A0A077Z829_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z829, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M45.9Very low79.1Confident241 Ų24197.7 Ų97.7100%1.18751%0.511SS*.  0118.80-68.6-172.4-124.800107.1N3M1-N3 PolarHBondContact O-N 3.38Å
2A54.2Low80.6Confident65 Ų6589.7 Ų89.754%0.53747%0.469SS..  trans-57.8131.5176.600000108.9F4A2-F4 HydrophobicContact CB-CE2 4.24Å; A2-F4 HydrophobicContact CB-CZ 4.33Å; A2-F4 VanDerWaalsContact O-CD2 3.23Å; A2-F4 WeakPolarHBondContact O-CD2 3.37Å; A2-F4 PolarHBondContact O-N 2.87Å
3N67.9Low81.8Confident115 Ų11589.3 Ų89.362%0.61547%0.468SS*.  trans-8266.5-173.2-159.814000109.2M1 A5 A6 D7M1-N3 PolarHBondContact O-N 3.38Å; N3-A5 PolarHBondContact O-N 3.25Å; N3-A6 HydrophobicContact CB-CB 4.19Å; N3-A6 WeakPolarHBondContact O-CA 3.36Å; N3-A6 WeakPolarHBondContact O-CB 3.37Å; N3-A6 PolarHBondContact O-N 2.8Å; N3-D7 PolarHBondContact O-N 2.86Å
4F76.5Confident82.8Confident153 Ų15389.7 Ų89.767%0.67147%0.468SS*.Hα-helixtrans-46.5-38.5-173.1-71.4-77.9000112.7A2 A6 D7 E8A2-F4 HydrophobicContact CB-CE2 4.24Å; A2-F4 HydrophobicContact CB-CZ 4.33Å; A2-F4 VanDerWaalsContact O-CD2 3.23Å; A2-F4 WeakPolarHBondContact O-CD2 3.37Å; A2-F4 PolarHBondContact O-N 2.87Å; F4-A6 VanDerWaalsContact C-N 3.33Å; F4-A6 PolarHBondContact O-N 3.4Å; F4-D7 PolarHBondContact O-N 2.97Å; F4-E8 WeakPolarHBondContact O-CG 3.23Å; F4-E8 PolarHBondContact O-N 3.24Å
5A79.3Confident83.8Confident42 Ų4284 Ų8435%0.34744%0.439SS..Hα-helixtrans-63.6-33.9178.500000114N3 R9 I120N3-A5 PolarHBondContact O-N 3.25Å; A5-R9 WeakPolarHBondContact O-CG 3.43Å; A5-R9 PolarHBondContact O-N 2.75Å; A5-I120 HydrophobicContact CB-CD1 3.83Å; A5-I120 WeakPolarHBondContact O-CD1 3.49Å
6A80.6Confident84.6Confident33 Ų3382.9 Ų82.927%0.27343%0.434SS..Hα-helixtrans-69.9-47.5174.600000110.2N3 F4 E8 R9 D10N3-A6 HydrophobicContact CB-CB 4.19Å; N3-A6 WeakPolarHBondContact O-CA 3.36Å; N3-A6 WeakPolarHBondContact O-CB 3.37Å; N3-A6 PolarHBondContact O-N 2.8Å; F4-A6 VanDerWaalsContact C-N 3.33Å; F4-A6 PolarHBondContact O-N 3.4Å; A6-E8 VanDerWaalsContact C-N 3.27Å; A6-E8 PolarHBondContact O-N 3.31Å; A6-R9 PolarHBondContact O-N 3.29Å; A6-R9 VanDerWaalsContact O-N 3.07Å; A6-D10 PolarHBondContact O-N 3.28Å
7D90.4Very high85.3Confident83 Ų8379.2 Ų79.244%0.44441%0.414SS..Hα-helixtrans-57.5-41.3177.8-57.4-27.2000111.4N3 F4 D10 L11N3-D7 PolarHBondContact O-N 2.86Å; F4-D7 PolarHBondContact O-N 2.97Å; D7-D10 PolarHBondContact O-N 2.94Å; D7-L11 VanDerWaalsContact O-CG 3.23Å; D7-L11 WeakPolarHBondContact O-CG 3.39Å; D7-L11 PolarHBondContact O-N 3.32Å
8E91.9Very high85.9Confident59 Ų5982.6 Ų82.628%0.27642%0.421SS..Hα-helixtrans-63.1-42.6176.7-71.5-157.6173.700112.9F4 A6 D10 L11 L12 I99 I120F4-E8 WeakPolarHBondContact O-CG 3.23Å; F4-E8 PolarHBondContact O-N 3.24Å; A6-E8 VanDerWaalsContact C-N 3.27Å; A6-E8 PolarHBondContact O-N 3.31Å; E8-D10 VanDerWaalsContact C-N 3.33Å; E8-L11 PolarHBondContact O-N 3Å; E8-L12 VanDerWaalsContact O-CG 3.29Å; E8-L12 WeakPolarHBondContact O-CG 3.43Å; E8-L12 PolarHBondContact O-N 3.39Å; E8-I99 HydrophobicContact CB-CD1 3.67Å; E8-I99 HydrophobicContact CG-CD1 3.6Å; E8-I120 HydrophobicContact CB-CD1 3.97Å
9R94.3Very high86.3Confident151 Ų15179.4 Ų79.457%0.5741%0.407SS*.Hα-helixtrans-64.7-41177.7-72173.6-171.3175.63.1111.1A5 A6 L12 N13 I120A5-R9 WeakPolarHBondContact O-CG 3.43Å; A5-R9 PolarHBondContact O-N 2.75Å; A6-R9 PolarHBondContact O-N 3.29Å; A6-R9 VanDerWaalsContact O-N 3.07Å; R9-L12 PolarHBondContact O-N 2.88Å; R9-N13 WeakPolarHBondContact O-CB 3.46Å; R9-N13 VanDerWaalsContact O-CG 3.25Å; R9-N13 PolarHBondContact O-N 3.07Å; R9-N13 PolarHBondContact O-ND2 3.43Å; R9-I120 HydrophobicContact CG-CD1 4.26Å; R9-I120 HydrophobicContact CG-CG2 3.72Å
10D94Very high86.7Confident94 Ų9483.7 Ų83.750%0.50342%0.423SS..Hα-helixtrans-64.5-44.8179.4-68.7-22.3000111.1A6 D7 E8 L12 N13 M14A6-D10 PolarHBondContact O-N 3.28Å; D7-D10 PolarHBondContact O-N 2.94Å; E8-D10 VanDerWaalsContact C-N 3.33Å; D10-L12 VanDerWaalsContact C-N 3.33Å; D10-L12 PolarHBondContact O-N 3Å; D10-N13 WeakPolarHBondContact O-CA 3.34Å; D10-N13 WeakPolarHBondContact O-CB 3.4Å; D10-N13 PolarHBondContact O-N 3.47Å; D10-M14 WeakPolarHBondContact O-CG 3.31Å; D10-M14 PolarHBondContact O-N 3.43Å; D10-M14 VanDerWaalsContact O-N 3.13Å
11L95.1Very high87.2Confident39 Ų3984.6 Ų84.620%0.20442%0.424CS..Hα-helixtrans-58.7-43.5173.6-70.7169.7000112.3D7 E8 N13 M14 T42 R44 I99D7-L11 VanDerWaalsContact O-CG 3.23Å; D7-L11 WeakPolarHBondContact O-CG 3.39Å; D7-L11 PolarHBondContact O-N 3.32Å; E8-L11 PolarHBondContact O-N 3Å; L11-N13 VanDerWaalsContact C-N 3.27Å; L11-N13 PolarHBondContact O-N 3.31Å; L11-M14 PolarHBondContact O-N 3.04Å; L11-T42 HydrophobicContact CB-CG2 4.42Å; L11-T42 HydrophobicContact CD2-CG2 3.93Å; L11-T42 WeakPolarHBondContact O-CG2 3.23Å; L11-R44 HydrophobicContact CD1-CG 3.95Å; L11-I99 HydrophobicContact CB-CD1 4.14Å; L11-I99 HydrophobicContact CD1-CD1 3.86Å
12L96.7Very high89.6Confident1 Ų173.6 Ų73.61%0.00537%0.37CS..Hα-helixtrans-65.5-32.7175.7-68.5173.7000111.9E8 R9 D10 M14 V15 I46 L97 I99 I120 R122E8-L12 VanDerWaalsContact O-CG 3.29Å; E8-L12 WeakPolarHBondContact O-CG 3.43Å; E8-L12 PolarHBondContact O-N 3.39Å; R9-L12 PolarHBondContact O-N 2.88Å; D10-L12 VanDerWaalsContact C-N 3.33Å; D10-L12 PolarHBondContact O-N 3Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; L12-V15 PolarHBondContact O-N 3.3Å; L12-I46 HydrophobicContact CD2-CD1 4.02Å; L12-I46 HydrophobicContact CD2-CG2 4.1Å; L12-L97 HydrophobicContact CD2-CB 3.97Å; L12-I99 HydrophobicContact CD2-CG1 4.13Å; L12-I99 HydrophobicContact CG-CG1 4.28Å; L12-I120 HydrophobicContact CD1-CG2 3.87Å; L12-R122 HydrophobicContact CB-CB 3.93Å; L12-R122 HydrophobicContact CD1-CB 4.19Å; L12-R122 WeakPolarHBondContact O-CD 3.33Å; L12-R122 PolarHBondContact O-NH1 2.95Å
13N96Very high91.6Very high85 Ų8576 Ų7646%0.45537%0.368SS..Hα-helixtrans-66.8-29.5177.4-77.6-30.4000113.4R9 D10 L11 V15 R122R9-N13 WeakPolarHBondContact O-CB 3.46Å; R9-N13 VanDerWaalsContact O-CG 3.25Å; R9-N13 PolarHBondContact O-N 3.07Å; R9-N13 PolarHBondContact O-ND2 3.43Å; D10-N13 WeakPolarHBondContact O-CA 3.34Å; D10-N13 WeakPolarHBondContact O-CB 3.4Å; D10-N13 PolarHBondContact O-N 3.47Å; L11-N13 VanDerWaalsContact C-N 3.27Å; L11-N13 PolarHBondContact O-N 3.31Å; N13-V15 VanDerWaalsContact C-N 3.3Å; N13-V15 PolarHBondContact O-N 3.13Å; N13-R122 VanDerWaalsContact C-NH1 3.33Å; N13-R122 VanDerWaalsContact CA-CZ 3.43Å; N13-R122 VanDerWaalsContact CA-NH1 3.27Å; N13-R122 PolarHBondContact O-NH1 3.43Å; N13-R122 PolarHBondContact O-NH2 2.99Å; N13-R122 WeakPolarHBondContact OD1-CD 3.38Å; N13-R122 PolarHBondContact OD1-NE 3.13Å
14M96.4Very high93Very high95 Ų9570.7 Ų70.747%0.46834%0.339SS..THydrogen-bonded Turntrans-72.7-17.6177.1-63.91767300114.1D10 L11 L12 N16 P41 T42D10-M14 WeakPolarHBondContact O-CG 3.31Å; D10-M14 PolarHBondContact O-N 3.43Å; D10-M14 VanDerWaalsContact O-N 3.13Å; L11-M14 PolarHBondContact O-N 3.04Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; M14-N16 PolarHBondContact O-N 3.42Å; M14-P41 HydrophobicContact CB-CG 4Å; M14-P41 VanDerWaalsContact O-CD 3.31Å; M14-P41 WeakPolarHBondContact O-CD 3.41Å; M14-P41 WeakPolarHBondContact O-CG 3.48Å; M14-T42 HydrophobicContact CB-CG2 3.93Å; M14-T42 HydrophobicContact SD-CG2 4.1Å
15V97.5Very high93.9Very high4 Ų467.4 Ų67.42%0.02433%0.325CS..  trans-65.6125.4177.7179.20000109.5L12 N13 T39 I46 L67 L97 R122L12-V15 PolarHBondContact O-N 3.3Å; N13-V15 VanDerWaalsContact C-N 3.3Å; N13-V15 PolarHBondContact O-N 3.13Å; V15-T39 WeakPolarHBondContact CG1-O 3.29Å; V15-I46 HydrophobicContact CG2-CG1 4.05Å; V15-I46 HydrophobicContact CG2-CG2 4.24Å; V15-L67 HydrophobicContact CG1-CD1 3.93Å; V15-L97 HydrophobicContact CB-CD1 3.82Å; V15-L97 HydrophobicContact CG1-CD1 3.72Å; V15-L97 HydrophobicContact CG1-CD2 4.4Å; V15-L97 HydrophobicContact CG2-CD1 4.33Å; V15-R122 PolarHBondContact O-NH1 3.24Å
16N97.2Very high94.6Very high67 Ų6765.4 Ų65.436%0.35831%0.309SS..EExtended strand (participates in β ladder)trans-94.7136.2179.7-53.5-52.6000110.9M14 Y18 L38 T39M14-N16 PolarHBondContact O-N 3.42Å; N16-Y18 HydrophobicContact CB-CD2 4.25Å; N16-Y18 HydrophobicContact CB-CE2 3.55Å; N16-Y18 PolarHBondContact ND2-OH 3.3Å; N16-L38 CarbonylContact O-C 3.6Å; N16-L38 WeakPolarHBondContact O-CA 3.31Å; N16-T39 WeakPolarHBondContact CB-OG1 3.08Å; N16-T39 PolarHBondContact N-O 3Å; N16-T39 PolarHBondContact ND2-OG1 2.94Å; N16-T39 PolarHBondContact O-N 3.5Å
17I96.7Very high95.4Very high19 Ų1963.9 Ų63.910%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-124.3108.4175.2-57.5-174.4000106.8C19 I36 L38 V95 L97 F124 I126I17-C19 PolarHBondContact O-N 3.2Å; I17-I36 HydrophobicContact CG2-CG2 3.9Å; I17-L38 HydrophobicContact CB-CD2 4.1Å; I17-L38 HydrophobicContact CD1-CD2 4.03Å; I17-L38 HydrophobicContact CG1-CD2 3.67Å; I17-L38 HydrophobicContact CG2-CD2 3.72Å; I17-V95 HydrophobicContact CD1-CB 3.97Å; I17-V95 HydrophobicContact CD1-CG1 3.95Å; I17-V95 HydrophobicContact CD1-CG2 4.39Å; I17-L97 HydrophobicContact CD1-CD1 4.26Å; I17-F124 HydrophobicContact CB-CD1 4.07Å; I17-F124 HydrophobicContact CB-CE1 3.94Å; I17-F124 HydrophobicContact CB-CE2 4.43Å; I17-F124 HydrophobicContact CB-CG 4.38Å; I17-F124 HydrophobicContact CB-CZ 4.11Å; I17-F124 HydrophobicContact CD1-CB 3.57Å; I17-F124 HydrophobicContact CD1-CD1 3.75Å; I17-F124 HydrophobicContact CD1-CD2 4.22Å; I17-F124 HydrophobicContact CD1-CE1 4.49Å; I17-F124 HydrophobicContact CD1-CG 3.59Å; I17-F124 HydrophobicContact CG1-CD1 4.46Å; I17-F124 HydrophobicContact CG1-CG 4.43Å; I17-F124 HydrophobicContact CG2-CD1 3.78Å; I17-F124 HydrophobicContact CG2-CE1 3.6Å; I17-F124 HydrophobicContact CG2-CZ 4.22Å; I17-I126 HydrophobicContact CG2-CD1 4.12Å
18Y94.7Very high95.5Very high140 Ų14061.4 Ų61.455%0.54928%0.28SS..  trans-87.746.8-170.8-64.1-92.4000112.2N16 R37 T39N16-Y18 HydrophobicContact CB-CD2 4.25Å; N16-Y18 HydrophobicContact CB-CE2 3.55Å; N16-Y18 PolarHBondContact ND2-OH 3.3Å; Y18-R37 HydrophobicContact CD2-CB 4.11Å; Y18-R37 HydrophobicContact CD2-CG 4.16Å; Y18-R37 PolarHBondContact N-O 3.31Å; Y18-T39 HydrophobicContact CD2-CG2 4.38Å; Y18-T39 HydrophobicContact CE2-CG2 3.64Å; Y18-T39 WeakPolarHBondContact CE2-OG1 3.34Å
19C93.6Very high95.6Very high23 Ų2363.6 Ų63.616%0.15529%0.294CS..  trans-165.1129174.6-176.60000108.4I17 K21 I36 F124 I126I17-C19 PolarHBondContact O-N 3.2Å; C19-K21 PolarHBondContact SG-O 2.66Å; C19-I36 HydrophobicContact CB-CB 4.45Å; C19-I36 HydrophobicContact CB-CG1 4.06Å; C19-I36 HydrophobicContact CB-CG2 3.91Å; C19-F124 VanDerWaalsContact O-CE1 3.3Å; C19-F124 WeakPolarHBondContact O-CE1 3.33Å; C19-I126 HydrophobicContact CB-CD1 4.5Å
