A0A077YWR5_TRITR Loading...

60S ribosomal protein L44

AlphaFold DB , UniProt , Accession A0A077YWR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M80.1Confident94.1Very high150 Ų15090.8 Ų90.874%0.73943%0.431SS*.  0124.90-172.5174109.800108.8E91M1-E91 WeakPolarHBondContact CG-OE1 3.36Å
2V94.1Very high94.3Very high58 Ų5883.3 Ų83.335%0.35240%0.395SS..EExtended strand (participates in β ladder)trans-108.5121175-179.40000108.2V4 C87 H89 F90 E91V2-V4 HydrophobicContact CG1-CG2 4.37Å; V2-C87 HydrophobicContact CB-CB 4.41Å; V2-C87 HydrophobicContact CG2-CB 3.67Å; V2-H89 PolarHBondContact N-O 3.41Å; V2-F90 HydrophobicContact CG1-CD2 4.41Å; V2-F90 WeakPolarHBondContact O-CA 3.41Å; V2-E91 PolarHBondContact O-N 3.1Å
3N94.1Very high94.4Very high56 Ų5682.1 Ų82.130%0.29941%0.408SS..EExtended strand (participates in β ladder)trans-112.3127.6177.8-179.913.9000109.5E91 G93 G94 Q95N3-E91 WeakPolarHBondContact CA-O 3.26Å; N3-G93 PolarHBondContact OD1-N 3.01Å; N3-G94 WeakPolarHBondContact ND2-CA 3.36Å; N3-G94 PolarHBondContact ND2-O 2.69Å; N3-G94 PolarHBondContact OD1-N 3.17Å; N3-Q95 PolarHBondContact ND2-O 2.87Å
4V94.1Very high94.3Very high22 Ų2277.3 Ų77.313%0.13339%0.39CS..EExtended strand (participates in β ladder)trans-119.7134.5177.2174.60000109.5V2 V24 L69 F90 E91 L92 G93V2-V4 HydrophobicContact CG1-CG2 4.37Å; V4-V24 HydrophobicContact CG1-CG1 4.26Å; V4-L69 HydrophobicContact CG1-CD1 3.91Å; V4-L69 HydrophobicContact CG1-CD2 4.47Å; V4-F90 HydrophobicContact CB-CE2 4.1Å; V4-F90 HydrophobicContact CB-CZ 4.33Å; V4-F90 HydrophobicContact CG2-CE2 3.7Å; V4-F90 HydrophobicContact CG2-CZ 4.38Å; V4-E91 PolarHBondContact N-O 2.87Å; V4-L92 HydrophobicContact CB-CD1 4.28Å; V4-L92 HydrophobicContact CG1-CD1 4.33Å; V4-L92 CarbonylContact O-C 3.51Å; V4-L92 WeakPolarHBondContact O-CA 3.46Å; V4-G93 PolarHBondContact O-N 3.48Å
5P95.8Very high94.2Very high77 Ų7785.3 Ų85.350%0.542%0.421SS..  trans-64.4147.7179.228.1-36.4000111.8V7P5-V7 WeakPolarHBondContact CB-O 3.38Å; P5-V7 PolarHBondContact O-N 3.22Å
6K96.3Very high94.3Very high126 Ų12681.6 Ų81.655%0.54841%0.406SS..SBendtrans-67.9-13.8175.5-68.2178.1-177.2174.80113.1V24 L92K6-V24 PolarHBondContact O-N 2.97Å; K6-L92 WeakPolarHBondContact CE-O 3.3Å; K6-L92 HydrophobicContact CG-CD2 4.04Å; K6-L92 HydrophobicContact CG-CG 4.15Å
7V95.9Very high94.3Very high77 Ų7788.4 Ų88.447%0.46743%0.426SS..EExtended strand (participates in β ladder)trans-133.1135.6-178.5-175.50000109.3P5 V21 H22P5-V7 WeakPolarHBondContact CB-O 3.38Å; P5-V7 PolarHBondContact O-N 3.22Å; V7-V21 HydrophobicContact CG1-CG1 3.22Å; V7-H22 WeakPolarHBondContact CA-O 3.19Å
