3.17Å; A29-K33 WeakPolarHBondContact O-CG 3.4Å; A29-K33 PolarHBondContact O-N 3.15Å; A29-K33 VanDerWaalsContact O-N 3.08Å
30R59Low67.9Low133 Ų13392.5 Ų92.550%0.50246%0.457SS..Hα-helixtrans-68.7-36.5165.4-72.7168.3-175.8-1676.8110.6E26 K27 K33 N34E26-R30 VanDerWaalsContact CD-CZ 3.45Å; E26-R30 VanDerWaalsContact CD-NE 3.29Å; E26-R30 VanDerWaalsContact O-CB 3.23Å; E26-R30 WeakPolarHBondContact O-CB 3.01Å; E26-R30 WeakPolarHBondContact O-CG 3.42Å; E26-R30 PolarHBondContact O-N 2.76Å; E26-R30 IonicContact OE1-CZ 3.25Å; E26-R30 VanDerWaalsContact OE1-CZ 3.25Å; E26-R30 IonicContact OE1-NE 3.6Å; E26-R30 PolarHBondContact OE1-NE 2.84Å; E26-R30 VanDerWaalsContact OE1-NE 3.09Å; E26-R30 IonicContact OE1-NH2 2.68Å; E26-R30 PolarHBondContact OE1-NH2 3.12Å; E26-R30 IonicContact OE2-CZ 3.37Å; E26-R30 IonicContact OE2-NE 3.8Å; E26-R30 IonicContact OE2-NH2 2.93Å; E26-R30 PolarHBondContact OE2-NH2 2.75Å; K27-R30 CarbonylContact O-C 3.51Å; K27-R30 PolarHBondContact O-N 3.01Å; R30-K33 CarbonylContact O-C 3.54Å; R30-N34 WeakPolarHBondContact O-CA 3.35Å; R30-N34 WeakPolarHBondContact O-CB 3.45Å; R30-N34 PolarHBondContact O-N 2.97Å; R30-N34 PolarHBondContact O-ND2 2.87Å; R30-N34 PolarHBondContact O-OD1 3Å
31F57.4Low67.2Low143 Ų14390.5 Ų90.563%0.62746%0.458SS*.Hα-helixtrans-71.5-44.1178.5-83-61.6000113.2K27 S28 N34 E35K27-F31 HydrophobicContact CB-CD2 4.47Å; K27-F31 HydrophobicContact CB-CE2 4.44Å; K27-F31 WeakPolarHBondContact O-CB 3.44Å; K27-F31 WeakPolarHBondContact O-CD2 3.11Å; K27-F31 WeakPolarHBondContact O-CG 3.37Å; K27-F31 PolarHBondContact O-N 3.07Å; S28-F31 PolarHBondContact O-N 3.3Å; S28-F31 VanDerWaalsContact O-N 3.12Å; F31-N34 WeakPolarHBondContact O-CA 3.47Å; F31-N34 WeakPolarHBondContact O-CB 3.39Å; F31-N34 PolarHBondContact O-N 2.88Å; F31-N34 VanDerWaalsContact O-N 3.09Å; F31-E35 PolarHBondContact O-N 3.43Å
32S59.4Low66.1Low68 Ų6892.1 Ų92.148%0.47646%0.464SS..Hα-helixtrans-65.5-46.2173.1580000111.1S28 A29 N34 E35S28-S32 PolarHBondContact O-N 3.16Å; S28-S32 PolarHBondContact O-OG 2.72Å; A29-S32 PolarHBondContact O-OG 3.08Å; S32-N34 PolarHBondContact O-N 3.15Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.07Å
33K55.1Low65.2Low121 Ų12187 Ų8753%0.52644%0.437SS..Hα-helixtrans-61.5-24.1170-70.4173.6-176.7177.80112.6A29 R30 Q37A29-K33 WeakPolarHBondContact O-CB 3.49Å; A29-K33 WeakPolarHBondContact O-CD 3.17Å; A29-K33 WeakPolarHBondContact O-CG 3.4Å; A29-K33 PolarHBondContact O-N 3.15Å; A29-K33 VanDerWaalsContact O-N 3.08Å; R30-K33 CarbonylContact O-C 3.54Å; K33-Q37 WeakPolarHBondContact O-CA 3.19Å; K33-Q37 WeakPolarHBondContact O-CB 3.23Å; K33-Q37 WeakPolarHBondContact O-CG 3.23Å; K33-Q37 PolarHBondContact O-N 2.74Å
34N51.6Low64.7Low66 Ų6685.2 Ų85.235%0.35343%0.429SS..Hα-helixtrans-74.6-26175.5-80.3-17.5000111.6R30 F31 S32 V38R30-N34 WeakPolarHBondContact O-CA 3.35Å; R30-N34 WeakPolarHBondContact O-CB 3.45Å; R30-N34 PolarHBondContact O-N 2.97Å; R30-N34 PolarHBondContact O-ND2 2.87Å; R30-N34 PolarHBondContact O-OD1 3Å; F31-N34 WeakPolarHBondContact O-CA 3.47Å; F31-N34 WeakPolarHBondContact O-CB 3.39Å; F31-N34 PolarHBondContact O-N 2.88Å; F31-N34 VanDerWaalsContact O-N 3.09Å; S32-N34 PolarHBondContact O-N 3.15Å; N34-V38 WeakPolarHBondContact O-CA 3.49Å; N34-V38 WeakPolarHBondContact O-CB 3.47Å; N34-V38 WeakPolarHBondContact O-CG2 3.23Å; N34-V38 PolarHBondContact O-N 3.44Å
35E50.9Low64Low163 Ų16380.1 Ų80.176%0.76241%0.412SS*.Hα-helixtrans-66.3-43.6172.9-64-169.1136.100110F31 S32 S39F31-E35 PolarHBondContact O-N 3.43Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.07Å; E35-S39 PolarHBondContact O-N 3.2Å
36D53.3Low63.3Low108 Ų10876 Ų7658%0.57839%0.394SS*.Hα-helixtrans-73-39.9174.5-62-41.3000113.7S39 S40D36-S39 VanDerWaalsContact O-CB 3.28Å; D36-S39 WeakPolarHBondContact O-CB 3.29Å; D36-S39 PolarHBondContact O-N 3.09Å; D36-S40 PolarHBondContact O-N 2.77Å; D36-S40 PolarHBondContact O-OG 2.68Å
37Q50.9Low63.2Low88 Ų8871.7 Ų71.741%0.41137%0.374SS..Hα-helixtrans-77.3-24.6178.7-72.2178.910.900112.5K33 S39 S40 T41K33-Q37 WeakPolarHBondContact O-CA 3.19Å; K33-Q37 WeakPolarHBondContact O-CB 3.23Å; K33-Q37 WeakPolarHBondContact O-CG 3.23Å; K33-Q37 PolarHBondContact O-N 2.74Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; Q37-S40 PolarHBondContact O-N 3.09Å; Q37-T41 VanDerWaalsContact O-CB 3.28Å; Q37-T41 WeakPolarHBondContact O-CB 3.48Å; Q37-T41 VanDerWaalsContact O-CG2 3.3Å; Q37-T41 WeakPolarHBondContact O-CG2 3.13Å; Q37-T41 PolarHBondContact O-N 3.49Å; Q37-T41 PolarHBondContact O-OG1 3.47Å
38V51.2Low63.3Low66 Ų6669.8 Ų69.840%0.437%0.371SS..Hα-helixtrans-65.5-39.6168164.20000109.1N34 T41 Q42N34-V38 WeakPolarHBondContact O-CA 3.49Å; N34-V38 WeakPolarHBondContact O-CB 3.47Å; N34-V38 WeakPolarHBondContact O-CG2 3.23Å; N34-V38 PolarHBondContact O-N 3.44Å; V38-T41 WeakPolarHBondContact CA-OG1 3.28Å; V38-T41 PolarHBondContact O-OG1 3.48Å; V38-Q42 HydrophobicContact CG1-CG 4.2Å; V38-Q42 WeakPolarHBondContact O-CB 3.3Å; V38-Q42 WeakPolarHBondContact O-CG 3.14Å; V38-Q42 PolarHBondContact O-N 2.87Å
39S62.9Low63.5Low59 Ų5972.5 Ų72.541%0.41338%0.376SS..Hα-helixtrans-58.7-49.5170.1-1660000111.3E35 D36 Q37 F43E35-S39 PolarHBondContact O-N 3.2Å; D36-S39 VanDerWaalsContact O-CB 3.28Å; D36-S39 WeakPolarHBondContact O-CB 3.29Å; D36-S39 PolarHBondContact O-N 3.09Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; S39-F43 VanDerWaalsContact O-CB 3.29Å; S39-F43 WeakPolarHBondContact O-CB 3.17Å; S39-F43 PolarHBondContact O-N 2.91Å
40S63.4Low63.7Low4 Ų471 Ų713%0.02836%0.363CS..Hα-helixtrans-71-31.4-177.9-56.30000114.6D36 Q37 F43 L44 T108D36-S40 PolarHBondContact O-N 2.77Å; D36-S40 PolarHBondContact O-OG 2.68Å; Q37-S40 PolarHBondContact O-N 3.09Å; S40-F43 PolarHBondContact O-N 3.45Å; S40-L44 WeakPolarHBondContact O-CG 3.06Å; S40-L44 PolarHBondContact O-N 2.73Å; S40-T108 WeakPolarHBondContact CB-O 3.19Å; S40-T108 PolarHBondContact OG-O 3.47Å
41T68Low64.6Low71 Ų7164.7 Ų64.744%0.43634%0.339SS..Hα-helixtrans-82.3-36.7177.952.90000112.2Q37 V38 F43 L44 S45 T108Q37-T41 VanDerWaalsContact O-CB 3.28Å; Q37-T41 WeakPolarHBondContact O-CB 3.48Å; Q37-T41 VanDerWaalsContact O-CG2 3.3Å; Q37-T41 WeakPolarHBondContact O-CG2 3.13Å; Q37-T41 PolarHBondContact O-N 3.49Å; Q37-T41 PolarHBondContact O-OG1 3.47Å; V38-T41 WeakPolarHBondContact CA-OG1 3.28Å; V38-T41 PolarHBondContact O-OG1 3.48Å; T41-F43 PolarHBondContact O-N 2.67Å; T41-L44 PolarHBondContact O-N 3.32Å; T41-S45 PolarHBondContact O-N 3.31Å; T41-T108 HydrophobicContact CG2-CG2 4.31Å
42Q65.2Low65.6Low92 Ų9259.7 Ų59.743%0.4332%0.321SS..Hα-helixtrans-61.8-34.9164.3-71.5178.612.400111.2V38 S45 L46V38-Q42 HydrophobicContact CG1-CG 4.2Å; V38-Q42 WeakPolarHBondContact O-CB 3.3Å; V38-Q42 WeakPolarHBondContact O-CG 3.14Å; V38-Q42 PolarHBondContact O-N 2.87Å; Q42-S45 PolarHBondContact O-OG 3.39Å; Q42-S45 VanDerWaalsContact O-OG 3.09Å; Q42-L46 VanDerWaalsContact O-CB 3.29Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 WeakPolarHBondContact O-CD1 3.13Å; Q42-L46 VanDerWaalsContact O-CG 3.23Å; Q42-L46 WeakPolarHBondContact O-CG 3.1Å; Q42-L46 PolarHBondContact O-N 2.93Å
43F66.8Low66.5Low8 Ų859 Ų594%0.03531%0.314CS..Hα-helixtrans-66.7-45.4174.2-168.2-90.9000112.1S39 S40 T41 L46 L47 L111 I118 L181S39-F43 VanDerWaalsContact O-CB 3.29Å; S39-F43 WeakPolarHBondContact O-CB 3.17Å; S39-F43 PolarHBondContact O-N 2.91Å; S40-F43 PolarHBondContact O-N 3.45Å; T41-F43 PolarHBondContact O-N 2.67Å; F43-L46 CarbonylContact O-C 3.58Å; F43-L46 PolarHBondContact O-N 2.82Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CD2 4.45Å; F43-L47 HydrophobicContact CD1-CG 3.81Å; F43-L47 HydrophobicContact CE1-CD1 3.54Å; F43-L47 HydrophobicContact CE1-CD2 3.59Å; F43-L47 HydrophobicContact CE1-CG 3.4Å; F43-L47 HydrophobicContact CZ-CD2 3.81Å; F43-L47 HydrophobicContact CZ-CG 4.08Å; F43-L47 PolarHBondContact O-N 3.11Å; F43-L111 HydrophobicContact CD1-CD1 3.5Å; F43-L111 HydrophobicContact CD1-CD2 3.57Å; F43-L111 HydrophobicContact CD1-CG 4.09Å; F43-L111 HydrophobicContact CE1-CD1 4.1Å; F43-L111 HydrophobicContact CE1-CD2 3.46Å; F43-L111 VanDerWaalsContact CE1-CD2 3.46Å; F43-L111 HydrophobicContact CE1-CG 4.41Å; F43-L111 HydrophobicContact CG-CD1 4.45Å; F43-L111 HydrophobicContact CG-CD2 4.48Å; F43-L111 HydrophobicContact CZ-CD2 4.37Å; F43-I118 HydrophobicContact CD2-CD1 4.43Å; F43-I118 HydrophobicContact CE1-CB 4.48Å; F43-I118 HydrophobicContact CE1-CG1 4.23Å; F43-I118 HydrophobicContact CE1-CG2 3.71Å; F43-I118 HydrophobicContact CE2-CD1 3.52Å; F43-I118 HydrophobicContact CE2-CG1 3.89Å; F43-I118 HydrophobicContact CZ-CB 3.96Å; F43-I118 HydrophobicContact CZ-CD1 3.68Å; F43-I118 HydrophobicContact CZ-CG1 3.62Å; F43-I118 HydrophobicContact CZ-CG2 3.63Å; F43-L181 HydrophobicContact CD2-CD1 3.59Å; F43-L181 HydrophobicContact CD2-CD2 3.46Å; F43-L181 VanDerWaalsContact CD2-CD2 3.46Å; F43-L181 HydrophobicContact CD2-CG 4.02Å; F43-L181 HydrophobicContact CE2-CD1 4.29Å; F43-L181 HydrophobicContact CE2-CD2 4.01Å; F43-L181 HydrophobicContact CG-CD2 4.49Å
44L73.1Confident67.6Low33 Ų3358.2 Ų58.217%0.17331%0.314CS..Hα-helixtrans-61.7-43.6175.5-76.3174000112S40 T41 L46 L47 T48 L107 T108 L111S40-L44 WeakPolarHBondContact O-CG 3.06Å; S40-L44 PolarHBondContact O-N 2.73Å; T41-L44 PolarHBondContact O-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.25Å; L44-L47 HydrophobicContact CD2-CD1 4.38Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-T48 PolarHBondContact O-N 3.43Å; L44-T48 PolarHBondContact O-OG1 3.41Å; L44-T48 VanDerWaalsContact O-OG1 3.06Å; L44-L107 HydrophobicContact CD2-CB 3.77Å; L44-L107 HydrophobicContact CD2-CD1 4.04Å; L44-T108 HydrophobicContact CD1-CG2 4.32Å; L44-T108 WeakPolarHBondContact CD1-OG1 3.41Å; L44-L111 HydrophobicContact CD2-CD1 3.82Å; L44-L111 HydrophobicContact CG-CD1 4.04Å
45S72.3Confident68.8Low42 Ų4256.2 Ų56.229%0.29430%0.303SS..Hα-helixtrans-62.1-42.7175.476.40000111T41 Q42 L47 T48 E49T41-S45 PolarHBondContact O-N 3.31Å; Q42-S45 PolarHBondContact O-OG 3.39Å; Q42-S45 VanDerWaalsContact O-OG 3.09Å; S45-L47 PolarHBondContact O-N 3.12Å; S45-T48 WeakPolarHBondContact CA-OG1 3.28Å; S45-T48 PolarHBondContact O-N 2.71Å; S45-T48 PolarHBondContact O-OG1 3.03Å; S45-E49 WeakPolarHBondContact O-CB 3.4Å; S45-E49 VanDerWaalsContact O-CG 3.26Å; S45-E49 WeakPolarHBondContact O-CG 3.28Å; S45-E49 PolarHBondContact O-N 3.21Å
46L69.1Low69.7Low33 Ų3357.6 Ų57.617%0.17331%0.309CS..Hα-helixtrans-62.2-38.7173.8-76.6167.8000113Q42 F43 L44 S50 L181Q42-L46 VanDerWaalsContact O-CB 3.29Å; Q42-L46 WeakPolarHBondContact O-CB 3.36Å; Q42-L46 WeakPolarHBondContact O-CD1 3.13Å; Q42-L46 VanDerWaalsContact O-CG 3.23Å; Q42-L46 WeakPolarHBondContact O-CG 3.1Å; Q42-L46 PolarHBondContact O-N 2.93Å; F43-L46 CarbonylContact O-C 3.58Å; F43-L46 PolarHBondContact O-N 2.82Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.25Å; L46-S50 WeakPolarHBondContact O-CA 3.45Å; L46-S50 WeakPolarHBondContact O-CB 3.5Å; L46-S50 PolarHBondContact O-N 3.23Å; L46-S50 PolarHBondContact O-OG 3Å; L46-L181 HydrophobicContact CD1-CD1 3.4Å
47L76.3Confident70.4Confident4 Ų453.5 Ų53.52%0.02129%0.289CS..Hα-helixtrans-62.5-48.2172-72.8-175.8000111.2F43 L44 S45 I51 I101 L271F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CD2 4.45Å; F43-L47 HydrophobicContact CD1-CG 3.81Å; F43-L47 HydrophobicContact CE1-CD1 3.54Å; F43-L47 HydrophobicContact CE1-CD2 3.59Å; F43-L47 HydrophobicContact CE1-CG 3.4Å; F43-L47 HydrophobicContact CZ-CD2 3.81Å; F43-L47 HydrophobicContact CZ-CG 4.08Å; F43-L47 PolarHBondContact O-N 3.11Å; L44-L47 HydrophobicContact CD2-CD1 4.38Å; L44-L47 PolarHBondContact O-N 2.97Å; S45-L47 PolarHBondContact O-N 3.12Å; L47-I51 HydrophobicContact CD2-CD1 3.44Å; L47-I51 VanDerWaalsContact CD2-CD1 3.44Å; L47-I51 WeakPolarHBondContact O-CB 3.01Å; L47-I101 HydrophobicContact CD1-CD1 3.76Å; L47-I101 HydrophobicContact CD2-CD1 4.04Å; L47-I101 HydrophobicContact CG-CD1 4.45Å; L47-L271 HydrophobicContact CB-CD2 3.75Å; L47-L271 HydrophobicContact CD1-CD2 3.7Å; L47-L271 HydrophobicContact CG-CD2 4.41Å
48T78.6Confident71.1Confident58 Ų5853 Ų5336%0.35630%0.295SS..Hα-helixtrans-71.8-29.4-176.550.90000113.9L44 S45 P52 L271L44-T48 PolarHBondContact O-N 3.43Å; L44-T48 PolarHBondContact O-OG1 3.41Å; L44-T48 VanDerWaalsContact O-OG1 3.06Å; S45-T48 WeakPolarHBondContact CA-OG1 3.28Å; S45-T48 PolarHBondContact O-N 2.71Å; S45-T48 PolarHBondContact O-OG1 3.03Å; T48-P52 WeakPolarHBondContact O-CD 3.29Å; T48-P52 WeakPolarHBondContact O-CG 3.47Å; T48-L271 HydrophobicContact CG2-CD1 3.69Å; T48-L271 HydrophobicContact CG2-CD2 4.34Å; T48-L271 HydrophobicContact CG2-CG 3.81Å
49E78.5Confident71.7Confident122 Ų12252.7 Ų52.757%0.5730%0.299SS*.Hα-helixtrans-95.3-55.3-177.3-66.6170.2-167.400111.2S45 P52 T53S45-E49 WeakPolarHBondContact O-CB 3.4Å; S45-E49 VanDerWaalsContact O-CG 3.26Å; S45-E49 WeakPolarHBondContact O-CG 3.28Å; S45-E49 PolarHBondContact O-N 3.21Å; E49-P52 WeakPolarHBondContact O-CD 3.31Å; E49-T53 WeakPolarHBondContact O-CG2 3.21Å; E49-T53 PolarHBondContact O-N 2.89Å
50S73.8Confident72Confident9 Ų951.8 Ų51.86%0.06329%0.289CS..Hα-helixtrans-74.2-43.3-167.475.80000114L46 T53L46-S50 WeakPolarHBondContact O-CA 3.45Å; L46-S50 WeakPolarHBondContact O-CB 3.5Å; L46-S50 PolarHBondContact O-N 3.23Å; L46-S50 PolarHBondContact O-OG 3Å; S50-T53 PolarHBondContact O-N 2.88Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 PolarHBondContact O-OG1 3.27Å
51I79.5Confident72.3Confident0 Ų054 Ų540%030%0.303CS..THydrogen-bonded Turntrans-62.6-42.9-176.1-69.4179.8000112.7L47 A140 K141 I173 F272L47-I51 HydrophobicContact CD2-CD1 3.44Å; L47-I51 VanDerWaalsContact CD2-CD1 3.44Å; L47-I51 WeakPolarHBondContact O-CB 3.01Å; I51-A140 PolarHBondContact O-N 2.74Å; I51-K141 HydrophobicContact CG2-CB 3.66Å; I51-K141 HydrophobicContact CG2-CG 4Å; I51-K141 PolarHBondContact O-N 3.04Å; I51-K141 VanDerWaalsContact O-N 3.11Å; I51-I173 HydrophobicContact CD1-CD1 4.09Å; I51-I173 HydrophobicContact CD1-CG2 4.18Å; I51-I173 HydrophobicContact CG1-CD1 4.19Å; I51-I173 HydrophobicContact CG1-CG1 4.21Å; I51-I173 HydrophobicContact CG1-CG2 3.95Å; I51-F272 HydrophobicContact CB-CE1 4.08Å; I51-F272 HydrophobicContact CB-CZ 4.41Å; I51-F272 HydrophobicContact CG2-CE1 3.8Å; I51-F272 HydrophobicContact CG2-CZ 3.85Å
52P77.6Confident72.7Confident39 Ų3957.3 Ų57.325%0.25333%0.329SS..THydrogen-bonded Turntrans-85.1-3.2174.133.6-35.6000114.7T48 E49 F272T48-P52 WeakPolarHBondContact O-CD 3.29Å; T48-P52 WeakPolarHBondContact O-CG 3.47Å; E49-P52 WeakPolarHBondContact O-CD 3.31Å; P52-F272 HydrophobicContact CG-CD1 4.28Å
53T77.3Confident73.7Confident53 Ų5355.8 Ų55.833%0.32532%0.324SS..SBendtrans-60149.3172.560.30000111.4E49 S50 I55 S139 K176E49-T53 WeakPolarHBondContact O-CG2 3.21Å; E49-T53 PolarHBondContact O-N 2.89Å; S50-T53 PolarHBondContact O-N 2.88Å; S50-T53 VanDerWaalsContact O-N 3.16Å; S50-T53 PolarHBondContact O-OG1 3.27Å; T53-I55 WeakPolarHBondContact O-CD1 3.26Å; T53-S139 WeakPolarHBondContact O-CA 3.45Å; T53-S139 WeakPolarHBondContact O-CB 3.32Å; T53-K176 PolarHBondContact OG1-NZ 2.93Å
54M78.8Confident74.7Confident105 Ų10556.7 Ų56.752%0.51734%0.335SS..BIsolated β-bridgetrans-68.3137.7174.8-169.8-178.1178.600111.1P138M54-P138 CarbonylContact C-O 3.53Å; M54-P138 VanDerWaalsContact CA-O 3.28Å; M54-P138 WeakPolarHBondContact CA-O 3.39Å; M54-P138 HydrophobicContact CE-CG 3.95Å; M54-P138 HydrophobicContact CG-CG 4.31Å
55I77.5Confident75.6Confident24 Ų2458.5 Ų58.512%0.12334%0.34CS..  trans-118142.7173.6-76.3111.9000110.3T53 C57 P138 A140 I172T53-I55 WeakPolarHBondContact O-CD1 3.26Å; I55-C57 PolarHBondContact O-N 2.79Å; I55-P138 PolarHBondContact N-O 3.26Å; I55-A140 HydrophobicContact CD1-CB 3.91Å; I55-A140 VanDerWaalsContact CD1-N 3.29Å; I55-I172 HydrophobicContact CB-CG2 4.42Å; I55-I172 HydrophobicContact CD1-CG2 3.43Å; I55-I172 VanDerWaalsContact CD1-CG2 3.43Å; I55-I172 HydrophobicContact CG1-CG2 3.74Å; I55-I172 HydrophobicContact CG2-CG2 4.24Å
56Q69.8Low76.5Confident192 Ų19256.5 Ų56.590%0.89733%0.326SS*.  trans-81.7110.9167.5-65.4-177.3-2.500108.8
57C68.3Low77.5Confident21 Ų2158.3 Ų58.314%0.14233%0.331CS..PPolyproline II helixtrans-89.8161.5174.1-65.70000112.1I55 A301I55-C57 PolarHBondContact O-N 2.79Å; C57-A301 HydrophobicContact CB-CB 3.46Å; C57-A301 VanDerWaalsContact CB-CB 3.46Å; C57-A301 WeakPolarHBondContact SG-CB 3.38Å
58S65.8Low78.2Confident79 Ų7958.3 Ų58.355%0.55233%0.331SS*.PPolyproline II helixtrans-57.9141.8175.143.40000111.5
59A63.5Low78.6Confident58 Ų5856.7 Ų56.748%0.47933%0.326SS..PPolyproline II helixtrans-69.4146.5175.700000111K302A59-K302 HydrophobicContact CB-CD 3.86Å
60M68.7Low79Confident41 Ų4151.8 Ų51.820%0.20231%0.305CS..PPolyproline II helixtrans-60.1149.8168.7-72.1-58.3-71.400111.5Y65 L66 S300M60-Y65 WeakPolarHBondContact CE-O 3.28Å; M60-L66 HydrophobicContact CE-CD2 4.34Å; M60-S300 VanDerWaalsContact CG-OG 3.3Å; M60-S300 WeakPolarHBondContact CG-OG 3.28Å
61P70.5Confident79.7Confident51 Ų5152 Ų5233%0.33131%0.305SS..PPolyproline II helixtrans-54.9150.3155.123.8-30.9000111D63 G64P61-D63 PolarHBondContact O-N 2.98Å; P61-G64 PolarHBondContact O-N 3.06Å
62S76.3Confident80.3Confident139 Ų13952 Ų5297%0.97231%0.305SS*.THydrogen-bonded Turntrans-69.40.7-171.949.40000115.4
63D85.8Confident81Confident61 Ų6150.1 Ų50.133%0.32629%0.293SS..THydrogen-bonded Turntrans-89.1-12.6179.566.3-6.4000113.6P61 Y65 R67P61-D63 PolarHBondContact O-N 2.98Å; D63-Y65 VanDerWaalsContact C-N 3.25Å; D63-Y65 HydrophobicContact CB-CD2 3.89Å; D63-Y65 VanDerWaalsContact O-CD2 3.32Å; D63-Y65 WeakPolarHBondContact O-CD2 3.21Å; D63-Y65 PolarHBondContact O-N 2.88Å; D63-Y65 PolarHBondContact OD1-N 2.72Å; D63-R67 IonicContact OD2-CZ 2.73Å; D63-R67 IonicContact OD2-NE 2.91Å; D63-R67 IonicContact OD2-NH2 3.52Å; D63-R67 PolarHBondContact OD2-NH2 2.88Å
64G87.9Confident81.9Confident26 Ų2647.6 Ų47.627%0.26828%0.278SS..  trans70.315.9178.900000114.6P61 K244 S245P61-G64 PolarHBondContact O-N 3.06Å; G64-K244 CarbonylContact O-C 3.58Å; G64-K244 WeakPolarHBondContact O-CA 3.49Å; G64-S245 PolarHBondContact O-N 3.49Å
65Y91.4Very high82.7Confident71 Ų7142.8 Ų42.828%0.27825%0.254SS..BIsolated β-bridgetrans-101137.9179.3-69.2-71.8000112.3M60 D63 V157 P242 K244M60-Y65 WeakPolarHBondContact CE-O 3.28Å; D63-Y65 VanDerWaalsContact C-N 3.25Å; D63-Y65 HydrophobicContact CB-CD2 3.89Å; D63-Y65 VanDerWaalsContact O-CD2 3.32Å; D63-Y65 WeakPolarHBondContact O-CD2 3.21Å; D63-Y65 PolarHBondContact O-N 2.88Å; D63-Y65 PolarHBondContact OD1-N 2.72Å; Y65-V157 HydrophobicContact CG-CG1 4.34Å; Y65-P242 HydrophobicContact CD1-CB 3.74Å; Y65-P242 HydrophobicContact CD1-CG 4.16Å; Y65-P242 HydrophobicContact CE1-CB 3.9Å; Y65-P242 HydrophobicContact CE1-CG 3.78Å; Y65-P242 HydrophobicContact CG-CB 4.43Å; Y65-K244 HydrophobicContact CD1-CG 3.9Å; Y65-K244 HydrophobicContact CE1-CG 3.6Å
66L90.9Very high83.6Confident0 Ų041.6 Ų41.60%025%0.248CC..  trans-70.6135.6178.1-60.9174.4000110.6M60 I72 V157 I158 V243 L298M60-L66 HydrophobicContact CE-CD2 4.34Å; L66-I72 HydrophobicContact CD2-CG2 4.14Å; L66-V157 WeakPolarHBondContact O-CA 3.44Å; L66-I158 HydrophobicContact CB-CD1 4.06Å; L66-I158 PolarHBondContact O-N 2.59Å; L66-V243 HydrophobicContact CD1-CB 4.28Å; L66-V243 HydrophobicContact CD1-CG1 3.85Å; L66-V243 PolarHBondContact N-O 3.45Å; L66-L298 HydrophobicContact CD1-CB 3.62Å; L66-L298 HydrophobicContact CD1-CD1 3.71Å; L66-L298 HydrophobicContact CD1-CG 4.27Å; L66-L298 HydrophobicContact CD2-CB 4.45Å
67R90.7Very high84.7Confident72 Ų7234.4 Ų34.427%0.27222%0.218SC..BIsolated β-bridgetrans-130.6151-176.3-70.4163.9179.8-98.55.6111.9D63 G69 S70 G155 R156 V157D63-R67 IonicContact OD2-CZ 2.73Å; D63-R67 IonicContact OD2-NE 2.91Å; D63-R67 IonicContact OD2-NH2 3.52Å; D63-R67 PolarHBondContact OD2-NH2 2.88Å; R67-G69 PolarHBondContact O-N 3.31Å; R67-S70 VanDerWaalsContact O-CB 3.22Å; R67-S70 WeakPolarHBondContact O-CB 3.3Å; R67-S70 PolarHBondContact O-N 2.83Å; R67-S70 VanDerWaalsContact O-N 3.1Å; R67-S70 PolarHBondContact O-OG 3.47Å; R67-G155 WeakPolarHBondContact CD-O 3.21Å; R67-G155 PolarHBondContact NH1-O 3.16Å; R67-R156 CarbonylContact C-O 3.59Å; R67-R156 WeakPolarHBondContact CA-O 3.48Å; R67-R156 WeakPolarHBondContact CB-O 3.39Å; R67-V157 HydrophobicContact CG-CB 4.36Å; R67-V157 HydrophobicContact CG-CG2 3.75Å
68F90.8Very high85.9Confident3 Ų333.6 Ų33.61%0.01321%0.213CC..THydrogen-bonded Turntrans-62.6134171.9-65.6-73.9000110.3I146 C148 H153 G155 R156 I158 E162 F164F68-I146 HydrophobicContact CD1-CG2 4.18Å; F68-I146 HydrophobicContact CE1-CG2 4.45Å; F68-C148 HydrophobicContact CB-CB 4.46Å; F68-C148 HydrophobicContact CD1-CB 3.52Å; F68-C148 HydrophobicContact CD2-CB 4.33Å; F68-C148 HydrophobicContact CE1-CB 3.65Å; F68-C148 HydrophobicContact CE2-CB 4.46Å; F68-C148 HydrophobicContact CG-CB 3.86Å; F68-C148 HydrophobicContact CZ-CB 4.14Å; F68-H153 WeakPolarHBondContact CB-O 3.33Å; F68-H153 HydrophobicContact CD2-CB 4.45Å; F68-G155 PolarHBondContact O-N 3.12Å; F68-R156 HydrophobicContact CD2-CB 4.15Å; F68-R156 WeakPolarHBondContact CD2-O 3.43Å; F68-R156 PolarHBondContact N-O 2.94Å; F68-I158 HydrophobicContact CD1-CD1 4.43Å; F68-I158 HydrophobicContact CD1-CG1 3.97Å; F68-I158 HydrophobicContact CD2-CG1 3.91Å; F68-I158 HydrophobicContact CE1-CG1 3.91Å; F68-I158 HydrophobicContact CE2-CG1 3.82Å; F68-I158 HydrophobicContact CG-CG1 4Å; F68-I158 HydrophobicContact CZ-CG1 3.82Å; F68-E162 HydrophobicContact CZ-CG 4.37Å; F68-F164 HydrophobicContact CE1-CB 3.72Å; F68-F164 HydrophobicContact CZ-CB 4.48Å