20K95.3Very high95.6Very high164 Ų16459.1 Ų59.171%0.71328%0.283SS*.SBendtrans-107.9-21.4171.6-68.3-176.8178.1-179.40112.5F124 I126 E127K20-F124 HydrophobicContact CG-CZ 4.19Å; K20-I126 WeakPolarHBondContact O-CA 3.49Å; K20-E127 PolarHBondContact O-N 3.26Å
21K96.8Very high95.7Very high104 Ų10457.3 Ų57.345%0.45228%0.278SS..EExtended strand (participates in β ladder)trans-148.6135.5-172.5-176.9171.4169.8163.80110.2C19 E127 E129C19-K21 PolarHBondContact SG-O 2.66Å; K21-E127 CarbonylContact C-O 3.54Å; K21-E127 VanDerWaalsContact CA-O 3.27Å; K21-E127 WeakPolarHBondContact CA-O 3.36Å; K21-E127 HydrophobicContact CG-CB 4.4Å; K21-E129 WeakPolarHBondContact CE-OE1 3.45Å; K21-E129 WeakPolarHBondContact CE-OE2 3.44Å; K21-E129 IonicContact NZ-OE1 3.85Å; K21-E129 PolarHBondContact NZ-OE1 2.76Å; K21-E129 IonicContact NZ-OE2 2.65Å; K21-E129 PolarHBondContact NZ-OE2 3.32Å
22L96.7Very high95.8Very high9 Ų959.3 Ų59.35%0.04728%0.283CS..EExtended strand (participates in β ladder)trans-116.7137.8172.4-70.6174.2000108.9F24 E34 I36 V77 L93 I126 E127 V128 E129L22-F24 HydrophobicContact CB-CE2 4.09Å; L22-F24 HydrophobicContact CD1-CE2 4.27Å; L22-E34 HydrophobicContact CD2-CB 3.8Å; L22-E34 HydrophobicContact CD2-CG 4.17Å; L22-I36 HydrophobicContact CD1-CD1 4.06Å; L22-I36 HydrophobicContact CD1-CG1 4.29Å; L22-V77 HydrophobicContact CD1-CB 4.03Å; L22-V77 HydrophobicContact CD1-CG1 3.96Å; L22-V77 HydrophobicContact CD1-CG2 3.9Å; L22-L93 HydrophobicContact CD1-CD1 3.86Å; L22-I126 HydrophobicContact CD1-CG2 4.26Å; L22-I126 HydrophobicContact CG-CG2 4.05Å; L22-E127 PolarHBondContact N-O 2.83Å; L22-V128 WeakPolarHBondContact O-CA 3.44Å; L22-E129 PolarHBondContact O-N 3.3Å
23K96Very high95.8Very high116 Ų11666.5 Ų66.550%0.50431%0.31SS..EExtended strand (participates in β ladder)trans-117.5124.5173.6-169.4-180177-1650108.9E129 D131K23-E129 WeakPolarHBondContact CA-O 3.16Å; K23-D131 WeakPolarHBondContact CE-OD2 3.39Å; K23-D131 IonicContact NZ-OD2 3.25Å; K23-D131 PolarHBondContact NZ-OD2 3.48Å
24F96.4Very high95.9Very high3 Ų366.5 Ų66.51%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-113.3141.3173.6-71.5-75.9000110.2L22 P26 R32 E34 L58 V77 F79 V128 E129 Y130 D131L22-F24 HydrophobicContact CB-CE2 4.09Å; L22-F24 HydrophobicContact CD1-CE2 4.27Å; F24-P26 WeakPolarHBondContact O-CD 3.28Å; F24-R32 HydrophobicContact CD1-CB 3.71Å; F24-R32 HydrophobicContact CE1-CB 4.12Å; F24-E34 HydrophobicContact CD1-CG 4.32Å; F24-E34 HydrophobicContact CE1-CB 4.11Å; F24-E34 HydrophobicContact CE1-CG 3.54Å; F24-E34 HydrophobicContact CZ-CB 3.91Å; F24-E34 HydrophobicContact CZ-CG 3.73Å; F24-L58 HydrophobicContact CD2-CD2 4.4Å; F24-L58 HydrophobicContact CE2-CD2 4.03Å; F24-V77 HydrophobicContact CE2-CG1 4.09Å; F24-V77 HydrophobicContact CZ-CB 4.34Å; F24-V77 HydrophobicContact CZ-CG1 3.88Å; F24-F79 HydrophobicContact CB-CB 4.3Å; F24-F79 HydrophobicContact CB-CD1 4.39Å; F24-F79 HydrophobicContact CB-CG 4.19Å; F24-F79 HydrophobicContact CD1-CB 3.61Å; F24-F79 HydrophobicContact CD1-CG 4.39Å; F24-F79 HydrophobicContact CD2-CB 4.12Å; F24-F79 HydrophobicContact CE1-CB 3.84Å; F24-F79 HydrophobicContact CE2-CB 4.35Å; F24-F79 HydrophobicContact CG-CB 3.75Å; F24-F79 HydrophobicContact CG-CG 4.12Å; F24-F79 HydrophobicContact CZ-CB 4.21Å; F24-V128 HydrophobicContact CD2-CG1 3.82Å; F24-V128 HydrophobicContact CE2-CG1 4.19Å; F24-E129 PolarHBondContact N-O 2.9Å; F24-Y130 HydrophobicContact CB-CD1 4.12Å; F24-Y130 HydrophobicContact CB-CE1 4.27Å; F24-Y130 CarbonylContact O-C 3.48Å; F24-Y130 VanDerWaalsContact O-CA 3.3Å; F24-Y130 WeakPolarHBondContact O-CA 3.28Å; F24-D131 PolarHBondContact O-N 2.84Å
25K95.4Very high95.9Very high85 Ų8567.6 Ų67.637%0.3731%0.31SS..  trans-91.8109.6165-172.6179.2-174.4-162.70108.6D131 A133 E135K25-D131 HydrophobicContact CB-CB 4.14Å; K25-D131 HydrophobicContact CG-CB 4.06Å; K25-A133 WeakPolarHBondContact CE-O 3.41Å; K25-A133 WeakPolarHBondContact CG-O 3.08Å; K25-E135 IonicContact NZ-OE2 2.82Å; K25-E135 PolarHBondContact NZ-OE2 3.05Å
26P95.8Very high95.9Very high0 Ų067.6 Ų67.60%031%0.309CS..  trans-62.7145.2179.3-19.232.6000111F24 F79 L82 F86 L88 Y130 D131 I134 E135F24-P26 WeakPolarHBondContact O-CD 3.28Å; P26-F79 HydrophobicContact CB-CE1 3.94Å; P26-F79 HydrophobicContact CB-CZ 4.28Å; P26-F79 HydrophobicContact CG-CE1 4.42Å; P26-F79 HydrophobicContact CG-CZ 4.48Å; P26-L82 HydrophobicContact CB-CD1 3.81Å; P26-L82 HydrophobicContact CB-CD2 4.41Å; P26-L82 HydrophobicContact CB-CG 4.24Å; P26-F86 HydrophobicContact CB-CD1 4.14Å; P26-F86 HydrophobicContact CB-CE1 4.1Å; P26-F86 HydrophobicContact CG-CD1 4.04Å; P26-F86 HydrophobicContact CG-CE1 3.6Å; P26-F86 HydrophobicContact CG-CZ 4.4Å; P26-L88 HydrophobicContact CG-CD2 4.43Å; P26-Y130 HydrophobicContact CG-CD1 4.1Å; P26-Y130 HydrophobicContact CG-CG 4.33Å; P26-D131 WeakPolarHBondContact CD-O 3.46Å; P26-I134 HydrophobicContact CB-CG1 4.29Å; P26-I134 HydrophobicContact CB-CG2 4.41Å; P26-E135 PolarHBondContact O-N 2.98Å
27S95.5Very high95.9Very high0 Ų069.9 Ų69.90%031%0.313CS..BIsolated β-bridgetrans-148.1143.2178.4179.20000111.8N29 V30 K81 L82 E135S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact OG-N 3Å; S27-N29 VanDerWaalsContact OG-N 3.08Å; S27-V30 PolarHBondContact OG-N 3.49Å; S27-K81 CarbonylContact O-C 3.49Å; S27-K81 WeakPolarHBondContact O-CA 2.79Å; S27-K81 WeakPolarHBondContact O-CB 3.18Å; S27-L82 PolarHBondContact O-N 3.22Å; S27-E135 CarbonylContact C-O 3.57Å; S27-E135 WeakPolarHBondContact CA-O 3.16Å; S27-E135 WeakPolarHBondContact CB-O 3.33Å; S27-E135 PolarHBondContact OG-O 3.21Å
28Y94.2Very high96Very high31 Ų3169 Ų6912%0.12231%0.309CS..SBendtrans-76.8-19.6170.5-68.2-78.3000113L82 G84 I134 E135 G136 T137 P138Y28-L82 HydrophobicContact CD1-CB 3.52Å; Y28-L82 HydrophobicContact CE1-CB 3.56Å; Y28-L82 HydrophobicContact CE1-CD1 4.17Å; Y28-L82 HydrophobicContact CE2-CD1 4.21Å; Y28-L82 HydrophobicContact CG-CB 4.15Å; Y28-G84 WeakPolarHBondContact CE1-O 3.4Å; Y28-G84 PolarHBondContact OH-O 3.04Å; Y28-I134 HydrophobicContact CD2-CG2 3.86Å; Y28-I134 HydrophobicContact CE2-CG2 3.47Å; Y28-I134 VanDerWaalsContact CE2-CG2 3.47Å; Y28-E135 PolarHBondContact N-O 3.08Å; Y28-G136 WeakPolarHBondContact CD2-O 3.25Å; Y28-T137 VanDerWaalsContact CB-O 3.25Å; Y28-T137 WeakPolarHBondContact CB-O 3.44Å; Y28-P138 HydrophobicContact CD1-CB 4.29Å; Y28-P138 HydrophobicContact CD2-CG 4.27Å; Y28-P138 HydrophobicContact CE1-CB 3.98Å; Y28-P138 HydrophobicContact CE1-CG 4.26Å; Y28-P138 HydrophobicContact CE2-CB 4.35Å; Y28-P138 HydrophobicContact CE2-CG 3.78Å
29N92.9Very high96.1Very high105 Ų10563.2 Ų63.256%0.56129%0.288SS*.SBendtrans-101.4-37.3-173.4-64.1-25.9000112.4S27S27-N29 VanDerWaalsContact C-N 3.31Å; S27-N29 PolarHBondContact OG-N 3Å; S27-N29 VanDerWaalsContact OG-N 3.08Å
30V95Very high96.4Very high58 Ų5862.2 Ų62.235%0.35228%0.281SS..  trans-123.9134.7-166.7-177.70000111.8S27S27-V30 PolarHBondContact OG-N 3.49Å
31S96.3Very high96.5Very high56 Ų5656.6 Ų56.639%0.39226%0.261SS..  trans-87.4138.2166.3-57.50000109.8F79 K81S31-F79 CarbonylContact C-O 3.56Å; S31-F79 VanDerWaalsContact CA-O 3.28Å; S31-F79 WeakPolarHBondContact CA-O 3.41Å; S31-F79 WeakPolarHBondContact CB-O 3.36Å; S31-K81 PolarHBondContact OG-N 3Å
32R97Very high96.5Very high81 Ų8151.8 Ų51.831%0.30624%0.24SC..EExtended strand (participates in β ladder)trans-104.8156.2-178.8-58.1-64.2-175.7-169.4-1.9110.7F24 G78 F79 E135F24-R32 HydrophobicContact CD1-CB 3.71Å; F24-R32 HydrophobicContact CE1-CB 4.12Å; R32-G78 CarbonylContact O-C 3.57Å; R32-G78 WeakPolarHBondContact O-CA 3.48Å; R32-F79 PolarHBondContact N-O 2.96Å; R32-F79 PolarHBondContact O-N 2.94Å; R32-E135 IonicContact NH2-OE1 3.24Å; R32-E135 PolarHBondContact NH2-OE1 3.19Å; R32-E135 IonicContact NH2-OE2 3.3Å; R32-E135 PolarHBondContact NH2-OE2 3.36Å
33R97.2Very high96.4Very high151 Ų15156.9 Ų56.957%0.5727%0.268SS*.EExtended strand (participates in β ladder)trans-140.8134.6-179-63.3174.6-177.1-178.76.7109.3Q76 V77R33-Q76 HydrophobicContact CB-CG 4.28Å; R33-Q76 VanDerWaalsContact CD-NE2 3.35Å; R33-Q76 HydrophobicContact CG-CG 4.48Å; R33-V77 CarbonylContact C-O 3.57Å; R33-V77 WeakPolarHBondContact CA-O 3.17Å
34E97.2Very high96.4Very high85 Ų8554.1 Ų54.140%0.39725%0.254SS..EExtended strand (participates in β ladder)trans-125.7162.8172.7-71.3-60.415300109.4L22 F24 Q76 V77L22-E34 HydrophobicContact CD2-CB 3.8Å; L22-E34 HydrophobicContact CD2-CG 4.17Å; F24-E34 HydrophobicContact CD1-CG 4.32Å; F24-E34 HydrophobicContact CE1-CB 4.11Å; F24-E34 HydrophobicContact CE1-CG 3.54Å; F24-E34 HydrophobicContact CZ-CB 3.91Å; F24-E34 HydrophobicContact CZ-CG 3.73Å; E34-Q76 CarbonylContact O-C 3.44Å; E34-Q76 WeakPolarHBondContact O-CA 3.4Å; E34-V77 PolarHBondContact N-O 2.73Å; E34-V77 PolarHBondContact O-N 2.97Å
35F97.1Very high96.3Very high119 Ų11955.1 Ų55.152%0.52226%0.259SS..EExtended strand (participates in β ladder)trans-125.3128.6179.8-65.3-89.7000111Y74 V75 Q76F35-Y74 HydrophobicContact CB-CD1 4.15Å; F35-V75 WeakPolarHBondContact CA-O 3.43Å; F35-Q76 HydrophobicContact CD1-CB 3.95Å; F35-Q76 HydrophobicContact CD1-CG 4.24Å; F35-Q76 HydrophobicContact CE1-CB 3.7Å; F35-Q76 HydrophobicContact CE1-CG 3.76Å; F35-Q76 HydrophobicContact CZ-CB 4.48Å; F35-Q76 HydrophobicContact CZ-CG 4.05Å
36I96.9Very high96.4Very high3 Ų351 Ų512%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-103.3129.3172-58159.6000108.3I17 C19 L22 L38 Y74 V75 V77 I126I17-I36 HydrophobicContact CG2-CG2 3.9Å; C19-I36 HydrophobicContact CB-CB 4.45Å; C19-I36 HydrophobicContact CB-CG1 4.06Å; C19-I36 HydrophobicContact CB-CG2 3.91Å; L22-I36 HydrophobicContact CD1-CD1 4.06Å; L22-I36 HydrophobicContact CD1-CG1 4.29Å; I36-L38 HydrophobicContact CG2-CD2 3.89Å; I36-Y74 WeakPolarHBondContact O-CA 3.19Å; I36-V75 PolarHBondContact N-O 2.81Å; I36-V75 PolarHBondContact O-N 3.36Å; I36-V77 HydrophobicContact CD1-CG2 3.4Å; I36-V77 HydrophobicContact CG1-CG2 4.03Å; I36-I126 HydrophobicContact CD1-CD1 3.42Å; I36-I126 VanDerWaalsContact CD1-CD1 3.42Å; I36-I126 HydrophobicContact CG1-CD1 4.18Å; I36-I126 HydrophobicContact CG2-CD1 4.17Å
37R97.6Very high96.5Very high115 Ų11551 Ų5143%0.43424%0.241SC..EExtended strand (participates in β ladder)trans-90.4126.5172.4-169.5179.2176.4178.5-1.8110.4Y18 T39 Y74Y18-R37 HydrophobicContact CD2-CB 4.11Å; Y18-R37 HydrophobicContact CD2-CG 4.16Å; Y18-R37 PolarHBondContact N-O 3.31Å; R37-T39 HydrophobicContact CG-CG2 4.17Å; R37-Y74 HydrophobicContact CB-CD1 4.01Å; R37-Y74 HydrophobicContact CB-CE1 3.71Å; R37-Y74 HydrophobicContact CG-CD1 4.38Å; R37-Y74 HydrophobicContact CG-CE1 3.95Å