8R95.4Very high94.4Very high117 Ų11790.6 Ų90.644%0.44243%0.429SS..EExtended strand (participates in β ladder)trans-143.2132.1177.2-177.2175.4178.31710.3110.6H22 V24R8-H22 PolarHBondContact N-O 3.13Å; R8-H22 WeakPolarHBondContact O-CB 3.13Å; R8-H22 PolarHBondContact O-N 2.88Å; R8-V24 HydrophobicContact CB-CG2 3.87Å
9R96.3Very high94.5Very high183 Ų18391.6 Ų91.669%0.69143%0.433SS*.EExtended strand (participates in β ladder)trans-83.1125.9169.5-163.6173.3-174.4171.1-0.9109.4H19 T20R9-H19 PolarHBondContact NE-O 2.81Å; R9-T20 WeakPolarHBondContact CA-O 3.31Å
10T96.5Very high94.7Very high23 Ų2387.1 Ų87.114%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-161.4162.6-176-177.60000109.9C12 H19 T20 H22 M71 K80T10-C12 PolarHBondContact O-N 3.48Å; T10-H19 VanDerWaalsContact C-CD2 3.41Å; T10-H19 WeakPolarHBondContact O-CA 3.42Å; T10-T20 PolarHBondContact N-O 3.11Å; T10-T20 VanDerWaalsContact N-O 3.08Å; T10-T20 PolarHBondContact O-N 3.49Å; T10-T20 VanDerWaalsContact O-N 3.08Å; T10-H22 HydrophobicContact CG2-CB 4.24Å; T10-H22 VanDerWaalsContact CG2-ND1 3.35Å; T10-H22 WeakPolarHBondContact CG2-ND1 3.42Å; T10-H22 PolarHBondContact O-CE1 3.17Å; T10-M71 HydrophobicContact CG2-SD 3.87Å; T10-K80 VanDerWaalsContact CG2-CE 3.41Å; T10-K80 PolarHBondContact OG1-NZ 2.97Å
11Y97.1Very high94.8Very high110 Ų11085.4 Ų85.443%0.43141%0.407SS..EExtended strand (participates in β ladder)trans-59.6129.6179-175.9-104.1000112.2A13 R17 H19 K80Y11-A13 HydrophobicContact CD1-CB 4.41Å; Y11-A13 HydrophobicContact CE1-CB 3.95Å; Y11-R17 WeakPolarHBondContact CE2-O 3.36Å; Y11-H19 PolarHBondContact N-CD2 3.07Å; Y11-H19 PolarHBondContact N-NE2 2.93Å; Y11-K80 PolarHBondContact O-NZ 2.94Å
12C96.5Very high95.6Very high0 Ų078.2 Ų78.20%037%0.372CS..  trans-102.5112.8172.5173.30000110.1T10 G14 C16 R17 R18 T20 C73 C76T10-C12 PolarHBondContact O-N 3.48Å; C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.24Å; C12-G14 PolarHBondContact SG-N 3.05Å; C12-C16 HydrophobicContact CB-CB 4.12Å; C12-R17 VanDerWaalsContact O-CA 3.31Å; C12-R17 WeakPolarHBondContact O-CA 3.45Å; C12-R17 PolarHBondContact O-N 3.42Å; C12-R18 PolarHBondContact N-O 2.75Å; C12-T20 HydrophobicContact CB-CG2 4.28Å; C12-T20 WeakPolarHBondContact CB-OG1 3.5Å; C12-C73 VanDerWaalsContact SG-SG 3.7Å; C12-C76 PolarHBondContact SG-SG 2.94Å
13A95Very high95.8Very high68 Ų6881.2 Ų81.256%0.56238%0.38SS*.THydrogen-bonded Turntrans-79.9-2.2177.300000114.3Y11Y11-A13 HydrophobicContact CD1-CB 4.41Å; Y11-A13 HydrophobicContact CE1-CB 3.95Å