69G86.9Confident87.2Confident25 Ų2530.9 Ų30.926%0.25819%0.194SC..THydrogen-bonded Turntrans87.6-8.4-171.500000115.1R67 R145 I146R67-G69 PolarHBondContact O-N 3.31Å; G69-R145 PolarHBondContact O-NE 3.21Å; G69-I146 PolarHBondContact N-O 3.45Å
70S86.9Confident88.5Confident19 Ų1930.3 Ų30.313%0.13319%0.186CC..  trans-72.7143.6173.8-64.10000112.1R67 R145 I146R67-S70 VanDerWaalsContact O-CB 3.22Å; R67-S70 WeakPolarHBondContact O-CB 3.3Å; R67-S70 PolarHBondContact O-N 2.83Å; R67-S70 VanDerWaalsContact O-N 3.1Å; R67-S70 PolarHBondContact O-OG 3.47Å; S70-R145 WeakPolarHBondContact O-CA 3.43Å; S70-I146 PolarHBondContact O-N 2.93Å
71N88.9Confident89.5Confident12 Ų1233.5 Ų33.56%0.06421%0.21CC..EExtended strand (participates in β ladder)trans-91.5129.2172.2-75.129.4000110.1V143 F144 R145 Q169N71-V143 HydrophobicContact CB-CG1 3.86Å; N71-F144 CarbonylContact C-O 3.6Å; N71-F144 WeakPolarHBondContact CA-O 3.34Å; N71-R145 PolarHBondContact OD1-NE 3.27Å; N71-R145 PolarHBondContact OD1-NH2 3.23Å; N71-Q169 PolarHBondContact ND2-OE1 2.85Å; N71-Q169 PolarHBondContact OD1-OE1 2.76Å; N71-Q169 VanDerWaalsContact OD1-OE1 3.14Å
72I91.4Very high90.4Very high0 Ų036.1 Ų36.10%021%0.214CC..EExtended strand (participates in β ladder)trans-137.7168.8-171.459.2140.6000111.8L66 I74 V143 F144 I146 F166 L298 A299L66-I72 HydrophobicContact CD2-CG2 4.14Å; I72-I74 HydrophobicContact CD1-CG1 3.84Å; I72-V143 WeakPolarHBondContact O-CA 3.46Å; I72-F144 HydrophobicContact CG1-CB 4.31Å; I72-F144 VanDerWaalsContact CG1-O 3.25Å; I72-F144 WeakPolarHBondContact CG1-O 3.42Å; I72-F144 PolarHBondContact N-O 2.95Å; I72-F144 PolarHBondContact O-N 2.89Å; I72-I146 HydrophobicContact CD1-CD1 3.9Å; I72-I146 HydrophobicContact CD1-CG1 3.95Å; I72-I146 HydrophobicContact CG1-CD1 4.12Å; I72-I146 HydrophobicContact CG1-CG1 3.93Å; I72-I146 HydrophobicContact CG2-CD1 4.14Å; I72-F166 HydrophobicContact CD1-CD1 4.08Å; I72-F166 HydrophobicContact CD1-CE1 3.69Å; I72-L298 HydrophobicContact CD1-CB 4.4Å; I72-L298 HydrophobicContact CD1-CD2 3.82Å; I72-L298 HydrophobicContact CD1-CG 4.47Å; I72-A299 CarbonylContact C-O 3.56Å; I72-A299 VanDerWaalsContact CA-O 3.25Å; I72-A299 WeakPolarHBondContact CA-O 3.49Å; I72-A299 WeakPolarHBondContact CB-O 3.47Å
73Q93.1Very high91.1Very high1 Ų130.2 Ų30.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-118139.9164.5-61.9177.9-93.900109.4I75 V136 N142 V143 A299 A301Q73-I75 HydrophobicContact CB-CD1 3.98Å; Q73-I75 HydrophobicContact CB-CG1 4.03Å; Q73-V136 PolarHBondContact NE2-O 3.25Å; Q73-N142 PolarHBondContact NE2-ND2 2.94Å; Q73-N142 PolarHBondContact NE2-OD1 3.34Å; Q73-V143 HydrophobicContact CG-CG2 4.27Å; Q73-A299 PolarHBondContact N-O 3.06Å; Q73-A299 PolarHBondContact O-N 3.2Å; Q73-A301 HydrophobicContact CG-CB 4.13Å
74I95.3Very high91.4Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-100.6111.9178.7-58.3164.7000107.6I72 A96 L97 F144 F166 I251 L260 W296 L298I72-I74 HydrophobicContact CD1-CG1 3.84Å; I74-A96 CarbonylContact O-C 3.6Å; I74-A96 WeakPolarHBondContact O-CA 3.47Å; I74-L97 HydrophobicContact CB-CB 3.99Å; I74-L97 HydrophobicContact CD1-CD2 4.44Å; I74-L97 HydrophobicContact CG2-CB 4.08Å; I74-L97 HydrophobicContact CG2-CD1 4.32Å; I74-L97 PolarHBondContact O-N 2.94Å; I74-F144 HydrophobicContact CD1-CB 4.43Å; I74-F144 HydrophobicContact CD1-CD2 3.92Å; I74-F144 HydrophobicContact CD1-CE2 4.42Å; I74-F144 HydrophobicContact CD1-CG 4.02Å; I74-F144 HydrophobicContact CG1-CD2 4.33Å; I74-F166 HydrophobicContact CD1-CB 4.44Å; I74-F166 HydrophobicContact CD1-CD1 3.71Å; I74-F166 HydrophobicContact CD1-CD2 3.93Å; I74-F166 HydrophobicContact CD1-CE1 3.75Å; I74-F166 HydrophobicContact CD1-CE2 3.95Å; I74-F166 HydrophobicContact CD1-CG 3.79Å; I74-F166 HydrophobicContact CD1-CZ 3.85Å; I74-F166 HydrophobicContact CG1-CD1 4.39Å; I74-F166 HydrophobicContact CG1-CE1 4.06Å; I74-F166 HydrophobicContact CG1-CZ 4.23Å; I74-I251 HydrophobicContact CG2-CD1 3.53Å; I74-L260 HydrophobicContact CG2-CD2 4.38Å; I74-W296 HydrophobicContact CG2-CD2 4.23Å; I74-W296 HydrophobicContact CG2-CE3 3.65Å; I74-W296 HydrophobicContact CG2-CZ3 4.25Å; I74-L298 HydrophobicContact CB-CD2 4.24Å; I74-L298 HydrophobicContact CG1-CD2 3.75Å; I74-L298 HydrophobicContact CG2-CD2 4.24Å
75I96.4Very high91.5Very high3 Ų337.8 Ų37.82%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-126.6124.9-165.5-58170.6000111.4Q73 P94 H95 A96 V136 W296 M297 A299Q73-I75 HydrophobicContact CB-CD1 3.98Å; Q73-I75 HydrophobicContact CB-CG1 4.03Å; I75-P94 HydrophobicContact CG2-CB 4.12Å; I75-H95 CarbonylContact C-O 3.55Å; I75-H95 WeakPolarHBondContact CA-O 3.41Å; I75-A96 HydrophobicContact CG1-CB 4.41Å; I75-V136 HydrophobicContact CD1-CG1 3.5Å; I75-V136 VanDerWaalsContact CD1-CG1 3.5Å; I75-V136 HydrophobicContact CG1-CG1 3.94Å; I75-V136 HydrophobicContact CG2-CG1 4.08Å; I75-W296 VanDerWaalsContact C-CE3 3.42Å; I75-W296 CarbonylContact O-C 3.48Å; I75-W296 WeakPolarHBondContact O-CA 3.24Å; I75-M297 PolarHBondContact N-O 2.89Å; I75-M297 PolarHBondContact O-N 3.31Å; I75-A299 HydrophobicContact CD1-CB 3.71Å
76N96.5Very high91.4Very high0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-77.6126.1164.1-177.5-104.4000107.9G78 R92 P94 H95 L262 D292 V295 W296N76-G78 PolarHBondContact O-N 3.36Å; N76-G78 PolarHBondContact OD1-N 3.18Å; N76-R92 PolarHBondContact OD1-NE 3.25Å; N76-R92 PolarHBondContact OD1-NH2 3.06Å; N76-P94 WeakPolarHBondContact O-CA 3.21Å; N76-P94 WeakPolarHBondContact O-CB 3.35Å; N76-H95 PolarHBondContact N-O 3.03Å; N76-H95 PolarHBondContact O-N 2.83Å; N76-H95 VanDerWaalsContact O-N 3.08Å; N76-L262 HydrophobicContact CB-CD2 4.11Å; N76-L262 VanDerWaalsContact OD1-CD2 3.31Å; N76-L262 WeakPolarHBondContact OD1-CD2 3.48Å; N76-D292 PolarHBondContact ND2-O 2.72Å; N76-V295 PolarHBondContact ND2-O 3.31Å; N76-W296 HydrophobicContact CB-CD2 4.42Å; N76-W296 HydrophobicContact CB-CE3 3.98Å; N76-W296 HydrophobicContact CB-CH2 4Å; N76-W296 HydrophobicContact CB-CZ2 4.43Å; N76-W296 HydrophobicContact CB-CZ3 3.77Å
77P93.9Very high91.1Very high41 Ų4140.7 Ų40.727%0.26624%0.238SC..  trans-72.58-173.129.5-36000115.1V295 M297P77-V295 WeakPolarHBondContact CD-O 3.06Å; P77-V295 HydrophobicContact CG-CG1 4.26Å; P77-M297 HydrophobicContact CB-CE 3.89Å; P77-M297 HydrophobicContact CB-SD 4.03Å
78G93.2Very high90.8Very high3 Ų341.5 Ų41.53%0.03125%0.247CC..  trans90.5-161.6-172.500000112.2N76 R92N76-G78 PolarHBondContact O-N 3.36Å; N76-G78 PolarHBondContact OD1-N 3.18Å; G78-R92 WeakPolarHBondContact CA-O 3.06Å; G78-R92 PolarHBondContact O-NH2 2.73Å
79S92.2Very high90.5Very high22 Ų2242.2 Ų42.215%0.15425%0.254CS..  trans-84.3137.5-179.6-62.50000111.6T90 R92 D292S79-T90 WeakPolarHBondContact CB-O 3.48Å; S79-T90 PolarHBondContact OG-O 2.88Å; S79-R92 PolarHBondContact N-O 2.86Å; S79-R92 VanDerWaalsContact OG-CG 3.29Å; S79-R92 WeakPolarHBondContact OG-CG 3.23Å; S79-R92 PolarHBondContact OG-N 3.21Å; S79-R92 PolarHBondContact OG-NH1 3.32Å; S79-D292 WeakPolarHBondContact CA-OD2 3.45Å
80S90.6Very high90.6Very high46 Ų4645.8 Ų45.832%0.32227%0.27SS..  trans-69.1134.4171.7-178.90000110.1Y82 Y83 V84 D292S80-Y82 PolarHBondContact O-N 3.17Å; S80-Y82 PolarHBondContact OG-N 3.33Å; S80-Y83 PolarHBondContact O-N 2.94Å; S80-Y83 VanDerWaalsContact O-N 3.08Å; S80-V84 PolarHBondContact O-N 3.5Å; S80-V84 VanDerWaalsContact O-N 3.12Å; S80-D292 PolarHBondContact N-OD2 3.42Å
81P90.6Very high90.8Very high108 Ų10850.5 Ų50.570%0.70130%0.298SS*.Hα-helixtrans-52.7-29.4174.3-28.235.7000113.6K85P81-K85 VanDerWaalsContact O-CB 3.24Å; P81-K85 WeakPolarHBondContact O-CB 3.19Å; P81-K85 PolarHBondContact O-N 3.08Å
82Y89.5Confident91Very high106 Ų10651.1 Ų51.142%0.41630%0.3SS..Hα-helixtrans-62.3-56.7173.9176.1-103.1000112.3S80 V84 K85 C86S80-Y82 PolarHBondContact O-N 3.17Å; S80-Y82 PolarHBondContact OG-N 3.33Å; Y82-V84 VanDerWaalsContact C-N 3.26Å; Y82-V84 PolarHBondContact O-N 2.8Å; Y82-K85 PolarHBondContact O-N 3.44Å; Y82-C86 WeakPolarHBondContact O-CB 3.23Å; Y82-C86 PolarHBondContact O-N 3.47Å; Y82-C86 PolarHBondContact O-SG 3.2Å
83Y89.9Confident91.1Very high15 Ų1554.6 Ų54.66%0.05932%0.322CS..Hα-helixtrans-67-28.1-178.4-65.4-59.7000112.7S80 G87 L88 A89 D285 R291 D292S80-Y83 PolarHBondContact O-N 2.94Å; S80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-G87 PolarHBondContact O-N 3.01Å; Y83-L88 HydrophobicContact CD1-CB 4.2Å; Y83-L88 HydrophobicContact CD1-CD1 4.02Å; Y83-L88 PolarHBondContact O-N 3.38Å; Y83-A89 PolarHBondContact O-N 3.32Å; Y83-D285 HydrophobicContact CE1-CB 3.97Å; Y83-D285 PolarHBondContact OH-OD2 3.12Å; Y83-R291 HydrophobicContact CE1-CG 4.27Å; Y83-R291 HydrophobicContact CE2-CB 4.46Å; Y83-D292 HydrophobicContact CD2-CB 3.72Å; Y83-D292 WeakPolarHBondContact CD2-OD2 3.24Å; Y83-D292 HydrophobicContact CE2-CB 3.94Å
84V91.6Very high91.2Very high49 Ų4955.2 Ų55.230%0.29733%0.326SS..Hα-helixtrans-67.1-50.7170.21770000110.9S80 Y82 C86 G87 A89 T91S80-V84 PolarHBondContact O-N 3.5Å; S80-V84 VanDerWaalsContact O-N 3.12Å; Y82-V84 VanDerWaalsContact C-N 3.26Å; Y82-V84 PolarHBondContact O-N 2.8Å; V84-C86 VanDerWaalsContact C-N 3.26Å; V84-C86 PolarHBondContact O-N 2.8Å; V84-G87 PolarHBondContact O-N 3.14Å; V84-A89 WeakPolarHBondContact CA-O 3.24Å; V84-T91 HydrophobicContact CG1-CG2 3.76Å; V84-T91 HydrophobicContact CG2-CG2 4.05Å
85K90.9Very high91.2Very high197 Ų19755.5 Ų55.586%0.85733%0.328SS*.Hα-helixtrans-62-32.4179.5-174176.4-179.3179.30112.8P81 Y82 G87P81-K85 VanDerWaalsContact O-CB 3.24Å; P81-K85 WeakPolarHBondContact O-CB 3.19Å; P81-K85 PolarHBondContact O-N 3.08Å; Y82-K85 PolarHBondContact O-N 3.44Å; K85-G87 VanDerWaalsContact C-N 3.32Å
86C88.6Confident91.1Very high67 Ų6755.3 Ų55.345%0.45333%0.327SS..THydrogen-bonded Turntrans-83.61.3175.4-66.40000114.2Y82 V84 L88Y82-C86 WeakPolarHBondContact O-CB 3.23Å; Y82-C86 PolarHBondContact O-N 3.47Å; Y82-C86 PolarHBondContact O-SG 3.2Å; V84-C86 VanDerWaalsContact C-N 3.26Å; V84-C86 PolarHBondContact O-N 2.8Å; C86-L88 HydrophobicContact CB-CD1 4.11Å; C86-L88 HydrophobicContact CB-CG 4.2Å; C86-L88 PolarHBondContact O-N 3.29Å
87G86.4Confident91Very high66 Ų6655.3 Ų55.368%0.6833%0.327SS*.THydrogen-bonded Turntrans68.610-178.700000115.1Y83 V84 K85Y83-G87 PolarHBondContact O-N 3.01Å; V84-G87 PolarHBondContact O-N 3.14Å; K85-G87 VanDerWaalsContact C-N 3.32Å
88L83Confident91Very high89 Ų8953.4 Ų53.447%0.46631%0.314SS..SBendtrans-84.6-16.4-178.2-68.4172.5000113Y83 C86 R291Y83-L88 HydrophobicContact CD1-CB 4.2Å; Y83-L88 HydrophobicContact CD1-CD1 4.02Å; Y83-L88 PolarHBondContact O-N 3.38Å; C86-L88 HydrophobicContact CB-CD1 4.11Å; C86-L88 HydrophobicContact CB-CG 4.2Å; C86-L88 PolarHBondContact O-N 3.29Å; L88-R291 PolarHBondContact O-NH2 2.82Å
89A85.7Confident91Very high18 Ų1853.2 Ų53.215%0.14931%0.313CS..SBendtrans-142.4145.1174.500000110.9Y83 V84Y83-A89 PolarHBondContact O-N 3.32Å; V84-A89 WeakPolarHBondContact CA-O 3.24Å
90T88.8Confident90.9Very high100 Ų10052.8 Ų52.861%0.61331%0.31SS*.  trans-72.4161.9164.148.80000110.4S79 R92S79-T90 WeakPolarHBondContact CB-O 3.48Å; S79-T90 PolarHBondContact OG-O 2.88Å; T90-R92 PolarHBondContact O-N 3.13Å
91T91.6Very high90.8Very high117 Ų11750.6 Ų50.672%0.71829%0.294SS*.  trans-68.1123.2168.941.80000110V84V84-T91 HydrophobicContact CG1-CG2 3.76Å; V84-T91 HydrophobicContact CG2-CG2 4.05Å
92R92.7Very high90.5Very high25 Ų2548.5 Ų48.59%0.09428%0.277CS..  trans-129.3142.3175.283.2-161.7171.5-114.415.3110.8N76 G78 S79 T90 D292N76-R92 PolarHBondContact OD1-NE 3.25Å; N76-R92 PolarHBondContact OD1-NH2 3.06Å; G78-R92 WeakPolarHBondContact CA-O 3.06Å; G78-R92 PolarHBondContact O-NH2 2.73Å; S79-R92 PolarHBondContact N-O 2.86Å; S79-R92 VanDerWaalsContact OG-CG 3.29Å; S79-R92 WeakPolarHBondContact OG-CG 3.23Å; S79-R92 PolarHBondContact OG-N 3.21Å; S79-R92 PolarHBondContact OG-NH1 3.32Å; T90-R92 PolarHBondContact O-N 3.13Å; R92-D292 IonicContact CZ-OD1 3.92Å; R92-D292 IonicContact CZ-OD2 2.8Å; R92-D292 VanDerWaalsContact NH1-CG 3.33Å; R92-D292 IonicContact NH1-OD1 2.7Å; R92-D292 PolarHBondContact NH1-OD1 3.11Å; R92-D292 IonicContact NH1-OD2 2.85Å; R92-D292 PolarHBondContact NH1-OD2 2.88Å; R92-D292 PolarHBondContact NH2-O 2.68Å; R92-D292 IonicContact NH2-OD1 3.46Å; R92-D292 PolarHBondContact NH2-OD1 3.03Å; R92-D292 IonicContact NH2-OD2 2.72Å
93P93Very high90.1Very high73 Ų7346.6 Ų46.647%0.47427%0.274SS..  trans-68.4166.8170.731.9-36.4000110.8H95P93-H95 PolarHBondContact O-CE1 2.98Å; P93-H95 VanDerWaalsContact O-CE1 3.26Å; P93-H95 PolarHBondContact O-ND1 3.4Å
94P94.3Very high89.4Confident14 Ų1450.3 Ų50.39%0.09130%0.302CS..  trans-58.1151.7168.5-25.437000112.5I75 N76 V136 Y308I75-P94 HydrophobicContact CG2-CB 4.12Å; N76-P94 WeakPolarHBondContact O-CA 3.21Å; N76-P94 WeakPolarHBondContact O-CB 3.35Å; P94-V136 HydrophobicContact CB-CG2 4.31Å; P94-Y308 WeakPolarHBondContact CD-OH 3.32Å; P94-Y308 HydrophobicContact CG-CE1 3.93Å; P94-Y308 WeakPolarHBondContact CG-OH 3.48Å
95H95.1Very high88.3Confident6 Ų649.8 Ų49.83%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-133136.9176.7-67.162.5000109.9I75 N76 P93 A132 S133 K134 L262 T276I75-H95 CarbonylContact C-O 3.55Å; I75-H95 WeakPolarHBondContact CA-O 3.41Å; N76-H95 PolarHBondContact N-O 3.03Å; N76-H95 PolarHBondContact O-N 2.83Å; N76-H95 VanDerWaalsContact O-N 3.08Å; P93-H95 PolarHBondContact O-CE1 2.98Å; P93-H95 VanDerWaalsContact O-CE1 3.26Å; P93-H95 PolarHBondContact O-ND1 3.4Å; H95-A132 HydrophobicContact CB-CB 3.74Å; H95-S133 CarbonylContact C-O 3.5Å; H95-S133 VanDerWaalsContact CA-O 3.28Å; H95-S133 WeakPolarHBondContact CA-O 3.39Å; H95-K134 WeakPolarHBondContact NE2-CG 3.33Å; H95-L262 HydrophobicContact CB-CD1 4.29Å; H95-L262 HydrophobicContact CB-CD2 4.47Å; H95-T276 PolarHBondContact NE2-OG1 3.03Å
96A94.9Very high87.3Confident0 Ų045.1 Ų45.10%028%0.284CS..EExtended strand (participates in β ladder)trans-95.4131.5173.900000110.7I74 I75 A132 S133 V136 N142I74-A96 CarbonylContact O-C 3.6Å; I74-A96 WeakPolarHBondContact O-CA 3.47Å; I75-A96 HydrophobicContact CG1-CB 4.41Å; A96-A132 CarbonylContact O-C 3.6Å; A96-A132 WeakPolarHBondContact O-CA 3.46Å; A96-S133 PolarHBondContact N-O 2.95Å; A96-S133 PolarHBondContact O-N 3.07Å; A96-V136 HydrophobicContact CB-CG1 4.4Å; A96-N142 HydrophobicContact CB-CB 4.27Å
97L95.3Very high86.6Confident0 Ų042.4 Ų42.40%027%0.265CS..EExtended strand (participates in β ladder)trans-61.3137.7169.2-172.4152.1000109I74 V130 N142 F144 L193 L260 L278 W296I74-L97 HydrophobicContact CB-CB 3.99Å; I74-L97 HydrophobicContact CD1-CD2 4.44Å; I74-L97 HydrophobicContact CG2-CB 4.08Å; I74-L97 HydrophobicContact CG2-CD1 4.32Å; I74-L97 PolarHBondContact O-N 2.94Å; L97-V130 HydrophobicContact CD1-CG1 4.27Å; L97-V130 HydrophobicContact CD2-CG1 3.59Å; L97-V130 HydrophobicContact CG-CG1 3.82Å; L97-N142 WeakPolarHBondContact O-CB 3.39Å; L97-F144 HydrophobicContact CD2-CE1 3.99Å; L97-F144 HydrophobicContact CD2-CE2 3.58Å; L97-F144 HydrophobicContact CD2-CZ 3.25Å; L97-F144 WeakPolarHBondContact O-CE2 3.24Å; L97-L193 HydrophobicContact CD1-CD2 3.95Å; L97-L193 HydrophobicContact CD2-CD1 4.43Å; L97-L193 HydrophobicContact CD2-CD2 4.27Å; L97-L260 HydrophobicContact CD1-CD1 4.15Å; L97-L260 HydrophobicContact CD1-CD2 3.67Å; L97-L278 HydrophobicContact CB-CD1 4.3Å; L97-L278 HydrophobicContact CD1-CD1 3.75Å; L97-L278 HydrophobicContact CG-CD1 3.65Å; L97-W296 HydrophobicContact CB-CZ3 4.34Å
98S93.8Very high85.7Confident0 Ų040.6 Ų40.60%024%0.241CC..EExtended strand (participates in β ladder)trans-158.9157.4-166.475.50000113.6T131 K141S98-T131 WeakPolarHBondContact CA-O 3.38Å; S98-T131 PolarHBondContact N-O 2.83Å; S98-T131 PolarHBondContact O-N 3.4Å; S98-T131 VanDerWaalsContact O-O 3.08Å; S98-T131 PolarHBondContact OG-O 2.99Å; S98-K141 CarbonylContact C-O 3.55Å; S98-K141 WeakPolarHBondContact CA-O 3.25Å; S98-K141 WeakPolarHBondContact OG-CE 3.47Å; S98-K141 PolarHBondContact OG-NZ 3.24Å
99L92.1Very high84.8Confident0 Ų040.4 Ų40.40%024%0.24CC..EExtended strand (participates in β ladder)trans-65.9123.5173-17567000111.3F119 L128 K141 L168 L191 F214 F272L99-F119 HydrophobicContact CD2-CE1 4.27Å; L99-L128 HydrophobicContact CD1-CD1 3.72Å; L99-L128 HydrophobicContact CD1-CG 4.12Å; L99-K141 HydrophobicContact CB-CG 4.14Å; L99-K141 PolarHBondContact N-O 3.35Å; L99-K141 WeakPolarHBondContact O-CG 3.39Å; L99-K141 PolarHBondContact O-NZ 2.68Å; L99-L168 HydrophobicContact CB-CD2 3.85Å; L99-L168 HydrophobicContact CD1-CD2 4.31Å; L99-L168 HydrophobicContact CD2-CD2 3.83Å; L99-L168 HydrophobicContact CG-CD2 4.22Å; L99-L191 HydrophobicContact CD1-CD1 4.02Å; L99-L191 HydrophobicContact CD2-CD1 4.4Å; L99-F214 HydrophobicContact CB-CE2 4.44Å; L99-F214 HydrophobicContact CD1-CD2 3.56Å; L99-F214 HydrophobicContact CD1-CE2 3.45Å; L99-F214 VanDerWaalsContact CD1-CE2 3.45Å; L99-F214 HydrophobicContact CD1-CG 4.49Å; L99-F214 HydrophobicContact CD1-CZ 4.32Å; L99-F272 VanDerWaalsContact O-CE2 3.32Å; L99-F272 WeakPolarHBondContact O-CE2 3.34Å
100S90.5Very high83.9Confident12 Ų1242 Ų428%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-10414916353.60000111.4G129 V130 T131S100-G129 PolarHBondContact N-O 3.31Å; S100-G129 PolarHBondContact O-N 3.16Å; S100-G129 VanDerWaalsContact OG-CA 3.32Å; S100-G129 WeakPolarHBondContact OG-CA 3.44Å; S100-G129 PolarHBondContact OG-O 3.02Å; S100-V130 PolarHBondContact OG-N 2.87Å; S100-T131 WeakPolarHBondContact CB-OG1 3.45Å
101I87.8Confident82.9Confident0 Ų037.6 Ų37.60%022%0.217CC..EExtended strand (participates in β ladder)trans-119.6126.1164-63.7173.6000105.7L47 L107 L122 L127 L128 T270 L271 F272L47-I101 HydrophobicContact CD1-CD1 3.76Å; L47-I101 HydrophobicContact CD2-CD1 4.04Å; L47-I101 HydrophobicContact CG-CD1 4.45Å; I101-L107 HydrophobicContact CG2-CD1 3.99Å; I101-L107 HydrophobicContact CG2-CD2 3.81Å; I101-L122 HydrophobicContact CD1-CD1 3.92Å; I101-L122 HydrophobicContact CG1-CD1 4.33Å; I101-L122 HydrophobicContact CG2-CD2 4.3Å; I101-L127 CarbonylContact C-O 3.59Å; I101-L127 WeakPolarHBondContact CA-O 3.38Å; I101-L128 HydrophobicContact CG1-CD1 4.42Å; I101-T270 WeakPolarHBondContact O-CA 3.34Å; I101-L271 HydrophobicContact CB-CB 4.01Å; I101-L271 HydrophobicContact CB-CD2 4.12Å; I101-L271 HydrophobicContact CD1-CD2 4.11Å; I101-L271 HydrophobicContact CG2-CB 4.4Å; I101-L271 HydrophobicContact CG2-CD2 4.16Å; I101-L271 PolarHBondContact O-N 2.88Å; I101-F272 HydrophobicContact CB-CE2 4.33Å; I101-F272 HydrophobicContact CD1-CE2 4.46Å; I101-F272 HydrophobicContact CD1-CZ 4.24Å; I101-F272 HydrophobicContact CG1-CE2 4.19Å; I101-F272 HydrophobicContact CG1-CZ 4.47Å
102D85Confident81.6Confident65 Ų6534.2 Ų34.235%0.34820%0.198SC..BIsolated β-bridgetrans-72.4147.9176.2-171.714.4000111.1S104 L127D102-S104 VanDerWaalsContact CG-OG 3.26Å; D102-S104 PolarHBondContact OD1-N 3.1Å; D102-S104 VanDerWaalsContact OD1-N 3.13Å; D102-S104 WeakPolarHBondContact OD2-CB 3.49Å; D102-S104 PolarHBondContact OD2-OG 3.29Å; D102-L127 HydrophobicContact CB-CD2 4.19Å; D102-L127 PolarHBondContact N-O 2.71Å
103I82.1Confident80.1Confident66 Ų6638.1 Ų38.134%0.33822%0.221SC..  trans-114.514.5-179.760.5170.1000112.3C105 L107 R269 L271I103-C105 PolarHBondContact O-N 3.29Å; I103-L107 HydrophobicContact CG2-CD1 4.17Å; I103-R269 HydrophobicContact CD1-CG 3.91Å; I103-L271 HydrophobicContact CG2-CB 3.94Å; I103-L271 HydrophobicContact CG2-CD1 4.09Å
104S75.1Confident78.7Confident92 Ų9235 Ų3564%0.64320%0.201SC*.SBendtrans-63.4-25.1174.361.10000113.9D102D102-S104 VanDerWaalsContact CG-OG 3.26Å; D102-S104 PolarHBondContact OD1-N 3.1Å; D102-S104 VanDerWaalsContact OD1-N 3.13Å; D102-S104 WeakPolarHBondContact OD2-CB 3.49Å; D102-S104 PolarHBondContact OD2-OG 3.29Å
105C67.3Low77.3Confident38 Ų3842 Ų4226%0.25724%0.237SC..SBendtrans-108.6166.1177.776.10000112.5I103 L107 L127I103-C105 PolarHBondContact O-N 3.29Å; C105-L107 VanDerWaalsContact C-N 3.3Å; C105-L107 PolarHBondContact O-N 3.04Å; C105-L127 HydrophobicContact CB-CD2 4.27Å; C105-L127 WeakPolarHBondContact SG-CD1 3.32Å; C105-L127 VanDerWaalsContact SG-CD2 3.5Å
106N69.8Low75.9Confident100 Ų10045.1 Ų45.154%0.53525%0.254SS..  trans-76.484.1166.7-177.48.2000109.7T108 L109N106-T108 PolarHBondContact O-N 3.02Å; N106-T108 WeakPolarHBondContact OD1-CB 3.47Å; N106-T108 PolarHBondContact OD1-N 3.14Å; N106-T108 PolarHBondContact OD1-OG1 2.8Å; N106-L109 HydrophobicContact CB-CB 4.42Å; N106-L109 WeakPolarHBondContact O-CB 3.12Å; N106-L109 PolarHBondContact O-N 2.93Å