38L98Very high96.6Very high2 Ų251 Ų511%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-110.6135169.2-45.6178.9000108.4N16 I17 I36 F48 L67 G72 I73 V75 V95N16-L38 CarbonylContact O-C 3.6Å; N16-L38 WeakPolarHBondContact O-CA 3.31Å; I17-L38 HydrophobicContact CB-CD2 4.1Å; I17-L38 HydrophobicContact CD1-CD2 4.03Å; I17-L38 HydrophobicContact CG1-CD2 3.67Å; I17-L38 HydrophobicContact CG2-CD2 3.72Å; I36-L38 HydrophobicContact CG2-CD2 3.89Å; L38-F48 HydrophobicContact CD1-CD1 4.31Å; L38-F48 HydrophobicContact CD1-CD2 4.1Å; L38-F48 HydrophobicContact CD1-CE1 4.49Å; L38-F48 HydrophobicContact CD1-CE2 4.32Å; L38-F48 HydrophobicContact CD1-CG 4.09Å; L38-F48 HydrophobicContact CD1-CZ 4.49Å; L38-L67 HydrophobicContact CB-CD1 4.06Å; L38-L67 HydrophobicContact CB-CD2 3.98Å; L38-G72 CarbonylContact O-C 3.5Å; L38-G72 WeakPolarHBondContact O-CA 3.47Å; L38-I73 HydrophobicContact CB-CG2 4.17Å; L38-I73 HydrophobicContact CD1-CG2 4.31Å; L38-I73 HydrophobicContact CG-CG2 4.43Å; L38-I73 PolarHBondContact N-O 2.81Å; L38-I73 PolarHBondContact O-N 3.27Å; L38-V75 HydrophobicContact CD1-CG2 3.73Å; L38-V75 HydrophobicContact CG-CG2 4.19Å; L38-V95 HydrophobicContact CD1-CG1 4.27Å; L38-V95 HydrophobicContact CD2-CG1 4.48Å
39T98.1Very high96.8Very high18 Ų1851.8 Ų51.811%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-131.1136174.466.30000111.7V15 N16 Y18 R37 P41V15-T39 WeakPolarHBondContact CG1-O 3.29Å; N16-T39 WeakPolarHBondContact CB-OG1 3.08Å; N16-T39 PolarHBondContact N-O 3Å; N16-T39 PolarHBondContact ND2-OG1 2.94Å; N16-T39 PolarHBondContact O-N 3.5Å; Y18-T39 HydrophobicContact CD2-CG2 4.38Å; Y18-T39 HydrophobicContact CE2-CG2 3.64Å; Y18-T39 WeakPolarHBondContact CE2-OG1 3.34Å; R37-T39 HydrophobicContact CG-CG2 4.17Å; T39-P41 VanDerWaalsContact O-CD 3.31Å; T39-P41 WeakPolarHBondContact O-CD 3.38Å
40N98Very high97Very high2 Ų247.5 Ų47.51%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-104.2102.1174.2176.213.8000109.6T42 R44 L67 K68 K70 R71N40-T42 WeakPolarHBondContact OD1-CA 3.26Å; N40-T42 WeakPolarHBondContact OD1-CB 3.46Å; N40-T42 PolarHBondContact OD1-N 2.9Å; N40-T42 PolarHBondContact OD1-OG1 2.72Å; N40-R44 PolarHBondContact ND2-O 3.37Å; N40-L67 HydrophobicContact CB-CB 3.67Å; N40-L67 HydrophobicContact CB-CD1 4.25Å; N40-L67 PolarHBondContact ND2-O 3.04Å; N40-L67 VanDerWaalsContact ND2-O 3.1Å; N40-K68 PolarHBondContact ND2-O 2.99Å; N40-K70 WeakPolarHBondContact O-CA 3.4Å; N40-K70 PolarHBondContact O-N 2.93Å; N40-R71 PolarHBondContact N-O 2.75Å; N40-R71 PolarHBondContact O-N 2.81Å
41P97.5Very high97Very high45 Ų4550 Ų5029%0.29223%0.229SC..  trans-81.9-1.8174.935.4-36.5000113M14 T39 K70M14-P41 HydrophobicContact CB-CG 4Å; M14-P41 VanDerWaalsContact O-CD 3.31Å; M14-P41 WeakPolarHBondContact O-CD 3.41Å; M14-P41 WeakPolarHBondContact O-CG 3.48Å; T39-P41 VanDerWaalsContact O-CD 3.31Å; T39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-K70 VanDerWaalsContact O-CD 3.28Å; P41-K70 WeakPolarHBondContact O-CD 3.48Å; P41-K70 WeakPolarHBondContact O-CE 3.41Å; P41-K70 PolarHBondContact O-NZ 2.65Å
42T96.6Very high97.1Very high3 Ų348.7 Ų48.72%0.01822%0.219CC..SBendtrans-86.2172.5-177.281.10000111.8L11 M14 N40 R44 P69 K70L11-T42 HydrophobicContact CB-CG2 4.42Å; L11-T42 HydrophobicContact CD2-CG2 3.93Å; L11-T42 WeakPolarHBondContact O-CG2 3.23Å; M14-T42 HydrophobicContact CB-CG2 3.93Å; M14-T42 HydrophobicContact SD-CG2 4.1Å; N40-T42 WeakPolarHBondContact OD1-CA 3.26Å; N40-T42 WeakPolarHBondContact OD1-CB 3.46Å; N40-T42 PolarHBondContact OD1-N 2.9Å; N40-T42 PolarHBondContact OD1-OG1 2.72Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact OG1-N 2.88Å; T42-R44 PolarHBondContact OG1-O 3.1Å; T42-P69 WeakPolarHBondContact O-CA 3.07Å; T42-K70 PolarHBondContact O-N 2.91Å
43D95.5Very high97Very high117 Ų11749 Ų4963%0.62623%0.229SC*.SBendtrans-92.75.2174.7-63.4-68.6000112.8K70D43-K70 WeakPolarHBondContact OD1-CE 3.19Å; D43-K70 IonicContact OD1-NZ 2.86Å; D43-K70 PolarHBondContact OD1-NZ 2.63Å; D43-K70 WeakPolarHBondContact OD2-CE 3.41Å; D43-K70 IonicContact OD2-NZ 2.94Å; D43-K70 PolarHBondContact OD2-NZ 3.21Å
44R95.2Very high96.9Very high58 Ų5843.2 Ų43.222%0.21921%0.208CC..SBendtrans-107.9150.5-179.6-62.7-63.1-64.4-76.9-0.5111.2L11 N40 T42 I46 I99 Y102L11-R44 HydrophobicContact CD1-CG 3.95Å; N40-R44 PolarHBondContact ND2-O 3.37Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact OG1-N 2.88Å; T42-R44 PolarHBondContact OG1-O 3.1Å; R44-I46 HydrophobicContact CB-CD1 4.49Å; R44-I99 VanDerWaalsContact NH2-CG2 3.31Å; R44-Y102 WeakPolarHBondContact CD-OH 3.47Å; R44-Y102 PolarHBondContact NE-OH 3.14Å
45M96Very high96.7Very high23 Ų2345.7 Ų45.711%0.11322%0.223CC..  trans-77.5125.8173.8-172.3174.3-65.300110.2V66 V100 E105M45-V66 HydrophobicContact CE-CG1 4.45Å; M45-V66 HydrophobicContact CG-CG1 3.18Å; M45-V66 HydrophobicContact SD-CG1 3.41Å; M45-V66 WeakPolarHBondContact SD-CG1 3.41Å; M45-V100 HydrophobicContact CB-CB 4.17Å; M45-V100 HydrophobicContact CB-CG2 4.49Å; M45-V100 HydrophobicContact CG-CB 4.05Å; M45-V100 HydrophobicContact CG-CG2 3.99Å; M45-V100 PolarHBondContact O-N 3.44Å; M45-V100 HydrophobicContact SD-CB 4.34Å; M45-V100 HydrophobicContact SD-CG1 4.33Å; M45-V100 HydrophobicContact SD-CG2 4.5Å; M45-E105 HydrophobicContact CE-CB 3.87Å; M45-E105 HydrophobicContact CE-CG 3.9Å; M45-E105 HydrophobicContact SD-CB 3.73Å; M45-E105 HydrophobicContact SD-CG 3.67Å
46I97.3Very high96.4Very high0 Ų046.9 Ų46.90%023%0.23CC..EExtended strand (participates in β ladder)trans-111122-177.8-55.1-56.2000109.9L12 V15 R44 V66 L67 L97 C98 I99L12-I46 HydrophobicContact CD2-CD1 4.02Å; L12-I46 HydrophobicContact CD2-CG2 4.1Å; V15-I46 HydrophobicContact CG2-CG1 4.05Å; V15-I46 HydrophobicContact CG2-CG2 4.24Å; R44-I46 HydrophobicContact CB-CD1 4.49Å; I46-V66 CarbonylContact O-C 3.55Å; I46-V66 WeakPolarHBondContact O-CA 3.49Å; I46-L67 HydrophobicContact CB-CB 4.27Å; I46-L67 PolarHBondContact N-O 2.75Å; I46-L67 PolarHBondContact O-N 3.06Å; I46-L97 HydrophobicContact CG2-CB 4.17Å; I46-L97 HydrophobicContact CG2-CD2 4.14Å; I46-C98 CarbonylContact C-O 3.56Å; I46-C98 WeakPolarHBondContact CA-O 3.36Å; I46-C98 WeakPolarHBondContact CG2-O 3.29Å; I46-I99 HydrophobicContact CD1-CG1 3.74Å
47G97.2Very high96.3Very high0 Ų048.8 Ų48.80%024%0.239CC..EExtended strand (participates in β ladder)trans-79.8142.4171.300000109.9L97 C98 V100G47-L97 WeakPolarHBondContact O-CA 3.3Å; G47-C98 PolarHBondContact N-O 2.89Å; G47-C98 PolarHBondContact O-N 2.91Å; G47-V100 VanDerWaalsContact N-CG2 3.34Å
48F97.8Very high96.3Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-130.6149.1170.775.2-92.1000112.9L38 V50 P62 Y64 G65 L67 I73 V75 V95 C96 L97 W113L38-F48 HydrophobicContact CD1-CD1 4.31Å; L38-F48 HydrophobicContact CD1-CD2 4.1Å; L38-F48 HydrophobicContact CD1-CE1 4.49Å; L38-F48 HydrophobicContact CD1-CE2 4.32Å; L38-F48 HydrophobicContact CD1-CG 4.09Å; L38-F48 HydrophobicContact CD1-CZ 4.49Å; F48-V50 HydrophobicContact CD2-CG2 4.19Å; F48-V50 HydrophobicContact CE2-CG2 4.41Å; F48-P62 HydrophobicContact CE2-CG 4.36Å; F48-P62 HydrophobicContact CZ-CG 3.89Å; F48-Y64 WeakPolarHBondContact O-CA 3.47Å; F48-G65 WeakPolarHBondContact CD1-O 3.39Å; F48-G65 PolarHBondContact N-O 3.32Å; F48-G65 PolarHBondContact O-N 3.27Å; F48-L67 HydrophobicContact CD1-CD2 4.29Å; F48-L67 HydrophobicContact CD1-CG 4.03Å; F48-L67 HydrophobicContact CE1-CD2 4.24Å; F48-L67 HydrophobicContact CE1-CG 4.44Å; F48-I73 HydrophobicContact CE1-CD1 4.41Å; F48-I73 HydrophobicContact CE1-CG2 4.05Å; F48-I73 HydrophobicContact CZ-CD1 4.33Å; F48-I73 HydrophobicContact CZ-CG2 4.23Å; F48-V75 HydrophobicContact CE2-CG2 3.77Å; F48-V75 HydrophobicContact CZ-CG2 3.95Å; F48-V95 HydrophobicContact CB-CG1 4.39Å; F48-C96 CarbonylContact C-O 3.5Å; F48-C96 WeakPolarHBondContact CA-O 3.08Å; F48-L97 HydrophobicContact CB-CD2 3.73Å; F48-W113 VanDerWaalsContact C-NE1 3.29Å; F48-W113 PolarHBondContact O-NE1 2.9Å
49K97.5Very high96.2Very high47 Ų4746.9 Ų46.920%0.20423%0.232CC..EExtended strand (participates in β ladder)trans-135.4135.6170.7171.9-179.1-172.11670108.9K51 P63 Y64 C96 W113K49-K51 HydrophobicContact CD-CG 4.5Å; K49-K51 HydrophobicContact CG-CG 4.47Å; K49-P63 WeakPolarHBondContact CA-O 3.3Å; K49-Y64 HydrophobicContact CB-CD1 3.89Å; K49-Y64 HydrophobicContact CB-CE1 4.17Å; K49-Y64 HydrophobicContact CD-CD1 4.08Å; K49-Y64 HydrophobicContact CD-CE1 3.48Å; K49-Y64 VanDerWaalsContact CD-CE1 3.48Å; K49-Y64 VanDerWaalsContact CE-CE1 3.46Å; K49-Y64 HydrophobicContact CG-CD1 3.71Å; K49-Y64 HydrophobicContact CG-CE1 3.49Å; K49-Y64 VanDerWaalsContact CG-CE1 3.49Å; K49-C96 HydrophobicContact CB-CB 4.38Å; K49-C96 PolarHBondContact N-O 2.87Å; K49-C96 PolarHBondContact O-N 2.91Å; K49-W113 HydrophobicContact CB-CD2 3.79Å; K49-W113 HydrophobicContact CB-CE3 4.2Å; K49-W113 HydrophobicContact CB-CG 4.16Å; K49-W113 HydrophobicContact CB-CH2 4.37Å; K49-W113 HydrophobicContact CB-CZ2 3.96Å; K49-W113 HydrophobicContact CB-CZ3 4.47Å; K49-W113 HydrophobicContact CD-CD2 4.37Å; K49-W113 HydrophobicContact CD-CE3 4.31Å
50V97.4Very high96.2Very high14 Ų1447 Ų479%0.08523%0.233CC..EExtended strand (participates in β ladder)trans-104.6132.2174.2-165.30000110.4F48 T60 P63 V75 L93 T94 V95F48-V50 HydrophobicContact CD2-CG2 4.19Å; F48-V50 HydrophobicContact CE2-CG2 4.41Å; V50-T60 HydrophobicContact CB-CG2 4.14Å; V50-T60 HydrophobicContact CG1-CG2 3.78Å; V50-P63 PolarHBondContact N-O 3.45Å; V50-V75 HydrophobicContact CG2-CG1 4.29Å; V50-L93 HydrophobicContact CG1-CD2 3.98Å; V50-T94 WeakPolarHBondContact CA-O 3.21Å; V50-V95 HydrophobicContact CG2-CG2 4.36Å
51K96.5Very high96.1Very high111 Ų11151.4 Ų51.448%0.48326%0.256SS..EExtended strand (participates in β ladder)trans-117.5149.3174.7-60.4-180-176.3175.80109.2K49 L93 T94K49-K51 HydrophobicContact CD-CG 4.5Å; K49-K51 HydrophobicContact CG-CG 4.47Å; K51-L93 CarbonylContact O-C 3.59Å; K51-L93 VanDerWaalsContact O-CA 3.3Å; K51-L93 WeakPolarHBondContact O-CA 3.43Å; K51-T94 PolarHBondContact N-O 3.39Å; K51-T94 PolarHBondContact O-N 2.85Å
52T96.6Very high96.1Very high29 Ų2950.9 Ų50.918%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-129.5149.6175.8-178.50000110.4R54 L55 L58 R92T52-R54 VanDerWaalsContact C-N 3.34Å; T52-R54 PolarHBondContact OG1-N 2.96Å; T52-R54 VanDerWaalsContact OG1-N 3.13Å; T52-L55 HydrophobicContact CG2-CD2 3.65Å; T52-L55 HydrophobicContact CG2-CG 4.33Å; T52-L58 HydrophobicContact CG2-CB 4.31Å; T52-L58 WeakPolarHBondContact OG1-CD1 3.22Å; T52-R92 WeakPolarHBondContact CA-O 3.41Å