14G92.6Very high95.9Very high15 Ų1578.7 Ų78.716%0.15537%0.367CS..THydrogen-bonded Turntrans-72.9-153.3172.100000112.4C12 C16 R17C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.24Å; C12-G14 PolarHBondContact SG-N 3.05Å; G14-C16 PolarHBondContact O-N 2.94Å; G14-R17 PolarHBondContact O-N 3.31Å
15K93.6Very high96Very high197 Ų19779.9 Ų79.986%0.85737%0.374SS*.THydrogen-bonded Turntrans-55.6-28.5-179.2-62.7-174.1179-174.60113.9C76K15-C76 HydrophobicContact CB-CB 4.28Å
16C95.2Very high96Very high26 Ų2680.7 Ų80.718%0.17637%0.371CS..THydrogen-bonded Turntrans-68.9-35.3-176.1-54.90000114.6C12 G14 R18 T20 E75 C76C12-C16 HydrophobicContact CB-CB 4.12Å; G14-C16 PolarHBondContact O-N 2.94Å; C16-R18 HydrophobicContact CB-CG 4.21Å; C16-R18 WeakPolarHBondContact O-CG 3.2Å; C16-R18 PolarHBondContact O-N 3.01Å; C16-T20 HydrophobicContact CB-CG2 3.82Å; C16-E75 PolarHBondContact SG-OE2 3.46Å; C16-C76 PolarHBondContact SG-SG 3.19Å
17R94.5Very high96.1Very high198 Ų19879.4 Ų79.475%0.74736%0.363SS*.  trans44.530.7-174.8-58.1-175.9-178.7-1771.2115.4Y11 C12 G14Y11-R17 WeakPolarHBondContact CE2-O 3.36Å; C12-R17 VanDerWaalsContact O-CA 3.31Å; C12-R17 WeakPolarHBondContact O-CA 3.45Å; C12-R17 PolarHBondContact O-N 3.42Å; G14-R17 PolarHBondContact O-N 3.31Å
18R96.4Very high96.1Very high128 Ų12883.8 Ų83.848%0.48338%0.376SS..SBendtrans-146.1173-178.570.2-174.2173.177.11.1111.5C12 C16 T20 E75C12-R18 PolarHBondContact N-O 2.75Å; C16-R18 HydrophobicContact CB-CG 4.21Å; C16-R18 WeakPolarHBondContact O-CG 3.2Å; C16-R18 PolarHBondContact O-N 3.01Å; R18-T20 HydrophobicContact CG-CG2 3.97Å; R18-T20 PolarHBondContact O-N 3.38Å; R18-E75 IonicContact CZ-OE1 3.35Å; R18-E75 IonicContact CZ-OE2 3.41Å; R18-E75 IonicContact NH1-OE1 3.24Å; R18-E75 PolarHBondContact NH1-OE1 3.23Å; R18-E75 IonicContact NH1-OE2 3.94Å; R18-E75 IonicContact NH2-OE1 2.75Å; R18-E75 PolarHBondContact NH2-OE1 3.2Å; R18-E75 IonicContact NH2-OE2 2.81Å; R18-E75 PolarHBondContact NH2-OE2 2.72Å
19H97Very high96.1Very high109 Ų10986.5 Ų86.551%0.50539%0.391SS..EExtended strand (participates in β ladder)trans-75.7106.5176.7-78.484.6000111.6R9 T10 Y11R9-H19 PolarHBondContact NE-O 2.81Å; T10-H19 VanDerWaalsContact C-CD2 3.41Å; T10-H19 WeakPolarHBondContact O-CA 3.42Å; Y11-H19 PolarHBondContact N-CD2 3.07Å; Y11-H19 PolarHBondContact N-NE2 2.93Å