107L74.3Confident74.9Confident9 Ų945.4 Ų45.45%0.04726%0.256CS..Hα-helixtrans-46.5-38.2179-70.5168000112.9L44 I101 I103 C105 L109 E110 L111 L122 L127 L271L44-L107 HydrophobicContact CD2-CB 3.77Å; L44-L107 HydrophobicContact CD2-CD1 4.04Å; I101-L107 HydrophobicContact CG2-CD1 3.99Å; I101-L107 HydrophobicContact CG2-CD2 3.81Å; I103-L107 HydrophobicContact CG2-CD1 4.17Å; C105-L107 VanDerWaalsContact C-N 3.3Å; C105-L107 PolarHBondContact O-N 3.04Å; L107-L109 PolarHBondContact O-N 2.86Å; L107-L109 VanDerWaalsContact O-N 3.1Å; L107-E110 PolarHBondContact O-N 3.4Å; L107-E110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CB-CD1 4.27Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CD1 3.3Å; L107-L111 WeakPolarHBondContact O-CD1 3.42Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.09Å; L107-L122 HydrophobicContact CD2-CD2 3.91Å; L107-L127 HydrophobicContact CD2-CD1 4Å; L107-L271 HydrophobicContact CD1-CD1 4.09Å; L107-L271 HydrophobicContact CD1-CD2 4.34Å
108T66.8Low74Confident29 Ų2945.6 Ų45.618%0.17826%0.257CS..Hα-helixtrans-50.2-35.6176.2-27.40000113.3S40 T41 L44 N106 S112S40-T108 WeakPolarHBondContact CB-O 3.19Å; S40-T108 PolarHBondContact OG-O 3.47Å; T41-T108 HydrophobicContact CG2-CG2 4.31Å; L44-T108 HydrophobicContact CD1-CG2 4.32Å; L44-T108 WeakPolarHBondContact CD1-OG1 3.41Å; N106-T108 PolarHBondContact O-N 3.02Å; N106-T108 WeakPolarHBondContact OD1-CB 3.47Å; N106-T108 PolarHBondContact OD1-N 3.14Å; N106-T108 PolarHBondContact OD1-OG1 2.8Å; T108-S112 PolarHBondContact O-N 3.41Å; T108-S112 PolarHBondContact O-OG 3.1Å
109L64.4Low73.3Confident85 Ų8545.6 Ų45.645%0.44526%0.257SS..Hα-helixtrans-81.9-41.8-178.6-168.5110.4000111.9N106 L107 L111 S112 N113N106-L109 HydrophobicContact CB-CB 4.42Å; N106-L109 WeakPolarHBondContact O-CB 3.12Å; N106-L109 PolarHBondContact O-N 2.93Å; L107-L109 PolarHBondContact O-N 2.86Å; L107-L109 VanDerWaalsContact O-N 3.1Å; L109-L111 PolarHBondContact O-N 3.4Å; L109-S112 WeakPolarHBondContact CA-OG 3.5Å; L109-S112 PolarHBondContact O-N 2.78Å; L109-S112 PolarHBondContact O-OG 3.43Å; L109-N113 VanDerWaalsContact O-CB 3.31Å; L109-N113 WeakPolarHBondContact O-CB 3.31Å; L109-N113 PolarHBondContact O-N 3.42Å; L109-N113 PolarHBondContact O-ND2 2.84Å; L109-N113 PolarHBondContact O-OD1 3.1Å
110E67.5Low72.8Confident50 Ų5047.1 Ų47.123%0.23427%0.265CS..Hα-helixtrans-64.2-28.8175.7-56.7-52.1147.600112.2L107 S114 S121 N125 L127L107-E110 PolarHBondContact O-N 3.4Å; L107-E110 VanDerWaalsContact O-N 3.16Å; E110-S114 WeakPolarHBondContact O-CB 3.38Å; E110-S114 PolarHBondContact O-N 3.32Å; E110-S121 PolarHBondContact O-OG 2.86Å; E110-N125 PolarHBondContact OE2-ND2 3.04Å; E110-L127 HydrophobicContact CG-CD1 4.19Å
111L67.8Low72.3Confident9 Ų947.1 Ų47.15%0.04727%0.265CS..Hα-helixtrans-84-32178.4-66.7166.3000113.5F43 L44 L107 L109 S114 I118F43-L111 HydrophobicContact CD1-CD1 3.5Å; F43-L111 HydrophobicContact CD1-CD2 3.57Å; F43-L111 HydrophobicContact CD1-CG 4.09Å; F43-L111 HydrophobicContact CE1-CD1 4.1Å; F43-L111 HydrophobicContact CE1-CD2 3.46Å; F43-L111 VanDerWaalsContact CE1-CD2 3.46Å; F43-L111 HydrophobicContact CE1-CG 4.41Å; F43-L111 HydrophobicContact CG-CD1 4.45Å; F43-L111 HydrophobicContact CG-CD2 4.48Å; F43-L111 HydrophobicContact CZ-CD2 4.37Å; L44-L111 HydrophobicContact CD2-CD1 3.82Å; L44-L111 HydrophobicContact CG-CD1 4.04Å; L107-L111 HydrophobicContact CB-CD1 4.27Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CD1 3.3Å; L107-L111 WeakPolarHBondContact O-CD1 3.42Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.09Å; L109-L111 PolarHBondContact O-N 3.4Å; L111-S114 PolarHBondContact O-OG 2.93Å; L111-I118 HydrophobicContact CD2-CB 4.42Å; L111-I118 HydrophobicContact CD2-CG1 4.24Å; L111-I118 HydrophobicContact CD2-CG2 3.4Å; L111-I118 VanDerWaalsContact CD2-CG2 3.4Å
112S63.5Low72Confident46 Ų4647.1 Ų47.132%0.32227%0.265SS..Hα-helixtrans-70.2-37.3171.161.50000111.4T108 L109T108-S112 PolarHBondContact O-N 3.41Å; T108-S112 PolarHBondContact O-OG 3.1Å; L109-S112 WeakPolarHBondContact CA-OG 3.5Å; L109-S112 PolarHBondContact O-N 2.78Å; L109-S112 PolarHBondContact O-OG 3.43Å
113N62.1Low71.9Confident106 Ų10645.4 Ų45.457%0.56726%0.263SS*.SBendtrans-84.4-7.4-173-61-5.5000113.9L109L109-N113 VanDerWaalsContact O-CB 3.31Å; L109-N113 WeakPolarHBondContact O-CB 3.31Å; L109-N113 PolarHBondContact O-N 3.42Å; L109-N113 PolarHBondContact O-ND2 2.84Å; L109-N113 PolarHBondContact O-OD1 3.1Å
114S63.7Low71.8Confident8 Ų850.9 Ų50.96%0.05628%0.279CS..  trans-92.1103.8-177.567.90000112.9E110 L111 D116 K184E110-S114 WeakPolarHBondContact O-CB 3.38Å; E110-S114 PolarHBondContact O-N 3.32Å; L111-S114 PolarHBondContact O-OG 2.93Å; S114-D116 VanDerWaalsContact C-N 3.32Å; S114-K184 PolarHBondContact O-NZ 2.96Å
115D64.6Low72Confident160 Ų16050 Ų5086%0.85627%0.267SS*.SBendtrans-69.3-31.9163.5-69.3-37.1000112
116D65.8Low72.7Confident72 Ų7251.1 Ų51.139%0.38529%0.286SS..SBendtrans-68.3165.9174.2-88.2-31.1000112.9S114 I118 R124S114-D116 VanDerWaalsContact C-N 3.32Å; D116-I118 PolarHBondContact O-N 2.87Å; D116-R124 IonicContact OD2-CZ 3.09Å; D116-R124 IonicContact OD2-NH1 2.77Å; D116-R124 PolarHBondContact OD2-NH1 2.79Å; D116-R124 IonicContact OD2-NH2 3.14Å; D116-R124 PolarHBondContact OD2-NH2 3.48Å
117N74.1Confident73.4Confident7 Ų746.9 Ų46.94%0.03726%0.263CS..  trans-53131.6169.4176.4-12.8000110.7F119 N120 S121 K184 N186 Q189N117-F119 PolarHBondContact O-N 3.47Å; N117-F119 VanDerWaalsContact O-N 3.1Å; N117-F119 PolarHBondContact OD1-N 2.77Å; N117-N120 WeakPolarHBondContact O-CA 3.37Å; N117-N120 WeakPolarHBondContact O-CB 3.45Å; N117-N120 PolarHBondContact O-N 2.68Å; N117-S121 PolarHBondContact O-N 2.99Å; N117-S121 VanDerWaalsContact O-N 3.15Å; N117-K184 WeakPolarHBondContact CA-O 3.31Å; N117-K184 VanDerWaalsContact CB-O 3.23Å; N117-K184 WeakPolarHBondContact CB-O 3.32Å; N117-K184 PolarHBondContact OD1-O 3.15Å; N117-N186 PolarHBondContact ND2-N 2.76Å; N117-Q189 PolarHBondContact ND2-OE1 3.11Å
118I75.6Confident74Confident3 Ų346.9 Ų46.92%0.01526%0.263CS..Hα-helixtrans-48.2-42.1-178.5-59.3108.2000112.6F43 L111 D116 N120 S121 L122 K184 L185F43-I118 HydrophobicContact CD2-CD1 4.43Å; F43-I118 HydrophobicContact CE1-CB 4.48Å; F43-I118 HydrophobicContact CE1-CG1 4.23Å; F43-I118 HydrophobicContact CE1-CG2 3.71Å; F43-I118 HydrophobicContact CE2-CD1 3.52Å; F43-I118 HydrophobicContact CE2-CG1 3.89Å; F43-I118 HydrophobicContact CZ-CB 3.96Å; F43-I118 HydrophobicContact CZ-CD1 3.68Å; F43-I118 HydrophobicContact CZ-CG1 3.62Å; F43-I118 HydrophobicContact CZ-CG2 3.63Å; L111-I118 HydrophobicContact CD2-CB 4.42Å; L111-I118 HydrophobicContact CD2-CG1 4.24Å; L111-I118 HydrophobicContact CD2-CG2 3.4Å; L111-I118 VanDerWaalsContact CD2-CG2 3.4Å; D116-I118 PolarHBondContact O-N 2.87Å; I118-N120 VanDerWaalsContact C-N 3.31Å; I118-N120 PolarHBondContact O-N 3.22Å; I118-S121 WeakPolarHBondContact O-CA 3.12Å; I118-S121 WeakPolarHBondContact O-CB 3.13Å; I118-S121 PolarHBondContact O-N 2.84Å; I118-S121 VanDerWaalsContact O-N 3.09Å; I118-L122 HydrophobicContact CG2-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CG 3.96Å; I118-L122 WeakPolarHBondContact O-CG 2.98Å; I118-L122 PolarHBondContact O-N 2.99Å; I118-K184 HydrophobicContact CD1-CB 3.49Å; I118-K184 VanDerWaalsContact CD1-CB 3.49Å; I118-K184 HydrophobicContact CD1-CD 4.28Å; I118-L185 HydrophobicContact CD1-CD2 3.94Å; I118-L185 HydrophobicContact CD1-CG 4.23Å
119F79.9Confident75Confident1 Ų146.3 Ų46.30%0.00426%0.263CS..Hα-helixtrans-68.6-29.1-179.4-68.4-57.8000113.2L99 N117 L122 G123 L128 P170 I173 L185 L191 V216L99-F119 HydrophobicContact CD2-CE1 4.27Å; N117-F119 PolarHBondContact O-N 3.47Å; N117-F119 VanDerWaalsContact O-N 3.1Å; N117-F119 PolarHBondContact OD1-N 2.77Å; F119-L122 HydrophobicContact CD1-CD1 4.24Å; F119-L122 HydrophobicContact CE1-CD1 4.46Å; F119-G123 PolarHBondContact O-N 3.08Å; F119-L128 HydrophobicContact CD1-CD1 3.84Å; F119-L128 HydrophobicContact CD1-CD2 4.36Å; F119-L128 HydrophobicContact CE1-CD1 4.25Å; F119-P170 HydrophobicContact CE2-CB 4.49Å; F119-I173 HydrophobicContact CE2-CD1 4.05Å; F119-I173 HydrophobicContact CZ-CD1 3.62Å; F119-L185 HydrophobicContact CD2-CD2 3.8Å; F119-L185 HydrophobicContact CE2-CD2 3.57Å; F119-L191 HydrophobicContact CB-CD2 3.71Å; F119-L191 HydrophobicContact CD1-CD1 3.89Å; F119-L191 HydrophobicContact CD1-CD2 4.31Å; F119-L191 HydrophobicContact CD2-CD2 4.27Å; F119-L191 HydrophobicContact CE1-CD1 4.05Å; F119-L191 HydrophobicContact CG-CD1 4.16Å; F119-L191 HydrophobicContact CG-CD2 3.85Å; F119-L191 HydrophobicContact CZ-CD1 4.44Å; F119-V216 HydrophobicContact CB-CG1 4.17Å
120N81.2Confident76.4Confident31 Ų3142.8 Ų42.817%0.16624%0.244CC..Hα-helixtrans-69.6-36.8169.4-67.8-45000111.4N117 I118 R124 Q189 V216N117-N120 WeakPolarHBondContact O-CA 3.37Å; N117-N120 WeakPolarHBondContact O-CB 3.45Å; N117-N120 PolarHBondContact O-N 2.68Å; I118-N120 VanDerWaalsContact C-N 3.31Å; I118-N120 PolarHBondContact O-N 3.22Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 VanDerWaalsContact O-CG 3.24Å; N120-R124 WeakPolarHBondContact O-CG 3.25Å; N120-R124 PolarHBondContact O-N 2.82Å; N120-Q189 PolarHBondContact ND2-OE1 2.9Å; N120-V216 WeakPolarHBondContact OD1-CG1 3.4Å
121S79.1Confident77.7Confident13 Ų1340.6 Ų40.69%0.09124%0.235CC..Hα-helixtrans-63.2-57.7173.8-179.10000111.3E110 N117 I118 G123 R124 N125E110-S121 PolarHBondContact O-OG 2.86Å; N117-S121 PolarHBondContact O-N 2.99Å; N117-S121 VanDerWaalsContact O-N 3.15Å; I118-S121 WeakPolarHBondContact O-CA 3.12Å; I118-S121 WeakPolarHBondContact O-CB 3.13Å; I118-S121 PolarHBondContact O-N 2.84Å; I118-S121 VanDerWaalsContact O-N 3.09Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 3.27Å; S121-R124 PolarHBondContact O-N 3.15Å; S121-N125 WeakPolarHBondContact O-CB 3.34Å; S121-N125 PolarHBondContact O-N 3.46Å
122L82.5Confident79Confident0 Ų040.2 Ų40.20%023%0.233CC..Hα-helixtrans-57-38.5177.7-65.8174.4000112.3I101 L107 I118 F119 G126 L127 L128I101-L122 HydrophobicContact CD1-CD1 3.92Å; I101-L122 HydrophobicContact CG1-CD1 4.33Å; I101-L122 HydrophobicContact CG2-CD2 4.3Å; L107-L122 HydrophobicContact CD2-CD2 3.91Å; I118-L122 HydrophobicContact CG2-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CG 3.96Å; I118-L122 WeakPolarHBondContact O-CG 2.98Å; I118-L122 PolarHBondContact O-N 2.99Å; F119-L122 HydrophobicContact CD1-CD1 4.24Å; F119-L122 HydrophobicContact CE1-CD1 4.46Å; L122-G126 PolarHBondContact O-N 3.39Å; L122-L127 HydrophobicContact CB-CB 4.46Å; L122-L127 HydrophobicContact CD2-CB 4.09Å; L122-L127 HydrophobicContact CD2-CD1 3.96Å; L122-L127 PolarHBondContact O-N 3.15Å; L122-L128 HydrophobicContact CB-CB 4.16Å; L122-L128 HydrophobicContact CB-CD1 4.12Å; L122-L128 HydrophobicContact CD1-CD1 4.21Å; L122-L128 PolarHBondContact O-N 2.73Å
123G82.5Confident80.4Confident29 Ų2938.7 Ų38.730%0.29922%0.222SC..Hα-helixtrans-67.7-49.3176.800000113.1F119 S121 N125 G126F119-G123 PolarHBondContact O-N 3.08Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 3.27Å; G123-N125 VanDerWaalsContact C-N 3.26Å; G123-N125 PolarHBondContact O-N 3.2Å; G123-G126 PolarHBondContact O-N 3.3Å; G123-G126 VanDerWaalsContact O-N 3.11Å
124R80.3Confident81.8Confident180 Ų18039.4 Ų39.468%0.67922%0.22SC*.Hα-helixtrans-60.8-35.7176.7-76.3179.2-167.9153.410.1112.5D116 N120 S121 G126D116-R124 IonicContact OD2-CZ 3.09Å; D116-R124 IonicContact OD2-NH1 2.77Å; D116-R124 PolarHBondContact OD2-NH1 2.79Å; D116-R124 IonicContact OD2-NH2 3.14Å; D116-R124 PolarHBondContact OD2-NH2 3.48Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 VanDerWaalsContact O-CG 3.24Å; N120-R124 WeakPolarHBondContact O-CG 3.25Å; N120-R124 PolarHBondContact O-N 2.82Å; S121-R124 PolarHBondContact O-N 3.15Å; R124-G126 VanDerWaalsContact C-N 3.26Å; R124-G126 PolarHBondContact O-N 2.79Å
125N78.9Confident83Confident73 Ų7342 Ų4239%0.3923%0.233SC..THydrogen-bonded Turntrans-81-0.3179.4-69-6.7000113.6E110 S121 G123 L127E110-N125 PolarHBondContact OE2-ND2 3.04Å; S121-N125 WeakPolarHBondContact O-CB 3.34Å; S121-N125 PolarHBondContact O-N 3.46Å; G123-N125 VanDerWaalsContact C-N 3.26Å; G123-N125 PolarHBondContact O-N 3.2Å; N125-L127 HydrophobicContact CB-CD1 3.7Å; N125-L127 HydrophobicContact CB-CG 3.83Å; N125-L127 PolarHBondContact O-N 3.38Å
126G81.6Confident84.2Confident63 Ų6335 Ų3565%0.64920%0.197SC*.THydrogen-bonded Turntrans71.29.9-178.900000115L122 G123 R124L122-G126 PolarHBondContact O-N 3.39Å; G123-G126 PolarHBondContact O-N 3.3Å; G123-G126 VanDerWaalsContact O-N 3.11Å; R124-G126 VanDerWaalsContact C-N 3.26Å; R124-G126 PolarHBondContact O-N 2.79Å
127L84.5Confident85.2Confident10 Ų1036.6 Ų36.65%0.05220%0.202CC..  trans-82-16.8-175.9-58169.2000112.7I101 D102 C105 L107 E110 L122 N125I101-L127 CarbonylContact C-O 3.59Å; I101-L127 WeakPolarHBondContact CA-O 3.38Å; D102-L127 HydrophobicContact CB-CD2 4.19Å; D102-L127 PolarHBondContact N-O 2.71Å; C105-L127 HydrophobicContact CB-CD2 4.27Å; C105-L127 WeakPolarHBondContact SG-CD1 3.32Å; C105-L127 VanDerWaalsContact SG-CD2 3.5Å; L107-L127 HydrophobicContact CD2-CD1 4Å; E110-L127 HydrophobicContact CG-CD1 4.19Å; L122-L127 HydrophobicContact CB-CB 4.46Å; L122-L127 HydrophobicContact CD2-CB 4.09Å; L122-L127 HydrophobicContact CD2-CD1 3.96Å; L122-L127 PolarHBondContact O-N 3.15Å; N125-L127 HydrophobicContact CB-CD1 3.7Å; N125-L127 HydrophobicContact CB-CG 3.83Å; N125-L127 PolarHBondContact O-N 3.38Å
128L87.3Confident85.9Confident10 Ų1036.5 Ų36.55%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-92.1107.1-176.7-159.171000110.8L99 I101 F119 L122 L191 F214 V216L99-L128 HydrophobicContact CD1-CD1 3.72Å; L99-L128 HydrophobicContact CD1-CG 4.12Å; I101-L128 HydrophobicContact CG1-CD1 4.42Å; F119-L128 HydrophobicContact CD1-CD1 3.84Å; F119-L128 HydrophobicContact CD1-CD2 4.36Å; F119-L128 HydrophobicContact CE1-CD1 4.25Å; L122-L128 HydrophobicContact CB-CB 4.16Å; L122-L128 HydrophobicContact CB-CD1 4.12Å; L122-L128 HydrophobicContact CD1-CD1 4.21Å; L122-L128 PolarHBondContact O-N 2.73Å; L128-L191 HydrophobicContact CD2-CD1 4.31Å; L128-L191 HydrophobicContact CD2-CD2 4.28Å; L128-F214 HydrophobicContact CD2-CB 3.88Å; L128-F214 HydrophobicContact CG-CB 4.26Å; L128-F214 HydrophobicContact CG-CD2 4.44Å; L128-V216 HydrophobicContact CD2-CG2 4Å
129G89Confident86.5Confident16 Ų1636.5 Ų36.517%0.16520%0.202CC..EExtended strand (participates in β ladder)trans-126.4-179.6-173.200000114.6S100 F214S100-G129 PolarHBondContact N-O 3.31Å; S100-G129 PolarHBondContact O-N 3.16Å; S100-G129 VanDerWaalsContact OG-CA 3.32Å; S100-G129 WeakPolarHBondContact OG-CA 3.44Å; S100-G129 PolarHBondContact OG-O 3.02Å; G129-F214 WeakPolarHBondContact O-CD2 3.3Å; G129-F214 VanDerWaalsContact O-CE2 3.31Å; G129-F214 WeakPolarHBondContact O-CE2 3.34Å
130V93.1Very high86.7Confident11 Ų1136.4 Ų36.47%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-124.1127.7178.8-158.20000110.1L97 S100 L193 L212 F214 L278L97-V130 HydrophobicContact CD1-CG1 4.27Å; L97-V130 HydrophobicContact CD2-CG1 3.59Å; L97-V130 HydrophobicContact CG-CG1 3.82Å; S100-V130 PolarHBondContact OG-N 2.87Å; V130-L193 HydrophobicContact CB-CD1 4.28Å; V130-L193 HydrophobicContact CG1-CD1 3.71Å; V130-L193 HydrophobicContact CG2-CD1 3.68Å; V130-L212 HydrophobicContact CB-CB 3.96Å; V130-L212 HydrophobicContact CG2-CB 3.88Å; V130-F214 HydrophobicContact CB-CE2 4.33Å; V130-F214 HydrophobicContact CG1-CE2 4.33Å; V130-F214 HydrophobicContact CG1-CZ 4.38Å; V130-F214 HydrophobicContact CG2-CD2 3.91Å; V130-F214 HydrophobicContact CG2-CE2 3.69Å; V130-F214 HydrophobicContact CG2-CZ 4.18Å; V130-L278 HydrophobicContact CG1-CD1 4.01Å
131T93.7Very high87Confident5 Ų535.2 Ų35.23%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-141.9160.9179.253.20000111.9S98 S100 A268 T270 E275 T276S98-T131 WeakPolarHBondContact CA-O 3.38Å; S98-T131 PolarHBondContact N-O 2.83Å; S98-T131 PolarHBondContact O-N 3.4Å; S98-T131 VanDerWaalsContact O-O 3.08Å; S98-T131 PolarHBondContact OG-O 2.99Å; S100-T131 WeakPolarHBondContact CB-OG1 3.45Å; T131-A268 HydrophobicContact CG2-CB 4.4Å; T131-T270 HydrophobicContact CG2-CG2 4.2Å; T131-E275 HydrophobicContact CG2-CB 4.36Å; T131-E275 PolarHBondContact OG1-OE2 2.89Å; T131-T276 WeakPolarHBondContact CB-O 3.25Å
132A95Very high87.6Confident0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-90.9112171.200000110.4H95 A96 L262 T276 L278H95-A132 HydrophobicContact CB-CB 3.74Å; A96-A132 CarbonylContact O-C 3.6Å; A96-A132 WeakPolarHBondContact O-CA 3.46Å; A132-L262 HydrophobicContact CB-CD1 3.23Å; A132-T276 PolarHBondContact N-O 3.28Å; A132-T276 PolarHBondContact O-N 2.82Å; A132-L278 HydrophobicContact CB-CD2 3.64Å; A132-L278 HydrophobicContact CB-CG 4.17Å
133S93.5Very high88Confident15 Ų1534.8 Ų34.811%0.10519%0.191CC..EExtended strand (participates in β ladder)trans-85.9144.3173.5-151.70000111.1H95 A96 N135 E275H95-S133 CarbonylContact C-O 3.5Å; H95-S133 VanDerWaalsContact CA-O 3.28Å; H95-S133 WeakPolarHBondContact CA-O 3.39Å; A96-S133 PolarHBondContact N-O 2.95Å; A96-S133 PolarHBondContact O-N 3.07Å; S133-N135 PolarHBondContact O-N 2.92Å; S133-E275 WeakPolarHBondContact CB-OE1 3.4Å; S133-E275 PolarHBondContact OG-OE1 2.91Å
134K91.9Very high88.4Confident120 Ų12033.4 Ų33.452%0.52218%0.177SC..SBendtrans-75-14.7171.4-68.8169.9-174.2169.20112.4H95 V136H95-K134 WeakPolarHBondContact NE2-CG 3.33Å; K134-V136 PolarHBondContact O-N 3.37Å
135N88.5Confident88.9Confident62 Ų6228.1 Ų28.133%0.33216%0.157SC..  trans-82.2109.2172-1693.5000110.4S133 Q137 N142S133-N135 PolarHBondContact O-N 2.92Å; N135-Q137 VanDerWaalsContact OD1-CB 3.24Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.21Å; N135-Q137 VanDerWaalsContact OD1-CG 3.23Å; N135-Q137 WeakPolarHBondContact OD1-CG 3.33Å; N135-Q137 PolarHBondContact OD1-N 2.83Å; N135-N142 PolarHBondContact O-ND2 2.8Å
136V90Very high89.5Confident15 Ų1524.7 Ų24.79%0.09114%0.139CC..  trans-911.4179.1-156.50000111.8Q73 I75 P94 A96 K134 Q304Q73-V136 PolarHBondContact NE2-O 3.25Å; I75-V136 HydrophobicContact CD1-CG1 3.5Å; I75-V136 VanDerWaalsContact CD1-CG1 3.5Å; I75-V136 HydrophobicContact CG1-CG1 3.94Å; I75-V136 HydrophobicContact CG2-CG1 4.08Å; P94-V136 HydrophobicContact CB-CG2 4.31Å; A96-V136 HydrophobicContact CB-CG1 4.4Å; K134-V136 PolarHBondContact O-N 3.37Å; V136-Q304 VanDerWaalsContact CG1-OE1 3.23Å
137Q87.8Confident90Very high105 Ų10522.8 Ų22.849%0.49111%0.112SC..SBendtrans-65.9139.1173.8-65.1172.5-7.700111.1N135 S139 N142N135-Q137 VanDerWaalsContact OD1-CB 3.24Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.21Å; N135-Q137 VanDerWaalsContact OD1-CG 3.23Å; N135-Q137 WeakPolarHBondContact OD1-CG 3.33Å; N135-Q137 PolarHBondContact OD1-N 2.83Å; Q137-S139 PolarHBondContact O-N 3.26Å; Q137-N142 PolarHBondContact O-ND2 2.82Å; Q137-N142 PolarHBondContact O-OD1 2.82Å
138P88Confident90.2Very high4 Ų423.3 Ų23.33%0.02612%0.116CC..  trans-66.9118.8179.426.5-34.6000111M54 I55 V143 A301M54-P138 CarbonylContact C-O 3.53Å; M54-P138 VanDerWaalsContact CA-O 3.28Å; M54-P138 WeakPolarHBondContact CA-O 3.39Å; M54-P138 HydrophobicContact CE-CG 3.95Å; M54-P138 HydrophobicContact CG-CG 4.31Å; I55-P138 PolarHBondContact N-O 3.26Å; P138-V143 HydrophobicContact CB-CG2 3.93Å; P138-A301 HydrophobicContact CB-CB 3.74Å
139S87.4Confident90Very high3 Ų325.7 Ų25.72%0.02113%0.129CC..BIsolated β-bridgetrans-141.4164.3-175.460.80000110.5T53 Q137 K141 N142 V143T53-S139 WeakPolarHBondContact O-CA 3.45Å; T53-S139 WeakPolarHBondContact O-CB 3.32Å; Q137-S139 PolarHBondContact O-N 3.26Å; S139-K141 PolarHBondContact O-N 3.25Å; S139-K141 VanDerWaalsContact O-N 3.07Å; S139-N142 PolarHBondContact N-OD1 2.9Å; S139-N142 PolarHBondContact O-N 2.89Å; S139-N142 PolarHBondContact O-OD1 3.23Å; S139-N142 PolarHBondContact OG-OD1 2.98Å; S139-N142 VanDerWaalsContact OG-OD1 3.13Å; S139-V143 WeakPolarHBondContact O-CB 3.45Å; S139-V143 WeakPolarHBondContact O-CG2 3.21Å; S139-V143 PolarHBondContact O-N 3.33Å
140A84.2Confident89.4Confident0 Ų030.9 Ų30.90%015%0.148CC..THydrogen-bonded Turntrans-62.2-21.5179.400000112.2I51 I55 L168 I172 I173I51-A140 PolarHBondContact O-N 2.74Å; I55-A140 HydrophobicContact CD1-CB 3.91Å; I55-A140 VanDerWaalsContact CD1-N 3.29Å; A140-L168 WeakPolarHBondContact O-CD2 3.13Å; A140-I172 HydrophobicContact CB-CB 4.28Å; A140-I172 HydrophobicContact CB-CG2 3.56Å; A140-I173 HydrophobicContact CB-CG1 3.65Å
141K88.9Confident88.2Confident6 Ų638.5 Ų38.53%0.02618%0.183CC..THydrogen-bonded Turntrans-67.7-31.6174-157.3-174.7136.170.60114.2I51 S98 L99 S139 F272 E275I51-K141 HydrophobicContact CG2-CB 3.66Å; I51-K141 HydrophobicContact CG2-CG 4Å; I51-K141 PolarHBondContact O-N 3.04Å; I51-K141 VanDerWaalsContact O-N 3.11Å; S98-K141 CarbonylContact C-O 3.55Å; S98-K141 WeakPolarHBondContact CA-O 3.25Å; S98-K141 WeakPolarHBondContact OG-CE 3.47Å; S98-K141 PolarHBondContact OG-NZ 3.24Å; L99-K141 HydrophobicContact CB-CG 4.14Å; L99-K141 PolarHBondContact N-O 3.35Å; L99-K141 WeakPolarHBondContact O-CG 3.39Å; L99-K141 PolarHBondContact O-NZ 2.68Å; S139-K141 PolarHBondContact O-N 3.25Å; S139-K141 VanDerWaalsContact O-N 3.07Å; K141-F272 HydrophobicContact CD-CB 4.28Å; K141-F272 HydrophobicContact CD-CD1 4.01Å; K141-F272 HydrophobicContact CD-CD2 4.13Å; K141-F272 HydrophobicContact CD-CE1 4.38Å; K141-F272 HydrophobicContact CD-CE2 4.47Å; K141-F272 HydrophobicContact CD-CG 3.86Å; K141-E275 WeakPolarHBondContact CE-OE1 3.43Å; K141-E275 IonicContact NZ-OE1 2.68Å; K141-E275 PolarHBondContact NZ-OE1 3.2Å; K141-E275 IonicContact NZ-OE2 2.79Å; K141-E275 PolarHBondContact NZ-OE2 3.47Å