53T96.1Very high96.1Very high86 Ų8653.2 Ų53.253%0.52827%0.269SS..SBendtrans-75.7-22.3168.849.10000112.7D91 R92T53-D91 WeakPolarHBondContact CB-OD1 3.36Å; T53-D91 WeakPolarHBondContact OG1-CA 3.44Å; T53-D91 WeakPolarHBondContact OG1-CB 3.5Å; T53-D91 PolarHBondContact OG1-OD1 2.89Å; T53-R92 HydrophobicContact CG2-CB 4.01Å; T53-R92 PolarHBondContact N-O 3.49Å; T53-R92 VanDerWaalsContact N-O 3.09Å; T53-R92 PolarHBondContact OG1-N 2.79Å; T53-R92 PolarHBondContact OG1-O 2.88Å
54R94.1Very high96.2Very high31 Ų3150.8 Ų50.812%0.11725%0.251CS..  trans-11781.3-178.3-168.1174.3-61.7-102.33.2112.8T52 Q56 Q57 L58 D87 D91T52-R54 VanDerWaalsContact C-N 3.34Å; T52-R54 PolarHBondContact OG1-N 2.96Å; T52-R54 VanDerWaalsContact OG1-N 3.13Å; R54-Q56 VanDerWaalsContact C-N 3.27Å; R54-Q56 PolarHBondContact O-N 3.02Å; R54-Q57 HydrophobicContact CG-CB 4.12Å; R54-L58 HydrophobicContact CB-CD1 4.22Å; R54-L58 WeakPolarHBondContact O-CB 3.38Å; R54-L58 PolarHBondContact O-N 2.79Å; R54-D87 IonicContact CZ-OD1 3.6Å; R54-D87 IonicContact CZ-OD2 3.7Å; R54-D87 IonicContact NH1-OD1 3.56Å; R54-D87 IonicContact NH1-OD2 2.9Å; R54-D87 PolarHBondContact NH1-OD2 2.59Å; R54-D87 IonicContact NH2-OD1 2.76Å; R54-D87 PolarHBondContact NH2-OD1 2.89Å; R54-D87 IonicContact NH2-OD2 3.58Å; R54-D91 IonicContact CZ-OD2 2.65Å; R54-D91 VanDerWaalsContact CZ-OD2 3.24Å; R54-D91 IonicContact NE-OD1 2.86Å; R54-D91 IonicContact NE-OD2 3.34Å; R54-D91 PolarHBondContact NE-OD2 3.45Å; R54-D91 IonicContact NH2-OD2 2.63Å; R54-D91 PolarHBondContact NH2-OD2 2.89Å
55L92.7Very high96.3Very high136 Ų13648.2 Ų48.271%0.71224%0.243SC*.THydrogen-bonded Turntrans-65.9-23.6-176.4-65.4171.3000114.5T52T52-L55 HydrophobicContact CG2-CD2 3.65Å; T52-L55 HydrophobicContact CG2-CG 4.33Å
56Q92.2Very high96.3Very high145 Ų14549.1 Ų49.168%0.67825%0.249SC*.THydrogen-bonded Turntrans-76.7-42-177.1-65.7-62.5-13.500111.9R54 K80R54-Q56 VanDerWaalsContact C-N 3.27Å; R54-Q56 PolarHBondContact O-N 3.02Å; Q56-K80 WeakPolarHBondContact O-CD 3.41Å; Q56-K80 PolarHBondContact O-NZ 2.87Å; Q56-K80 VanDerWaalsContact O-NZ 3.15Å
57Q94.3Very high96.3Very high42 Ų4249.2 Ų49.220%0.19625%0.25CS..THydrogen-bonded Turntrans-103.1-36.3-174.7-68.175.412.900113.8R54 F79 K80 L82 F86R54-Q57 HydrophobicContact CG-CB 4.12Å; Q57-F79 HydrophobicContact CB-CD2 4.09Å; Q57-F79 HydrophobicContact CB-CE2 3.69Å; Q57-F79 HydrophobicContact CB-CZ 4.23Å; Q57-F79 HydrophobicContact CG-CE2 4.35Å; Q57-F79 HydrophobicContact CG-CZ 4.44Å; Q57-F79 WeakPolarHBondContact O-CA 3.39Å; Q57-K80 PolarHBondContact O-N 2.86Å; Q57-L82 HydrophobicContact CG-CD2 4.48Å; Q57-F86 HydrophobicContact CG-CE2 4.49Å
58L96.7Very high96.2Very high4 Ų455.8 Ų55.82%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-93.1135.5-179-71.6169.5000111.2F24 T52 R54 V77 G78 F79 D91 V128F24-L58 HydrophobicContact CD2-CD2 4.4Å; F24-L58 HydrophobicContact CE2-CD2 4.03Å; T52-L58 HydrophobicContact CG2-CB 4.31Å; T52-L58 WeakPolarHBondContact OG1-CD1 3.22Å; R54-L58 HydrophobicContact CB-CD1 4.22Å; R54-L58 WeakPolarHBondContact O-CB 3.38Å; R54-L58 PolarHBondContact O-N 2.79Å; L58-V77 HydrophobicContact CD2-CG1 4.19Å; L58-G78 WeakPolarHBondContact CA-O 3.37Å; L58-F79 HydrophobicContact CD2-CB 4.15Å; L58-F79 HydrophobicContact CD2-CD2 3.72Å; L58-F79 HydrophobicContact CD2-CG 4.44Å; L58-F79 HydrophobicContact CG-CD2 4.11Å; L58-D91 HydrophobicContact CD1-CB 4.23Å; L58-V128 HydrophobicContact CD1-CB 4.49Å; L58-V128 HydrophobicContact CD1-CG1 4.18Å; L58-V128 HydrophobicContact CD1-CG2 4.26Å
59Y97.1Very high96.2Very high74 Ų7458.1 Ų58.129%0.2929%0.293SS..EExtended strand (participates in β ladder)trans-139.2161.4170.169.2-85.3000110.7G78 K80Y59-G78 WeakPolarHBondContact CD1-O 3.5Å; Y59-G78 VanDerWaalsContact CE1-CA 3.49Å; Y59-G78 PolarHBondContact N-O 3.14Å; Y59-G78 PolarHBondContact O-N 3.09Å; Y59-K80 HydrophobicContact CD1-CG 3.96Å; Y59-K80 HydrophobicContact CE1-CG 3.97Å
60T97.4Very high96.2Very high19 Ų1960.8 Ų60.812%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-130.9141.4178.456.10000111.4V50 P63 Q76 V77 L93V50-T60 HydrophobicContact CB-CG2 4.14Å; V50-T60 HydrophobicContact CG1-CG2 3.78Å; T60-P63 WeakPolarHBondContact O-CD 3.15Å; T60-P63 WeakPolarHBondContact OG1-CA 2.91Å; T60-Q76 CarbonylContact C-O 3.51Å; T60-Q76 WeakPolarHBondContact CA-O 3.45Å; T60-V77 HydrophobicContact CG2-CG2 4.19Å; T60-L93 HydrophobicContact CG2-CD2 4.08Å
61N97.1Very high96.2Very high95 Ų9567.9 Ų67.951%0.50833%0.33SS..EExtended strand (participates in β ladder)trans-131.7116.1174.7-171.723.6000110.7Q76N61-Q76 HydrophobicContact CB-CB 4.4Å; N61-Q76 PolarHBondContact N-O 2.87Å; N61-Q76 PolarHBondContact O-N 2.81Å
62P97.3Very high96.3Very high35 Ų3564.7 Ų64.723%0.22733%0.329CS..SBendcis-77147.6-6.434.7-37.2000111.9F48 Y64 I73F48-P62 HydrophobicContact CE2-CG 4.36Å; F48-P62 HydrophobicContact CZ-CG 3.89Å; P62-Y64 VanDerWaalsContact C-N 3.35Å; P62-Y64 WeakPolarHBondContact CB-O 3.27Å; P62-I73 HydrophobicContact CG-CD1 4.27Å
63P96.4Very high96.3Very high52 Ų5265.8 Ų65.834%0.33833%0.333SS..SBendtrans-77.3-22.2175.127.9-30.6000113.4K49 V50 T60K49-P63 WeakPolarHBondContact CA-O 3.3Å; V50-P63 PolarHBondContact N-O 3.45Å; T60-P63 WeakPolarHBondContact O-CD 3.15Å; T60-P63 WeakPolarHBondContact OG1-CA 2.91Å
64Y97.1Very high96.4Very high65 Ų6568.2 Ų68.226%0.25533%0.334SS..EExtended strand (participates in β ladder)trans-133.6143.5174.9-53.4-90.5000108.3F48 K49 P62 W113F48-Y64 WeakPolarHBondContact O-CA 3.47Å; K49-Y64 HydrophobicContact CB-CD1 3.89Å; K49-Y64 HydrophobicContact CB-CE1 4.17Å; K49-Y64 HydrophobicContact CD-CD1 4.08Å; K49-Y64 HydrophobicContact CD-CE1 3.48Å; K49-Y64 VanDerWaalsContact CD-CE1 3.48Å; K49-Y64 VanDerWaalsContact CE-CE1 3.46Å; K49-Y64 HydrophobicContact CG-CD1 3.71Å; K49-Y64 HydrophobicContact CG-CE1 3.49Å; K49-Y64 VanDerWaalsContact CG-CE1 3.49Å; P62-Y64 VanDerWaalsContact C-N 3.35Å; P62-Y64 WeakPolarHBondContact CB-O 3.27Å; Y64-W113 HydrophobicContact CD1-CB 3.76Å; Y64-W113 AromaticContact CD1-CD1 3.57Å; Y64-W113 AromaticContact CD1-CG 3.77Å; Y64-W113 HydrophobicContact CD1-CG 3.77Å; Y64-W113 HydrophobicContact CE1-CB 3.86Å; Y64-W113 HydrophobicContact CE1-CG 4.25Å
65G96.6Very high96.6Very high5 Ų566.9 Ų66.95%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-166.4-172.8174.600000112.8F48F48-G65 WeakPolarHBondContact CD1-O 3.39Å; F48-G65 PolarHBondContact N-O 3.32Å; F48-G65 PolarHBondContact O-N 3.27Å
66V96.7Very high96.8Very high41 Ų4161.8 Ų61.825%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-134.8129-179.1167.40000108.3M45 I46 V100 P109M45-V66 HydrophobicContact CE-CG1 4.45Å; M45-V66 HydrophobicContact CG-CG1 3.18Å; M45-V66 HydrophobicContact SD-CG1 3.41Å; M45-V66 WeakPolarHBondContact SD-CG1 3.41Å; I46-V66 CarbonylContact O-C 3.55Å; I46-V66 WeakPolarHBondContact O-CA 3.49Å; V66-V100 HydrophobicContact CG2-CG2 4.41Å; V66-P109 HydrophobicContact CG2-CB 4.41Å; V66-P109 HydrophobicContact CG2-CG 3.99Å
67L96.9Very high97.1Very high3 Ų354.9 Ų54.92%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-91.9109170.3-57172.7000108.5V15 L38 N40 I46 F48 I73V15-L67 HydrophobicContact CG1-CD1 3.93Å; L38-L67 HydrophobicContact CB-CD1 4.06Å; L38-L67 HydrophobicContact CB-CD2 3.98Å; N40-L67 HydrophobicContact CB-CB 3.67Å; N40-L67 HydrophobicContact CB-CD1 4.25Å; N40-L67 PolarHBondContact ND2-O 3.04Å; N40-L67 VanDerWaalsContact ND2-O 3.1Å; I46-L67 HydrophobicContact CB-CB 4.27Å; I46-L67 PolarHBondContact N-O 2.75Å; I46-L67 PolarHBondContact O-N 3.06Å; F48-L67 HydrophobicContact CD1-CD2 4.29Å; F48-L67 HydrophobicContact CD1-CG 4.03Å; F48-L67 HydrophobicContact CE1-CD2 4.24Å; F48-L67 HydrophobicContact CE1-CG 4.44Å; L67-I73 HydrophobicContact CD2-CB 4.03Å; L67-I73 HydrophobicContact CD2-CG2 3.31Å
68K96.7Very high97.2Very high138 Ų13852.9 Ų52.960%0.626%0.26SS*.  trans-62.1154.7171.9-67-175.1178.6-175.80110.7N40 K70 R71N40-K68 PolarHBondContact ND2-O 2.99Å; K68-K70 PolarHBondContact O-N 3.2Å; K68-R71 HydrophobicContact CB-CB 4.11Å; K68-R71 HydrophobicContact CB-CG 4Å; K68-R71 PolarHBondContact O-N 2.8Å
69P97.3Very high97.3Very high48 Ų4852.8 Ų52.831%0.31226%0.259SS..THydrogen-bonded Turntrans-50.8137.5172.3-29.737.2000112.3T42 R71T42-P69 WeakPolarHBondContact O-CA 3.07Å; P69-R71 WeakPolarHBondContact O-CG 3.4Å; P69-R71 PolarHBondContact O-N 2.88Å; P69-R71 VanDerWaalsContact O-N 3.14Å
70K97.7Very high97.3Very high103 Ų10353.6 Ų53.645%0.44826%0.264SS..THydrogen-bonded Turntrans5136.6178.4-43.7-61.4173.6177.90113.9N40 P41 T42 D43 K68N40-K70 WeakPolarHBondContact O-CA 3.4Å; N40-K70 PolarHBondContact O-N 2.93Å; P41-K70 VanDerWaalsContact O-CD 3.28Å; P41-K70 WeakPolarHBondContact O-CD 3.48Å; P41-K70 WeakPolarHBondContact O-CE 3.41Å; P41-K70 PolarHBondContact O-NZ 2.65Å; T42-K70 PolarHBondContact O-N 2.91Å; D43-K70 WeakPolarHBondContact OD1-CE 3.19Å; D43-K70 IonicContact OD1-NZ 2.86Å; D43-K70 PolarHBondContact OD1-NZ 2.63Å; D43-K70 WeakPolarHBondContact OD2-CE 3.41Å; D43-K70 IonicContact OD2-NZ 2.94Å; D43-K70 PolarHBondContact OD2-NZ 3.21Å; K68-K70 PolarHBondContact O-N 3.2Å
71R97.7Very high97.2Very high163 Ų16357.2 Ų57.262%0.61528%0.279SS*.EExtended strand (participates in β ladder)trans-132.9159.6180-67.7-67.2-176.4-92.32.6111.3N40 K68 P69N40-R71 PolarHBondContact N-O 2.75Å; N40-R71 PolarHBondContact O-N 2.81Å; K68-R71 HydrophobicContact CB-CB 4.11Å; K68-R71 HydrophobicContact CB-CG 4Å; K68-R71 PolarHBondContact O-N 2.8Å; P69-R71 WeakPolarHBondContact O-CG 3.4Å; P69-R71 PolarHBondContact O-N 2.88Å; P69-R71 VanDerWaalsContact O-N 3.14Å
72G96.8Very high97Very high44 Ų4452.9 Ų52.945%0.45426%0.255SS..EExtended strand (participates in β ladder)trans-123.9162.217100000112L38L38-G72 CarbonylContact O-C 3.5Å; L38-G72 WeakPolarHBondContact O-CA 3.47Å
73I97.6Very high96.7Very high53 Ų5357.8 Ų57.827%0.27228%0.279SS..EExtended strand (participates in β ladder)trans-137.4152.1173.9-160.7174.2000109.2L38 F48 P62 L67 V75L38-I73 HydrophobicContact CB-CG2 4.17Å; L38-I73 HydrophobicContact CD1-CG2 4.31Å; L38-I73 HydrophobicContact CG-CG2 4.43Å; L38-I73 PolarHBondContact N-O 2.81Å; L38-I73 PolarHBondContact O-N 3.27Å; F48-I73 HydrophobicContact CE1-CD1 4.41Å; F48-I73 HydrophobicContact CE1-CG2 4.05Å; F48-I73 HydrophobicContact CZ-CD1 4.33Å; F48-I73 HydrophobicContact CZ-CG2 4.23Å; P62-I73 HydrophobicContact CG-CD1 4.27Å; L67-I73 HydrophobicContact CD2-CB 4.03Å; L67-I73 HydrophobicContact CD2-CG2 3.31Å; I73-V75 HydrophobicContact CG2-CG2 4.35Å
74Y97.7Very high96.3Very high137 Ų13756.8 Ų56.854%0.53728%0.278SS..EExtended strand (participates in β ladder)trans-97.5129.4165.7-70.9-82.8000109.6F35 I36 R37F35-Y74 HydrophobicContact CB-CD1 4.15Å; I36-Y74 WeakPolarHBondContact O-CA 3.19Å; R37-Y74 HydrophobicContact CB-CD1 4.01Å; R37-Y74 HydrophobicContact CB-CE1 3.71Å; R37-Y74 HydrophobicContact CG-CD1 4.38Å; R37-Y74 HydrophobicContact CG-CE1 3.95Å
75V98Very high95.8Very high3 Ų360.3 Ų60.32%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-102.4116.8169-179.10000107.5F35 I36 L38 F48 V50 I73F35-V75 WeakPolarHBondContact CA-O 3.43Å; I36-V75 PolarHBondContact N-O 2.81Å; I36-V75 PolarHBondContact O-N 3.36Å; L38-V75 HydrophobicContact CD1-CG2 3.73Å; L38-V75 HydrophobicContact CG-CG2 4.19Å; F48-V75 HydrophobicContact CE2-CG2 3.77Å; F48-V75 HydrophobicContact CZ-CG2 3.95Å; V50-V75 HydrophobicContact CG2-CG1 4.29Å; I73-V75 HydrophobicContact CG2-CG2 4.35Å
76Q98.1Very high95.5Very high29 Ų2961.2 Ų61.214%0.13630%0.304CS..EExtended strand (participates in β ladder)trans-74.3128.1172.5-171.8-171.1-64.700108.9R33 E34 F35 T60 N61R33-Q76 HydrophobicContact CB-CG 4.28Å; R33-Q76 VanDerWaalsContact CD-NE2 3.35Å; R33-Q76 HydrophobicContact CG-CG 4.48Å; E34-Q76 CarbonylContact O-C 3.44Å; E34-Q76 WeakPolarHBondContact O-CA 3.4Å; F35-Q76 HydrophobicContact CD1-CB 3.95Å; F35-Q76 HydrophobicContact CD1-CG 4.24Å; F35-Q76 HydrophobicContact CE1-CB 3.7Å; F35-Q76 HydrophobicContact CE1-CG 3.76Å; F35-Q76 HydrophobicContact CZ-CB 4.48Å; F35-Q76 HydrophobicContact CZ-CG 4.05Å; T60-Q76 CarbonylContact C-O 3.51Å; T60-Q76 WeakPolarHBondContact CA-O 3.45Å; N61-Q76 HydrophobicContact CB-CB 4.4Å; N61-Q76 PolarHBondContact N-O 2.87Å; N61-Q76 PolarHBondContact O-N 2.81Å
77V97.9Very high95.3Very high0 Ų062.4 Ų62.40%031%0.309CS..EExtended strand (participates in β ladder)trans-105.8115.5168.4-177.30000107.8L22 F24 R33 E34 I36 L58 T60 L93L22-V77 HydrophobicContact CD1-CB 4.03Å; L22-V77 HydrophobicContact CD1-CG1 3.96Å; L22-V77 HydrophobicContact CD1-CG2 3.9Å; F24-V77 HydrophobicContact CE2-CG1 4.09Å; F24-V77 HydrophobicContact CZ-CB 4.34Å; F24-V77 HydrophobicContact CZ-CG1 3.88Å; R33-V77 CarbonylContact C-O 3.57Å; R33-V77 WeakPolarHBondContact CA-O 3.17Å; E34-V77 PolarHBondContact N-O 2.73Å; E34-V77 PolarHBondContact O-N 2.97Å; I36-V77 HydrophobicContact CD1-CG2 3.4Å; I36-V77 HydrophobicContact CG1-CG2 4.03Å; L58-V77 HydrophobicContact CD2-CG1 4.19Å; T60-V77 HydrophobicContact CG2-CG2 4.19Å; V77-L93 HydrophobicContact CB-CD1 4.42Å; V77-L93 HydrophobicContact CG1-CD1 3.5Å; V77-L93 VanDerWaalsContact CG1-CD1 3.5Å; V77-L93 HydrophobicContact CG2-CD1 4.04Å
78G97.4Very high95.1Very high0 Ų066.1 Ų66.10%033%0.328CS..EExtended strand (participates in β ladder)trans-101.5138.9175.300000111.7R32 L58 Y59R32-G78 CarbonylContact O-C 3.57Å; R32-G78 WeakPolarHBondContact O-CA 3.48Å; L58-G78 WeakPolarHBondContact CA-O 3.37Å; Y59-G78 WeakPolarHBondContact CD1-O 3.5Å; Y59-G78 VanDerWaalsContact CE1-CA 3.49Å; Y59-G78 PolarHBondContact N-O 3.14Å; Y59-G78 PolarHBondContact O-N 3.09Å
79F97.5Very high94.9Very high1 Ų166.5 Ų66.50%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-112112.3167.2-175.5-97.3000108.1F24 P26 S31 R32 Q57 L58 L82 F86 Y130F24-F79 HydrophobicContact CB-CB 4.3Å; F24-F79 HydrophobicContact CB-CD1 4.39Å; F24-F79 HydrophobicContact CB-CG 4.19Å; F24-F79 HydrophobicContact CD1-CB 3.61Å; F24-F79 HydrophobicContact CD1-CG 4.39Å; F24-F79 HydrophobicContact CD2-CB 4.12Å; F24-F79 HydrophobicContact CE1-CB 3.84Å; F24-F79 HydrophobicContact CE2-CB 4.35Å; F24-F79 HydrophobicContact CG-CB 3.75Å; F24-F79 HydrophobicContact CG-CG 4.12Å; F24-F79 HydrophobicContact CZ-CB 4.21Å; P26-F79 HydrophobicContact CB-CE1 3.94Å; P26-F79 HydrophobicContact CB-CZ 4.28Å; P26-F79 HydrophobicContact CG-CE1 4.42Å; P26-F79 HydrophobicContact CG-CZ 4.48Å; S31-F79 CarbonylContact C-O 3.56Å; S31-F79 VanDerWaalsContact CA-O 3.28Å; S31-F79 WeakPolarHBondContact CA-O 3.41Å; S31-F79 WeakPolarHBondContact CB-O 3.36Å; R32-F79 PolarHBondContact N-O 2.96Å; R32-F79 PolarHBondContact O-N 2.94Å; Q57-F79 HydrophobicContact CB-CD2 4.09Å; Q57-F79 HydrophobicContact CB-CE2 3.69Å; Q57-F79 HydrophobicContact CB-CZ 4.23Å; Q57-F79 HydrophobicContact CG-CE2 4.35Å; Q57-F79 HydrophobicContact CG-CZ 4.44Å; Q57-F79 WeakPolarHBondContact O-CA 3.39Å; L58-F79 HydrophobicContact CD2-CB 4.15Å; L58-F79 HydrophobicContact CD2-CD2 3.72Å; L58-F79 HydrophobicContact CD2-CG 4.44Å; L58-F79 HydrophobicContact CG-CD2 4.11Å; F79-L82 HydrophobicContact CE1-CD2 4.12Å; F79-L82 HydrophobicContact CZ-CD2 3.98Å; F79-F86 HydrophobicContact CE2-CE2 4.01Å; F79-F86 AromaticContact CE2-CZ 4Å; F79-F86 HydrophobicContact CE2-CZ 4Å; F79-F86 HydrophobicContact CZ-CD2 4.43Å; F79-F86 HydrophobicContact CZ-CE1 4.34Å; F79-F86 AromaticContact CZ-CE2 3.7Å; F79-F86 HydrophobicContact CZ-CE2 3.7Å; F79-F86 AromaticContact CZ-CZ 3.65Å; F79-F86 HydrophobicContact CZ-CZ 3.65Å; F79-Y130 AromaticContact CD2-CE1 3.78Å; F79-Y130 HydrophobicContact CD2-CE1 3.78Å; F79-Y130 HydrophobicContact CE2-CD1 4.14Å; F79-Y130 AromaticContact CE2-CE1 3.32Å; F79-Y130 HydrophobicContact CE2-CE1 3.32Å; F79-Y130 AromaticContact CE2-CZ 3.88Å; F79-Y130 HydrophobicContact CZ-CD1 4.26Å; F79-Y130 AromaticContact CZ-CE1 3.87Å; F79-Y130 HydrophobicContact CZ-CE1 3.87Å
80K96.8Very high94.7Very high91 Ų9169 Ų6940%0.39635%0.347SS..PPolyproline II helixtrans-66.1152.1-179.9-64.8179.1-168.2161.70110.4Q56 Q57 Y59Q56-K80 WeakPolarHBondContact O-CD 3.41Å; Q56-K80 PolarHBondContact O-NZ 2.87Å; Q56-K80 VanDerWaalsContact O-NZ 3.15Å; Q57-K80 PolarHBondContact O-N 2.86Å; Y59-K80 HydrophobicContact CD1-CG 3.96Å; Y59-K80 HydrophobicContact CE1-CG 3.97Å
81K95.3Very high94.7Very high96 Ų9664.8 Ų64.842%0.41733%0.329SS..PPolyproline II helixtrans-55.9149166.967.1179.6-173.8170.10110.7S27 S31S27-K81 CarbonylContact O-C 3.49Å; S27-K81 WeakPolarHBondContact O-CA 2.79Å; S27-K81 WeakPolarHBondContact O-CB 3.18Å; S31-K81 PolarHBondContact OG-N 3Å
82L94.7Very high94.6Very high4 Ų464.5 Ų64.52%0.02133%0.328CS..PPolyproline II helixtrans-72.2139.4177.5-57.5-176.7000109.9P26 S27 Y28 Q57 F79 F86 I134P26-L82 HydrophobicContact CB-CD1 3.81Å; P26-L82 HydrophobicContact CB-CD2 4.41Å; P26-L82 HydrophobicContact CB-CG 4.24Å; S27-L82 PolarHBondContact O-N 3.22Å; Y28-L82 HydrophobicContact CD1-CB 3.52Å; Y28-L82 HydrophobicContact CE1-CB 3.56Å; Y28-L82 HydrophobicContact CE1-CD1 4.17Å; Y28-L82 HydrophobicContact CE2-CD1 4.21Å; Y28-L82 HydrophobicContact CG-CB 4.15Å; Q57-L82 HydrophobicContact CG-CD2 4.48Å; F79-L82 HydrophobicContact CE1-CD2 4.12Å; F79-L82 HydrophobicContact CZ-CD2 3.98Å; L82-F86 HydrophobicContact CD1-CB 3.63Å; L82-F86 HydrophobicContact CD1-CD1 4.31Å; L82-F86 HydrophobicContact CD1-CG 4Å; L82-F86 HydrophobicContact CD2-CB 3.79Å; L82-F86 HydrophobicContact CD2-CD1 4.32Å; L82-F86 HydrophobicContact CD2-CD2 3.52Å; L82-F86 HydrophobicContact CD2-CE2 4.19Å; L82-F86 HydrophobicContact CD2-CG 3.6Å; L82-F86 HydrophobicContact CG-CB 4.3Å; L82-F86 HydrophobicContact CG-CG 4.45Å; L82-I134 HydrophobicContact CD1-CD1 4.37Å; L82-I134 HydrophobicContact CD1-CG2 3.72Å
83L90.5Very high94.7Very high137 Ų13762.4 Ų62.472%0.71731%0.306SS*.SBendtrans-111.8-0.2175.3-61.1179000112.4
84G87.4Confident94.7Very high31 Ų3161.3 Ų61.332%0.3230%0.302SS..SBendtrans-179.3-153.2-175.400000110.5Y28Y28-G84 WeakPolarHBondContact CE1-O 3.4Å; Y28-G84 PolarHBondContact OH-O 3.04Å
85D86.8Confident94.7Very high140 Ų14054.9 Ų54.975%0.74928%0.277SS*.  trans-60.3140.6-178.8-58.4-33.9000111.3
86F91Very high94.7Very high23 Ų2354.9 Ų54.910%0.10128%0.277CS..  trans-134119.5-179.3-177.3-106.9000110P26 Q57 F79 L82 L88 Y130 I134P26-F86 HydrophobicContact CB-CD1 4.14Å; P26-F86 HydrophobicContact CB-CE1 4.1Å; P26-F86 HydrophobicContact CG-CD1 4.04Å; P26-F86 HydrophobicContact CG-CE1 3.6Å; P26-F86 HydrophobicContact CG-CZ 4.4Å; Q57-F86 HydrophobicContact CG-CE2 4.49Å; F79-F86 HydrophobicContact CE2-CE2 4.01Å; F79-F86 AromaticContact CE2-CZ 4Å; F79-F86 HydrophobicContact CE2-CZ 4Å; F79-F86 HydrophobicContact CZ-CD2 4.43Å; F79-F86 HydrophobicContact CZ-CE1 4.34Å; F79-F86 AromaticContact CZ-CE2 3.7Å; F79-F86 HydrophobicContact CZ-CE2 3.7Å; F79-F86 AromaticContact CZ-CZ 3.65Å; F79-F86 HydrophobicContact CZ-CZ 3.65Å; L82-F86 HydrophobicContact CD1-CB 3.63Å; L82-F86 HydrophobicContact CD1-CD1 4.31Å; L82-F86 HydrophobicContact CD1-CG 4Å; L82-F86 HydrophobicContact CD2-CB 3.79Å; L82-F86 HydrophobicContact CD2-CD1 4.32Å; L82-F86 HydrophobicContact CD2-CD2 3.52Å; L82-F86 HydrophobicContact CD2-CE2 4.19Å; L82-F86 HydrophobicContact CD2-CG 3.6Å; L82-F86 HydrophobicContact CG-CB 4.3Å; L82-F86 HydrophobicContact CG-CG 4.45Å; F86-L88 HydrophobicContact CD1-CD2 4.28Å; F86-L88 HydrophobicContact CE1-CD2 4.06Å; F86-Y130 HydrophobicContact CE1-CD1 4.12Å; F86-Y130 HydrophobicContact CE1-CD2 4.02Å; F86-Y130 HydrophobicContact CE1-CE2 4.48Å; F86-Y130 AromaticContact CE1-CG 3.81Å; F86-Y130 HydrophobicContact CE1-CG 3.81Å; F86-Y130 AromaticContact CZ-CD1 3.84Å; F86-Y130 HydrophobicContact CZ-CD1 3.84Å; F86-Y130 AromaticContact CZ-CD2 3.75Å; F86-Y130 HydrophobicContact CZ-CD2 3.75Å; F86-Y130 AromaticContact CZ-CE1 3.86Å; F86-Y130 HydrophobicContact CZ-CE1 3.86Å; F86-Y130 AromaticContact CZ-CE2 3.75Å; F86-Y130 HydrophobicContact CZ-CE2 3.75Å; F86-Y130 AromaticContact CZ-CG 3.78Å; F86-Y130 HydrophobicContact CZ-CG 3.78Å; F86-Y130 AromaticContact CZ-CZ 3.8Å; F86-I134 HydrophobicContact CD1-CD1 4.47Å
87D91.2Very high94.6Very high67 Ų6753.5 Ų53.536%0.35827%0.27SS..  trans-79.1134169.366.787.9000109.8R54 K89R54-D87 IonicContact CZ-OD1 3.6Å; R54-D87 IonicContact CZ-OD2 3.7Å; R54-D87 IonicContact NH1-OD1 3.56Å; R54-D87 IonicContact NH1-OD2 2.9Å; R54-D87 PolarHBondContact NH1-OD2 2.59Å; R54-D87 IonicContact NH2-OD1 2.76Å; R54-D87 PolarHBondContact NH2-OD1 2.89Å; R54-D87 IonicContact NH2-OD2 3.58Å; D87-K89 HydrophobicContact CB-CG 4.22Å; D87-K89 PolarHBondContact O-N 2.92Å; D87-K89 VanDerWaalsContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.47Å; D87-K89 WeakPolarHBondContact OD1-CD 3.3Å; D87-K89 VanDerWaalsContact OD1-CG 3.24Å; D87-K89 WeakPolarHBondContact OD1-CG 3.42Å; D87-K89 PolarHBondContact OD1-N 2.84Å
88L92.5Very high94.6Very high81 Ų8153.5 Ų53.542%0.42427%0.27SS..  trans-78.824176.6-70.1164.6000112.3P26 F86 P132P26-L88 HydrophobicContact CG-CD2 4.43Å; F86-L88 HydrophobicContact CD1-CD2 4.28Å; F86-L88 HydrophobicContact CE1-CD2 4.06Å; L88-P132 HydrophobicContact CD1-CB 4.19Å