142N91.4Very high86.8Confident2 Ų243 Ų431%0.01122%0.215CC..THydrogen-bonded Turntrans-133.54.5-166.371.97.5000115.3Q73 A96 L97 N135 Q137 S139 F144Q73-N142 PolarHBondContact NE2-ND2 2.94Å; Q73-N142 PolarHBondContact NE2-OD1 3.34Å; A96-N142 HydrophobicContact CB-CB 4.27Å; L97-N142 WeakPolarHBondContact O-CB 3.39Å; N135-N142 PolarHBondContact O-ND2 2.8Å; Q137-N142 PolarHBondContact O-ND2 2.82Å; Q137-N142 PolarHBondContact O-OD1 2.82Å; S139-N142 PolarHBondContact N-OD1 2.9Å; S139-N142 PolarHBondContact O-N 2.89Å; S139-N142 PolarHBondContact O-OD1 3.23Å; S139-N142 PolarHBondContact OG-OD1 2.98Å; S139-N142 VanDerWaalsContact OG-OD1 3.13Å; N142-F144 WeakPolarHBondContact O-CD2 3.45Å
143V90.7Very high85.8Confident1 Ų145.7 Ų45.71%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-94.1115.6174.1172.70000110.4N71 I72 Q73 P138 S139 L168 I172 A301N71-V143 HydrophobicContact CB-CG1 3.86Å; I72-V143 WeakPolarHBondContact O-CA 3.46Å; Q73-V143 HydrophobicContact CG-CG2 4.27Å; P138-V143 HydrophobicContact CB-CG2 3.93Å; S139-V143 WeakPolarHBondContact O-CB 3.45Å; S139-V143 WeakPolarHBondContact O-CG2 3.21Å; S139-V143 PolarHBondContact O-N 3.33Å; V143-L168 WeakPolarHBondContact O-CD1 3.28Å; V143-I172 HydrophobicContact CB-CD1 4.4Å; V143-I172 HydrophobicContact CG1-CD1 4.02Å; V143-A301 HydrophobicContact CG2-CB 4.03Å
144F91.8Very high85.1Confident0 Ų051.1 Ų51.10%025%0.246CC..EExtended strand (participates in β ladder)trans-105.9141.7178.5-65.3-92.5000110.2N71 I72 I74 L97 N142 F166 G167 L168 F214N71-F144 CarbonylContact C-O 3.6Å; N71-F144 WeakPolarHBondContact CA-O 3.34Å; I72-F144 HydrophobicContact CG1-CB 4.31Å; I72-F144 VanDerWaalsContact CG1-O 3.25Å; I72-F144 WeakPolarHBondContact CG1-O 3.42Å; I72-F144 PolarHBondContact N-O 2.95Å; I72-F144 PolarHBondContact O-N 2.89Å; I74-F144 HydrophobicContact CD1-CB 4.43Å; I74-F144 HydrophobicContact CD1-CD2 3.92Å; I74-F144 HydrophobicContact CD1-CE2 4.42Å; I74-F144 HydrophobicContact CD1-CG 4.02Å; I74-F144 HydrophobicContact CG1-CD2 4.33Å; L97-F144 HydrophobicContact CD2-CE1 3.99Å; L97-F144 HydrophobicContact CD2-CE2 3.58Å; L97-F144 HydrophobicContact CD2-CZ 3.25Å; L97-F144 WeakPolarHBondContact O-CE2 3.24Å; N142-F144 WeakPolarHBondContact O-CD2 3.45Å; F144-F166 HydrophobicContact CB-CB 4.47Å; F144-F166 HydrophobicContact CD1-CB 4.13Å; F144-G167 WeakPolarHBondContact CA-O 3.22Å; F144-L168 HydrophobicContact CD1-CB 4.14Å; F144-L168 HydrophobicContact CD1-CD1 4.06Å; F144-L168 HydrophobicContact CD2-CD1 4.28Å; F144-L168 HydrophobicContact CE1-CB 3.86Å; F144-L168 HydrophobicContact CE1-CD1 3.62Å; F144-L168 HydrophobicContact CE1-CG 4.38Å; F144-L168 HydrophobicContact CE2-CD1 3.85Å; F144-L168 HydrophobicContact CG-CD1 4.35Å; F144-L168 HydrophobicContact CZ-CD1 3.48Å; F144-L168 VanDerWaalsContact CZ-CD1 3.48Å; F144-F214 AromaticContact CE1-CE1 3.91Å; F144-F214 HydrophobicContact CE1-CE1 3.91Å; F144-F214 AromaticContact CE1-CZ 3.88Å; F144-F214 HydrophobicContact CE1-CZ 3.88Å; F144-F214 HydrophobicContact CZ-CZ 4.14Å
145R90.1Very high84.6Confident70 Ų7047.2 Ų47.226%0.26424%0.24SC..EExtended strand (participates in β ladder)trans-95.8140.4163.9-178.6173.7-68.1173.17.4109.3G69 S70 N71 Y147 G167 Q169G69-R145 PolarHBondContact O-NE 3.21Å; S70-R145 WeakPolarHBondContact O-CA 3.43Å; N71-R145 PolarHBondContact OD1-NE 3.27Å; N71-R145 PolarHBondContact OD1-NH2 3.23Å; R145-Y147 HydrophobicContact CB-CD2 4.39Å; R145-Y147 HydrophobicContact CB-CE2 3.63Å; R145-Y147 HydrophobicContact CG-CD2 4.38Å; R145-Y147 HydrophobicContact CG-CE2 3.85Å; R145-Y147 VanDerWaalsContact O-CD2 3.24Å; R145-Y147 WeakPolarHBondContact O-CD2 3.39Å; R145-Y147 WeakPolarHBondContact O-CE2 3.29Å; R145-G167 PolarHBondContact N-O 2.84Å; R145-G167 PolarHBondContact O-N 2.92Å; R145-Q169 HydrophobicContact CB-CG 3.86Å; R145-Q169 VanDerWaalsContact NH2-CD 3.34Å; R145-Q169 VanDerWaalsContact NH2-NE2 3.14Å
146I92.1Very high84.7Confident1 Ų147.9 Ų47.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-91.4118.4177.4-48.7176.7000109.6F68 G69 S70 I72 I158 F164 F166F68-I146 HydrophobicContact CD1-CG2 4.18Å; F68-I146 HydrophobicContact CE1-CG2 4.45Å; G69-I146 PolarHBondContact N-O 3.45Å; S70-I146 PolarHBondContact O-N 2.93Å; I72-I146 HydrophobicContact CD1-CD1 3.9Å; I72-I146 HydrophobicContact CD1-CG1 3.95Å; I72-I146 HydrophobicContact CG1-CD1 4.12Å; I72-I146 HydrophobicContact CG1-CG1 3.93Å; I72-I146 HydrophobicContact CG2-CD1 4.14Å; I146-I158 HydrophobicContact CB-CD1 4.01Å; I146-I158 HydrophobicContact CD1-CD1 3.47Å; I146-I158 VanDerWaalsContact CD1-CD1 3.47Å; I146-I158 HydrophobicContact CG1-CD1 4.33Å; I146-I158 HydrophobicContact CG2-CD1 3.63Å; I146-F164 HydrophobicContact CG2-CB 4.24Å; I146-F164 HydrophobicContact CG2-CD2 3.51Å; I146-F164 HydrophobicContact CG2-CE2 4.2Å; I146-F164 HydrophobicContact CG2-CG 4.02Å; I146-F166 HydrophobicContact CG1-CD1 4.25Å; I146-F166 HydrophobicContact CG1-CE1 4.32Å
147Y90.7Very high84.8Confident23 Ų2348.3 Ų48.39%0.0924%0.241CC..EExtended strand (participates in β ladder)trans-104.2139.4-179.1-65.9-96.8000110.9R145 Y154 F164 V165 C190 Y192R145-Y147 HydrophobicContact CB-CD2 4.39Å; R145-Y147 HydrophobicContact CB-CE2 3.63Å; R145-Y147 HydrophobicContact CG-CD2 4.38Å; R145-Y147 HydrophobicContact CG-CE2 3.85Å; R145-Y147 VanDerWaalsContact O-CD2 3.24Å; R145-Y147 WeakPolarHBondContact O-CD2 3.39Å; R145-Y147 WeakPolarHBondContact O-CE2 3.29Å; Y147-Y154 HydrophobicContact CD1-CE1 4.38Å; Y147-Y154 WeakPolarHBondContact CD1-OH 3.35Å; Y147-F164 WeakPolarHBondContact O-CB 3.37Å; Y147-V165 PolarHBondContact N-O 2.96Å; Y147-V165 PolarHBondContact O-N 3.13Å; Y147-C190 PolarHBondContact OH-SG 3Å; Y147-C190 VanDerWaalsContact OH-SG 3.32Å; Y147-Y192 HydrophobicContact CD2-CE1 4.07Å; Y147-Y192 HydrophobicContact CE2-CE1 4.28Å; Y147-Y192 HydrophobicContact CG-CE1 4.28Å
148C89.4Confident85.1Confident20 Ų2043.3 Ų43.314%0.13522%0.218CC..EExtended strand (participates in β ladder)trans-85.6150.2168.1-163.40000109.6F68 H150 H153F68-C148 HydrophobicContact CB-CB 4.46Å; F68-C148 HydrophobicContact CD1-CB 3.52Å; F68-C148 HydrophobicContact CD2-CB 4.33Å; F68-C148 HydrophobicContact CE1-CB 3.65Å; F68-C148 HydrophobicContact CE2-CB 4.46Å; F68-C148 HydrophobicContact CG-CB 3.86Å; F68-C148 HydrophobicContact CZ-CB 4.14Å; C148-H150 WeakPolarHBondContact CB-O 3.41Å; C148-H150 PolarHBondContact O-N 2.81Å; C148-H153 HydrophobicContact CB-CB 4.03Å
149L82.5Confident85.4Confident60 Ų6048.1 Ų48.131%0.31424%0.235SC..SBendtrans-69.7-10.8172.4-64.4169.3000112.9P163 V165 Q224L149-P163 HydrophobicContact CD1-CB 4.03Å; L149-P163 HydrophobicContact CD1-CG 4.19Å; L149-V165 HydrophobicContact CD2-CG2 3.71Å; L149-Q224 HydrophobicContact CD1-CG 4.19Å; L149-Q224 HydrophobicContact CD2-CG 4.09Å
150H77.7Confident85.8Confident125 Ų12548.2 Ų48.258%0.57924%0.235SC*.SBendtrans-127.3123176.3-56.5-37.2000109.4C148 S152 H153C148-H150 WeakPolarHBondContact CB-O 3.41Å; C148-H150 PolarHBondContact O-N 2.81Å; H150-S152 PolarHBondContact O-N 2.95Å; H150-S152 VanDerWaalsContact O-N 3.12Å; H150-H153 PolarHBondContact O-N 3.2Å
151E66.7Low86.3Confident171 Ų17149 Ų4980%0.79924%0.243SC*.G310 helixtrans-62.8-22.7-172-61.3175.9168.700113.4H153 Y154E151-H153 PolarHBondContact O-N 3.12Å; E151-Y154 VanDerWaalsContact O-CD2 3.25Å; E151-Y154 WeakPolarHBondContact O-CD2 3.24Å
152S64.4Low86.5Confident100 Ų10050.4 Ų50.470%0.69925%0.25SC*.G310 helixtrans-69.89.3-179.756.90000115.3H150H150-S152 PolarHBondContact O-N 2.95Å; H150-S152 VanDerWaalsContact O-N 3.12Å
153H74.4Confident86.7Confident57 Ų5752.9 Ų52.926%0.26427%0.266SS..G310 helixtrans-125.99.3-171.2-68.7-13.3000115.4F68 C148 H150 E151 G155 R156F68-H153 WeakPolarHBondContact CB-O 3.33Å; F68-H153 HydrophobicContact CD2-CB 4.45Å; C148-H153 HydrophobicContact CB-CB 4.03Å; H150-H153 PolarHBondContact O-N 3.2Å; E151-H153 PolarHBondContact O-N 3.12Å; H153-G155 PolarHBondContact O-N 3.27Å; H153-R156 HydrophobicContact CB-CB 4.43Å; H153-R156 PolarHBondContact CD2-NH1 3.41Å; H153-R156 WeakPolarHBondContact O-CB 3.17Å; H153-R156 PolarHBondContact O-N 2.94Å; H153-R156 VanDerWaalsContact O-N 3.12Å
154Y79Confident86.9Confident128 Ų12852.9 Ų52.950%0.50227%0.266SS..THydrogen-bonded Turntrans-55.4139.7170.2-73.9-72.1000112Y147 E151 R156Y147-Y154 HydrophobicContact CD1-CE1 4.38Å; Y147-Y154 WeakPolarHBondContact CD1-OH 3.35Å; E151-Y154 VanDerWaalsContact O-CD2 3.25Å; E151-Y154 WeakPolarHBondContact O-CD2 3.24Å; Y154-R156 PolarHBondContact O-N 3.42Å
155G81.6Confident87Confident38 Ų3853 Ų5339%0.39227%0.267SS..THydrogen-bonded Turntrans76.9-13.5-175.500000115.6R67 F68 H153R67-G155 WeakPolarHBondContact CD-O 3.21Å; R67-G155 PolarHBondContact NH1-O 3.16Å; F68-G155 PolarHBondContact O-N 3.12Å; H153-G155 PolarHBondContact O-N 3.27Å
156R90.4Very high87.2Confident76 Ų7649.7 Ų49.729%0.28725%0.254SS..PPolyproline II helixtrans-68.1144.1174.1179.9-171.8153.1-153.5-13.6110.5R67 F68 H153 Y154 E162R67-R156 CarbonylContact C-O 3.59Å; R67-R156 WeakPolarHBondContact CA-O 3.48Å; R67-R156 WeakPolarHBondContact CB-O 3.39Å; F68-R156 HydrophobicContact CD2-CB 4.15Å; F68-R156 WeakPolarHBondContact CD2-O 3.43Å; F68-R156 PolarHBondContact N-O 2.94Å; H153-R156 HydrophobicContact CB-CB 4.43Å; H153-R156 PolarHBondContact CD2-NH1 3.41Å; H153-R156 WeakPolarHBondContact O-CB 3.17Å; H153-R156 PolarHBondContact O-N 2.94Å; H153-R156 VanDerWaalsContact O-N 3.12Å; Y154-R156 PolarHBondContact O-N 3.42Å; R156-E162 IonicContact CZ-OE1 2.68Å; R156-E162 IonicContact CZ-OE2 3.53Å; R156-E162 IonicContact NH1-OE1 3.53Å; R156-E162 PolarHBondContact NH1-OE1 2.92Å; R156-E162 IonicContact NH1-OE2 3.3Å; R156-E162 IonicContact NH2-OE1 3.52Å; R156-E162 PolarHBondContact NH2-OE1 2.87Å; R156-E162 IonicContact NH2-OE2 2.71Å; R156-E162 PolarHBondContact NH2-OE2 3.41Å
157V92Very high87.3Confident25 Ų2549.6 Ų49.615%0.15225%0.254CS..BIsolated β-bridgetrans-69.8131.9174.2177.80000111.1Y65 L66 R67 P242Y65-V157 HydrophobicContact CG-CG1 4.34Å; L66-V157 WeakPolarHBondContact O-CA 3.44Å; R67-V157 HydrophobicContact CG-CB 4.36Å; R67-V157 HydrophobicContact CG-CG2 3.75Å; V157-P242 HydrophobicContact CG1-CB 3.38Å
158I92.9Very high87.2Confident0 Ų048.5 Ų48.50%025%0.25CC..PPolyproline II helixtrans-75.2142.8178.3-63.2153.9000109.5L66 F68 I146 L227 P242 V243L66-I158 HydrophobicContact CB-CD1 4.06Å; L66-I158 PolarHBondContact O-N 2.59Å; F68-I158 HydrophobicContact CD1-CD1 4.43Å; F68-I158 HydrophobicContact CD1-CG1 3.97Å; F68-I158 HydrophobicContact CD2-CG1 3.91Å; F68-I158 HydrophobicContact CE1-CG1 3.91Å; F68-I158 HydrophobicContact CE2-CG1 3.82Å; F68-I158 HydrophobicContact CG-CG1 4Å; F68-I158 HydrophobicContact CZ-CG1 3.82Å; I146-I158 HydrophobicContact CB-CD1 4.01Å; I146-I158 HydrophobicContact CD1-CD1 3.47Å; I146-I158 VanDerWaalsContact CD1-CD1 3.47Å; I146-I158 HydrophobicContact CG1-CD1 4.33Å; I146-I158 HydrophobicContact CG2-CD1 3.63Å; I158-L227 HydrophobicContact CG2-CD1 4.21Å; I158-P242 WeakPolarHBondContact O-CA 3.43Å; I158-V243 PolarHBondContact O-N 3.49Å
159R94.8Very high86.5Confident105 Ų10547.8 Ų47.840%0.39624%0.244SC..BIsolated β-bridgetrans-116.5152.4-178.5-64.7171.8-178.5-83.4-0.3111.8E162 G240 R241R159-E162 HydrophobicContact CB-CB 4.29Å; R159-E162 PolarHBondContact N-OE2 2.65Å; R159-E162 WeakPolarHBondContact O-CB 3.47Å; R159-E162 PolarHBondContact O-N 2.88Å; R159-G240 VanDerWaalsContact CD-O 3.22Å; R159-G240 WeakPolarHBondContact CD-O 3.35Å; R159-G240 WeakPolarHBondContact CG-O 3.29Å; R159-G240 PolarHBondContact NH1-O 2.94Å; R159-R241 CarbonylContact C-O 3.53Å; R159-R241 WeakPolarHBondContact CA-O 3.31Å
160Y96.3Very high85.6Confident4 Ų445 Ų452%0.01623%0.23CC..THydrogen-bonded Turntrans-59.2144.3166.7-69.7-77.8000110.2E162 L227 H229 F238 G240 R241 V243 Q247 L249Y160-E162 PolarHBondContact O-N 2.83Å; Y160-L227 WeakPolarHBondContact CA-O 3.22Å; Y160-L227 HydrophobicContact CD1-CB 4.09Å; Y160-L227 HydrophobicContact CE1-CB 4.41Å; Y160-H229 HydrophobicContact CE1-CB 4.5Å; Y160-F238 WeakPolarHBondContact CB-O 3.27Å; Y160-F238 HydrophobicContact CD2-CB 4.03Å; Y160-F238 HydrophobicContact CD2-CD1 4.1Å; Y160-F238 HydrophobicContact CE2-CB 4.38Å; Y160-F238 AromaticContact CE2-CD1 3.71Å; Y160-F238 HydrophobicContact CE2-CD1 3.71Å; Y160-F238 HydrophobicContact CG-CB 4.45Å; Y160-G240 PolarHBondContact O-N 2.99Å; Y160-R241 HydrophobicContact CD2-CB 4.48Å; Y160-R241 PolarHBondContact N-O 2.96Å; Y160-V243 HydrophobicContact CD1-CG2 4.09Å; Y160-V243 HydrophobicContact CD2-CG2 3.76Å; Y160-V243 HydrophobicContact CE1-CG1 4.25Å; Y160-V243 HydrophobicContact CE1-CG2 4.15Å; Y160-V243 HydrophobicContact CE2-CB 4.29Å; Y160-V243 HydrophobicContact CE2-CG1 4.27Å; Y160-V243 HydrophobicContact CE2-CG2 3.8Å; Y160-V243 HydrophobicContact CG-CG2 3.91Å; Y160-Q247 VanDerWaalsContact OH-CD 3.32Å; Y160-Q247 PolarHBondContact OH-NE2 2.81Å; Y160-L249 HydrophobicContact CE1-CB 4.29Å
161G93.8Very high85Confident16 Ų1641.8 Ų41.817%0.16522%0.217CC..THydrogen-bonded Turntrans80.4-26.3-175.500000115.4L227 E239G161-L227 PolarHBondContact N-O 3.21Å; G161-E239 WeakPolarHBondContact CA-OE1 3.3Å; G161-E239 VanDerWaalsContact CA-OE2 3.3Å; G161-E239 WeakPolarHBondContact CA-OE2 3.4Å; G161-E239 PolarHBondContact N-OE2 3.24Å
162E93.6Very high84.8Confident36 Ų3634.5 Ų34.517%0.16818%0.183CC..  trans-68.4131.4-176.7-177.7160.5-134.900112.2F68 R156 R159 Y160F68-E162 HydrophobicContact CZ-CG 4.37Å; R156-E162 IonicContact CZ-OE1 2.68Å; R156-E162 IonicContact CZ-OE2 3.53Å; R156-E162 IonicContact NH1-OE1 3.53Å; R156-E162 PolarHBondContact NH1-OE1 2.92Å; R156-E162 IonicContact NH1-OE2 3.3Å; R156-E162 IonicContact NH2-OE1 3.52Å; R156-E162 PolarHBondContact NH2-OE1 2.87Å; R156-E162 IonicContact NH2-OE2 2.71Å; R156-E162 PolarHBondContact NH2-OE2 3.41Å; R159-E162 HydrophobicContact CB-CB 4.29Å; R159-E162 PolarHBondContact N-OE2 2.65Å; R159-E162 WeakPolarHBondContact O-CB 3.47Å; R159-E162 PolarHBondContact O-N 2.88Å; Y160-E162 PolarHBondContact O-N 2.83Å
163P94.9Very high84.8Confident55 Ų5530 Ų3036%0.35715%0.151SC..  trans-78.6137.7177.131.8-35.3000112.2L149 W225 V254L149-P163 HydrophobicContact CD1-CB 4.03Å; L149-P163 HydrophobicContact CD1-CG 4.19Å; P163-W225 CarbonylContact C-O 3.56Å; P163-W225 WeakPolarHBondContact CA-O 3.28Å; P163-V254 HydrophobicContact CB-CG2 4.2Å
164F94.8Very high84.3Confident1 Ų128 Ų280%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-149.4179-179.869-86.9000110.5F68 I146 Y147 F166 W225 L227F68-F164 HydrophobicContact CE1-CB 3.72Å; F68-F164 HydrophobicContact CZ-CB 4.48Å; I146-F164 HydrophobicContact CG2-CB 4.24Å; I146-F164 HydrophobicContact CG2-CD2 3.51Å; I146-F164 HydrophobicContact CG2-CE2 4.2Å; I146-F164 HydrophobicContact CG2-CG 4.02Å; Y147-F164 WeakPolarHBondContact O-CB 3.37Å; F164-F166 AromaticContact CE2-CD1 3.76Å; F164-F166 HydrophobicContact CE2-CD1 3.76Å; F164-F166 AromaticContact CE2-CD2 3.73Å; F164-F166 HydrophobicContact CE2-CD2 3.73Å; F164-F166 AromaticContact CE2-CE1 3.49Å; F164-F166 HydrophobicContact CE2-CE1 3.49Å; F164-F166 VanDerWaalsContact CE2-CE1 3.49Å; F164-F166 AromaticContact CE2-CE2 3.48Å; F164-F166 HydrophobicContact CE2-CE2 3.48Å; F164-F166 VanDerWaalsContact CE2-CE2 3.48Å; F164-F166 AromaticContact CE2-CG 3.89Å; F164-F166 HydrophobicContact CE2-CG 3.89Å; F164-F166 AromaticContact CE2-CZ 3.36Å; F164-F166 HydrophobicContact CE2-CZ 3.36Å; F164-F166 HydrophobicContact CZ-CD2 4.34Å; F164-F166 HydrophobicContact CZ-CE1 4.04Å; F164-F166 AromaticContact CZ-CE2 3.66Å; F164-F166 HydrophobicContact CZ-CE2 3.66Å; F164-F166 AromaticContact CZ-CZ 3.5Å; F164-F166 HydrophobicContact CZ-CZ 3.5Å; F164-F166 VanDerWaalsContact CZ-CZ 3.5Å; F164-W225 WeakPolarHBondContact CD1-O 3.21Å; F164-W225 HydrophobicContact CE1-CB 4.07Å; F164-W225 VanDerWaalsContact CE1-O 3.29Å; F164-W225 WeakPolarHBondContact CE1-O 3.37Å; F164-W225 HydrophobicContact CE2-CB 3.93Å; F164-W225 HydrophobicContact CZ-CB 3.62Å; F164-W225 PolarHBondContact N-O 2.87Å; F164-W225 PolarHBondContact O-N 2.64Å; F164-L227 HydrophobicContact CE1-CD1 4.38Å; F164-L227 HydrophobicContact CE1-CD2 3.76Å; F164-L227 HydrophobicContact CE1-CG 3.62Å; F164-L227 HydrophobicContact CZ-CD2 3.64Å; F164-L227 HydrophobicContact CZ-CG 4.01Å
165V95.1Very high83.6Confident2 Ų227 Ų271%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-126.7138.6175.3-176.90000110.8Y147 L149 Y192 P219 S223Y147-V165 PolarHBondContact N-O 2.96Å; Y147-V165 PolarHBondContact O-N 3.13Å; L149-V165 HydrophobicContact CD2-CG2 3.71Å; V165-Y192 HydrophobicContact CG1-CD1 3.45Å; V165-Y192 VanDerWaalsContact CG1-CD1 3.45Å; V165-Y192 HydrophobicContact CG1-CE1 4.29Å; V165-Y192 HydrophobicContact CG1-CG 4Å; V165-P219 HydrophobicContact CG1-CB 4.09Å; V165-P219 HydrophobicContact CG2-CB 4.16Å; V165-S223 WeakPolarHBondContact CG1-O 3.29Å
166F94.9Very high82.8Confident0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-89.9126.4164.6-61.8-69.8000109.6I72 I74 F144 I146 F164 Y192 L193 W225 I251 L298I72-F166 HydrophobicContact CD1-CD1 4.08Å; I72-F166 HydrophobicContact CD1-CE1 3.69Å; I74-F166 HydrophobicContact CD1-CB 4.44Å; I74-F166 HydrophobicContact CD1-CD1 3.71Å; I74-F166 HydrophobicContact CD1-CD2 3.93Å; I74-F166 HydrophobicContact CD1-CE1 3.75Å; I74-F166 HydrophobicContact CD1-CE2 3.95Å; I74-F166 HydrophobicContact CD1-CG 3.79Å; I74-F166 HydrophobicContact CD1-CZ 3.85Å; I74-F166 HydrophobicContact CG1-CD1 4.39Å; I74-F166 HydrophobicContact CG1-CE1 4.06Å; I74-F166 HydrophobicContact CG1-CZ 4.23Å; F144-F166 HydrophobicContact CB-CB 4.47Å; F144-F166 HydrophobicContact CD1-CB 4.13Å; I146-F166 HydrophobicContact CG1-CD1 4.25Å; I146-F166 HydrophobicContact CG1-CE1 4.32Å; F164-F166 AromaticContact CE2-CD1 3.76Å; F164-F166 HydrophobicContact CE2-CD1 3.76Å; F164-F166 AromaticContact CE2-CD2 3.73Å; F164-F166 HydrophobicContact CE2-CD2 3.73Å; F164-F166 AromaticContact CE2-CE1 3.49Å; F164-F166 HydrophobicContact CE2-CE1 3.49Å; F164-F166 VanDerWaalsContact CE2-CE1 3.49Å; F164-F166 AromaticContact CE2-CE2 3.48Å; F164-F166 HydrophobicContact CE2-CE2 3.48Å; F164-F166 VanDerWaalsContact CE2-CE2 3.48Å; F164-F166 AromaticContact CE2-CG 3.89Å; F164-F166 HydrophobicContact CE2-CG 3.89Å; F164-F166 AromaticContact CE2-CZ 3.36Å; F164-F166 HydrophobicContact CE2-CZ 3.36Å; F164-F166 HydrophobicContact CZ-CD2 4.34Å; F164-F166 HydrophobicContact CZ-CE1 4.04Å; F164-F166 AromaticContact CZ-CE2 3.66Å; F164-F166 HydrophobicContact CZ-CE2 3.66Å; F164-F166 AromaticContact CZ-CZ 3.5Å; F164-F166 HydrophobicContact CZ-CZ 3.5Å; F164-F166 VanDerWaalsContact CZ-CZ 3.5Å; F166-Y192 WeakPolarHBondContact O-CA 3.42Å; F166-L193 HydrophobicContact CB-CB 4.12Å; F166-L193 HydrophobicContact CD2-CD2 3.99Å; F166-L193 PolarHBondContact O-N 2.84Å; F166-W225 HydrophobicContact CD2-CB 4.42Å; F166-W225 AromaticContact CD2-CD1 3.91Å; F166-W225 HydrophobicContact CD2-CG 4.05Å; F166-W225 HydrophobicContact CE2-CB 4.23Å; F166-W225 HydrophobicContact CE2-CG 4.19Å; F166-I251 HydrophobicContact CE2-CD1 4.3Å; F166-I251 HydrophobicContact CE2-CG2 3.84Å; F166-I251 HydrophobicContact CZ-CD1 4.09Å; F166-I251 HydrophobicContact CZ-CG2 4.47Å; F166-L298 HydrophobicContact CE1-CD1 4.43Å; F166-L298 HydrophobicContact CE1-CD2 4.18Å; F166-L298 HydrophobicContact CZ-CD1 4.42Å; F166-L298 HydrophobicContact CZ-CD2 4.09Å
167G92.5Very high81.5Confident0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-118.3125.1171.300000111.3F144 R145 L191F144-G167 WeakPolarHBondContact CA-O 3.22Å; R145-G167 PolarHBondContact N-O 2.84Å; R145-G167 PolarHBondContact O-N 2.92Å; G167-L191 CarbonylContact C-O 3.57Å; G167-L191 WeakPolarHBondContact CA-O 3.49Å
168L88.7Confident80.1Confident0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-71.9132.6164.1-160.787.4000108L99 A140 V143 F144 L191 F214L99-L168 HydrophobicContact CB-CD2 3.85Å; L99-L168 HydrophobicContact CD1-CD2 4.31Å; L99-L168 HydrophobicContact CD2-CD2 3.83Å; L99-L168 HydrophobicContact CG-CD2 4.22Å; A140-L168 WeakPolarHBondContact O-CD2 3.13Å; V143-L168 WeakPolarHBondContact O-CD1 3.28Å; F144-L168 HydrophobicContact CD1-CB 4.14Å; F144-L168 HydrophobicContact CD1-CD1 4.06Å; F144-L168 HydrophobicContact CD2-CD1 4.28Å; F144-L168 HydrophobicContact CE1-CB 3.86Å; F144-L168 HydrophobicContact CE1-CD1 3.62Å; F144-L168 HydrophobicContact CE1-CG 4.38Å; F144-L168 HydrophobicContact CE2-CD1 3.85Å; F144-L168 HydrophobicContact CG-CD1 4.35Å; F144-L168 HydrophobicContact CZ-CD1 3.48Å; F144-L168 VanDerWaalsContact CZ-CD1 3.48Å; L168-L191 HydrophobicContact CB-CB 4.15Å; L168-L191 HydrophobicContact CD2-CD1 4.1Å; L168-L191 PolarHBondContact N-O 3.02Å; L168-L191 PolarHBondContact O-N 2.93Å; L168-L191 VanDerWaalsContact O-N 3.11Å; L168-F214 HydrophobicContact CB-CE1 4.27Å