89K93.8Very high94.5Very high145 Ų14554 Ų5463%0.6327%0.273SS*.  trans-68.4139.3-179.2-63.5177179.2174.20109.6D87 Y130D87-K89 HydrophobicContact CB-CG 4.22Å; D87-K89 PolarHBondContact O-N 2.92Å; D87-K89 VanDerWaalsContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.47Å; D87-K89 WeakPolarHBondContact OD1-CD 3.3Å; D87-K89 VanDerWaalsContact OD1-CG 3.24Å; D87-K89 WeakPolarHBondContact OD1-CG 3.42Å; D87-K89 PolarHBondContact OD1-N 2.84Å; K89-Y130 VanDerWaalsContact O-CE2 3.28Å; K89-Y130 WeakPolarHBondContact O-CE2 3.37Å
90P93.2Very high94.4Very high102 Ų10254.1 Ų54.166%0.66227%0.274SS*.  trans-64.3142.9177.727.5-34.6000110.8
91D96.2Very high94.2Very high13 Ų1352.6 Ų52.67%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-116.6171.3179.8-83.6-69.2000111.8T53 R54 L58 V128 Y130T53-D91 WeakPolarHBondContact CB-OD1 3.36Å; T53-D91 WeakPolarHBondContact OG1-CA 3.44Å; T53-D91 WeakPolarHBondContact OG1-CB 3.5Å; T53-D91 PolarHBondContact OG1-OD1 2.89Å; R54-D91 IonicContact CZ-OD2 2.65Å; R54-D91 VanDerWaalsContact CZ-OD2 3.24Å; R54-D91 IonicContact NE-OD1 2.86Å; R54-D91 IonicContact NE-OD2 3.34Å; R54-D91 PolarHBondContact NE-OD2 3.45Å; R54-D91 IonicContact NH2-OD2 2.63Å; R54-D91 PolarHBondContact NH2-OD2 2.89Å; L58-D91 HydrophobicContact CD1-CB 4.23Å; D91-V128 HydrophobicContact CB-CB 3.97Å; D91-V128 PolarHBondContact N-O 2.86Å; D91-V128 PolarHBondContact O-N 3.34Å; D91-Y130 HydrophobicContact CB-CE2 4.31Å; D91-Y130 WeakPolarHBondContact OD2-CE2 3.41Å; D91-Y130 PolarHBondContact OD2-OH 3.15Å
92R96.8Very high94Very high157 Ų15755.6 Ų55.659%0.59228%0.283SS*.EExtended strand (participates in β ladder)trans-134.2133.8-178.5-63.4177.1-178.2175.10.1110.8T52 T53 T125 I126T52-R92 WeakPolarHBondContact CA-O 3.41Å; T53-R92 HydrophobicContact CG2-CB 4.01Å; T53-R92 PolarHBondContact N-O 3.49Å; T53-R92 VanDerWaalsContact N-O 3.09Å; T53-R92 PolarHBondContact OG1-N 2.79Å; T53-R92 PolarHBondContact OG1-O 2.88Å; R92-T125 HydrophobicContact CB-CG2 4.01Å; R92-T125 HydrophobicContact CG-CG2 4.11Å; R92-I126 WeakPolarHBondContact CA-O 3.37Å
93L97.3Very high93.9Very high0 Ų060.3 Ų60.30%032%0.316CS..EExtended strand (participates in β ladder)trans-103.9129.3163.8-75.9160.4000108.6L22 V50 K51 T60 V77 T125 I126 V128L22-L93 HydrophobicContact CD1-CD1 3.86Å; V50-L93 HydrophobicContact CG1-CD2 3.98Å; K51-L93 CarbonylContact O-C 3.59Å; K51-L93 VanDerWaalsContact O-CA 3.3Å; K51-L93 WeakPolarHBondContact O-CA 3.43Å; T60-L93 HydrophobicContact CG2-CD2 4.08Å; V77-L93 HydrophobicContact CB-CD1 4.42Å; V77-L93 HydrophobicContact CG1-CD1 3.5Å; V77-L93 VanDerWaalsContact CG1-CD1 3.5Å; V77-L93 HydrophobicContact CG2-CD1 4.04Å; L93-T125 CarbonylContact O-C 3.46Å; L93-T125 WeakPolarHBondContact O-CA 3.5Å; L93-I126 HydrophobicContact CB-CB 4.23Å; L93-I126 PolarHBondContact N-O 2.81Å; L93-I126 PolarHBondContact O-N 2.94Å; L93-V128 HydrophobicContact CB-CG2 4.48Å; L93-V128 HydrophobicContact CD1-CG2 3.67Å; L93-V128 HydrophobicContact CG-CG2 3.93Å
94T97.8Very high94Very high30 Ų3057.7 Ų57.718%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-115.9119.1177.1-57.60000109.8V50 K51 N123 F124V50-T94 WeakPolarHBondContact CA-O 3.21Å; K51-T94 PolarHBondContact N-O 3.39Å; K51-T94 PolarHBondContact O-N 2.85Å; T94-N123 HydrophobicContact CG2-CB 3.95Å; T94-F124 CarbonylContact C-O 3.48Å; T94-F124 WeakPolarHBondContact CA-O 3.39Å
95V97.8Very high94.2Very high2 Ų259.5 Ų59.51%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-89.7108.3170.6-174.60000107.7I17 L38 F48 V50 L97 F124 I126I17-V95 HydrophobicContact CD1-CB 3.97Å; I17-V95 HydrophobicContact CD1-CG1 3.95Å; I17-V95 HydrophobicContact CD1-CG2 4.39Å; L38-V95 HydrophobicContact CD1-CG1 4.27Å; L38-V95 HydrophobicContact CD2-CG1 4.48Å; F48-V95 HydrophobicContact CB-CG1 4.39Å; V50-V95 HydrophobicContact CG2-CG2 4.36Å; V95-L97 HydrophobicContact CG1-CD2 3.87Å; V95-L97 HydrophobicContact CG1-CG 4.3Å; V95-F124 PolarHBondContact N-O 2.82Å; V95-F124 PolarHBondContact O-N 2.84Å; V95-I126 HydrophobicContact CG2-CD1 4.22Å
96C97.7Very high94.5Very high3 Ų361 Ų612%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-85.6131.7170.8-59.10000109F48 K49 W113 V121 R122 N123F48-C96 CarbonylContact C-O 3.5Å; F48-C96 WeakPolarHBondContact CA-O 3.08Å; K49-C96 HydrophobicContact CB-CB 4.38Å; K49-C96 PolarHBondContact N-O 2.87Å; K49-C96 PolarHBondContact O-N 2.91Å; C96-W113 HydrophobicContact CB-CH2 4.06Å; C96-W113 HydrophobicContact CB-CZ3 4.47Å; C96-V121 HydrophobicContact CB-CG1 3.88Å; C96-R122 CarbonylContact C-O 3.56Å; C96-R122 WeakPolarHBondContact CA-O 3.28Å; C96-N123 PolarHBondContact SG-OD1 3.12Å
97L97.8Very high94.6Very high0 Ų062.3 Ų62.30%031%0.314CS..EExtended strand (participates in β ladder)trans-121.9140.5179-57.8173.4000110.2L12 V15 I17 I46 G47 F48 V95 V121 R122L12-L97 HydrophobicContact CD2-CB 3.97Å; V15-L97 HydrophobicContact CB-CD1 3.82Å; V15-L97 HydrophobicContact CG1-CD1 3.72Å; V15-L97 HydrophobicContact CG1-CD2 4.4Å; V15-L97 HydrophobicContact CG2-CD1 4.33Å; I17-L97 HydrophobicContact CD1-CD1 4.26Å; I46-L97 HydrophobicContact CG2-CB 4.17Å; I46-L97 HydrophobicContact CG2-CD2 4.14Å; G47-L97 WeakPolarHBondContact O-CA 3.3Å; F48-L97 HydrophobicContact CB-CD2 3.73Å; V95-L97 HydrophobicContact CG1-CD2 3.87Å; V95-L97 HydrophobicContact CG1-CG 4.3Å; L97-V121 CarbonylContact O-C 3.54Å; L97-V121 VanDerWaalsContact O-CA 3.29Å; L97-V121 WeakPolarHBondContact O-CA 3.44Å; L97-R122 HydrophobicContact CB-CB 4.33Å; L97-R122 PolarHBondContact N-O 2.97Å; L97-R122 PolarHBondContact O-N 3.29Å
98C96.9Very high94.8Very high0 Ų066 Ų660%033%0.327CS..EExtended strand (participates in β ladder)trans-147.6160.7170.571.20000110.7I46 G47 F112 W113 P118 I120 V121I46-C98 CarbonylContact C-O 3.56Å; I46-C98 WeakPolarHBondContact CA-O 3.36Å; I46-C98 WeakPolarHBondContact CG2-O 3.29Å; G47-C98 PolarHBondContact N-O 2.89Å; G47-C98 PolarHBondContact O-N 2.91Å; C98-F112 VanDerWaalsContact SG-CE1 3.5Å; C98-W113 HydrophobicContact CB-CH2 4.13Å; C98-P118 HydrophobicContact CB-CB 3.6Å; C98-P118 HydrophobicContact CB-CG 3.83Å; C98-P118 VanDerWaalsContact SG-CG 3.58Å; C98-I120 WeakPolarHBondContact CB-O 3.14Å; C98-V121 HydrophobicContact CB-CG2 4.43Å
99I95.8Very high94.9Very high12 Ų1263.8 Ų63.86%0.06232%0.317CS..EExtended strand (participates in β ladder)trans-76.6135.8172-67.1172.9000108.6E8 L11 L12 R44 I46 P101E8-I99 HydrophobicContact CB-CD1 3.67Å; E8-I99 HydrophobicContact CG-CD1 3.6Å; L11-I99 HydrophobicContact CB-CD1 4.14Å; L11-I99 HydrophobicContact CD1-CD1 3.86Å; L12-I99 HydrophobicContact CD2-CG1 4.13Å; L12-I99 HydrophobicContact CG-CG1 4.28Å; R44-I99 VanDerWaalsContact NH2-CG2 3.31Å; I46-I99 HydrophobicContact CD1-CG1 3.74Å; I99-P101 WeakPolarHBondContact O-CD 3.34Å
100V95.1Very high94.9Very high2 Ų258.1 Ų58.11%0.01230%0.296CS..PPolyproline II helixtrans-84.6123.6172.8-174.40000108.1M45 G47 V66 K104 E105M45-V100 HydrophobicContact CB-CB 4.17Å; M45-V100 HydrophobicContact CB-CG2 4.49Å; M45-V100 HydrophobicContact CG-CB 4.05Å; M45-V100 HydrophobicContact CG-CG2 3.99Å; M45-V100 PolarHBondContact O-N 3.44Å; M45-V100 HydrophobicContact SD-CB 4.34Å; M45-V100 HydrophobicContact SD-CG1 4.33Å; M45-V100 HydrophobicContact SD-CG2 4.5Å; G47-V100 VanDerWaalsContact N-CG2 3.34Å; V66-V100 HydrophobicContact CG2-CG2 4.41Å; V100-K104 HydrophobicContact CG1-CB 4.23Å; V100-E105 HydrophobicContact CG1-CG 4.28Å
101P92.9Very high95.1Very high60 Ų6056 Ų5639%0.3928%0.281SS..PPolyproline II helixtrans-62.4144.1171.8-21.433.2000110.9I99 S103 K104I99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-S103 PolarHBondContact O-N 3.2Å; P101-S103 VanDerWaalsContact O-N 3.09Å; P101-K104 HydrophobicContact CB-CG 4.49Å; P101-K104 PolarHBondContact O-N 2.95Å
102Y91.5Very high95Very high159 Ų15955.7 Ų55.762%0.62428%0.279SS*.G310 helixtrans-53-35.8-179.5-68.4-69.3000113.3R44 K104 E105R44-Y102 WeakPolarHBondContact CD-OH 3.47Å; R44-Y102 PolarHBondContact NE-OH 3.14Å; Y102-K104 PolarHBondContact O-N 3.08Å; Y102-K104 VanDerWaalsContact O-N 3.14Å; Y102-E105 VanDerWaalsContact CD1-OE1 3.26Å; Y102-E105 WeakPolarHBondContact CD1-OE1 3.38Å
103S92.7Very high94.9Very high102 Ų10249.7 Ų49.771%0.71326%0.257SS*.G310 helixtrans-68.5-8.6177.960.70000114.8P101P101-S103 PolarHBondContact O-N 3.2Å; P101-S103 VanDerWaalsContact O-N 3.09Å
104K92.4Very high94.7Very high83 Ų8357.5 Ų57.536%0.36129%0.291SS..G310 helixtrans-122.25.8-174.3-58.2-61.5-178.6-176.50113.7V100 P101 Y102 N106 M107 F112V100-K104 HydrophobicContact CG1-CB 4.23Å; P101-K104 HydrophobicContact CB-CG 4.49Å; P101-K104 PolarHBondContact O-N 2.95Å; Y102-K104 PolarHBondContact O-N 3.08Å; Y102-K104 VanDerWaalsContact O-N 3.14Å; K104-N106 PolarHBondContact O-N 3.31Å; K104-M107 HydrophobicContact CB-CB 4.49Å; K104-M107 HydrophobicContact CD-SD 3.97Å; K104-M107 WeakPolarHBondContact O-CB 3.37Å; K104-M107 PolarHBondContact O-N 2.97Å; K104-F112 HydrophobicContact CB-CD2 4.19Å; K104-F112 HydrophobicContact CB-CE2 4.46Å
105E91Very high94.4Very high68 Ų6860.3 Ų60.332%0.31831%0.308SS..THydrogen-bonded Turntrans-61.2-30.7-177.3-66.7-170.9165.700113.7M45 V100 Y102 M107M45-E105 HydrophobicContact CE-CB 3.87Å; M45-E105 HydrophobicContact CE-CG 3.9Å; M45-E105 HydrophobicContact SD-CB 3.73Å; M45-E105 HydrophobicContact SD-CG 3.67Å; V100-E105 HydrophobicContact CG1-CG 4.28Å; Y102-E105 VanDerWaalsContact CD1-OE1 3.26Å; Y102-E105 WeakPolarHBondContact CD1-OE1 3.38Å; E105-M107 VanDerWaalsContact C-N 3.31Å
106N92.3Very high94Very high172 Ų17261.7 Ų61.792%0.9232%0.317SS*.THydrogen-bonded Turntrans-86.50.4177.8-63.7-45000113.6K104K104-N106 PolarHBondContact O-N 3.31Å
107M94.1Very high93.6Very high50 Ų5068.2 Ų68.225%0.24636%0.357CS..SBendtrans-79.1138.3-178.7-167.9167-170.100110.9K104 E105 T111 F112 T115K104-M107 HydrophobicContact CB-CB 4.49Å; K104-M107 HydrophobicContact CD-SD 3.97Å; K104-M107 WeakPolarHBondContact O-CB 3.37Å; K104-M107 PolarHBondContact O-N 2.97Å; E105-M107 VanDerWaalsContact C-N 3.31Å; M107-T111 HydrophobicContact CE-CG2 3.32Å; M107-F112 HydrophobicContact CG-CB 4.23Å; M107-F112 HydrophobicContact SD-CB 4.15Å; M107-T115 HydrophobicContact CE-CG2 4.27Å; M107-T115 WeakPolarHBondContact CE-OG1 3.34Å
108K95.1Very high93.2Very high145 Ų14569.7 Ų69.763%0.6337%0.367SS*.  trans-56.1130.9173.6-174.1177.7179.6172.70109.8S110 T111 F112K108-S110 VanDerWaalsContact C-N 3.28Å; K108-S110 WeakPolarHBondContact CD-OG 3.35Å; K108-S110 WeakPolarHBondContact CE-OG 3.35Å; K108-S110 PolarHBondContact O-N 3.4Å; K108-S110 VanDerWaalsContact O-N 3.15Å; K108-T111 PolarHBondContact O-N 2.9Å; K108-F112 PolarHBondContact O-N 2.82Å
109P94.5Very high92.7Very high34 Ų3475.6 Ų75.622%0.22141%0.408CS..Hα-helixtrans-55.4-40.5-174-27.833.7000113.5V66 T111 F112 W113V66-P109 HydrophobicContact CG2-CB 4.41Å; V66-P109 HydrophobicContact CG2-CG 3.99Å; P109-T111 VanDerWaalsContact C-N 3.28Å; P109-T111 PolarHBondContact O-N 3Å; P109-F112 PolarHBondContact O-N 2.92Å; P109-W113 PolarHBondContact O-N 3.15Å; P109-W113 VanDerWaalsContact O-N 3.08Å
110S95Very high92.6Very high27 Ų2776.2 Ų76.219%0.18941%0.412CS..Hα-helixtrans-62.4-35.1177.360.20000113.2K108 K114K108-S110 VanDerWaalsContact C-N 3.28Å; K108-S110 WeakPolarHBondContact CD-OG 3.35Å; K108-S110 WeakPolarHBondContact CE-OG 3.35Å; K108-S110 PolarHBondContact O-N 3.4Å; K108-S110 VanDerWaalsContact O-N 3.15Å; S110-K114 WeakPolarHBondContact O-CD 3.44Å; S110-K114 WeakPolarHBondContact O-CG 3.19Å; S110-K114 PolarHBondContact O-N 2.84Å
111T95.4Very high92.6Very high56 Ų5678.8 Ų78.834%0.34443%0.427SS..Hα-helixtrans-76.6-45.1-179.9-46.30000109.2M107 K108 P109 W113 K114 T115M107-T111 HydrophobicContact CE-CG2 3.32Å; K108-T111 PolarHBondContact O-N 2.9Å; P109-T111 VanDerWaalsContact C-N 3.28Å; P109-T111 PolarHBondContact O-N 3Å; T111-W113 VanDerWaalsContact C-N 3.32Å; T111-W113 PolarHBondContact O-N 3.36Å; T111-K114 PolarHBondContact O-N 2.77Å; T111-T115 HydrophobicContact CG2-CG2 4Å; T111-T115 PolarHBondContact O-N 2.86Å; T111-T115 PolarHBondContact O-OG1 3.08Å
112F95.1Very high92.8Very high7 Ų779 Ų793%0.03142%0.42CS..Hα-helixtrans-49.6-51.7173.8169.5-98.7000111.6C98 K104 M107 K108 P109 K114 T115 C116 P118C98-F112 VanDerWaalsContact SG-CE1 3.5Å; K104-F112 HydrophobicContact CB-CD2 4.19Å; K104-F112 HydrophobicContact CB-CE2 4.46Å; M107-F112 HydrophobicContact CG-CB 4.23Å; M107-F112 HydrophobicContact SD-CB 4.15Å; K108-F112 PolarHBondContact O-N 2.82Å; P109-F112 PolarHBondContact O-N 2.92Å; F112-K114 PolarHBondContact O-N 2.84Å; F112-T115 PolarHBondContact O-N 3.09Å; F112-C116 HydrophobicContact CD2-CB 3.91Å; F112-C116 HydrophobicContact CE2-CB 3.86Å; F112-C116 HydrophobicContact CZ-CB 4.49Å; F112-C116 WeakPolarHBondContact O-CA 3.41Å; F112-C116 VanDerWaalsContact O-CB 3.22Å; F112-C116 WeakPolarHBondContact O-CB 3.48Å; F112-C116 PolarHBondContact O-N 2.94Å; F112-P118 HydrophobicContact CE1-CG 4.45Å; F112-P118 HydrophobicContact CZ-CG 4.27Å
113W94.1Very high93Very high31 Ų3176.2 Ų76.212%0.11742%0.416CS..Hα-helixtrans-70.1-11.4179.5-77.6108.2000115.6F48 K49 Y64 C96 C98 P109 T111 P118F48-W113 VanDerWaalsContact C-NE1 3.29Å; F48-W113 PolarHBondContact O-NE1 2.9Å; K49-W113 HydrophobicContact CB-CD2 3.79Å; K49-W113 HydrophobicContact CB-CE3 4.2Å; K49-W113 HydrophobicContact CB-CG 4.16Å; K49-W113 HydrophobicContact CB-CH2 4.37Å; K49-W113 HydrophobicContact CB-CZ2 3.96Å; K49-W113 HydrophobicContact CB-CZ3 4.47Å; K49-W113 HydrophobicContact CD-CD2 4.37Å; K49-W113 HydrophobicContact CD-CE3 4.31Å; Y64-W113 HydrophobicContact CD1-CB 3.76Å; Y64-W113 AromaticContact CD1-CD1 3.57Å; Y64-W113 AromaticContact CD1-CG 3.77Å; Y64-W113 HydrophobicContact CD1-CG 3.77Å; Y64-W113 HydrophobicContact CE1-CB 3.86Å; Y64-W113 HydrophobicContact CE1-CG 4.25Å; C96-W113 HydrophobicContact CB-CH2 4.06Å; C96-W113 HydrophobicContact CB-CZ3 4.47Å; C98-W113 HydrophobicContact CB-CH2 4.13Å; P109-W113 PolarHBondContact O-N 3.15Å; P109-W113 VanDerWaalsContact O-N 3.08Å; T111-W113 VanDerWaalsContact C-N 3.32Å; T111-W113 PolarHBondContact O-N 3.36Å; W113-P118 HydrophobicContact CZ3-CG 4.07Å
114K93.1Very high93.3Very high165 Ų16573.3 Ų73.372%0.71739%0.391SS*.Hα-helixtrans-97.6-31.9176.8-75.5176.3-179.7-171.40112.4S110 T111 F112S110-K114 WeakPolarHBondContact O-CD 3.44Å; S110-K114 WeakPolarHBondContact O-CG 3.19Å; S110-K114 PolarHBondContact O-N 2.84Å; T111-K114 PolarHBondContact O-N 2.77Å; F112-K114 PolarHBondContact O-N 2.84Å
115T92.9Very high93.5Very high88 Ų8872.7 Ų72.754%0.5439%0.394SS..Hα-helixtrans-105.1-25-173.760.50000113.3M107 T111 F112M107-T115 HydrophobicContact CE-CG2 4.27Å; M107-T115 WeakPolarHBondContact CE-OG1 3.34Å; T111-T115 HydrophobicContact CG2-CG2 4Å; T111-T115 PolarHBondContact O-N 2.86Å; T111-T115 PolarHBondContact O-OG1 3.08Å; F112-T115 PolarHBondContact O-N 3.09Å
116C88.7Confident93.8Very high31 Ų3169.5 Ų69.521%0.20938%0.379CS..  trans-106.6132.5179.9-58.80000108.9F112 P118F112-C116 HydrophobicContact CD2-CB 3.91Å; F112-C116 HydrophobicContact CE2-CB 3.86Å; F112-C116 HydrophobicContact CZ-CB 4.49Å; F112-C116 WeakPolarHBondContact O-CA 3.41Å; F112-C116 VanDerWaalsContact O-CB 3.22Å; F112-C116 WeakPolarHBondContact O-CB 3.48Å; F112-C116 PolarHBondContact O-N 2.94Å; C116-P118 WeakPolarHBondContact O-CD 3.24Å
117T89Confident94.1Very high140 Ų14066.3 Ų66.386%0.85936%0.358SS*.  trans-102.6100.7169-56.70000107.2S119T117-S119 PolarHBondContact O-N 3.03Å
118P89.4Confident94.2Very high31 Ų3163.9 Ų63.920%0.20135%0.347CS..  trans-62.9137.5179.4-1831.1000110.4C98 F112 W113 C116 I120 V121C98-P118 HydrophobicContact CB-CB 3.6Å; C98-P118 HydrophobicContact CB-CG 3.83Å; C98-P118 VanDerWaalsContact SG-CG 3.58Å; F112-P118 HydrophobicContact CE1-CG 4.45Å; F112-P118 HydrophobicContact CZ-CG 4.27Å; W113-P118 HydrophobicContact CZ3-CG 4.07Å; C116-P118 WeakPolarHBondContact O-CD 3.24Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 2.65Å; P118-V121 HydrophobicContact CB-CG2 3.95Å; P118-V121 HydrophobicContact CG-CG2 4.28Å
119S86.9Confident94.3Very high125 Ų12560.2 Ų60.287%0.87433%0.332SS*.SBendtrans-65.7-34.7179.5-540000112.5T117T117-S119 PolarHBondContact O-N 3.03Å
120I93.4Very high94.3Very high25 Ų2559.5 Ų59.513%0.12833%0.325CS..  trans-125.6126.7179.8-59.5177.6000108.5A5 E8 R9 L12 C98 P118A5-I120 HydrophobicContact CB-CD1 3.83Å; A5-I120 WeakPolarHBondContact O-CD1 3.49Å; E8-I120 HydrophobicContact CB-CD1 3.97Å; R9-I120 HydrophobicContact CG-CD1 4.26Å; R9-I120 HydrophobicContact CG-CG2 3.72Å; L12-I120 HydrophobicContact CD1-CG2 3.87Å; C98-I120 WeakPolarHBondContact CB-O 3.14Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 2.65Å
121V95.9Very high94.3Very high56 Ų5660.1 Ų60.134%0.33933%0.326SS..  trans-129.8127176.1-179.20000108.7C96 L97 C98 P118C96-V121 HydrophobicContact CB-CG1 3.88Å; L97-V121 CarbonylContact O-C 3.54Å; L97-V121 VanDerWaalsContact O-CA 3.29Å; L97-V121 WeakPolarHBondContact O-CA 3.44Å; C98-V121 HydrophobicContact CB-CG2 4.43Å; P118-V121 HydrophobicContact CB-CG2 3.95Å; P118-V121 HydrophobicContact CG-CG2 4.28Å
122R96.3Very high94.1Very high64 Ų6462.1 Ų62.124%0.24234%0.34CS..EExtended strand (participates in β ladder)trans-94.1126.5168.9-177.3-175.6-174.6-153.56.5108.8L12 N13 V15 C96 L97L12-R122 HydrophobicContact CB-CB 3.93Å; L12-R122 HydrophobicContact CD1-CB 4.19Å; L12-R122 WeakPolarHBondContact O-CD 3.33Å; L12-R122 PolarHBondContact O-NH1 2.95Å; N13-R122 VanDerWaalsContact C-NH1 3.33Å; N13-R122 VanDerWaalsContact CA-CZ 3.43Å; N13-R122 VanDerWaalsContact CA-NH1 3.27Å; N13-R122 PolarHBondContact O-NH1 3.43Å; N13-R122 PolarHBondContact O-NH2 2.99Å; N13-R122 WeakPolarHBondContact OD1-CD 3.38Å; N13-R122 PolarHBondContact OD1-NE 3.13Å; V15-R122 PolarHBondContact O-NH1 3.24Å; C96-R122 CarbonylContact C-O 3.56Å; C96-R122 WeakPolarHBondContact CA-O 3.28Å; L97-R122 HydrophobicContact CB-CB 4.33Å; L97-R122 PolarHBondContact N-O 2.97Å; L97-R122 PolarHBondContact O-N 3.29Å
123N96.9Very high94Very high100 Ų10064.2 Ų64.254%0.53536%0.359SS..EExtended strand (participates in β ladder)trans-102.7130.9175-64.4-36.2000109.6T94 C96T94-N123 HydrophobicContact CG2-CB 3.95Å; C96-N123 PolarHBondContact SG-OD1 3.12Å
124F96.9Very high93.8Very high42 Ų4265.6 Ų65.618%0.18437%0.368CS..EExtended strand (participates in β ladder)trans-121.4120.2171.8-174.8-82.9000109.2I17 C19 K20 T94 V95 I126I17-F124 HydrophobicContact CB-CD1 4.07Å; I17-F124 HydrophobicContact CB-CE1 3.94Å; I17-F124 HydrophobicContact CB-CE2 4.43Å; I17-F124 HydrophobicContact CB-CG 4.38Å; I17-F124 HydrophobicContact CB-CZ 4.11Å; I17-F124 HydrophobicContact CD1-CB 3.57Å; I17-F124 HydrophobicContact CD1-CD1 3.75Å; I17-F124 HydrophobicContact CD1-CD2 4.22Å; I17-F124 HydrophobicContact CD1-CE1 4.49Å; I17-F124 HydrophobicContact CD1-CG 3.59Å; I17-F124 HydrophobicContact CG1-CD1 4.46Å; I17-F124 HydrophobicContact CG1-CG 4.43Å; I17-F124 HydrophobicContact CG2-CD1 3.78Å; I17-F124 HydrophobicContact CG2-CE1 3.6Å; I17-F124 HydrophobicContact CG2-CZ 4.22Å; C19-F124 VanDerWaalsContact O-CE1 3.3Å; C19-F124 WeakPolarHBondContact O-CE1 3.33Å; K20-F124 HydrophobicContact CG-CZ 4.19Å; T94-F124 CarbonylContact C-O 3.48Å; T94-F124 WeakPolarHBondContact CA-O 3.39Å; V95-F124 PolarHBondContact N-O 2.82Å; V95-F124 PolarHBondContact O-N 2.84Å; F124-I126 HydrophobicContact CD1-CD1 4.46Å; F124-I126 HydrophobicContact CD1-CG1 3.89Å; F124-I126 HydrophobicContact CE1-CD1 4.39Å; F124-I126 HydrophobicContact CE1-CG1 3.72Å
125T97.5Very high93.7Very high70 Ų7060.7 Ų60.743%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-98.4133.5-177.3-58.90000110.6R92 L93R92-T125 HydrophobicContact CB-CG2 4.01Å; R92-T125 HydrophobicContact CG-CG2 4.11Å; L93-T125 CarbonylContact O-C 3.46Å; L93-T125 WeakPolarHBondContact O-CA 3.5Å
126I97.6Very high93.5Very high0 Ų058.3 Ų58.30%034%0.34CS..EExtended strand (participates in β ladder)trans-113.8125.2175-61.6172.3000106.7I17 C19 K20 L22 I36 R92 L93 V95 F124I17-I126 HydrophobicContact CG2-CD1 4.12Å; C19-I126 HydrophobicContact CB-CD1 4.5Å; K20-I126 WeakPolarHBondContact O-CA 3.49Å; L22-I126 HydrophobicContact CD1-CG2 4.26Å; L22-I126 HydrophobicContact CG-CG2 4.05Å; I36-I126 HydrophobicContact CD1-CD1 3.42Å; I36-I126 VanDerWaalsContact CD1-CD1 3.42Å; I36-I126 HydrophobicContact CG1-CD1 4.18Å; I36-I126 HydrophobicContact CG2-CD1 4.17Å; R92-I126 WeakPolarHBondContact CA-O 3.37Å; L93-I126 HydrophobicContact CB-CB 4.23Å; L93-I126 PolarHBondContact N-O 2.81Å; L93-I126 PolarHBondContact O-N 2.94Å; V95-I126 HydrophobicContact CG2-CD1 4.22Å; F124-I126 HydrophobicContact CD1-CD1 4.46Å; F124-I126 HydrophobicContact CD1-CG1 3.89Å; F124-I126 HydrophobicContact CE1-CD1 4.39Å; F124-I126 HydrophobicContact CE1-CG1 3.72Å
127E97.5Very high93.3Very high105 Ų10562.2 Ų62.249%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-76.3138.6177-64.3-179.9167.400110.1K20 K21 L22K20-E127 PolarHBondContact O-N 3.26Å; K21-E127 CarbonylContact C-O 3.54Å; K21-E127 VanDerWaalsContact CA-O 3.27Å; K21-E127 WeakPolarHBondContact CA-O 3.36Å; K21-E127 HydrophobicContact CG-CB 4.4Å; L22-E127 PolarHBondContact N-O 2.83Å