169Q74.9Confident78.9Confident5 Ų532.7 Ų32.72%0.02318%0.177CC..  trans-91.4129.6-173.6-57.8-161.1-104.300113.4N71 R145 D171 I172N71-Q169 PolarHBondContact ND2-OE1 2.85Å; N71-Q169 PolarHBondContact OD1-OE1 2.76Å; N71-Q169 VanDerWaalsContact OD1-OE1 3.14Å; R145-Q169 HydrophobicContact CB-CG 3.86Å; R145-Q169 VanDerWaalsContact NH2-CD 3.34Å; R145-Q169 VanDerWaalsContact NH2-NE2 3.14Å; Q169-D171 WeakPolarHBondContact CB-OD1 3.38Å; Q169-D171 PolarHBondContact NE2-OD1 3.23Å; Q169-D171 VanDerWaalsContact NE2-OD1 3.08Å; Q169-D171 PolarHBondContact NE2-OD2 2.57Å; Q169-I172 HydrophobicContact CB-CD1 4.34Å; Q169-I172 HydrophobicContact CB-CG1 4.46Å
170P64.8Low77.3Confident1 Ų131 Ų311%0.00619%0.185CC..Hα-helixtrans-81.3-16173.5-4.422.3000113.1F119 I172 I173 S174 Q189F119-P170 HydrophobicContact CE2-CB 4.49Å; P170-I172 PolarHBondContact O-N 2.88Å; P170-I173 PolarHBondContact O-N 3.28Å; P170-S174 VanDerWaalsContact O-CB 3.28Å; P170-S174 WeakPolarHBondContact O-CB 3.42Å; P170-S174 PolarHBondContact O-N 3.11Å; P170-Q189 WeakPolarHBondContact CG-O 3.38Å
171D64.5Low75.6Confident57 Ų5731.1 Ų31.131%0.30519%0.186SC..Hα-helixtrans-59.8-46.717861.4-3.6000111Q169 I173 S174 T175Q169-D171 WeakPolarHBondContact CB-OD1 3.38Å; Q169-D171 PolarHBondContact NE2-OD1 3.23Å; Q169-D171 VanDerWaalsContact NE2-OD1 3.08Å; Q169-D171 PolarHBondContact NE2-OD2 2.57Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 2.91Å; D171-S174 PolarHBondContact O-N 3.34Å; D171-T175 WeakPolarHBondContact O-CG2 3.11Å; D171-T175 PolarHBondContact O-N 2.93Å
172I63Low74.3Confident18 Ų1833.8 Ų33.89%0.09220%0.195CC..Hα-helixtrans-55.1-44.5174.2-60.7172.9000111I55 A140 V143 Q169 P170 T175I55-I172 HydrophobicContact CB-CG2 4.42Å; I55-I172 HydrophobicContact CD1-CG2 3.43Å; I55-I172 VanDerWaalsContact CD1-CG2 3.43Å; I55-I172 HydrophobicContact CG1-CG2 3.74Å; I55-I172 HydrophobicContact CG2-CG2 4.24Å; A140-I172 HydrophobicContact CB-CB 4.28Å; A140-I172 HydrophobicContact CB-CG2 3.56Å; V143-I172 HydrophobicContact CB-CD1 4.4Å; V143-I172 HydrophobicContact CG1-CD1 4.02Å; Q169-I172 HydrophobicContact CB-CD1 4.34Å; Q169-I172 HydrophobicContact CB-CG1 4.46Å; P170-I172 PolarHBondContact O-N 2.88Å; I172-T175 PolarHBondContact O-OG1 2.96Å
173I64.3Low73Confident5 Ų540 Ų403%0.02622%0.221CC..Hα-helixtrans-66.3-48.4178-55.6178.2000109.9I51 F119 A140 P170 D171 T175 K176 C177 L185I51-I173 HydrophobicContact CD1-CD1 4.09Å; I51-I173 HydrophobicContact CD1-CG2 4.18Å; I51-I173 HydrophobicContact CG1-CD1 4.19Å; I51-I173 HydrophobicContact CG1-CG1 4.21Å; I51-I173 HydrophobicContact CG1-CG2 3.95Å; F119-I173 HydrophobicContact CE2-CD1 4.05Å; F119-I173 HydrophobicContact CZ-CD1 3.62Å; A140-I173 HydrophobicContact CB-CG1 3.65Å; P170-I173 PolarHBondContact O-N 3.28Å; D171-I173 VanDerWaalsContact C-N 3.3Å; D171-I173 PolarHBondContact O-N 2.91Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 3.43Å; I173-K176 WeakPolarHBondContact O-CB 3.49Å; I173-K176 PolarHBondContact O-N 2.88Å; I173-C177 PolarHBondContact O-N 3.27Å; I173-C177 PolarHBondContact O-SG 2.87Å; I173-C177 VanDerWaalsContact O-SG 3.41Å; I173-L185 HydrophobicContact CG2-CD1 4.09Å
174S63.6Low71.5Confident16 Ų1640.5 Ų40.511%0.11222%0.218CC..Hα-helixtrans-59-37.4-179.6-165.50000112.4P170 D171 K176 C177 Q182P170-S174 VanDerWaalsContact O-CB 3.28Å; P170-S174 WeakPolarHBondContact O-CB 3.42Å; P170-S174 PolarHBondContact O-N 3.11Å; D171-S174 PolarHBondContact O-N 3.34Å; S174-K176 PolarHBondContact O-N 2.83Å; S174-K176 VanDerWaalsContact O-N 3.12Å; S174-C177 PolarHBondContact O-N 2.91Å; S174-C177 VanDerWaalsContact O-N 3.11Å; S174-Q182 VanDerWaalsContact O-CG 3.31Å; S174-Q182 WeakPolarHBondContact O-CG 3.45Å; S174-Q182 PolarHBondContact O-NE2 3.24Å
175T63.7Low70.2Confident106 Ų10640.7 Ų40.765%0.6522%0.218SC*.THydrogen-bonded Turntrans-63.3-16.6174.763.50000114.7D171 I172 I173D171-T175 WeakPolarHBondContact O-CG2 3.11Å; D171-T175 PolarHBondContact O-N 2.93Å; I172-T175 PolarHBondContact O-OG1 2.96Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 3.43Å
176K64.8Low68.8Low89 Ų8944.2 Ų44.239%0.38724%0.237SC..THydrogen-bonded Turntrans-99.2-18.8175-58.4-72.6-169162.30113.3T53 I173 S174T53-K176 PolarHBondContact OG1-NZ 2.93Å; I173-K176 WeakPolarHBondContact O-CB 3.49Å; I173-K176 PolarHBondContact O-N 2.88Å; S174-K176 PolarHBondContact O-N 2.83Å; S174-K176 VanDerWaalsContact O-N 3.12Å
177C63.5Low67.3Low12 Ų1246.7 Ų46.78%0.08126%0.258CS..SBendtrans-76.9155-180-69.30000112.3I173 S174 L181 Q182 L185I173-C177 PolarHBondContact O-N 3.27Å; I173-C177 PolarHBondContact O-SG 2.87Å; I173-C177 VanDerWaalsContact O-SG 3.41Å; S174-C177 PolarHBondContact O-N 2.91Å; S174-C177 VanDerWaalsContact O-N 3.11Å; C177-L181 HydrophobicContact CB-CB 4.01Å; C177-Q182 HydrophobicContact CB-CG 4.17Å; C177-Q182 PolarHBondContact O-NE2 2.78Å; C177-Q182 VanDerWaalsContact O-NE2 3.16Å; C177-L185 HydrophobicContact CB-CD1 4.24Å; C177-L185 VanDerWaalsContact SG-CD1 3.5Å
178N62.3Low66.1Low59 Ų5953.5 Ų53.532%0.31629%0.294SS..  trans-69.8162.817073.930.5000111.2A180 L181 Q182N178-A180 PolarHBondContact O-N 2.55Å; N178-A180 VanDerWaalsContact O-N 3.15Å; N178-A180 WeakPolarHBondContact OD1-CB 3.41Å; N178-A180 PolarHBondContact OD1-N 2.96Å; N178-A180 VanDerWaalsContact OD1-N 3.15Å; N178-L181 PolarHBondContact O-N 3.5Å; N178-L181 WeakPolarHBondContact OD1-CG 3.2Å; N178-L181 PolarHBondContact OD1-N 2.9Å; N178-Q182 WeakPolarHBondContact O-CG 3.48Å; N178-Q182 PolarHBondContact O-N 2.7Å
179V67.4Low65.5Low100 Ų10055.9 Ų55.961%0.60631%0.305SS*.Hα-helixtrans-60.9-26.9-174.8-1780000113.5K183V179-K183 WeakPolarHBondContact O-CG 3.21Å; V179-K183 PolarHBondContact O-N 2.89Å
180A62.3Low65.9Low68 Ų6856.1 Ų56.156%0.56231%0.308SS*.Hα-helixtrans-70.2-37.9175.500000111.6N178 K183N178-A180 PolarHBondContact O-N 2.55Å; N178-A180 VanDerWaalsContact O-N 3.15Å; N178-A180 WeakPolarHBondContact OD1-CB 3.41Å; N178-A180 PolarHBondContact OD1-N 2.96Å; N178-A180 VanDerWaalsContact OD1-N 3.15Å; A180-K183 WeakPolarHBondContact O-CB 3.25Å; A180-K183 PolarHBondContact O-N 3.25Å
181L61.2Low67.1Low8 Ų856.2 Ų56.24%0.04231%0.308CS..Hα-helixtrans-84.3-29.4-179.7-64.7171.6000112.6F43 L46 C177 N178 K183 K184 L185F43-L181 HydrophobicContact CD2-CD1 3.59Å; F43-L181 HydrophobicContact CD2-CD2 3.46Å; F43-L181 VanDerWaalsContact CD2-CD2 3.46Å; F43-L181 HydrophobicContact CD2-CG 4.02Å; F43-L181 HydrophobicContact CE2-CD1 4.29Å; F43-L181 HydrophobicContact CE2-CD2 4.01Å; F43-L181 HydrophobicContact CG-CD2 4.49Å; L46-L181 HydrophobicContact CD1-CD1 3.4Å; C177-L181 HydrophobicContact CB-CB 4.01Å; N178-L181 PolarHBondContact O-N 3.5Å; N178-L181 WeakPolarHBondContact OD1-CG 3.2Å; N178-L181 PolarHBondContact OD1-N 2.9Å; L181-K183 PolarHBondContact O-N 2.55Å; L181-K184 CarbonylContact O-C 3.55Å; L181-K184 PolarHBondContact O-N 3.34Å; L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.45Å; L181-L185 PolarHBondContact O-N 2.82Å
182Q65.4Low68.5Low72 Ų7254.7 Ų54.734%0.33630%0.298SS..Hα-helixtrans-56.3-29.6165.2-70.6177.3-15.700112.2S174 C177 N178 L185S174-Q182 VanDerWaalsContact O-CG 3.31Å; S174-Q182 WeakPolarHBondContact O-CG 3.45Å; S174-Q182 PolarHBondContact O-NE2 3.24Å; C177-Q182 HydrophobicContact CB-CG 4.17Å; C177-Q182 PolarHBondContact O-NE2 2.78Å; C177-Q182 VanDerWaalsContact O-NE2 3.16Å; N178-Q182 WeakPolarHBondContact O-CG 3.48Å; N178-Q182 PolarHBondContact O-N 2.7Å; Q182-L185 VanDerWaalsContact O-O 3.12Å
183K65.8Low70Confident167 Ų16753.8 Ų53.873%0.72629%0.293SS*.Hα-helixtrans-77.2-26.1173.1-69.4173.8179-177.20114.1V179 A180 L181V179-K183 WeakPolarHBondContact O-CG 3.21Å; V179-K183 PolarHBondContact O-N 2.89Å; A180-K183 WeakPolarHBondContact O-CB 3.25Å; A180-K183 PolarHBondContact O-N 3.25Å; L181-K183 PolarHBondContact O-N 2.55Å
184K64.9Low71.5Confident65 Ų6553.6 Ų53.628%0.28329%0.292SS..Hα-helixtrans-82.9-20.2169.7-70.5-156.7176.6-165.70112.3S114 N117 I118 L181S114-K184 PolarHBondContact O-NZ 2.96Å; N117-K184 WeakPolarHBondContact CA-O 3.31Å; N117-K184 VanDerWaalsContact CB-O 3.23Å; N117-K184 WeakPolarHBondContact CB-O 3.32Å; N117-K184 PolarHBondContact OD1-O 3.15Å; I118-K184 HydrophobicContact CD1-CB 3.49Å; I118-K184 VanDerWaalsContact CD1-CB 3.49Å; I118-K184 HydrophobicContact CD1-CD 4.28Å; L181-K184 CarbonylContact O-C 3.55Å; L181-K184 PolarHBondContact O-N 3.34Å
185L67Low72.9Confident4 Ų452.8 Ų52.82%0.02129%0.287CS..SBendtrans-96.692.8178.1-69.2178.1000111.7I118 F119 I173 C177 L181 Q182 A187I118-L185 HydrophobicContact CD1-CD2 3.94Å; I118-L185 HydrophobicContact CD1-CG 4.23Å; F119-L185 HydrophobicContact CD2-CD2 3.8Å; F119-L185 HydrophobicContact CE2-CD2 3.57Å; I173-L185 HydrophobicContact CG2-CD1 4.09Å; C177-L185 HydrophobicContact CB-CD1 4.24Å; C177-L185 VanDerWaalsContact SG-CD1 3.5Å; L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.45Å; L181-L185 PolarHBondContact O-N 2.82Å; Q182-L185 VanDerWaalsContact O-O 3.12Å; L185-A187 PolarHBondContact O-N 2.66Å
186N66.2Low74Confident76 Ų7649.6 Ų49.641%0.40627%0.266SS..  trans-61.3110.7171-66.2-40.3000109.8N117 D188 Q189N117-N186 PolarHBondContact ND2-N 2.76Å; N186-D188 PolarHBondContact O-N 3.34Å; N186-D188 VanDerWaalsContact O-N 3.14Å; N186-Q189 HydrophobicContact CB-CB 4.09Å; N186-Q189 HydrophobicContact CB-CG 3.81Å; N186-Q189 PolarHBondContact ND2-OE1 3.26Å; N186-Q189 PolarHBondContact O-N 2.85Å
187A63.1Low74.8Confident52 Ų5249.3 Ų49.343%0.4327%0.268SS..THydrogen-bonded Turntrans-57.6-30.5-175.500000113.4L185L185-A187 PolarHBondContact O-N 2.66Å
188D66.1Low74.9Confident144 Ų14451.4 Ų51.477%0.7728%0.277SS*.THydrogen-bonded Turntrans-76-18.7179.7-50.8-49000113.6N186 C190N186-D188 PolarHBondContact O-N 3.34Å; N186-D188 VanDerWaalsContact O-N 3.14Å; D188-C190 VanDerWaalsContact C-N 3.31Å; D188-C190 PolarHBondContact O-N 2.81Å
189Q76Confident74.8Confident50 Ų5055.4 Ų55.423%0.23429%0.293CS..  trans-83.769.5-172.3-73.9-174-3400112.7N117 N120 P170 N186N117-Q189 PolarHBondContact ND2-OE1 3.11Å; N120-Q189 PolarHBondContact ND2-OE1 2.9Å; P170-Q189 WeakPolarHBondContact CG-O 3.38Å; N186-Q189 HydrophobicContact CB-CB 4.09Å; N186-Q189 HydrophobicContact CB-CG 3.81Å; N186-Q189 PolarHBondContact ND2-OE1 3.26Å; N186-Q189 PolarHBondContact O-N 2.85Å
190C84.3Confident74Confident10 Ų1059.7 Ų59.77%0.06831%0.312CS..  trans-59.3151.6176.5-60.90000113Y147 D188 Y192 G217Y147-C190 PolarHBondContact OH-SG 3Å; Y147-C190 VanDerWaalsContact OH-SG 3.32Å; D188-C190 VanDerWaalsContact C-N 3.31Å; D188-C190 PolarHBondContact O-N 2.81Å; C190-Y192 HydrophobicContact CB-CE1 3.94Å; C190-Y192 HydrophobicContact CB-CE2 3.96Å; C190-G217 PolarHBondContact O-N 3.39Å
191L90.5Very high73.6Confident2 Ų259.6 Ų59.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-101103.8177.4-44.8-179.1000108.6L99 F119 L128 G167 L168 F214 V216L99-L191 HydrophobicContact CD1-CD1 4.02Å; L99-L191 HydrophobicContact CD2-CD1 4.4Å; F119-L191 HydrophobicContact CB-CD2 3.71Å; F119-L191 HydrophobicContact CD1-CD1 3.89Å; F119-L191 HydrophobicContact CD1-CD2 4.31Å; F119-L191 HydrophobicContact CD2-CD2 4.27Å; F119-L191 HydrophobicContact CE1-CD1 4.05Å; F119-L191 HydrophobicContact CG-CD1 4.16Å; F119-L191 HydrophobicContact CG-CD2 3.85Å; F119-L191 HydrophobicContact CZ-CD1 4.44Å; L128-L191 HydrophobicContact CD2-CD1 4.31Å; L128-L191 HydrophobicContact CD2-CD2 4.28Å; G167-L191 CarbonylContact C-O 3.57Å; G167-L191 WeakPolarHBondContact CA-O 3.49Å; L168-L191 HydrophobicContact CB-CB 4.15Å; L168-L191 HydrophobicContact CD2-CD1 4.1Å; L168-L191 PolarHBondContact N-O 3.02Å; L168-L191 PolarHBondContact O-N 2.93Å; L168-L191 VanDerWaalsContact O-N 3.11Å; L191-F214 HydrophobicContact CB-CB 4.14Å; L191-F214 HydrophobicContact CB-CD1 3.6Å; L191-F214 HydrophobicContact CB-CE1 4.21Å; L191-F214 HydrophobicContact CB-CG 3.97Å; L191-F214 WeakPolarHBondContact O-CD1 3.3Å; L191-V216 HydrophobicContact CD2-CB 4.42Å; L191-V216 HydrophobicContact CD2-CG1 3.92Å; L191-V216 HydrophobicContact CD2-CG2 4.07Å
192Y93.4Very high73.4Confident25 Ų2562.7 Ų62.710%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-88.6130.5-175.3-59.2-71.5000111.4Y147 V165 F166 C190 A194 F214 E215 P219 S223Y147-Y192 HydrophobicContact CD2-CE1 4.07Å; Y147-Y192 HydrophobicContact CE2-CE1 4.28Å; Y147-Y192 HydrophobicContact CG-CE1 4.28Å; V165-Y192 HydrophobicContact CG1-CD1 3.45Å; V165-Y192 VanDerWaalsContact CG1-CD1 3.45Å; V165-Y192 HydrophobicContact CG1-CE1 4.29Å; V165-Y192 HydrophobicContact CG1-CG 4Å; F166-Y192 WeakPolarHBondContact O-CA 3.42Å; C190-Y192 HydrophobicContact CB-CE1 3.94Å; C190-Y192 HydrophobicContact CB-CE2 3.96Å; Y192-A194 PolarHBondContact O-N 2.88Å; Y192-F214 CarbonylContact O-C 3.57Å; Y192-F214 WeakPolarHBondContact O-CA 3.42Å; Y192-E215 PolarHBondContact N-O 3.36Å; Y192-E215 PolarHBondContact O-N 2.85Å; Y192-P219 HydrophobicContact CD1-CB 4.18Å; Y192-P219 HydrophobicContact CD2-CB 3.88Å; Y192-P219 HydrophobicContact CD2-CG 4.27Å; Y192-P219 HydrophobicContact CE1-CG 4.41Å; Y192-P219 HydrophobicContact CE2-CB 4.29Å; Y192-P219 VanDerWaalsContact CE2-CD 3.49Å; Y192-P219 HydrophobicContact CE2-CG 4.17Å; Y192-P219 HydrophobicContact CG-CB 3.8Å; Y192-P219 HydrophobicContact CG-CG 4.44Å; Y192-S223 VanDerWaalsContact CB-OG 3.29Å; Y192-S223 WeakPolarHBondContact CB-OG 3.38Å
193L95.4Very high72.8Confident0 Ų066.8 Ų66.80%035%0.353CS..EExtended strand (participates in β ladder)trans-69.2117.4-179.6-178.963.5000109.5L97 V130 F166 L212 F214 S223 W225L97-L193 HydrophobicContact CD1-CD2 3.95Å; L97-L193 HydrophobicContact CD2-CD1 4.43Å; L97-L193 HydrophobicContact CD2-CD2 4.27Å; V130-L193 HydrophobicContact CB-CD1 4.28Å; V130-L193 HydrophobicContact CG1-CD1 3.71Å; V130-L193 HydrophobicContact CG2-CD1 3.68Å; F166-L193 HydrophobicContact CB-CB 4.12Å; F166-L193 HydrophobicContact CD2-CD2 3.99Å; F166-L193 PolarHBondContact O-N 2.84Å; L193-L212 HydrophobicContact CD1-CD2 4.09Å; L193-F214 HydrophobicContact CB-CE1 4.38Å; L193-F214 HydrophobicContact CD1-CE1 4.43Å; L193-S223 WeakPolarHBondContact O-CA 3.35Å; L193-W225 HydrophobicContact CD2-CZ2 4.14Å; L193-W225 HydrophobicContact CG-CZ2 3.91Å; L193-W225 PolarHBondContact O-NE1 3.08Å
194A94.3Very high72.3Confident0 Ų065.7 Ų65.70%036%0.355CS..EExtended strand (participates in β ladder)trans-128.3160-175.600000113Y192 L212 Y213 E215 L222Y192-A194 PolarHBondContact O-N 2.88Å; A194-L212 WeakPolarHBondContact O-CA 3.33Å; A194-Y213 HydrophobicContact CB-CD1 4.42Å; A194-Y213 HydrophobicContact CB-CD2 4.14Å; A194-Y213 HydrophobicContact CB-CE1 4.01Å; A194-Y213 HydrophobicContact CB-CE2 3.71Å; A194-Y213 HydrophobicContact CB-CG 4.47Å; A194-Y213 PolarHBondContact N-O 2.79Å; A194-Y213 PolarHBondContact O-N 3.35Å; A194-E215 HydrophobicContact CB-CB 4.4Å; A194-E215 HydrophobicContact CB-CG 3.67Å; A194-L222 VanDerWaalsContact CA-O 3.28Å; A194-L222 WeakPolarHBondContact CA-O 3.48Å; A194-L222 HydrophobicContact CB-CB 4.41Å
195S93Very high72Confident0 Ų065.3 Ų65.30%036%0.356CS..EExtended strand (participates in β ladder)trans-149.2144.5172.7-170.60000110.7S211 L222 H253 V280S195-S211 WeakPolarHBondContact CA-O 3.16Å; S195-S211 WeakPolarHBondContact CB-O 3.38Å; S195-S211 PolarHBondContact OG-O 2.86Å; S195-L222 PolarHBondContact N-O 2.86Å; S195-L222 VanDerWaalsContact N-O 3.11Å; S195-L222 WeakPolarHBondContact O-CD2 3.48Å; S195-H253 PolarHBondContact O-CE1 2.79Å; S195-H253 PolarHBondContact O-NE2 2.84Å; S195-V280 WeakPolarHBondContact OG-CG2 3.24Å
196D87.7Confident71.7Confident38 Ų3868.4 Ų68.420%0.20337%0.37CS..  trans-131.3172.4170.8-149.9-10.1000111.4Q210 Y213 L222 R255D196-Q210 WeakPolarHBondContact O-CB 3.42Å; D196-Q210 WeakPolarHBondContact O-CG 3.31Å; D196-Y213 HydrophobicContact CB-CE1 4.47Å; D196-L222 HydrophobicContact CB-CD1 4.09Å; D196-L222 HydrophobicContact CB-CD2 4.02Å; D196-L222 VanDerWaalsContact CG-CD2 3.48Å; D196-L222 WeakPolarHBondContact OD1-CD2 3.35Å; D196-L222 VanDerWaalsContact OD2-CD1 3.3Å; D196-L222 WeakPolarHBondContact OD2-CD1 3.45Å; D196-R255 IonicContact OD1-CZ 2.97Å
197L80.8Confident71.3Confident84 Ų8470.5 Ų70.544%0.4439%0.388SS..PPolyproline II helixtrans-64.2131.9170.7-49.5-174.9000109.2H199L197-H199 PolarHBondContact O-N 3.3Å
198Q67Low71.4Confident56 Ų5670.1 Ų70.126%0.26239%0.389SS..PPolyproline II helixtrans-55.7137.5177.8-77.6180-38.200111.7D202 Q206 A209Q198-D202 WeakPolarHBondContact CA-OD2 3.34Å; Q198-D202 WeakPolarHBondContact CB-OD2 3.18Å; Q198-Q206 PolarHBondContact OE1-O 2.98Å; Q198-A209 WeakPolarHBondContact CG-O 3.15Å; Q198-A209 PolarHBondContact OE1-O 3.12Å; Q198-A209 VanDerWaalsContact OE1-O 3.12Å
199H58.7Low71.9Confident142 Ų14263.4 Ų63.466%0.65735%0.354SS*.PPolyproline II helixtrans-95.1156.5169.1-75.7-69000110.9L197 G201 D202L197-H199 PolarHBondContact O-N 3.3Å; H199-G201 PolarHBondContact O-N 3.03Å; H199-D202 PolarHBondContact N-OD2 2.9Å; H199-D202 PolarHBondContact O-N 2.68Å
200L52.1Low72.3Confident191 Ų19161.6 Ų61.6100%135%0.345SS*.THydrogen-bonded Turntrans-69.994.3-179.1-174.472.2000109.9
201G52.9Low72.5Confident66 Ų6662.5 Ų62.568%0.6835%0.351SS*.THydrogen-bonded Turntrans146-14.6-176.200000114.2H199 Q203H199-G201 PolarHBondContact O-N 3.03Å; G201-Q203 PolarHBondContact O-N 3.41Å
202D57.3Low72.5Confident72 Ų7263.3 Ų63.339%0.38536%0.356SS..  trans-58.7118.2179.4-68.1-16.1000111.7Q198 H199Q198-D202 WeakPolarHBondContact CA-OD2 3.34Å; Q198-D202 WeakPolarHBondContact CB-OD2 3.18Å; H199-D202 PolarHBondContact N-OD2 2.9Å; H199-D202 PolarHBondContact O-N 2.68Å
203Q53.5Low72.5Confident158 Ų15865.7 Ų65.774%0.73837%0.365SS*.  trans-83.6153.2-179.9-59.4-173.73800111.6G201 L205G201-Q203 PolarHBondContact O-N 3.41Å; Q203-L205 PolarHBondContact O-N 3.35Å
204N54Low72.3Confident144 Ų14466.1 Ų66.177%0.7737%0.367SS*.SBendtrans68.213.9165.5-53.5-43.3000118.7
205L57.9Low72.1Confident58 Ų5867.5 Ų67.530%0.30437%0.374SS..SBendtrans-122.4149.1165.5-80.890.3000112Q203 A209Q203-L205 PolarHBondContact O-N 3.35Å; L205-A209 HydrophobicContact CB-CB 4.25Å; L205-A209 HydrophobicContact CD2-CB 4.18Å
206Q61.7Low71.8Confident69 Ų6969.2 Ų69.232%0.32238%0.384SS..  trans-60.2149.6179.8-71.8-165.514.300112.6Q198 G208 A209 F266Q198-Q206 PolarHBondContact OE1-O 2.98Å; Q206-G208 PolarHBondContact O-N 3.11Å; Q206-G208 VanDerWaalsContact O-N 3.17Å; Q206-A209 HydrophobicContact CB-CB 4.45Å; Q206-A209 WeakPolarHBondContact O-CB 3.33Å; Q206-A209 PolarHBondContact O-N 3Å; Q206-F266 HydrophobicContact CG-CE2 4.31Å; Q206-F266 HydrophobicContact CG-CZ 3.99Å; Q206-F266 VanDerWaalsContact NE2-CZ 3.33Å
207P58.5Low71.7Confident120 Ų12068.3 Ų68.378%0.77938%0.384SS*.THydrogen-bonded Turntrans-57.3121.4173.923.8-34.1000111.4
208G64.8Low72Confident44 Ų4474.7 Ų74.745%0.45440%0.402SS..THydrogen-bonded Turntrans87.9-0.5179.600000115.2Q206 K258Q206-G208 PolarHBondContact O-N 3.11Å; Q206-G208 VanDerWaalsContact O-N 3.17Å; G208-K258 PolarHBondContact O-NZ 2.76Å
209A76.3Confident73.1Confident3 Ų374.7 Ų74.73%0.02541%0.407CS..  trans-64.1174156.700000110.3Q198 L205 Q206Q198-A209 WeakPolarHBondContact CG-O 3.15Å; Q198-A209 PolarHBondContact OE1-O 3.12Å; Q198-A209 VanDerWaalsContact OE1-O 3.12Å; L205-A209 HydrophobicContact CB-CB 4.25Å; L205-A209 HydrophobicContact CD2-CB 4.18Å; Q206-A209 HydrophobicContact CB-CB 4.45Å; Q206-A209 WeakPolarHBondContact O-CB 3.33Å; Q206-A209 PolarHBondContact O-N 3Å
210Q85.2Confident74.6Confident12 Ų1270 Ų706%0.05639%0.39CS..  trans-134.7135.5170-80.4166.85.500108.3D196 S256 S279 V280D196-Q210 WeakPolarHBondContact O-CB 3.42Å; D196-Q210 WeakPolarHBondContact O-CG 3.31Å; Q210-S256 PolarHBondContact OE1-OG 3.48Å; Q210-S279 WeakPolarHBondContact O-CA 3.16Å; Q210-V280 HydrophobicContact CB-CB 3.75Å; Q210-V280 HydrophobicContact CB-CG1 4.23Å; Q210-V280 WeakPolarHBondContact CB-O 3.48Å; Q210-V280 PolarHBondContact O-N 2.97Å
211S87.5Confident76.5Confident28 Ų2865.9 Ų65.920%0.19636%0.364CS..  trans-74.5150.7-174.4-53.60000110.8S195S195-S211 WeakPolarHBondContact CA-O 3.16Å; S195-S211 WeakPolarHBondContact CB-O 3.38Å; S195-S211 PolarHBondContact OG-O 2.86Å
212L91.6Very high78.5Confident19 Ų1963.6 Ų63.610%0.09934%0.337CS..EExtended strand (participates in β ladder)trans-116.4132.9176.6-76.3154.1000108.9V130 L193 A194 W225 L260 L278 V280V130-L212 HydrophobicContact CB-CB 3.96Å; V130-L212 HydrophobicContact CG2-CB 3.88Å; L193-L212 HydrophobicContact CD1-CD2 4.09Å; A194-L212 WeakPolarHBondContact O-CA 3.33Å; L212-W225 HydrophobicContact CD2-CH2 3.73Å; L212-W225 HydrophobicContact CD2-CZ2 3.97Å; L212-L260 HydrophobicContact CD1-CD1 3.54Å; L212-L260 HydrophobicContact CD2-CD1 4.16Å; L212-L278 HydrophobicContact CD1-CB 3.39Å; L212-V280 HydrophobicContact CD1-CG2 4.27Å; L212-V280 HydrophobicContact CD2-CG2 3.67Å; L212-V280 HydrophobicContact CG-CG2 3.94Å
213Y91.4Very high80.2Confident75 Ų7560.2 Ų60.229%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-146.4177.3-178.465.6-83.6000110.6A194 D196 E215 L222A194-Y213 HydrophobicContact CB-CD1 4.42Å; A194-Y213 HydrophobicContact CB-CD2 4.14Å; A194-Y213 HydrophobicContact CB-CE1 4.01Å; A194-Y213 HydrophobicContact CB-CE2 3.71Å; A194-Y213 HydrophobicContact CB-CG 4.47Å; A194-Y213 PolarHBondContact N-O 2.79Å; A194-Y213 PolarHBondContact O-N 3.35Å; D196-Y213 HydrophobicContact CB-CE1 4.47Å; Y213-E215 HydrophobicContact CD2-CG 4.42Å; Y213-E215 HydrophobicContact CE2-CG 3.64Å; Y213-L222 WeakPolarHBondContact OH-CD1 3.35Å
214F91.8Very high82.2Confident10 Ų1054.1 Ų54.14%0.04429%0.29CS..EExtended strand (participates in β ladder)trans-110.3117.9176.7-81.2-66.5000111.8L99 L128 G129 V130 F144 L168 L191 Y192 L193L99-F214 HydrophobicContact CB-CE2 4.44Å; L99-F214 HydrophobicContact CD1-CD2 3.56Å; L99-F214 HydrophobicContact CD1-CE2 3.45Å; L99-F214 VanDerWaalsContact CD1-CE2 3.45Å; L99-F214 HydrophobicContact CD1-CG 4.49Å; L99-F214 HydrophobicContact CD1-CZ 4.32Å; L128-F214 HydrophobicContact CD2-CB 3.88Å; L128-F214 HydrophobicContact CG-CB 4.26Å; L128-F214 HydrophobicContact CG-CD2 4.44Å; G129-F214 WeakPolarHBondContact O-CD2 3.3Å; G129-F214 VanDerWaalsContact O-CE2 3.31Å; G129-F214 WeakPolarHBondContact O-CE2 3.34Å; V130-F214 HydrophobicContact CB-CE2 4.33Å; V130-F214 HydrophobicContact CG1-CE2 4.33Å; V130-F214 HydrophobicContact CG1-CZ 4.38Å; V130-F214 HydrophobicContact CG2-CD2 3.91Å; V130-F214 HydrophobicContact CG2-CE2 3.69Å; V130-F214 HydrophobicContact CG2-CZ 4.18Å; F144-F214 AromaticContact CE1-CE1 3.91Å; F144-F214 HydrophobicContact CE1-CE1 3.91Å; F144-F214 AromaticContact CE1-CZ 3.88Å; F144-F214 HydrophobicContact CE1-CZ 3.88Å; F144-F214 HydrophobicContact CZ-CZ 4.14Å; L168-F214 HydrophobicContact CB-CE1 4.27Å; L191-F214 HydrophobicContact CB-CB 4.14Å; L191-F214 HydrophobicContact CB-CD1 3.6Å; L191-F214 HydrophobicContact CB-CE1 4.21Å; L191-F214 HydrophobicContact CB-CG 3.97Å; L191-F214 WeakPolarHBondContact O-CD1 3.3Å; Y192-F214 CarbonylContact O-C 3.57Å; Y192-F214 WeakPolarHBondContact O-CA 3.42Å; L193-F214 HydrophobicContact CB-CE1 4.38Å; L193-F214 HydrophobicContact CD1-CE1 4.43Å
215E90.2Very high84.3Confident29 Ų2947.3 Ų47.314%0.13625%0.253CS..EExtended strand (participates in β ladder)trans-77.2120.2166-76.5-178.315200109.3Y192 A194 Y213 S220 S223Y192-E215 PolarHBondContact N-O 3.36Å; Y192-E215 PolarHBondContact O-N 2.85Å; A194-E215 HydrophobicContact CB-CB 4.4Å; A194-E215 HydrophobicContact CB-CG 3.67Å; Y213-E215 HydrophobicContact CD2-CG 4.42Å; Y213-E215 HydrophobicContact CE2-CG 3.64Å; E215-S220 VanDerWaalsContact CD-OG 3.3Å; E215-S220 WeakPolarHBondContact OE1-CB 3.43Å; E215-S220 PolarHBondContact OE1-OG 3.28Å; E215-S220 PolarHBondContact OE2-N 3.29Å; E215-S220 PolarHBondContact OE2-OG 3.2Å; E215-S223 VanDerWaalsContact OE2-CB 3.31Å; E215-S223 WeakPolarHBondContact OE2-CB 3.19Å; E215-S223 PolarHBondContact OE2-OG 2.88Å
216V87.9Confident86.1Confident35 Ų3547.6 Ų47.621%0.21225%0.25CS..EExtended strand (participates in β ladder)trans-90.5126.2-176.3-168.80000110.7F119 N120 L128 L191 R218F119-V216 HydrophobicContact CB-CG1 4.17Å; N120-V216 WeakPolarHBondContact OD1-CG1 3.4Å; L128-V216 HydrophobicContact CD2-CG2 4Å; L191-V216 HydrophobicContact CD2-CB 4.42Å; L191-V216 HydrophobicContact CD2-CG1 3.92Å; L191-V216 HydrophobicContact CD2-CG2 4.07Å; V216-R218 PolarHBondContact O-N 2.87Å
217G84.8Confident87.8Confident20 Ų2044.3 Ų44.321%0.20624%0.235CC..SBendtrans89.1-44.4166.300000116.5C190C190-G217 PolarHBondContact O-N 3.39Å
218R86.3Confident89.6Confident217 Ų21739.6 Ų39.682%0.81920%0.203SC*.SBendtrans-136.2133.4174.8-72-173.4177.4178.7-0.5111.5V216V216-R218 PolarHBondContact O-N 2.87Å
219P89.9Confident91.1Very high56 Ų5638.3 Ų38.336%0.36419%0.185SC..  trans-81.5137.3179.432.4-31.1000110.9V165 Y192V165-P219 HydrophobicContact CG1-CB 4.09Å; V165-P219 HydrophobicContact CG2-CB 4.16Å; Y192-P219 HydrophobicContact CD1-CB 4.18Å; Y192-P219 HydrophobicContact CD2-CB 3.88Å; Y192-P219 HydrophobicContact CD2-CG 4.27Å; Y192-P219 HydrophobicContact CE1-CG 4.41Å; Y192-P219 HydrophobicContact CE2-CB 4.29Å; Y192-P219 VanDerWaalsContact CE2-CD 3.49Å; Y192-P219 HydrophobicContact CE2-CG 4.17Å; Y192-P219 HydrophobicContact CG-CB 3.8Å; Y192-P219 HydrophobicContact CG-CG 4.44Å
220S91.5Very high91.9Very high45 Ų4541.5 Ų41.532%0.31520%0.199SC..  trans-97.1-171.2171.689.10000111.7E215 L222 S223E215-S220 VanDerWaalsContact CD-OG 3.3Å; E215-S220 WeakPolarHBondContact OE1-CB 3.43Å; E215-S220 PolarHBondContact OE1-OG 3.28Å; E215-S220 PolarHBondContact OE2-N 3.29Å; E215-S220 PolarHBondContact OE2-OG 3.2Å; S220-L222 PolarHBondContact O-N 3.49Å; S220-L222 WeakPolarHBondContact OG-CB 3.48Å; S220-L222 PolarHBondContact OG-N 3.4Å; S220-S223 PolarHBondContact O-N 3.25Å
221F91.9Very high92.2Very high104 Ų10443.7 Ų43.746%0.45621%0.211SC..G310 helixtrans-65.2-19.6169.4-171.3-119.8000112.9S223 Q224 V254 R255F221-S223 VanDerWaalsContact C-N 3.31Å; F221-Q224 HydrophobicContact CD2-CG 4.35Å; F221-Q224 PolarHBondContact O-N 3.21Å; F221-V254 HydrophobicContact CE2-CG1 4.12Å; F221-V254 HydrophobicContact CZ-CG1 4.19Å; F221-R255 HydrophobicContact CD1-CB 4Å; F221-R255 HydrophobicContact CD1-CG 4.1Å; F221-R255 HydrophobicContact CE1-CB 3.61Å; F221-R255 HydrophobicContact CE1-CG 3.75Å; F221-R255 HydrophobicContact CZ-CB 4.31Å
222L93.5Very high92.4Very high18 Ų1844.5 Ų44.59%0.09422%0.216CC..G310 helixtrans-76.7-17175.4-58.3174.7000113.3A194 S195 D196 Y213 S220 Q224 H253 R255A194-L222 VanDerWaalsContact CA-O 3.28Å; A194-L222 WeakPolarHBondContact CA-O 3.48Å; A194-L222 HydrophobicContact CB-CB 4.41Å; S195-L222 PolarHBondContact N-O 2.86Å; S195-L222 VanDerWaalsContact N-O 3.11Å; S195-L222 WeakPolarHBondContact O-CD2 3.48Å; D196-L222 HydrophobicContact CB-CD1 4.09Å; D196-L222 HydrophobicContact CB-CD2 4.02Å; D196-L222 VanDerWaalsContact CG-CD2 3.48Å; D196-L222 WeakPolarHBondContact OD1-CD2 3.35Å; D196-L222 VanDerWaalsContact OD2-CD1 3.3Å; D196-L222 WeakPolarHBondContact OD2-CD1 3.45Å; Y213-L222 WeakPolarHBondContact OH-CD1 3.35Å; S220-L222 PolarHBondContact O-N 3.49Å; S220-L222 WeakPolarHBondContact OG-CB 3.48Å; S220-L222 PolarHBondContact OG-N 3.4Å; L222-Q224 VanDerWaalsContact C-N 3.32Å; L222-H253 PolarHBondContact O-NE2 3.35Å; L222-R255 VanDerWaalsContact CD2-CD 3.5Å
223S94.5Very high92.4Very high0 Ų050.5 Ų50.50%024%0.243CC..G310 helixtrans-85.23173.6-84.40000113.8V165 Y192 L193 E215 S220 F221 W225V165-S223 WeakPolarHBondContact CG1-O 3.29Å; Y192-S223 VanDerWaalsContact CB-OG 3.29Å; Y192-S223 WeakPolarHBondContact CB-OG 3.38Å; L193-S223 WeakPolarHBondContact O-CA 3.35Å; E215-S223 VanDerWaalsContact OE2-CB 3.31Å; E215-S223 WeakPolarHBondContact OE2-CB 3.19Å; E215-S223 PolarHBondContact OE2-OG 2.88Å; S220-S223 PolarHBondContact O-N 3.25Å; F221-S223 VanDerWaalsContact C-N 3.31Å; S223-W225 PolarHBondContact O-NE1 3.02Å
224Q95.8Very high92.5Very high31 Ų3149.9 Ų49.915%0.14525%0.245CC..  trans-92.4125.1-170.8-63.7-169.11000113.9L149 F221 L222 H253 V254L149-Q224 HydrophobicContact CD1-CG 4.19Å; L149-Q224 HydrophobicContact CD2-CG 4.09Å; F221-Q224 HydrophobicContact CD2-CG 4.35Å; F221-Q224 PolarHBondContact O-N 3.21Å; L222-Q224 VanDerWaalsContact C-N 3.32Å; Q224-H253 PolarHBondContact O-CD2 2.99Å; Q224-H253 VanDerWaalsContact O-CD2 3.29Å; Q224-V254 HydrophobicContact CB-CB 3.92Å; Q224-V254 HydrophobicContact CB-CG2 4Å; Q224-V254 WeakPolarHBondContact O-CB 3.42Å; Q224-V254 WeakPolarHBondContact O-CG2 3.39Å; Q224-V254 PolarHBondContact O-N 2.9Å
225W97.2Very high92.6Very high0 Ų051.4 Ų51.40%025%0.25CC..EExtended strand (participates in β ladder)trans-122.2153.6-179.6-58.289000110.8P163 F164 F166 L193 L212 S223 I251 K252 H253 L260 V280P163-W225 CarbonylContact C-O 3.56Å; P163-W225 WeakPolarHBondContact CA-O 3.28Å; F164-W225 WeakPolarHBondContact CD1-O 3.21Å; F164-W225 HydrophobicContact CE1-CB 4.07Å; F164-W225 VanDerWaalsContact CE1-O 3.29Å; F164-W225 WeakPolarHBondContact CE1-O 3.37Å; F164-W225 HydrophobicContact CE2-CB 3.93Å; F164-W225 HydrophobicContact CZ-CB 3.62Å; F164-W225 PolarHBondContact N-O 2.87Å; F164-W225 PolarHBondContact O-N 2.64Å; F166-W225 HydrophobicContact CD2-CB 4.42Å; F166-W225 AromaticContact CD2-CD1 3.91Å; F166-W225 HydrophobicContact CD2-CG 4.05Å; F166-W225 HydrophobicContact CE2-CB 4.23Å; F166-W225 HydrophobicContact CE2-CG 4.19Å; L193-W225 HydrophobicContact CD2-CZ2 4.14Å; L193-W225 HydrophobicContact CG-CZ2 3.91Å; L193-W225 PolarHBondContact O-NE1 3.08Å; L212-W225 HydrophobicContact CD2-CH2 3.73Å; L212-W225 HydrophobicContact CD2-CZ2 3.97Å; S223-W225 PolarHBondContact O-NE1 3.02Å; W225-I251 HydrophobicContact CD2-CG2 4.2Å; W225-I251 HydrophobicContact CE3-CG2 3.57Å; W225-I251 HydrophobicContact CZ3-CG2 4.18Å; W225-K252 WeakPolarHBondContact CA-O 3.46Å; W225-H253 HydrophobicContact CE3-CB 4Å; W225-H253 HydrophobicContact CH2-CB 4.01Å; W225-H253 HydrophobicContact CZ3-CB 3.63Å; W225-L260 HydrophobicContact CZ3-CB 4.38Å; W225-V280 HydrophobicContact CH2-CG2 3.61Å; W225-V280 HydrophobicContact CZ3-CG2 4.08Å
226R96Very high92.7Very high64 Ų6460.7 Ų60.724%0.24228%0.284CS..EExtended strand (participates in β ladder)trans-131155.7166.474.2177.3-170.2-126.7-1.6110.9E228 K252 V254 N257R226-E228 IonicContact CZ-OE1 2.88Å; R226-E228 IonicContact NE-OE1 3.35Å; R226-E228 PolarHBondContact NE-OE1 3.26Å; R226-E228 IonicContact NH2-OE1 3.82Å; R226-E228 PolarHBondContact NH2-OE1 2.83Å; R226-K252 HydrophobicContact CG-CB 4.45Å; R226-K252 PolarHBondContact N-O 2.83Å; R226-K252 PolarHBondContact O-N 3.43Å; R226-V254 HydrophobicContact CB-CG2 4.22Å; R226-V254 HydrophobicContact CG-CG2 4.48Å; R226-N257 PolarHBondContact NH2-OD1 3.08Å
227L97Very high93Very high1 Ų163.4 Ų63.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-98.6135.7175.2-53.3-178.5000109.7I158 Y160 G161 F164 V243 L249 L250 I251 L298I158-L227 HydrophobicContact CG2-CD1 4.21Å; Y160-L227 WeakPolarHBondContact CA-O 3.22Å; Y160-L227 HydrophobicContact CD1-CB 4.09Å; Y160-L227 HydrophobicContact CE1-CB 4.41Å; G161-L227 PolarHBondContact N-O 3.21Å; F164-L227 HydrophobicContact CE1-CD1 4.38Å; F164-L227 HydrophobicContact CE1-CD2 3.76Å; F164-L227 HydrophobicContact CE1-CG 3.62Å; F164-L227 HydrophobicContact CZ-CD2 3.64Å; F164-L227 HydrophobicContact CZ-CG 4.01Å; L227-V243 HydrophobicContact CD1-CB 4.32Å; L227-V243 HydrophobicContact CD1-CG1 4Å; L227-V243 HydrophobicContact CD1-CG2 4.01Å; L227-L249 HydrophobicContact CB-CD2 4.39Å; L227-L249 HydrophobicContact CD1-CD2 3.99Å; L227-L249 HydrophobicContact CD2-CD1 4.09Å; L227-L249 HydrophobicContact CD2-CD2 4.32Å; L227-L249 HydrophobicContact CG-CD2 4.43Å; L227-L250 WeakPolarHBondContact CA-O 3.39Å; L227-I251 HydrophobicContact CD2-CG1 3.94Å; L227-L298 HydrophobicContact CD1-CD1 3.55Å; L227-L298 HydrophobicContact CD2-CD1 3.87Å; L227-L298 HydrophobicContact CG-CD1 4.39Å
228E96.6Very high93.4Very high21 Ų2165.2 Ų65.210%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-125.4152.4171.1-78.2176.4-151.200110.3R226 L249 L250 K252R226-E228 IonicContact CZ-OE1 2.88Å; R226-E228 IonicContact NE-OE1 3.35Å; R226-E228 PolarHBondContact NE-OE1 3.26Å; R226-E228 IonicContact NH2-OE1 3.82Å; R226-E228 PolarHBondContact NH2-OE1 2.83Å; E228-L249 WeakPolarHBondContact O-CA 3.17Å; E228-L249 VanDerWaalsContact O-CB 3.32Å; E228-L249 WeakPolarHBondContact O-CB 3.39Å; E228-L250 HydrophobicContact CB-CB 4.32Å; E228-L250 PolarHBondContact N-O 3.43Å; E228-L250 PolarHBondContact O-N 3.39Å; E228-K252 WeakPolarHBondContact OE2-CD 3.38Å; E228-K252 WeakPolarHBondContact OE2-CE 3.42Å; E228-K252 IonicContact OE2-NZ 2.68Å; E228-K252 PolarHBondContact OE2-NZ 2.77Å
229H95.5Very high93.8Very high16 Ų1660.1 Ų60.17%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-65.3146.9176.8-165.4-94.6000111.7Y160 D231 R235 F238 Q247Y160-H229 HydrophobicContact CE1-CB 4.5Å; H229-D231 PolarHBondContact ND1-N 3Å; H229-R235 HydrophobicContact CB-CG 4.06Å; H229-R235 PolarHBondContact O-NE 3.44Å; H229-F238 HydrophobicContact CB-CB 4.3Å; H229-F238 AromaticContact CD2-CD1 3.87Å; H229-F238 AromaticContact CD2-CG 3.93Å; H229-Q247 PolarHBondContact CD2-NE2 3.33Å; H229-Q247 PolarHBondContact NE2-NE2 2.97Å
230E93.5Very high94Very high71 Ų7159 Ų5933%0.33228%0.28SS..SBendtrans-61.8-49-177.470.5175.615400112P232 R235 K248E230-P232 WeakPolarHBondContact O-CD 3.17Å; E230-R235 PolarHBondContact O-NH2 2.95Å; E230-K248 HydrophobicContact CB-CB 4.37Å; E230-K248 HydrophobicContact CG-CB 4.24Å; E230-K248 VanDerWaalsContact OE2-CB 3.25Å; E230-K248 WeakPolarHBondContact OE2-CB 3.43Å; E230-K248 WeakPolarHBondContact OE2-CD 3.25Å
231D92.2Very high94.2Very high58 Ų5863.7 Ų63.731%0.3129%0.291SS..SBendtrans-72.5120.7175.5177.53000111.3H229 H233 L234 R235H229-D231 PolarHBondContact ND1-N 3Å; D231-H233 PolarHBondContact O-N 2.99Å; D231-H233 WeakPolarHBondContact OD1-CB 3.4Å; D231-H233 IonicContact OD1-CD2 3.28Å; D231-H233 PolarHBondContact OD1-CD2 2.75Å; D231-H233 IonicContact OD1-CG 3.93Å; D231-H233 PolarHBondContact OD1-N 2.87Å; D231-L234 HydrophobicContact CB-CB 4.43Å; D231-L234 HydrophobicContact CB-CD1 4.25Å; D231-L234 HydrophobicContact CB-CG 4.45Å; D231-L234 PolarHBondContact O-N 2.87Å; D231-R235 WeakPolarHBondContact O-CG 3.35Å
232P91.7Very high94.3Very high44 Ų4461 Ų6129%0.28628%0.284SS..G310 helixtrans-54.5-34.2173.9-22.932000114.8E230 L234 R235 L289E230-P232 WeakPolarHBondContact O-CD 3.17Å; P232-L234 PolarHBondContact O-N 2.61Å; P232-R235 PolarHBondContact O-N 3.3Å; P232-L289 HydrophobicContact CG-CD2 3.77Å
233H91.1Very high94.3Very high146 Ų14660.1 Ų60.168%0.67628%0.279SS*.G310 helixtrans-73.5-12.1-175.3-64.5-80.6000113.8D231 E237D231-H233 PolarHBondContact O-N 2.99Å; D231-H233 WeakPolarHBondContact OD1-CB 3.4Å; D231-H233 IonicContact OD1-CD2 3.28Å; D231-H233 PolarHBondContact OD1-CD2 2.75Å; D231-H233 IonicContact OD1-CG 3.93Å; D231-H233 PolarHBondContact OD1-N 2.87Å; H233-E237 VanDerWaalsContact O-OE2 3.07Å
234L93.2Very high94.3Very high62 Ų6265.1 Ų65.133%0.32530%0.301SS..G310 helixtrans-110.3-0.9179.8-67.9175.4000113.2D231 P232 R236 E237 F238D231-L234 HydrophobicContact CB-CB 4.43Å; D231-L234 HydrophobicContact CB-CD1 4.25Å; D231-L234 HydrophobicContact CB-CG 4.45Å; D231-L234 PolarHBondContact O-N 2.87Å; P232-L234 PolarHBondContact O-N 2.61Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.91Å; L234-E237 VanDerWaalsContact CA-OE2 3.24Å; L234-E237 WeakPolarHBondContact CA-OE2 3.44Å; L234-E237 PolarHBondContact O-N 3.01Å; L234-F238 HydrophobicContact CB-CD2 3.96Å; L234-F238 HydrophobicContact CB-CE2 4.19Å; L234-F238 HydrophobicContact CD1-CE2 4.34Å; L234-F238 WeakPolarHBondContact O-CB 3.49Å; L234-F238 WeakPolarHBondContact O-CD2 3.19Å; L234-F238 PolarHBondContact O-N 3.2Å
235R93.6Very high94Very high41 Ų4164.9 Ų64.916%0.15530%0.303CS..Hα-helixtrans-66.3-32.6-173.8-69.7179.7-168.8150.512.7113.3H229 E230 D231 P232 E239 L250 E290H229-R235 HydrophobicContact CB-CG 4.06Å; H229-R235 PolarHBondContact O-NE 3.44Å; E230-R235 PolarHBondContact O-NH2 2.95Å; D231-R235 WeakPolarHBondContact O-CG 3.35Å; P232-R235 PolarHBondContact O-N 3.3Å; R235-E239 PolarHBondContact O-N 3.24Å; R235-E239 VanDerWaalsContact O-N 3.14Å; R235-L250 VanDerWaalsContact NH2-CD1 3.26Å; R235-E290 IonicContact CZ-OE1 2.66Å; R235-E290 IonicContact CZ-OE2 3.05Å; R235-E290 VanDerWaalsContact CZ-OE2 3.3Å; R235-E290 VanDerWaalsContact NH1-CD 3.29Å; R235-E290 IonicContact NH1-OE1 3.91Å; R235-E290 PolarHBondContact NH1-OE1 2.84Å; R235-E290 IonicContact NH1-OE2 2.83Å; R235-E290 PolarHBondContact NH1-OE2 2.85Å; R235-E290 VanDerWaalsContact NH2-CD 3.31Å; R235-E290 IonicContact NH2-OE1 3.34Å; R235-E290 IonicContact NH2-OE2 2.76Å; R235-E290 PolarHBondContact NH2-OE2 2.84Å
236R92.8Very high93.7Very high224 Ų22468.9 Ų68.985%0.84532%0.324SS*.Hα-helixtrans-77.2-31.6179.4-66.3177.9173-176-2.2111.7L234L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.91Å
237E94.8Very high93.5Very high92 Ų9268 Ų6843%0.4332%0.323SS..Hα-helixtrans-78.1-31.5-176.3-63.362.1-143.400110.6H233 L234 R241H233-E237 VanDerWaalsContact O-OE2 3.07Å; L234-E237 VanDerWaalsContact CA-OE2 3.24Å; L234-E237 WeakPolarHBondContact CA-OE2 3.44Å; L234-E237 PolarHBondContact O-N 3.01Å; E237-R241 PolarHBondContact O-NE 2.7Å; E237-R241 PolarHBondContact O-NH2 2.94Å
238F93.6Very high93.4Very high58 Ų5872.2 Ų72.225%0.25434%0.341SS..Hα-helixtrans-92.9-13.2175.6-83.5-104.1000114.5Y160 H229 L234 G240 R241Y160-F238 WeakPolarHBondContact CB-O 3.27Å; Y160-F238 HydrophobicContact CD2-CB 4.03Å; Y160-F238 HydrophobicContact CD2-CD1 4.1Å; Y160-F238 HydrophobicContact CE2-CB 4.38Å; Y160-F238 AromaticContact CE2-CD1 3.71Å; Y160-F238 HydrophobicContact CE2-CD1 3.71Å; Y160-F238 HydrophobicContact CG-CB 4.45Å; H229-F238 HydrophobicContact CB-CB 4.3Å; H229-F238 AromaticContact CD2-CD1 3.87Å; H229-F238 AromaticContact CD2-CG 3.93Å; L234-F238 HydrophobicContact CB-CD2 3.96Å; L234-F238 HydrophobicContact CB-CE2 4.19Å; L234-F238 HydrophobicContact CD1-CE2 4.34Å; L234-F238 WeakPolarHBondContact O-CB 3.49Å; L234-F238 WeakPolarHBondContact O-CD2 3.19Å; L234-F238 PolarHBondContact O-N 3.2Å; F238-G240 PolarHBondContact O-N 2.96Å; F238-R241 WeakPolarHBondContact O-CB 3.11Å; F238-R241 WeakPolarHBondContact O-CG 3.42Å; F238-R241 PolarHBondContact O-N 2.97Å
239E94.1Very high93.4Very high110 Ų11071.2 Ų71.251%0.51434%0.337SS..THydrogen-bonded Turntrans-52.5131177.6-172.169.7167.300111.2G161 R235 R241G161-E239 WeakPolarHBondContact CA-OE1 3.3Å; G161-E239 VanDerWaalsContact CA-OE2 3.3Å; G161-E239 WeakPolarHBondContact CA-OE2 3.4Å; G161-E239 PolarHBondContact N-OE2 3.24Å; R235-E239 PolarHBondContact O-N 3.24Å; R235-E239 VanDerWaalsContact O-N 3.14Å; E239-R241 PolarHBondContact O-N 2.97Å; E239-R241 VanDerWaalsContact O-N 3.12Å
240G94Very high93.5Very high32 Ų3270.5 Ų70.533%0.3333%0.333SS..THydrogen-bonded Turntrans69.8-2.8-175.100000115.9R159 Y160 F238R159-G240 VanDerWaalsContact CD-O 3.22Å; R159-G240 WeakPolarHBondContact CD-O 3.35Å; R159-G240 WeakPolarHBondContact CG-O 3.29Å; R159-G240 PolarHBondContact NH1-O 2.94Å; Y160-G240 PolarHBondContact O-N 2.99Å; F238-G240 PolarHBondContact O-N 2.96Å
241R95.1Very high93.7Very high144 Ų14467.1 Ų67.154%0.54332%0.317SS..SBendtrans-76.2150.1172.8-64.2-162.5-171.6-123.6-0.3111.6R159 Y160 E237 F238 E239R159-R241 CarbonylContact C-O 3.53Å; R159-R241 WeakPolarHBondContact CA-O 3.31Å; Y160-R241 HydrophobicContact CD2-CB 4.48Å; Y160-R241 PolarHBondContact N-O 2.96Å; E237-R241 PolarHBondContact O-NE 2.7Å; E237-R241 PolarHBondContact O-NH2 2.94Å; F238-R241 WeakPolarHBondContact O-CB 3.11Å; F238-R241 WeakPolarHBondContact O-CG 3.42Å; F238-R241 PolarHBondContact O-N 2.97Å; E239-R241 PolarHBondContact O-N 2.97Å; E239-R241 VanDerWaalsContact O-N 3.12Å
242P94.6Very high93.9Very high47 Ų4764.9 Ų64.931%0.30531%0.305SS..BIsolated β-bridgetrans-65.1138.3177.128.9-36.9000112Y65 V157 I158Y65-P242 HydrophobicContact CD1-CB 3.74Å; Y65-P242 HydrophobicContact CD1-CG 4.16Å; Y65-P242 HydrophobicContact CE1-CB 3.9Å; Y65-P242 HydrophobicContact CE1-CG 3.78Å; Y65-P242 HydrophobicContact CG-CB 4.43Å; V157-P242 HydrophobicContact CG1-CB 3.38Å; I158-P242 WeakPolarHBondContact O-CA 3.43Å
243V94.3Very high94.1Very high0 Ų062.9 Ų62.90%029%0.292CS..PPolyproline II helixtrans-89.2129-178.9-168.90000110.8L66 I158 Y160 L227 L249L66-V243 HydrophobicContact CD1-CB 4.28Å; L66-V243 HydrophobicContact CD1-CG1 3.85Å; L66-V243 PolarHBondContact N-O 3.45Å; I158-V243 PolarHBondContact O-N 3.49Å; Y160-V243 HydrophobicContact CD1-CG2 4.09Å; Y160-V243 HydrophobicContact CD2-CG2 3.76Å; Y160-V243 HydrophobicContact CE1-CG1 4.25Å; Y160-V243 HydrophobicContact CE1-CG2 4.15Å; Y160-V243 HydrophobicContact CE2-CB 4.29Å; Y160-V243 HydrophobicContact CE2-CG1 4.27Å; Y160-V243 HydrophobicContact CE2-CG2 3.8Å; Y160-V243 HydrophobicContact CG-CG2 3.91Å; L227-V243 HydrophobicContact CD1-CB 4.32Å; L227-V243 HydrophobicContact CD1-CG1 4Å; L227-V243 HydrophobicContact CD1-CG2 4.01Å; V243-L249 HydrophobicContact CG1-CD2 3.74Å
244K92.7Very high94.3Very high106 Ų10657.6 Ų57.646%0.46127%0.27SS..BIsolated β-bridgetrans-81151174.8-66.2-176.5177.3-175.70111.4G64 Y65 Q247G64-K244 CarbonylContact O-C 3.58Å; G64-K244 WeakPolarHBondContact O-CA 3.49Å; Y65-K244 HydrophobicContact CD1-CG 3.9Å; Y65-K244 HydrophobicContact CE1-CG 3.6Å; K244-Q247 HydrophobicContact CB-CB 4.26Å
245S90Very high94.3Very high25 Ų2560.5 Ų60.518%0.17528%0.276CS..THydrogen-bonded Turntrans-65.3154.5166.173.90000110.5G64 Q247 L298G64-S245 PolarHBondContact O-N 3.49Å; S245-Q247 PolarHBondContact O-N 3.41Å; S245-L298 WeakPolarHBondContact CA-O 3.47Å
246D90.7Very high94.2Very high84 Ų8459.8 Ų59.845%0.44928%0.277SS..THydrogen-bonded Turntrans62.1-0.2173.5-49-77.5000115.4L298 A299D246-L298 PolarHBondContact N-O 2.73Å; D246-A299 VanDerWaalsContact OD1-CA 3.25Å; D246-A299 WeakPolarHBondContact OD1-CA 3.37Å; D246-A299 WeakPolarHBondContact OD1-CB 3.03Å