128V97.4Very high93Very high0 Ų059 Ų590%035%0.345CS..EExtended strand (participates in β ladder)trans-117.8117.3175.6-175.20000108.2L22 F24 L58 D91 L93 Y130L22-V128 WeakPolarHBondContact O-CA 3.44Å; F24-V128 HydrophobicContact CD2-CG1 3.82Å; F24-V128 HydrophobicContact CE2-CG1 4.19Å; L58-V128 HydrophobicContact CD1-CB 4.49Å; L58-V128 HydrophobicContact CD1-CG1 4.18Å; L58-V128 HydrophobicContact CD1-CG2 4.26Å; D91-V128 HydrophobicContact CB-CB 3.97Å; D91-V128 PolarHBondContact N-O 2.86Å; D91-V128 PolarHBondContact O-N 3.34Å; L93-V128 HydrophobicContact CB-CG2 4.48Å; L93-V128 HydrophobicContact CD1-CG2 3.67Å; L93-V128 HydrophobicContact CG-CG2 3.93Å; V128-Y130 HydrophobicContact CG1-CE1 3.93Å
129E96.2Very high92.5Very high67 Ų6761 Ų6131%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-114.2156.4177.1-74.7-176-164.400111.5K21 L22 K23 F24K21-E129 WeakPolarHBondContact CE-OE1 3.45Å; K21-E129 WeakPolarHBondContact CE-OE2 3.44Å; K21-E129 IonicContact NZ-OE1 3.85Å; K21-E129 PolarHBondContact NZ-OE1 2.76Å; K21-E129 IonicContact NZ-OE2 2.65Å; K21-E129 PolarHBondContact NZ-OE2 3.32Å; L22-E129 PolarHBondContact O-N 3.3Å; K23-E129 WeakPolarHBondContact CA-O 3.16Å; F24-E129 PolarHBondContact N-O 2.9Å
130Y96.1Very high92Very high19 Ų1959.5 Ų59.58%0.07535%0.353CS..EExtended strand (participates in β ladder)trans-118.2138.1-177-57.6-65.5000110.2F24 P26 F79 F86 K89 D91 V128F24-Y130 HydrophobicContact CB-CD1 4.12Å; F24-Y130 HydrophobicContact CB-CE1 4.27Å; F24-Y130 CarbonylContact O-C 3.48Å; F24-Y130 VanDerWaalsContact O-CA 3.3Å; F24-Y130 WeakPolarHBondContact O-CA 3.28Å; P26-Y130 HydrophobicContact CG-CD1 4.1Å; P26-Y130 HydrophobicContact CG-CG 4.33Å; F79-Y130 AromaticContact CD2-CE1 3.78Å; F79-Y130 HydrophobicContact CD2-CE1 3.78Å; F79-Y130 HydrophobicContact CE2-CD1 4.14Å; F79-Y130 AromaticContact CE2-CE1 3.32Å; F79-Y130 HydrophobicContact CE2-CE1 3.32Å; F79-Y130 AromaticContact CE2-CZ 3.88Å; F79-Y130 HydrophobicContact CZ-CD1 4.26Å; F79-Y130 AromaticContact CZ-CE1 3.87Å; F79-Y130 HydrophobicContact CZ-CE1 3.87Å; F86-Y130 HydrophobicContact CE1-CD1 4.12Å; F86-Y130 HydrophobicContact CE1-CD2 4.02Å; F86-Y130 HydrophobicContact CE1-CE2 4.48Å; F86-Y130 AromaticContact CE1-CG 3.81Å; F86-Y130 HydrophobicContact CE1-CG 3.81Å; F86-Y130 AromaticContact CZ-CD1 3.84Å; F86-Y130 HydrophobicContact CZ-CD1 3.84Å; F86-Y130 AromaticContact CZ-CD2 3.75Å; F86-Y130 HydrophobicContact CZ-CD2 3.75Å; F86-Y130 AromaticContact CZ-CE1 3.86Å; F86-Y130 HydrophobicContact CZ-CE1 3.86Å; F86-Y130 AromaticContact CZ-CE2 3.75Å; F86-Y130 HydrophobicContact CZ-CE2 3.75Å; F86-Y130 AromaticContact CZ-CG 3.78Å; F86-Y130 HydrophobicContact CZ-CG 3.78Å; F86-Y130 AromaticContact CZ-CZ 3.8Å; K89-Y130 VanDerWaalsContact O-CE2 3.28Å; K89-Y130 WeakPolarHBondContact O-CE2 3.37Å; D91-Y130 HydrophobicContact CB-CE2 4.31Å; D91-Y130 WeakPolarHBondContact OD2-CE2 3.41Å; D91-Y130 PolarHBondContact OD2-OH 3.15Å; V128-Y130 HydrophobicContact CG1-CE1 3.93Å
131D93.9Very high90.9Very high40 Ų4068.8 Ų68.821%0.21439%0.387CS..  trans-67.6130.1167.2-157.8-67.7000109.5K23 F24 K25 P26 A133K23-D131 WeakPolarHBondContact CE-OD2 3.39Å; K23-D131 IonicContact NZ-OD2 3.25Å; K23-D131 PolarHBondContact NZ-OD2 3.48Å; F24-D131 PolarHBondContact O-N 2.84Å; K25-D131 HydrophobicContact CB-CB 4.14Å; K25-D131 HydrophobicContact CG-CB 4.06Å; P26-D131 WeakPolarHBondContact CD-O 3.46Å; D131-A133 PolarHBondContact O-N 2.89Å; D131-A133 WeakPolarHBondContact OD1-CB 3.37Å; D131-A133 PolarHBondContact OD1-N 2.77Å
132P92.2Very high89.6Confident98 Ų9874.5 Ų74.564%0.63641%0.41SS*.SBendtrans-64-21.7178.126.2-35000112.9L88 I134L88-P132 HydrophobicContact CD1-CB 4.19Å; P132-I134 PolarHBondContact O-N 2.94Å; P132-I134 VanDerWaalsContact O-N 3.12Å
133A91.8Very high88.4Confident52 Ų5276.8 Ų76.843%0.4343%0.432SS..SBendtrans-79.491.3174.900000111.2K25 D131K25-A133 WeakPolarHBondContact CE-O 3.41Å; K25-A133 WeakPolarHBondContact CG-O 3.08Å; D131-A133 PolarHBondContact O-N 2.89Å; D131-A133 WeakPolarHBondContact OD1-CB 3.37Å; D131-A133 PolarHBondContact OD1-N 2.77Å
134I89.7Confident87.3Confident59 Ų5977.4 Ų77.430%0.30344%0.442SS..  trans-70129.5173-56.3-179.9000109.8P26 Y28 L82 F86 P132P26-I134 HydrophobicContact CB-CG1 4.29Å; P26-I134 HydrophobicContact CB-CG2 4.41Å; Y28-I134 HydrophobicContact CD2-CG2 3.86Å; Y28-I134 HydrophobicContact CE2-CG2 3.47Å; Y28-I134 VanDerWaalsContact CE2-CG2 3.47Å; L82-I134 HydrophobicContact CD1-CD1 4.37Å; L82-I134 HydrophobicContact CD1-CG2 3.72Å; F86-I134 HydrophobicContact CD1-CD1 4.47Å; P132-I134 PolarHBondContact O-N 2.94Å; P132-I134 VanDerWaalsContact O-N 3.12Å
135E91.5Very high86.5Confident63 Ų6380.7 Ų80.729%0.29447%0.468SS..BIsolated β-bridgetrans-98.1128.4-174.7-176.8-177.3151.900113.1K25 P26 S27 Y28 R32K25-E135 IonicContact NZ-OE2 2.82Å; K25-E135 PolarHBondContact NZ-OE2 3.05Å; P26-E135 PolarHBondContact O-N 2.98Å; S27-E135 CarbonylContact C-O 3.57Å; S27-E135 WeakPolarHBondContact CA-O 3.16Å; S27-E135 WeakPolarHBondContact CB-O 3.33Å; S27-E135 PolarHBondContact OG-O 3.21Å; Y28-E135 PolarHBondContact N-O 3.08Å; R32-E135 IonicContact NH2-OE1 3.24Å; R32-E135 PolarHBondContact NH2-OE1 3.19Å; R32-E135 IonicContact NH2-OE2 3.3Å; R32-E135 PolarHBondContact NH2-OE2 3.36Å
136G88.3Confident85.6Confident38 Ų3882.8 Ų82.839%0.39248%0.483SS..SBendtrans96.2172.1174.800000113.6Y28Y28-G136 WeakPolarHBondContact CD2-O 3.25Å
137T84.4Confident84.7Confident113 Ų11388.2 Ų88.269%0.69352%0.518SS*.PPolyproline II helixtrans-90.6134.7-177.8-48.50000109.9Y28Y28-T137 VanDerWaalsContact CB-O 3.25Å; Y28-T137 WeakPolarHBondContact CB-O 3.44Å
138P82.5Confident83.8Confident73 Ų7388.7 Ų88.747%0.47453%0.53SS..PPolyproline II helixtrans-54.3143.3172-22.931.5000111.3Y28 A140Y28-P138 HydrophobicContact CD1-CB 4.29Å; Y28-P138 HydrophobicContact CD2-CG 4.27Å; Y28-P138 HydrophobicContact CE1-CB 3.98Å; Y28-P138 HydrophobicContact CE1-CG 4.26Å; Y28-P138 HydrophobicContact CE2-CB 4.35Å; Y28-P138 HydrophobicContact CE2-CG 3.78Å; P138-A140 PolarHBondContact O-N 3.46Å
139P79.4Confident82.7Confident71 Ų7193.6 Ų93.646%0.46156%0.562SS.*PPolyproline II helixtrans-57.8141.8170.626.5-33.2000109R141P139-R141 PolarHBondContact O-N 3.21Å
140A76.9Confident81.3Confident95 Ų9596.6 Ų96.679%0.78559%0.587SS**PPolyproline II helixtrans-54.4128.317200000108.4P138 E142P138-A140 PolarHBondContact O-N 3.46Å; A140-E142 PolarHBondContact O-N 3.02Å
141R70.7Confident79.4Confident220 Ų220102.8 Ų102.883%0.8363%0.627SS**  trans-58.5114.6170.4-97.5-176.7176.3-1781.2106.6P139P139-R141 PolarHBondContact O-N 3.21Å
142E68.9Low77.8Confident176 Ų176103.4 Ų103.482%0.82264%0.643SS**PPolyproline II helixtrans-57.1130.6169.2-70.7-177.2175.900107.4A140A140-E142 PolarHBondContact O-N 3.02Å
143P69.9Low76.2Confident111 Ų111104.4 Ų104.472%0.72165%0.65SS**PPolyproline II helixtrans-56.6144175.222.9-30.5000108.5
144P74.5Confident74.4Confident113 Ų113107.9 Ų107.973%0.73467%0.668SS**PPolyproline II helixtrans-52.9140.3177.623.3-32.6000109
145P79Confident72.7Confident112 Ų112114.6 Ų114.673%0.72769%0.694SS**PPolyproline II helixtrans-54.6142.9177.223.1-32.4000109
146P79.9Confident70.6Confident114 Ų114121.3 Ų121.374%0.7472%0.723SS**PPolyproline II helixtrans-55.1145179.122.8-32.1000109.6
147P78.6Confident68.8Low114 Ų114126.3 Ų126.374%0.7474%0.739SS**PPolyproline II helixtrans-54.2142.3177.523-32.1000109.3
148P77.6Confident66.8Low114 Ų114130 Ų13074%0.7475%0.746SS**PPolyproline II helixtrans-54.5141.4176.523.4-32.2000109.2
149P73.7Confident65.2Low103 Ų103135 Ų13567%0.66976%0.762SS**PPolyproline II helixtrans-55.9141.4-179.222.5-32000109.6T151P149-T151 PolarHBondContact O-N 2.86Å
150P67.7Low63.7Low130 Ų130140 Ų14084%0.84478%0.78SS**  trans-62102.8-178.824-31.7000109.6G152P150-G152 VanDerWaalsContact C-N 3.28Å; P150-G152 PolarHBondContact O-N 3.13Å; P150-G152 VanDerWaalsContact O-N 3.13Å
151T55.4Low62.4Low149 Ų149144.8 Ų144.891%0.91479%0.786SS**  trans-8277.9167.638.80000108.5P149P149-T151 PolarHBondContact O-N 2.86Å
152G60.8Low61.6Low53 Ų53143.2 Ų143.255%0.54679%0.788SS.*SBendtrans-158.5127.7173.100000110.8P150P150-G152 VanDerWaalsContact C-N 3.28Å; P150-G152 PolarHBondContact O-N 3.13Å; P150-G152 VanDerWaalsContact O-N 3.13Å
153P59Low60.8Low120 Ų120142.7 Ų142.778%0.77979%0.791SS**  trans-65.3145.8176.628.3-31.7000109.6K155P153-K155 PolarHBondContact O-N 3.08Å; P153-K155 VanDerWaalsContact O-N 3.12Å
154P53.8Low60.1Low125 Ų125146.7 Ų146.781%0.81280%0.8SS**  trans-64.2116.9-179.825-30.8000109.7K156P154-K156 PolarHBondContact O-N 3.12Å; P154-K156 VanDerWaalsContact O-N 3.08Å
155K53.5Low59.3Low199 Ų199150.6 Ų150.687%0.86581%0.808SS**  trans-64.4104.9161.1-88.6-179172.4-178.70107.1P153 I157P153-K155 PolarHBondContact O-N 3.08Å; P153-K155 VanDerWaalsContact O-N 3.12Å; K155-I157 PolarHBondContact O-N 3.06Å
156K47.8Very low57.9Low204 Ų204154.6 Ų154.689%0.88782%0.817SS**  trans-60.3105.1161.5-91.5-178.5172-177.30107.7P154P154-K156 PolarHBondContact O-N 3.12Å; P154-K156 VanDerWaalsContact O-N 3.08Å
157I50Low56.9Low143 Ų143154.1 Ų154.173%0.73382%0.823SS**  trans-80.8119.4157.6-61.4174000104.8K155 E159K155-I157 PolarHBondContact O-N 3.06Å; I157-E159 HydrophobicContact CG2-CG 4.23Å
158K43.8Very low55.8Low192 Ų192154.3 Ų154.384%0.83583%0.827SS**  trans-91.6102.3173-137.5-175.3178.5-162.60104.3
159E49.2Very low54.4Low176 Ų176161.9 Ų161.982%0.82285%0.852SS**  trans-82121.2166.4-78.9173.1165.700106.8I157I157-E159 HydrophobicContact CG2-CG 4.23Å
160E47.5Very low53.4Low177 Ų177164.8 Ų164.883%0.82786%0.861SS**  trans-81.2111.4168.1-72.7172.3159.600106.3E162E160-E162 PolarHBondContact O-N 3.5Å
161E49.2Very low52.6Low195 Ų195166.6 Ų166.691%0.91186%0.862SS**  trans-76.4110.6163.5-94.1171.6152.600107.3
162E54Low52.5Low188 Ų188167.6 Ų167.688%0.87986%0.859SS**PPolyproline II helixtrans-79.1130.4163.5-81.5179151.400108.9E160E160-E162 PolarHBondContact O-N 3.5Å
163D52.3Low52Low164 Ų164174.4 Ų174.488%0.87788%0.878SS**PPolyproline II helixtrans-54.9129.6178.7-68.8-68000113.2
164E55.8Low51.6Low195 Ų195177.8 Ų177.891%0.91188%0.884SS**PPolyproline II helixtrans-88.2118.5160.9-79.3-172.9157.700109.5E166E164-E166 PolarHBondContact O-N 3.48Å
165E56.6Low51.4Low195 Ų195181.3 Ų181.391%0.91189%0.889SS**PPolyproline II helixtrans-65.3121.2171.6-71.5-178.5149.500111.5
166E50.3Low51.3Low197 Ų197180 Ų18092%0.92189%0.891SS**PPolyproline II helixtrans-75.3117.8157.6-91.1-170.1154.700109.9E164E164-E166 PolarHBondContact O-N 3.48Å
167A58.2Low51.5Low104 Ų104178.2 Ų178.286%0.8689%0.891SS**  trans-158.3100.3150.400000110.6
168S55Low51.7Low117 Ų117181.1 Ų181.182%0.81890%0.904SS**  trans-124.9102.616356.70000108.9
169E48.3Very low52.4Low273 Ų273180.1 Ų180.1100%1.27691%0.91SS**  trans-1790135.7-100.4-175157.800110.6

Retrieved 169 of 169 residues in 177.9 ms (Link to these results)

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