247Q92.5Very high94.2Very high45 Ų4553.5 Ų53.521%0.2126%0.261CS..  trans-73.3138.6170.4-176.1170-8.200110.4Y160 H229 K244 S245Y160-Q247 VanDerWaalsContact OH-CD 3.32Å; Y160-Q247 PolarHBondContact OH-NE2 2.81Å; H229-Q247 PolarHBondContact CD2-NE2 3.33Å; H229-Q247 PolarHBondContact NE2-NE2 2.97Å; K244-Q247 HydrophobicContact CB-CB 4.26Å; S245-Q247 PolarHBondContact O-N 3.41Å
248K95.1Very high94.2Very high91 Ų9151.6 Ų51.640%0.39625%0.251SS..EExtended strand (participates in β ladder)trans-70.2136.1172.4-65.9177.8-171.3171.10111.2E230 V295 W296 M297E230-K248 HydrophobicContact CB-CB 4.37Å; E230-K248 HydrophobicContact CG-CB 4.24Å; E230-K248 VanDerWaalsContact OE2-CB 3.25Å; E230-K248 WeakPolarHBondContact OE2-CB 3.43Å; E230-K248 WeakPolarHBondContact OE2-CD 3.25Å; K248-V295 HydrophobicContact CB-CG1 3.82Å; K248-V295 HydrophobicContact CD-CG1 4.12Å; K248-V295 HydrophobicContact CG-CG1 4.04Å; K248-W296 CarbonylContact C-O 3.6Å; K248-W296 WeakPolarHBondContact CA-O 3.32Å; K248-M297 HydrophobicContact CG-CG 3.86Å; K248-M297 HydrophobicContact CG-SD 3.97Å
249L96.6Very high94.3Very high0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-156.1168.9-174.952.471.5000111.3Y160 L227 E228 V243 I251 W296 L298Y160-L249 HydrophobicContact CE1-CB 4.29Å; L227-L249 HydrophobicContact CB-CD2 4.39Å; L227-L249 HydrophobicContact CD1-CD2 3.99Å; L227-L249 HydrophobicContact CD2-CD1 4.09Å; L227-L249 HydrophobicContact CD2-CD2 4.32Å; L227-L249 HydrophobicContact CG-CD2 4.43Å; E228-L249 WeakPolarHBondContact O-CA 3.17Å; E228-L249 VanDerWaalsContact O-CB 3.32Å; E228-L249 WeakPolarHBondContact O-CB 3.39Å; V243-L249 HydrophobicContact CG1-CD2 3.74Å; L249-I251 HydrophobicContact CD1-CD1 4.3Å; L249-I251 HydrophobicContact CD1-CG1 3.64Å; L249-W296 HydrophobicContact CD1-CB 4.31Å; L249-W296 PolarHBondContact N-O 2.94Å; L249-W296 PolarHBondContact O-N 3.3Å; L249-W296 VanDerWaalsContact O-O 3.13Å; L249-L298 HydrophobicContact CD1-CG 4.29Å; L249-L298 HydrophobicContact CD2-CD1 4.12Å; L249-L298 HydrophobicContact CD2-CG 4.17Å
250L97.2Very high94.4Very high0 Ų043.6 Ų43.60%021%0.214CC..EExtended strand (participates in β ladder)trans-100.3136.9167.4-55.8-176000109.6L227 E228 R235 K252 E290 N294 V295L227-L250 WeakPolarHBondContact CA-O 3.39Å; E228-L250 HydrophobicContact CB-CB 4.32Å; E228-L250 PolarHBondContact N-O 3.43Å; E228-L250 PolarHBondContact O-N 3.39Å; R235-L250 VanDerWaalsContact NH2-CD1 3.26Å; L250-K252 HydrophobicContact CB-CG 4.43Å; L250-E290 HydrophobicContact CD1-CB 3.94Å; L250-E290 HydrophobicContact CD1-CG 3.66Å; L250-E290 VanDerWaalsContact CD1-OE1 3.24Å; L250-E290 WeakPolarHBondContact CD1-OE1 3.46Å; L250-E290 HydrophobicContact CD2-CB 4.07Å; L250-N294 HydrophobicContact CD2-CB 4.2Å; L250-N294 WeakPolarHBondContact CD2-O 3.47Å; L250-V295 HydrophobicContact CD2-CG2 4.34Å
251I97.6Very high94.5Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-101.7112.4171.1-64.1172.5000106.4I74 F166 W225 L227 L249 A259 L260 W296 L298I74-I251 HydrophobicContact CG2-CD1 3.53Å; F166-I251 HydrophobicContact CE2-CD1 4.3Å; F166-I251 HydrophobicContact CE2-CG2 3.84Å; F166-I251 HydrophobicContact CZ-CD1 4.09Å; F166-I251 HydrophobicContact CZ-CG2 4.47Å; W225-I251 HydrophobicContact CD2-CG2 4.2Å; W225-I251 HydrophobicContact CE3-CG2 3.57Å; W225-I251 HydrophobicContact CZ3-CG2 4.18Å; L227-I251 HydrophobicContact CD2-CG1 3.94Å; L249-I251 HydrophobicContact CD1-CD1 4.3Å; L249-I251 HydrophobicContact CD1-CG1 3.64Å; I251-A259 CarbonylContact O-C 3.59Å; I251-A259 WeakPolarHBondContact O-CA 3.35Å; I251-L260 HydrophobicContact CB-CB 4.13Å; I251-L260 HydrophobicContact CB-CD2 4.26Å; I251-L260 HydrophobicContact CD1-CD2 4.08Å; I251-L260 HydrophobicContact CG2-CB 4.18Å; I251-L260 HydrophobicContact CG2-CD2 4.17Å; I251-L260 PolarHBondContact O-N 2.88Å; I251-W296 HydrophobicContact CD1-CB 3.68Å; I251-W296 HydrophobicContact CD1-CG 3.91Å; I251-W296 HydrophobicContact CG1-CB 4.15Å; I251-W296 HydrophobicContact CG1-CG 4.42Å; I251-L298 HydrophobicContact CD1-CD2 3.92Å
252K96.7Very high94.5Very high12 Ų1235.2 Ų35.25%0.05217%0.173CC..EExtended strand (participates in β ladder)trans-114.4135.1-178.8-65-166.6-177.5164.10111.7W225 R226 E228 L250 K258 A259 E290W225-K252 WeakPolarHBondContact CA-O 3.46Å; R226-K252 HydrophobicContact CG-CB 4.45Å; R226-K252 PolarHBondContact N-O 2.83Å; R226-K252 PolarHBondContact O-N 3.43Å; E228-K252 WeakPolarHBondContact OE2-CD 3.38Å; E228-K252 WeakPolarHBondContact OE2-CE 3.42Å; E228-K252 IonicContact OE2-NZ 2.68Å; E228-K252 PolarHBondContact OE2-NZ 2.77Å; L250-K252 HydrophobicContact CB-CG 4.43Å; K252-K258 WeakPolarHBondContact CA-O 3.4Å; K252-A259 HydrophobicContact CG-CB 4.07Å; K252-E290 IonicContact NZ-OE1 3.21Å; K252-E290 PolarHBondContact NZ-OE1 3.42Å
253H96.1Very high94.4Very high1 Ų133.9 Ų33.91%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-72126.1174.6177-139.7000109.3S195 L222 Q224 W225 R255 S256 N257 K258 V280S195-H253 PolarHBondContact O-CE1 2.79Å; S195-H253 PolarHBondContact O-NE2 2.84Å; L222-H253 PolarHBondContact O-NE2 3.35Å; Q224-H253 PolarHBondContact O-CD2 2.99Å; Q224-H253 VanDerWaalsContact O-CD2 3.29Å; W225-H253 HydrophobicContact CE3-CB 4Å; W225-H253 HydrophobicContact CH2-CB 4.01Å; W225-H253 HydrophobicContact CZ3-CB 3.63Å; H253-R255 PolarHBondContact O-N 2.58Å; H253-S256 PolarHBondContact ND1-OG 3.05Å; H253-N257 WeakPolarHBondContact O-CA 3.49Å; H253-N257 PolarHBondContact O-N 2.94Å; H253-K258 PolarHBondContact N-O 2.81Å; H253-V280 HydrophobicContact CB-CG1 3.95Å
254V94.7Very high94.1Very high35 Ų3536.1 Ų36.121%0.21218%0.177CC..THydrogen-bonded Turntrans-64.4-41.4-170.2171.70000111.7P163 F221 Q224 R226P163-V254 HydrophobicContact CB-CG2 4.2Å; F221-V254 HydrophobicContact CE2-CG1 4.12Å; F221-V254 HydrophobicContact CZ-CG1 4.19Å; Q224-V254 HydrophobicContact CB-CB 3.92Å; Q224-V254 HydrophobicContact CB-CG2 4Å; Q224-V254 WeakPolarHBondContact O-CB 3.42Å; Q224-V254 WeakPolarHBondContact O-CG2 3.39Å; Q224-V254 PolarHBondContact O-N 2.9Å; R226-V254 HydrophobicContact CB-CG2 4.22Å; R226-V254 HydrophobicContact CG-CG2 4.48Å
255R92.7Very high93.9Very high124 Ų12437.6 Ų37.647%0.46819%0.19SC..THydrogen-bonded Turntrans-70.1-40.4-178.4-178.6178.3-179.5168.5-9113.6D196 F221 L222 H253D196-R255 IonicContact OD1-CZ 2.97Å; F221-R255 HydrophobicContact CD1-CB 4Å; F221-R255 HydrophobicContact CD1-CG 4.1Å; F221-R255 HydrophobicContact CE1-CB 3.61Å; F221-R255 HydrophobicContact CE1-CG 3.75Å; F221-R255 HydrophobicContact CZ-CB 4.31Å; L222-R255 VanDerWaalsContact CD2-CD 3.5Å; H253-R255 PolarHBondContact O-N 2.58Å
256S92Very high93.8Very high25 Ų2540.1 Ų40.118%0.17520%0.198CC..THydrogen-bonded Turntrans-101.5-7.4-174.668.70000114.8Q210 H253 K258Q210-S256 PolarHBondContact OE1-OG 3.48Å; H253-S256 PolarHBondContact ND1-OG 3.05Å; S256-K258 PolarHBondContact O-N 3.12Å
257N93.9Very high93.8Very high92 Ų9239.1 Ų39.149%0.49220%0.195SC..  trans54.819.5-178.4-162.637.4000114.4R226 H253R226-N257 PolarHBondContact NH2-OD1 3.08Å; H253-N257 WeakPolarHBondContact O-CA 3.49Å; H253-N257 PolarHBondContact O-N 2.94Å
258K94.4Very high93.5Very high53 Ų5338.6 Ų38.623%0.2320%0.198CC..PPolyproline II helixtrans-97.1148.2176.9-73.1-175-174.3175.60110.5G208 K252 H253 S256 V280 T282G208-K258 PolarHBondContact O-NZ 2.76Å; K252-K258 WeakPolarHBondContact CA-O 3.4Å; H253-K258 PolarHBondContact N-O 2.81Å; S256-K258 PolarHBondContact O-N 3.12Å; K258-V280 HydrophobicContact CB-CG1 3.57Å; K258-V280 WeakPolarHBondContact CD-O 3.36Å; K258-T282 WeakPolarHBondContact CA-OG1 3.46Å
259A95.4Very high93.3Very high0 Ų043.6 Ų43.60%022%0.215CC..BIsolated β-bridgetrans-8014517500000112.5I251 K252 V280 R281 T282 N294I251-A259 CarbonylContact O-C 3.59Å; I251-A259 WeakPolarHBondContact O-CA 3.35Å; K252-A259 HydrophobicContact CG-CB 4.07Å; A259-V280 CarbonylContact O-C 3.44Å; A259-R281 CarbonylContact O-C 3.57Å; A259-R281 PolarHBondContact O-N 3.28Å; A259-T282 HydrophobicContact CB-CG2 4.25Å; A259-T282 PolarHBondContact N-OG1 2.85Å; A259-N294 HydrophobicContact CB-CB 4.06Å; A259-N294 WeakPolarHBondContact CB-ND2 3.39Å
260L96.4Very high92.9Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-58.8135163.4176.466.9000109.6I74 L97 L212 W225 I251 S279 N294 W296I74-L260 HydrophobicContact CG2-CD2 4.38Å; L97-L260 HydrophobicContact CD1-CD1 4.15Å; L97-L260 HydrophobicContact CD1-CD2 3.67Å; L212-L260 HydrophobicContact CD1-CD1 3.54Å; L212-L260 HydrophobicContact CD2-CD1 4.16Å; W225-L260 HydrophobicContact CZ3-CB 4.38Å; I251-L260 HydrophobicContact CB-CB 4.13Å; I251-L260 HydrophobicContact CB-CD2 4.26Å; I251-L260 HydrophobicContact CD1-CD2 4.08Å; I251-L260 HydrophobicContact CG2-CB 4.18Å; I251-L260 HydrophobicContact CG2-CD2 4.17Å; I251-L260 PolarHBondContact O-N 2.88Å; L260-S279 CarbonylContact C-O 3.56Å; L260-N294 WeakPolarHBondContact O-CA 3.17Å; L260-N294 PolarHBondContact O-ND2 3.41Å; L260-W296 HydrophobicContact CD2-CD2 3.89Å; L260-W296 HydrophobicContact CD2-CE3 4.4Å; L260-W296 HydrophobicContact CD2-CG 4.31Å; L260-W296 HydrophobicContact CD2-CH2 4.37Å; L260-W296 HydrophobicContact CD2-CZ2 3.84Å; L260-W296 HydrophobicContact CG-CD2 4.47Å; L260-W296 HydrophobicContact CG-CZ2 3.72Å; L260-W296 PolarHBondContact O-NE1 3.45Å
261A95.3Very high92.4Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-131.1137.6-174.500000111.9L278 S279 R281 Y283 V293 N294A261-L278 WeakPolarHBondContact O-CA 3.42Å; A261-L278 WeakPolarHBondContact O-CD2 3.42Å; A261-S279 PolarHBondContact N-O 2.91Å; A261-S279 PolarHBondContact O-N 2.76Å; A261-R281 WeakPolarHBondContact CB-O 3.47Å; A261-Y283 HydrophobicContact CB-CD2 4.05Å; A261-Y283 HydrophobicContact CB-CE2 3.93Å; A261-V293 CarbonylContact C-O 3.59Å; A261-V293 WeakPolarHBondContact CA-O 3.47Å; A261-N294 WeakPolarHBondContact CB-ND2 3.34Å
262L94.7Very high91.9Very high0 Ų047.7 Ų47.70%024%0.235CC..EExtended strand (participates in β ladder)trans-79.6131.4162.3-175.967.2000109.5N76 H95 A132 P264 T276 L278 V293 W296N76-L262 HydrophobicContact CB-CD2 4.11Å; N76-L262 VanDerWaalsContact OD1-CD2 3.31Å; N76-L262 WeakPolarHBondContact OD1-CD2 3.48Å; H95-L262 HydrophobicContact CB-CD1 4.29Å; H95-L262 HydrophobicContact CB-CD2 4.47Å; A132-L262 HydrophobicContact CB-CD1 3.23Å; L262-P264 VanDerWaalsContact C-CD 3.44Å; L262-P264 WeakPolarHBondContact O-CD 3.32Å; L262-T276 HydrophobicContact CD1-CG2 3.5Å; L262-T276 VanDerWaalsContact CD1-CG2 3.5Å; L262-T276 HydrophobicContact CG-CG2 4.09Å; L262-L278 HydrophobicContact CB-CD2 4.49Å; L262-L278 HydrophobicContact CD1-CD2 3.81Å; L262-V293 HydrophobicContact CB-CB 4.43Å; L262-V293 PolarHBondContact N-O 2.74Å; L262-V293 WeakPolarHBondContact O-CB 3.44Å; L262-V293 WeakPolarHBondContact O-CG1 3.35Å; L262-W296 HydrophobicContact CB-CH2 4.47Å; L262-W296 HydrophobicContact CB-CZ2 4.3Å
263E92.5Very high91.6Very high18 Ų1848.7 Ų48.78%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-107.473.1178.9-65.3-71-179.700110.4N265 F266 T276 C277 S279 Y283E263-N265 PolarHBondContact O-N 2.95Å; E263-F266 HydrophobicContact CB-CB 4.26Å; E263-F266 HydrophobicContact CB-CD2 4.14Å; E263-F266 PolarHBondContact O-N 2.83Å; E263-F266 VanDerWaalsContact O-O 3.05Å; E263-T276 VanDerWaalsContact O-CG2 3.3Å; E263-T276 WeakPolarHBondContact O-CG2 3.33Å; E263-C277 HydrophobicContact CB-CB 4.2Å; E263-C277 WeakPolarHBondContact CB-O 3.48Å; E263-C277 PolarHBondContact N-O 3.32Å; E263-S279 WeakPolarHBondContact OE1-CB 3.48Å; E263-S279 PolarHBondContact OE1-OG 2.71Å; E263-Y283 WeakPolarHBondContact OE1-CE2 3.34Å; E263-Y283 PolarHBondContact OE1-OH 2.8Å; E263-Y283 PolarHBondContact OE2-OH 3.01Å
264P89.6Confident91.3Very high47 Ų4754.9 Ų54.931%0.30528%0.278SS..EExtended strand (participates in β ladder)trans-61.2-19.1-168.526.3-36.9000114.9L262 F266 V293L262-P264 VanDerWaalsContact C-CD 3.44Å; L262-P264 WeakPolarHBondContact O-CD 3.32Å; P264-F266 VanDerWaalsContact C-N 3.32Å; P264-V293 HydrophobicContact CG-CG1 4.22Å
265N87.7Confident91.2Very high137 Ų13753.4 Ų53.473%0.73327%0.269SS*.EExtended strand (participates in β ladder)trans-82.8-8177.1-62.6-10000113.2E263E263-N265 PolarHBondContact O-N 2.95Å
266F88.6Confident91.3Very high79 Ų7947.8 Ų47.835%0.34625%0.248SC..EExtended strand (participates in β ladder)trans-123.4126.2-175.5-63.4-89.7000109.6Q206 E263 P264 C277Q206-F266 HydrophobicContact CG-CE2 4.31Å; Q206-F266 HydrophobicContact CG-CZ 3.99Å; Q206-F266 VanDerWaalsContact NE2-CZ 3.33Å; E263-F266 HydrophobicContact CB-CB 4.26Å; E263-F266 HydrophobicContact CB-CD2 4.14Å; E263-F266 PolarHBondContact O-N 2.83Å; E263-F266 VanDerWaalsContact O-O 3.05Å; P264-F266 VanDerWaalsContact C-N 3.32Å; F266-C277 HydrophobicContact CB-CB 3.86Å; F266-C277 PolarHBondContact O-N 3.27Å
267T90.1Very high91.3Very high63 Ų6348.1 Ų48.139%0.38725%0.25SC..EExtended strand (participates in β ladder)trans-129.5129.7176.461.80000110.9Q274 E275T267-Q274 HydrophobicContact CG2-CG 4.29Å; T267-Q274 PolarHBondContact OG1-NE2 2.91Å; T267-E275 CarbonylContact C-O 3.35Å; T267-E275 WeakPolarHBondContact CA-O 3.49Å; T267-E275 WeakPolarHBondContact CB-O 3.44Å
268A86.9Confident91.3Very high34 Ų3444 Ų4428%0.28123%0.228SC..EExtended strand (participates in β ladder)trans-86.5153.3167.600000110.2T131 T270 E275T131-A268 HydrophobicContact CG2-CB 4.4Å; A268-T270 HydrophobicContact CB-CG2 4.22Å; A268-E275 PolarHBondContact N-O 2.65Å; A268-E275 PolarHBondContact O-N 3.3Å
269R89.6Confident91.2Very high196 Ų19641.6 Ų41.674%0.7422%0.217SC*.EExtended strand (participates in β ladder)trans-100.3112.6165.3-171.6-176.9178.1168.8-0.1107.7I103 G273I103-R269 HydrophobicContact CD1-CG 3.91Å; R269-G273 CarbonylContact C-O 3.51Å; R269-G273 WeakPolarHBondContact CA-O 3.42Å
270T89Confident91.1Very high8 Ų841.6 Ų41.65%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-109.4174.3-175.980.90000109.6I101 T131 A268 F272 G273 E275I101-T270 WeakPolarHBondContact O-CA 3.34Å; T131-T270 HydrophobicContact CG2-CG2 4.2Å; A268-T270 HydrophobicContact CB-CG2 4.22Å; T270-F272 PolarHBondContact O-N 3.49Å; T270-F272 VanDerWaalsContact O-N 3.08Å; T270-F272 PolarHBondContact OG1-N 2.81Å; T270-G273 PolarHBondContact N-O 2.85Å; T270-G273 PolarHBondContact O-N 3.43Å; T270-G273 VanDerWaalsContact O-N 3.15Å; T270-E275 HydrophobicContact CG2-CB 4.17Å; T270-E275 HydrophobicContact CG2-CG 4.23Å; T270-E275 WeakPolarHBondContact CG2-OE2 3.48Å; T270-E275 PolarHBondContact OG1-OE2 2.87Å
271L87Confident91Very high35 Ų3544.6 Ų44.618%0.18323%0.229CC..THydrogen-bonded Turntrans-55.4-21.9169.7-173.162.2000113.2L47 T48 I101 I103 L107L47-L271 HydrophobicContact CB-CD2 3.75Å; L47-L271 HydrophobicContact CD1-CD2 3.7Å; L47-L271 HydrophobicContact CG-CD2 4.41Å; T48-L271 HydrophobicContact CG2-CD1 3.69Å; T48-L271 HydrophobicContact CG2-CD2 4.34Å; T48-L271 HydrophobicContact CG2-CG 3.81Å; I101-L271 HydrophobicContact CB-CB 4.01Å; I101-L271 HydrophobicContact CB-CD2 4.12Å; I101-L271 HydrophobicContact CD1-CD2 4.11Å; I101-L271 HydrophobicContact CG2-CB 4.4Å; I101-L271 HydrophobicContact CG2-CD2 4.16Å; I101-L271 PolarHBondContact O-N 2.88Å; I103-L271 HydrophobicContact CG2-CB 3.94Å; I103-L271 HydrophobicContact CG2-CD1 4.09Å; L107-L271 HydrophobicContact CD1-CD1 4.09Å; L107-L271 HydrophobicContact CD1-CD2 4.34Å
272F87.7Confident90.9Very high42 Ų4245.7 Ų45.718%0.18424%0.235CC..THydrogen-bonded Turntrans-101.3-0.2-176.5-49.2-77.7000113.7I51 P52 L99 I101 K141 T270I51-F272 HydrophobicContact CB-CE1 4.08Å; I51-F272 HydrophobicContact CB-CZ 4.41Å; I51-F272 HydrophobicContact CG2-CE1 3.8Å; I51-F272 HydrophobicContact CG2-CZ 3.85Å; P52-F272 HydrophobicContact CG-CD1 4.28Å; L99-F272 VanDerWaalsContact O-CE2 3.32Å; L99-F272 WeakPolarHBondContact O-CE2 3.34Å; I101-F272 HydrophobicContact CB-CE2 4.33Å; I101-F272 HydrophobicContact CD1-CE2 4.46Å; I101-F272 HydrophobicContact CD1-CZ 4.24Å; I101-F272 HydrophobicContact CG1-CE2 4.19Å; I101-F272 HydrophobicContact CG1-CZ 4.47Å; K141-F272 HydrophobicContact CD-CB 4.28Å; K141-F272 HydrophobicContact CD-CD1 4.01Å; K141-F272 HydrophobicContact CD-CD2 4.13Å; K141-F272 HydrophobicContact CD-CE1 4.38Å; K141-F272 HydrophobicContact CD-CE2 4.47Å; K141-F272 HydrophobicContact CD-CG 3.86Å; T270-F272 PolarHBondContact O-N 3.49Å; T270-F272 VanDerWaalsContact O-N 3.08Å; T270-F272 PolarHBondContact OG1-N 2.81Å
273G88.5Confident90.8Very high34 Ų3447.7 Ų47.735%0.35124%0.243SC..EExtended strand (participates in β ladder)trans125.4-150.8178.300000113.7R269 T270R269-G273 CarbonylContact C-O 3.51Å; R269-G273 WeakPolarHBondContact CA-O 3.42Å; T270-G273 PolarHBondContact N-O 2.85Å; T270-G273 PolarHBondContact O-N 3.43Å; T270-G273 VanDerWaalsContact O-N 3.15Å
274Q91.5Very high90.8Very high131 Ų13152.9 Ų52.961%0.61226%0.263SS*.EExtended strand (participates in β ladder)trans-96.4115.2174.8-174.3-178.89.900109.7T267T267-Q274 HydrophobicContact CG2-CG 4.29Å; T267-Q274 PolarHBondContact OG1-NE2 2.91Å
275E92.6Very high90.7Very high4 Ų451.8 Ų51.82%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-126.4149-170.6-54.9-165.9104.800110.6T131 S133 K141 T267 A268 T270T131-E275 HydrophobicContact CG2-CB 4.36Å; T131-E275 PolarHBondContact OG1-OE2 2.89Å; S133-E275 WeakPolarHBondContact CB-OE1 3.4Å; S133-E275 PolarHBondContact OG-OE1 2.91Å; K141-E275 WeakPolarHBondContact CE-OE1 3.43Å; K141-E275 IonicContact NZ-OE1 2.68Å; K141-E275 PolarHBondContact NZ-OE1 3.2Å; K141-E275 IonicContact NZ-OE2 2.79Å; K141-E275 PolarHBondContact NZ-OE2 3.47Å; T267-E275 CarbonylContact C-O 3.35Å; T267-E275 WeakPolarHBondContact CA-O 3.49Å; T267-E275 WeakPolarHBondContact CB-O 3.44Å; A268-E275 PolarHBondContact N-O 2.65Å; A268-E275 PolarHBondContact O-N 3.3Å; T270-E275 HydrophobicContact CG2-CB 4.17Å; T270-E275 HydrophobicContact CG2-CG 4.23Å; T270-E275 WeakPolarHBondContact CG2-OE2 3.48Å; T270-E275 PolarHBondContact OG1-OE2 2.87Å
276T93.3Very high90.8Very high5 Ų550 Ų503%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-80.3137-174.2-600000110.2H95 T131 A132 L262 E263H95-T276 PolarHBondContact NE2-OG1 3.03Å; T131-T276 WeakPolarHBondContact CB-O 3.25Å; A132-T276 PolarHBondContact N-O 3.28Å; A132-T276 PolarHBondContact O-N 2.82Å; L262-T276 HydrophobicContact CD1-CG2 3.5Å; L262-T276 VanDerWaalsContact CD1-CG2 3.5Å; L262-T276 HydrophobicContact CG-CG2 4.09Å; E263-T276 VanDerWaalsContact O-CG2 3.3Å; E263-T276 WeakPolarHBondContact O-CG2 3.33Å
277C92.6Very high90.6Very high32 Ų3252 Ų5222%0.21626%0.263CS..EExtended strand (participates in β ladder)trans-67.7157.6177.3-62.70000111.1E263 F266E263-C277 HydrophobicContact CB-CB 4.2Å; E263-C277 WeakPolarHBondContact CB-O 3.48Å; E263-C277 PolarHBondContact N-O 3.32Å; F266-C277 HydrophobicContact CB-CB 3.86Å; F266-C277 PolarHBondContact O-N 3.27Å
278L93.5Very high90.5Very high7 Ų757.2 Ų57.24%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-123.7153.4173.9-61.9177.4000109.3L97 V130 A132 L212 A261 L262 W296L97-L278 HydrophobicContact CB-CD1 4.3Å; L97-L278 HydrophobicContact CD1-CD1 3.75Å; L97-L278 HydrophobicContact CG-CD1 3.65Å; V130-L278 HydrophobicContact CG1-CD1 4.01Å; A132-L278 HydrophobicContact CB-CD2 3.64Å; A132-L278 HydrophobicContact CB-CG 4.17Å; L212-L278 HydrophobicContact CD1-CB 3.39Å; A261-L278 WeakPolarHBondContact O-CA 3.42Å; A261-L278 WeakPolarHBondContact O-CD2 3.42Å; L262-L278 HydrophobicContact CB-CD2 4.49Å; L262-L278 HydrophobicContact CD1-CD2 3.81Å; L278-W296 HydrophobicContact CD2-CH2 3.74Å; L278-W296 HydrophobicContact CD2-CZ2 4.12Å
279S92.9Very high90.6Very high1 Ų158.6 Ų58.61%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-141.7165.6171.682.50000111.6Q210 L260 A261 E263 R281Q210-S279 WeakPolarHBondContact O-CA 3.16Å; L260-S279 CarbonylContact C-O 3.56Å; A261-S279 PolarHBondContact N-O 2.91Å; A261-S279 PolarHBondContact O-N 2.76Å; E263-S279 WeakPolarHBondContact OE1-CB 3.48Å; E263-S279 PolarHBondContact OE1-OG 2.71Å; S279-R281 WeakPolarHBondContact OG-CB 3.3Å
280V94.1Very high90.8Very high0 Ų050.1 Ų50.10%025%0.251CS..EExtended strand (participates in β ladder)trans-102.388.7167.2170.10000108.6S195 Q210 L212 W225 H253 K258 A259S195-V280 WeakPolarHBondContact OG-CG2 3.24Å; Q210-V280 HydrophobicContact CB-CB 3.75Å; Q210-V280 HydrophobicContact CB-CG1 4.23Å; Q210-V280 WeakPolarHBondContact CB-O 3.48Å; Q210-V280 PolarHBondContact O-N 2.97Å; L212-V280 HydrophobicContact CD1-CG2 4.27Å; L212-V280 HydrophobicContact CD2-CG2 3.67Å; L212-V280 HydrophobicContact CG-CG2 3.94Å; W225-V280 HydrophobicContact CH2-CG2 3.61Å; W225-V280 HydrophobicContact CZ3-CG2 4.08Å; H253-V280 HydrophobicContact CB-CG1 3.95Å; K258-V280 HydrophobicContact CB-CG1 3.57Å; K258-V280 WeakPolarHBondContact CD-O 3.36Å; A259-V280 CarbonylContact O-C 3.44Å
281R92.6Very high91Very high64 Ų6452.3 Ų52.324%0.24226%0.259CS..  trans-151.3119.1-176.6-174.4171.4179.8-167.615111A259 A261 S279 Y283 N294A259-R281 CarbonylContact O-C 3.57Å; A259-R281 PolarHBondContact O-N 3.28Å; A261-R281 WeakPolarHBondContact CB-O 3.47Å; S279-R281 WeakPolarHBondContact OG-CB 3.3Å; R281-Y283 HydrophobicContact CB-CE2 4.12Å; R281-Y283 HydrophobicContact CG-CD2 4.38Å; R281-Y283 HydrophobicContact CG-CE1 4.45Å; R281-Y283 HydrophobicContact CG-CE2 4.06Å; R281-Y283 PolarHBondContact NH1-OH 2.99Å; R281-Y283 PolarHBondContact O-N 2.83Å; R281-N294 PolarHBondContact O-ND2 3.17Å
282T93.5Very high91.3Very high22 Ų2251 Ų5114%0.13525%0.252CS..  trans-75.6113.2170.8-41.10000109.8K258 A259 Y284 E290K258-T282 WeakPolarHBondContact CA-OG1 3.46Å; A259-T282 HydrophobicContact CB-CG2 4.25Å; A259-T282 PolarHBondContact N-OG1 2.85Å; T282-Y284 HydrophobicContact CG2-CD1 4.3Å; T282-Y284 HydrophobicContact CG2-CE1 3.63Å; T282-Y284 HydrophobicContact CG2-CE2 3.91Å; T282-Y284 VanDerWaalsContact CG2-CZ 3.42Å; T282-E290 HydrophobicContact CG2-CG 3.32Å
283Y92.6Very high91.7Very high42 Ų4249.4 Ų49.417%0.16525%0.245CC..  trans-94.6126.1170.8-70.2-82.1000109.5A261 E263 R281 E290 R291 V293 N294A261-Y283 HydrophobicContact CB-CD2 4.05Å; A261-Y283 HydrophobicContact CB-CE2 3.93Å; E263-Y283 WeakPolarHBondContact OE1-CE2 3.34Å; E263-Y283 PolarHBondContact OE1-OH 2.8Å; E263-Y283 PolarHBondContact OE2-OH 3.01Å; R281-Y283 HydrophobicContact CB-CE2 4.12Å; R281-Y283 HydrophobicContact CG-CD2 4.38Å; R281-Y283 HydrophobicContact CG-CE1 4.45Å; R281-Y283 HydrophobicContact CG-CE2 4.06Å; R281-Y283 PolarHBondContact NH1-OH 2.99Å; R281-Y283 PolarHBondContact O-N 2.83Å; Y283-E290 WeakPolarHBondContact O-CA 3.47Å; Y283-R291 PolarHBondContact O-N 3.33Å; Y283-V293 HydrophobicContact CD2-CG2 3.79Å; Y283-V293 HydrophobicContact CG-CG2 4.17Å; Y283-N294 WeakPolarHBondContact CB-OD1 3.18Å; Y283-N294 PolarHBondContact N-OD1 3.01Å; Y283-N294 PolarHBondContact O-OD1 3.33Å
284Y92.4Very high92Very high128 Ų12847.8 Ų47.850%0.50223%0.229SC..BIsolated β-bridgetrans-104.9156.4177.4-59.9-74.9000111.6T282 K288 L289 E290T282-Y284 HydrophobicContact CG2-CD1 4.3Å; T282-Y284 HydrophobicContact CG2-CE1 3.63Å; T282-Y284 HydrophobicContact CG2-CE2 3.91Å; T282-Y284 VanDerWaalsContact CG2-CZ 3.42Å; Y284-K288 WeakPolarHBondContact CD1-O 3.49Å; Y284-L289 CarbonylContact C-O 3.57Å; Y284-L289 VanDerWaalsContact CA-O 3.28Å; Y284-L289 WeakPolarHBondContact CA-O 3.32Å; Y284-E290 HydrophobicContact CD1-CG 4.26Å; Y284-E290 HydrophobicContact CE1-CG 3.93Å
285D88.5Confident92.3Very high23 Ų2342.2 Ų42.212%0.12320%0.204CC..  trans-92.9-172.4166.775.6-2.9000112.4Y83 H287 K288 L289 R291Y83-D285 HydrophobicContact CE1-CB 3.97Å; Y83-D285 PolarHBondContact OH-OD2 3.12Å; D285-H287 PolarHBondContact O-N 3.03Å; D285-H287 WeakPolarHBondContact OD1-CA 3.42Å; D285-H287 WeakPolarHBondContact OD1-CB 3.48Å; D285-H287 PolarHBondContact OD1-N 2.85Å; D285-H287 IonicContact OD2-CD2 3.74Å; D285-K288 PolarHBondContact O-N 3.17Å; D285-K288 VanDerWaalsContact O-N 3.16Å; D285-K288 PolarHBondContact OD1-N 3.46Å; D285-L289 PolarHBondContact N-O 3.14Å; D285-L289 PolarHBondContact OD1-N 2.9Å; D285-R291 HydrophobicContact CB-CG 4.3Å
286S88.4Confident92.5Very high99 Ų9942 Ų4269%0.69220%0.203SC*.THydrogen-bonded Turntrans-61.7-2117643.10000114.5
287H85.5Confident92.6Very high123 Ų12343.6 Ų43.657%0.56921%0.21SC*.THydrogen-bonded Turntrans-98.23.8-179.6-56.7-74.4000112.4D285 L289D285-H287 PolarHBondContact O-N 3.03Å; D285-H287 WeakPolarHBondContact OD1-CA 3.42Å; D285-H287 WeakPolarHBondContact OD1-CB 3.48Å; D285-H287 PolarHBondContact OD1-N 2.85Å; D285-H287 IonicContact OD2-CD2 3.74Å; H287-L289 HydrophobicContact CB-CD1 4.28Å; H287-L289 HydrophobicContact CB-CG 4.04Å; H287-L289 PolarHBondContact O-N 3.38Å
288K87Confident92.7Very high172 Ų17242.1 Ų42.175%0.74820%0.2SC*.SBendtrans65.222.8-174.2-52.7175-178172.40113.7Y284 D285Y284-K288 WeakPolarHBondContact CD1-O 3.49Å; D285-K288 PolarHBondContact O-N 3.17Å; D285-K288 VanDerWaalsContact O-N 3.16Å; D285-K288 PolarHBondContact OD1-N 3.46Å
289L89.4Confident92.4Very high63 Ų6341.9 Ų41.933%0.3320%0.199SC..PPolyproline II helixtrans-84.8143.2172.1-53.2179.4000109.7P232 Y284 D285 H287 R291P232-L289 HydrophobicContact CG-CD2 3.77Å; Y284-L289 CarbonylContact C-O 3.57Å; Y284-L289 VanDerWaalsContact CA-O 3.28Å; Y284-L289 WeakPolarHBondContact CA-O 3.32Å; D285-L289 PolarHBondContact N-O 3.14Å; D285-L289 PolarHBondContact OD1-N 2.9Å; H287-L289 HydrophobicContact CB-CD1 4.28Å; H287-L289 HydrophobicContact CB-CG 4.04Å; H287-L289 PolarHBondContact O-N 3.38Å; L289-R291 PolarHBondContact O-N 3.31Å
290E93.9Very high91.8Very high18 Ų1842.5 Ų42.58%0.08420%0.203CC..BIsolated β-bridgetrans-63.2133172.6-74.999.1145.700112R235 L250 K252 T282 Y283 Y284 N294R235-E290 IonicContact CZ-OE1 2.66Å; R235-E290 IonicContact CZ-OE2 3.05Å; R235-E290 VanDerWaalsContact CZ-OE2 3.3Å; R235-E290 VanDerWaalsContact NH1-CD 3.29Å; R235-E290 IonicContact NH1-OE1 3.91Å; R235-E290 PolarHBondContact NH1-OE1 2.84Å; R235-E290 IonicContact NH1-OE2 2.83Å; R235-E290 PolarHBondContact NH1-OE2 2.85Å; R235-E290 VanDerWaalsContact NH2-CD 3.31Å; R235-E290 IonicContact NH2-OE1 3.34Å; R235-E290 IonicContact NH2-OE2 2.76Å; R235-E290 PolarHBondContact NH2-OE2 2.84Å; L250-E290 HydrophobicContact CD1-CB 3.94Å; L250-E290 HydrophobicContact CD1-CG 3.66Å; L250-E290 VanDerWaalsContact CD1-OE1 3.24Å; L250-E290 WeakPolarHBondContact CD1-OE1 3.46Å; L250-E290 HydrophobicContact CD2-CB 4.07Å; K252-E290 IonicContact NZ-OE1 3.21Å; K252-E290 PolarHBondContact NZ-OE1 3.42Å; T282-E290 HydrophobicContact CG2-CG 3.32Å; Y283-E290 WeakPolarHBondContact O-CA 3.47Å; Y284-E290 HydrophobicContact CD1-CG 4.26Å; Y284-E290 HydrophobicContact CE1-CG 3.93Å; E290-N294 HydrophobicContact CB-CB 4.41Å
291R93.8Very high90.3Very high53 Ų5342.6 Ų42.620%0.221%0.205CC..PPolyproline II helixtrans-74.4162.9-175.8-73.7-17257.6177.5-2.4113.2Y83 L88 Y283 D285 L289 V293 N294Y83-R291 HydrophobicContact CE1-CG 4.27Å; Y83-R291 HydrophobicContact CE2-CB 4.46Å; L88-R291 PolarHBondContact O-NH2 2.82Å; Y283-R291 PolarHBondContact O-N 3.33Å; D285-R291 HydrophobicContact CB-CG 4.3Å; L289-R291 PolarHBondContact O-N 3.31Å; R291-V293 HydrophobicContact CB-CG2 3.89Å; R291-V293 PolarHBondContact O-N 3.04Å; R291-N294 PolarHBondContact O-N 3.42Å
292D93.9Very high88.5Confident8 Ų845.1 Ų45.14%0.04322%0.217CC..THydrogen-bonded Turntrans-57.8-19.8178.967.610.8000114.8N76 S79 S80 Y83 R92 N294N76-D292 PolarHBondContact ND2-O 2.72Å; S79-D292 WeakPolarHBondContact CA-OD2 3.45Å; S80-D292 PolarHBondContact N-OD2 3.42Å; Y83-D292 HydrophobicContact CD2-CB 3.72Å; Y83-D292 WeakPolarHBondContact CD2-OD2 3.24Å; Y83-D292 HydrophobicContact CE2-CB 3.94Å; R92-D292 IonicContact CZ-OD1 3.92Å; R92-D292 IonicContact CZ-OD2 2.8Å; R92-D292 VanDerWaalsContact NH1-CG 3.33Å; R92-D292 IonicContact NH1-OD1 2.7Å; R92-D292 PolarHBondContact NH1-OD1 3.11Å; R92-D292 IonicContact NH1-OD2 2.85Å; R92-D292 PolarHBondContact NH1-OD2 2.88Å; R92-D292 PolarHBondContact NH2-O 2.68Å; R92-D292 IonicContact NH2-OD1 3.46Å; R92-D292 PolarHBondContact NH2-OD1 3.03Å; R92-D292 IonicContact NH2-OD2 2.72Å; D292-N294 VanDerWaalsContact C-N 3.27Å
293V94.8Very high85.9Confident8 Ų851.5 Ų51.55%0.04825%0.245CC..THydrogen-bonded Turntrans-70.3-22.1172.2-70.90000113.1A261 L262 P264 Y283 R291A261-V293 CarbonylContact C-O 3.59Å; A261-V293 WeakPolarHBondContact CA-O 3.47Å; L262-V293 HydrophobicContact CB-CB 4.43Å; L262-V293 PolarHBondContact N-O 2.74Å; L262-V293 WeakPolarHBondContact O-CB 3.44Å; L262-V293 WeakPolarHBondContact O-CG1 3.35Å; P264-V293 HydrophobicContact CG-CG1 4.22Å; Y283-V293 HydrophobicContact CD2-CG2 3.79Å; Y283-V293 HydrophobicContact CG-CG2 4.17Å; R291-V293 HydrophobicContact CB-CG2 3.89Å; R291-V293 PolarHBondContact O-N 3.04Å
294N96.2Very high83.2Confident0 Ų052.7 Ų52.70%025%0.253CS..THydrogen-bonded Turntrans-98.3-7176.8-68.7117.3000113.9L250 A259 L260 A261 R281 Y283 E290 R291 D292L250-N294 HydrophobicContact CD2-CB 4.2Å; L250-N294 WeakPolarHBondContact CD2-O 3.47Å; A259-N294 HydrophobicContact CB-CB 4.06Å; A259-N294 WeakPolarHBondContact CB-ND2 3.39Å; L260-N294 WeakPolarHBondContact O-CA 3.17Å; L260-N294 PolarHBondContact O-ND2 3.41Å; A261-N294 WeakPolarHBondContact CB-ND2 3.34Å; R281-N294 PolarHBondContact O-ND2 3.17Å; Y283-N294 WeakPolarHBondContact CB-OD1 3.18Å; Y283-N294 PolarHBondContact N-OD1 3.01Å; Y283-N294 PolarHBondContact O-OD1 3.33Å; E290-N294 HydrophobicContact CB-CB 4.41Å; R291-N294 PolarHBondContact O-N 3.42Å; D292-N294 VanDerWaalsContact C-N 3.27Å
295V96.5Very high80.1Confident15 Ų1550 Ų509%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-83.4130.7177.2-179.80000109.7N76 P77 K248 L250N76-V295 PolarHBondContact ND2-O 3.31Å; P77-V295 WeakPolarHBondContact CD-O 3.06Å; P77-V295 HydrophobicContact CG-CG1 4.26Å; K248-V295 HydrophobicContact CB-CG1 3.82Å; K248-V295 HydrophobicContact CD-CG1 4.12Å; K248-V295 HydrophobicContact CG-CG1 4.04Å; L250-V295 HydrophobicContact CD2-CG2 4.34Å
296W97.4Very high77.5Confident0 Ų052.6 Ų52.60%028%0.277CS..EExtended strand (participates in β ladder)trans-131156.2178.6-62.688.3000110.1I74 I75 N76 L97 K248 L249 I251 L260 L262 L278I74-W296 HydrophobicContact CG2-CD2 4.23Å; I74-W296 HydrophobicContact CG2-CE3 3.65Å; I74-W296 HydrophobicContact CG2-CZ3 4.25Å; I75-W296 VanDerWaalsContact C-CE3 3.42Å; I75-W296 CarbonylContact O-C 3.48Å; I75-W296 WeakPolarHBondContact O-CA 3.24Å; N76-W296 HydrophobicContact CB-CD2 4.42Å; N76-W296 HydrophobicContact CB-CE3 3.98Å; N76-W296 HydrophobicContact CB-CH2 4Å; N76-W296 HydrophobicContact CB-CZ2 4.43Å; N76-W296 HydrophobicContact CB-CZ3 3.77Å; L97-W296 HydrophobicContact CB-CZ3 4.34Å; K248-W296 CarbonylContact C-O 3.6Å; K248-W296 WeakPolarHBondContact CA-O 3.32Å; L249-W296 HydrophobicContact CD1-CB 4.31Å; L249-W296 PolarHBondContact N-O 2.94Å; L249-W296 PolarHBondContact O-N 3.3Å; L249-W296 VanDerWaalsContact O-O 3.13Å; I251-W296 HydrophobicContact CD1-CB 3.68Å; I251-W296 HydrophobicContact CD1-CG 3.91Å; I251-W296 HydrophobicContact CG1-CB 4.15Å; I251-W296 HydrophobicContact CG1-CG 4.42Å; L260-W296 HydrophobicContact CD2-CD2 3.89Å; L260-W296 HydrophobicContact CD2-CE3 4.4Å; L260-W296 HydrophobicContact CD2-CG 4.31Å; L260-W296 HydrophobicContact CD2-CH2 4.37Å; L260-W296 HydrophobicContact CD2-CZ2 3.84Å; L260-W296 HydrophobicContact CG-CD2 4.47Å; L260-W296 HydrophobicContact CG-CZ2 3.72Å; L260-W296 PolarHBondContact O-NE1 3.45Å; L262-W296 HydrophobicContact CB-CH2 4.47Å; L262-W296 HydrophobicContact CB-CZ2 4.3Å; L278-W296 HydrophobicContact CD2-CH2 3.74Å; L278-W296 HydrophobicContact CD2-CZ2 4.12Å
297M95.2Very high74.5Confident38 Ų3852.5 Ų52.519%0.18728%0.276CS..EExtended strand (participates in β ladder)trans-121.6139.6170.3-57-176.6-48.300108.1I75 P77 K248I75-M297 PolarHBondContact N-O 2.89Å; I75-M297 PolarHBondContact O-N 3.31Å; P77-M297 HydrophobicContact CB-CE 3.89Å; P77-M297 HydrophobicContact CB-SD 4.03Å; K248-M297 HydrophobicContact CG-CG 3.86Å; K248-M297 HydrophobicContact CG-SD 3.97Å
298L94.1Very high71.9Confident0 Ų053.4 Ų53.40%028%0.276CS..EExtended strand (participates in β ladder)trans-101.290.6174.1-60.9-174.6000108.3L66 I72 I74 F166 L227 S245 D246 L249 I251L66-L298 HydrophobicContact CD1-CB 3.62Å; L66-L298 HydrophobicContact CD1-CD1 3.71Å; L66-L298 HydrophobicContact CD1-CG 4.27Å; L66-L298 HydrophobicContact CD2-CB 4.45Å; I72-L298 HydrophobicContact CD1-CB 4.4Å; I72-L298 HydrophobicContact CD1-CD2 3.82Å; I72-L298 HydrophobicContact CD1-CG 4.47Å; I74-L298 HydrophobicContact CB-CD2 4.24Å; I74-L298 HydrophobicContact CG1-CD2 3.75Å; I74-L298 HydrophobicContact CG2-CD2 4.24Å; F166-L298 HydrophobicContact CE1-CD1 4.43Å; F166-L298 HydrophobicContact CE1-CD2 4.18Å; F166-L298 HydrophobicContact CZ-CD1 4.42Å; F166-L298 HydrophobicContact CZ-CD2 4.09Å; L227-L298 HydrophobicContact CD1-CD1 3.55Å; L227-L298 HydrophobicContact CD2-CD1 3.87Å; L227-L298 HydrophobicContact CG-CD1 4.39Å; S245-L298 WeakPolarHBondContact CA-O 3.47Å; D246-L298 PolarHBondContact N-O 2.73Å; L249-L298 HydrophobicContact CD1-CG 4.29Å; L249-L298 HydrophobicContact CD2-CD1 4.12Å; L249-L298 HydrophobicContact CD2-CG 4.17Å; I251-L298 HydrophobicContact CD1-CD2 3.92Å
299A87.9Confident69.2Low2 Ų251.9 Ų51.92%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-82.6147.7179.500000110.4I72 Q73 I75 D246I72-A299 CarbonylContact C-O 3.56Å; I72-A299 VanDerWaalsContact CA-O 3.25Å; I72-A299 WeakPolarHBondContact CA-O 3.49Å; I72-A299 WeakPolarHBondContact CB-O 3.47Å; Q73-A299 PolarHBondContact N-O 3.06Å; Q73-A299 PolarHBondContact O-N 3.2Å; I75-A299 HydrophobicContact CD1-CB 3.71Å; D246-A299 VanDerWaalsContact OD1-CA 3.25Å; D246-A299 WeakPolarHBondContact OD1-CA 3.37Å; D246-A299 WeakPolarHBondContact OD1-CB 3.03Å
300S79.2Confident66.2Low14 Ų1454 Ų5410%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-76.3142.9162.8-173.50000110.1M60 K302M60-S300 VanDerWaalsContact CG-OG 3.3Å; M60-S300 WeakPolarHBondContact CG-OG 3.28Å; S300-K302 PolarHBondContact O-N 2.75Å
301A63.2Low63.2Low3 Ų359.5 Ų59.53%0.02533%0.325CS..SBendtrans-7331-177.800000114.3C57 Q73 P138 V143C57-A301 HydrophobicContact CB-CB 3.46Å; C57-A301 VanDerWaalsContact CB-CB 3.46Å; C57-A301 WeakPolarHBondContact SG-CB 3.38Å; Q73-A301 HydrophobicContact CG-CB 4.13Å; P138-A301 HydrophobicContact CB-CB 3.74Å; V143-A301 HydrophobicContact CG2-CB 4.03Å
302K55.8Low60.1Low116 Ų11666.2 Ų66.250%0.50436%0.358SS..SBendtrans-112.4103.4-179.2-164-165.4-171-172.60111.6A59 S300A59-K302 HydrophobicContact CB-CD 3.86Å; S300-K302 PolarHBondContact O-N 2.75Å
303Q38.1Very low57.2Low156 Ų15674.7 Ų74.773%0.72940%0.398SS*.  trans50.278.4165.5-64.9-177.5-67.400115.8G305Q303-G305 VanDerWaalsContact C-N 3.26Å; Q303-G305 PolarHBondContact O-N 3.45Å
304Q35.8Very low54.1Low68 Ų6878.4 Ų78.432%0.31843%0.429SS..  trans-68.484.3161.4-77-165.8-11.800111.8V136 L306V136-Q304 VanDerWaalsContact CG1-OE1 3.23Å; Q304-L306 HydrophobicContact CB-CG 4.09Å; Q304-L306 HydrophobicContact CG-CD1 4.39Å; Q304-L306 HydrophobicContact CG-CG 4.13Å; Q304-L306 PolarHBondContact O-N 3.48Å; Q304-L306 VanDerWaalsContact O-N 3.15Å; Q304-L306 VanDerWaalsContact OE1-CD1 3.25Å
305G27.6Very low50.9Low71 Ų7184.4 Ų84.473%0.73247%0.468SS*.  trans-74.667.6144.400000109.2Q303 S307Q303-G305 VanDerWaalsContact C-N 3.26Å; Q303-G305 PolarHBondContact O-N 3.45Å; G305-S307 VanDerWaalsContact C-N 3.26Å; G305-S307 PolarHBondContact O-N 2.87Å
306L34.9Very low48Very low77 Ų7792.5 Ų92.540%0.40351%0.505SS..  trans-7087.3173.4-84.4178.6000109.1Q304 Y308Q304-L306 HydrophobicContact CB-CG 4.09Å; Q304-L306 HydrophobicContact CG-CD1 4.39Å; Q304-L306 HydrophobicContact CG-CG 4.13Å; Q304-L306 PolarHBondContact O-N 3.48Å; Q304-L306 VanDerWaalsContact O-N 3.15Å; Q304-L306 VanDerWaalsContact OE1-CD1 3.25Å; L306-Y308 VanDerWaalsContact C-N 3.27Å; L306-Y308 HydrophobicContact CB-CD2 4.33Å; L306-Y308 HydrophobicContact CB-CE2 3.89Å; L306-Y308 HydrophobicContact CD1-CE2 4.44Å; L306-Y308 VanDerWaalsContact O-CD2 3.27Å; L306-Y308 WeakPolarHBondContact O-CD2 3.32Å; L306-Y308 PolarHBondContact O-N 3.35Å
307S24.2Very low44.8Very low97 Ų97102 Ų10268%0.67855%0.546SS*.  trans-66.489.9161.857.50000108.4G305 I309G305-S307 VanDerWaalsContact C-N 3.26Å; G305-S307 PolarHBondContact O-N 2.87Å; S307-I309 VanDerWaalsContact C-N 3.31Å; S307-I309 PolarHBondContact O-N 2.98Å
308Y31.6Very low41.9Very low143 Ų143108 Ų10856%0.56158%0.577SS**  trans-63.197.9162-62.1-87.7000107.2P94 L306 S310P94-Y308 WeakPolarHBondContact CD-OH 3.32Å; P94-Y308 HydrophobicContact CG-CE1 3.93Å; P94-Y308 WeakPolarHBondContact CG-OH 3.48Å; L306-Y308 VanDerWaalsContact C-N 3.27Å; L306-Y308 HydrophobicContact CB-CD2 4.33Å; L306-Y308 HydrophobicContact CB-CE2 3.89Å; L306-Y308 HydrophobicContact CD1-CE2 4.44Å; L306-Y308 VanDerWaalsContact O-CD2 3.27Å; L306-Y308 WeakPolarHBondContact O-CD2 3.32Å; L306-Y308 PolarHBondContact O-N 3.35Å; Y308-S310 PolarHBondContact O-N 2.84Å
309I30.3Very low38.9Very low139 Ų139114.6 Ų114.671%0.71361%0.612SS**  trans-73.483.6173.3-59.4177.8000107.3S307 D311S307-I309 VanDerWaalsContact C-N 3.31Å; S307-I309 PolarHBondContact O-N 2.98Å; I309-D311 VanDerWaalsContact C-N 3.31Å; I309-D311 HydrophobicContact CG2-CB 3.97Å; I309-D311 PolarHBondContact O-N 3.02Å
310S26.2Very low36.5Very low109 Ų109122.9 Ų122.976%0.76265%0.65SS**  trans-80.883.4155.955.40000107.8Y308Y308-S310 PolarHBondContact O-N 2.84Å
311D31.1Very low34.3Very low132 Ų132128.1 Ų128.171%0.70668%0.677SS**  trans-137.7126.6167.9-104-43.2000110I309I309-D311 VanDerWaalsContact C-N 3.31Å; I309-D311 HydrophobicContact CG2-CB 3.97Å; I309-D311 PolarHBondContact O-N 3.02Å
312E29.4Very low33.1Very low195 Ų195134.2 Ų134.291%0.91171%0.714SS**  trans-81114.4168.2-67.5177.895.700109.1
313Q31.4Very low32.3Very low186 Ų186133.5 Ų133.587%0.86972%0.723SS**  trans-128.5138.1154.6-68.4-162-1.600110.7
314A29.7Very low32.3Very low86 Ų86132.5 Ų132.571%0.71172%0.722SS**PPolyproline II helixtrans-72.4154-159.900000113.6H316A314-H316 PolarHBondContact O-N 3.16Å
315P29.5Very low32.3Very low125 Ų125137.7 Ų137.781%0.81275%0.747SS**PPolyproline II helixtrans-70.3129.1-175.428.1-35.2000112.3K317P315-K317 PolarHBondContact O-N 2.83Å
316H34.7Very low32.9Very low186 Ų186139.1 Ų139.186%0.86175%0.745SS**PPolyproline II helixtrans-67.1126.2165.9-86-95.3000110.4A314 I318A314-H316 PolarHBondContact O-N 3.16Å; H316-I318 PolarHBondContact O-N 3.24Å
317K31.2Very low33Very low199 Ų199141.6 Ų141.687%0.86576%0.759SS**PPolyproline II helixtrans-67.3124.6170.9-67.8175.1177.3177.30109.9P315P315-K317 PolarHBondContact O-N 2.83Å
318I34.5Very low33.9Very low165 Ų165142.4 Ų142.485%0.84676%0.764SS**  trans-123.7129.6150.3-60.1-179.3000105.5H316H316-I318 PolarHBondContact O-N 3.24Å
319L31.4Very low34.3Very low138 Ų138140 Ų14072%0.72377%0.773SS**  trans-135.8103.7-170.8-176.7151.9000108.3
320E37Very low34.7Very low175 Ų175138.5 Ų138.582%0.81878%0.781SS**  trans-154.880.9178.2-121.5163-137.700111.7
321N33.2Very low35.2Very low125 Ų125136.1 Ų136.167%0.66877%0.774SS**  46.8165.9129.2-55.7-22.7000123.2
322T38.1Very low35.5Very low131 Ų131135 Ų13580%0.80478%0.777SS**  trans79.1107.8172.669.70000114.9
323S38.5Very low36Very low100 Ų100132.1 Ų132.170%0.69977%0.768SS**  91.7141.656.669.40000112.4
324L37.7Very low36.4Very low136 Ų136129.4 Ų129.471%0.71276%0.758SS**  cis-133.4160.710.6-80.795.1000110.2
325E36.7Very low36.8Very low177 Ų177135.1 Ų135.183%0.82776%0.761SS**  40.8141.188.5-41.9-173.8135.400116.4
326S40.7Very low37.3Very low100 Ų100135.5 Ų135.570%0.69976%0.757SS**  cis-141.1-156-3.456.60000109.6
327D36.8Very low37.5Very low129 Ų129133.2 Ų133.269%0.6975%0.746SS**  cis-164.9174.97.4-136.2-51000112.6
328C42.2Very low37.8Very low115 Ų115130.6 Ų130.678%0.77774%0.735SS**  trans54150.4157.2-74.40000121.1
329A39.1Very low38Very low93 Ų93131 Ų13177%0.76973%0.733SS**  cis178.5163.2-14.800000106.2
330A38.9Very low38.4Very low106 Ų106131 Ų13188%0.87674%0.738SS**  cis-167.6171.9-18.600000105.8
331G37.2Very low38.3Very low59 Ų59129.6 Ų129.661%0.60873%0.732SS**  cis155149.6-2.700000111.1
332S38.2Very low38.7Very low110 Ų110132.8 Ų132.877%0.76974%0.74SS**  trans72.1149.2177.389.30000115.8
333N38.9Very low38.8Very low134 Ų134132.4 Ų132.472%0.71773%0.729SS**  cis-156.7170.89.5-92.2-47.2000108.6
334L39.9Very low39Very low128 Ų128133.8 Ų133.867%0.6773%0.725SS**  cis-175.6159.4-30.9-161.976.4000108
335R38.1Very low39.2Very low206 Ų206136.1 Ų136.178%0.77773%0.729SS**  trans73.5158.4166.7-52.5-161.51751475117.1
336D40.3Very low39.4Very low133 Ų133135 Ų13571%0.71173%0.727SS**  cis173.3158.8-21.2-80.7-31.7000102.8
337E38.7Very low39.5Very low138 Ų138137.7 Ų137.765%0.64573%0.734SS**  cis-162.91585.4-128.6-172.7172.200110.4
338K38.7Very low39.8Very low145 Ų145135.1 Ų135.163%0.6373%0.73SS**  trans62.5127.2152-70.2160.5-172.5154.30120.9
339Q38Very low39.8Very low172 Ų172134.8 Ų134.880%0.80473%0.729SS**  76.2142.777.3-111173.32.300113.6
340V39.1Very low40.2Very low138 Ų138137.9 Ų137.984%0.83673%0.733SS**  cis-142.2176.326-174.60000112.1
341H36.1Very low40.9Very low146 Ų146141.4 Ų141.468%0.67676%0.762SS**  trans-115.5152.5-168.9-165.6-70.7000113.3
342F40Very low41.1Very low193 Ų193145.6 Ų145.685%0.84677%0.77SS**  trans-166.2120154.4-122.7-95.6000106.6
343E41.5Very low41.2Very low123 Ų123147.4 Ų147.458%0.57577%0.77SS**  62.614059.5-68.8-137.1137.600115.1
344Q42.3Very low41.4Very low129 Ų129148.2 Ų148.260%0.60377%0.773SS**  cis-163.7167.7-28.8-147-170.847.800109.9
345K41Very low41.5Very low184 Ų184149.4 Ų149.480%0.878%0.779SS**  trans82.9148.6157.8-74.8164.1176.9134.50120
346I42.7Very low41.7Very low153 Ų153145.8 Ų145.879%0.78578%0.779SS**  trans-122.4148.5-178.8-62.1163.8000106.5
347N41.2Very low41.8Very low158 Ų158146.7 Ų146.785%0.84578%0.784SS**  trans153156150.9-80.6-11.1000108.2
348A43.5Very low42Very low75 Ų75147.3 Ų147.362%0.6279%0.793SS**  cis179.5167-26.700000106.1
349S42.8Very low42.2Very low108 Ų108147.5 Ų147.576%0.75581%0.806SS**  trans65.5141.4162.739.30000120.5
350D47.8Very low42.6Very low158 Ų158145.4 Ų145.485%0.84581%0.806SS**  trans81.373.9150.4-56-7.1000121.6
351A53.2Low42.9Very low180 Ų180146.1 Ų146.1100%1.48880%0.803SS**  -165.80128.200000111.2

Retrieved 351 of 351 residues in 404.6 ms (Link to these results)

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