20T96.8Very high96.1Very high2 Ų280.4 Ų80.41%0.01239%0.385CS..EExtended strand (participates in β ladder)trans-116.1165.9-179.864.10000111.5R9 T10 C12 C16 R18 H22 C73 E75R9-T20 WeakPolarHBondContact CA-O 3.31Å; T10-T20 PolarHBondContact N-O 3.11Å; T10-T20 VanDerWaalsContact N-O 3.08Å; T10-T20 PolarHBondContact O-N 3.49Å; T10-T20 VanDerWaalsContact O-N 3.08Å; C12-T20 HydrophobicContact CB-CG2 4.28Å; C12-T20 WeakPolarHBondContact CB-OG1 3.5Å; C16-T20 HydrophobicContact CB-CG2 3.82Å; R18-T20 HydrophobicContact CG-CG2 3.97Å; R18-T20 PolarHBondContact O-N 3.38Å; T20-H22 PolarHBondContact O-ND1 3.49Å; T20-H22 PolarHBondContact OG1-CE1 3.08Å; T20-C73 PolarHBondContact OG1-SG 3.47Å; T20-E75 VanDerWaalsContact CG2-OE2 3.3Å; T20-E75 WeakPolarHBondContact CG2-OE2 3.35Å
21V97.5Very high96.1Very high51 Ų5189.4 Ų89.431%0.30942%0.422SS..EExtended strand (participates in β ladder)trans-76.5126.9174.9-176.90000109.5V7 Q74V7-V21 HydrophobicContact CG1-CG1 3.22Å; V21-Q74 VanDerWaalsContact CG1-OE1 3.29Å; V21-Q74 PolarHBondContact O-N 3.46Å
22H97.3Very high96Very high0 Ų090 Ų900%043%0.429CS..EExtended strand (participates in β ladder)trans-113.5134.3177.2-66.464.1000111.1V7 R8 T10 T20 M71 E72 C73V7-H22 WeakPolarHBondContact CA-O 3.19Å; R8-H22 PolarHBondContact N-O 3.13Å; R8-H22 WeakPolarHBondContact O-CB 3.13Å; R8-H22 PolarHBondContact O-N 2.88Å; T10-H22 HydrophobicContact CG2-CB 4.24Å; T10-H22 VanDerWaalsContact CG2-ND1 3.35Å; T10-H22 WeakPolarHBondContact CG2-ND1 3.42Å; T10-H22 PolarHBondContact O-CE1 3.17Å; T20-H22 PolarHBondContact O-ND1 3.49Å; T20-H22 PolarHBondContact OG1-CE1 3.08Å; H22-M71 HydrophobicContact CB-CB 4.05Å; H22-E72 CarbonylContact C-O 3.48Å; H22-E72 WeakPolarHBondContact CA-O 3.39Å; H22-C73 PolarHBondContact CD2-N 2.9Å
23K97.3Very high96Very high121 Ų12193.3 Ų93.353%0.52645%0.452SS..EExtended strand (participates in β ladder)trans-76.3121.6165.6-173.7175.1-178.4176.10108.4M71 E72K23-M71 WeakPolarHBondContact O-CA 3.4Å; K23-E72 PolarHBondContact N-O 3.19Å; K23-E72 PolarHBondContact O-N 3.03Å
24V97.3Very high96Very high3 Ų394.1 Ų94.12%0.01845%0.454CS..EExtended strand (participates in β ladder)trans-92.5133.1179-170.50000108.2V4 K6 R8 L69 M71 L92V4-V24 HydrophobicContact CG1-CG1 4.26Å; K6-V24 PolarHBondContact O-N 2.97Å; R8-V24 HydrophobicContact CB-CG2 3.87Å; V24-L69 HydrophobicContact CG1-CB 4.05Å; V24-L69 HydrophobicContact CG1-CD1 4.16Å; V24-L69 HydrophobicContact CG1-CD2 4.02Å; V24-L69 HydrophobicContact CG1-CG 4.3Å; V24-M71 HydrophobicContact CG2-CG 4.28Å; V24-L92 HydrophobicContact CG1-CD1 3.96Å; V24-L92 WeakPolarHBondContact O-CD2 3.48Å
25T96.6Very high96.1Very high46 Ų46103.2 Ų103.228%0.28248%0.483SS..EExtended strand (participates in β ladder)trans-136.5158.2174560000109.7L69 R70T25-L69 CarbonylContact O-C 3.59Å; T25-L69 WeakPolarHBondContact O-CA 3.33Å; T25-R70 PolarHBondContact N-O 3.49Å; T25-R70 PolarHBondContact O-N 3Å; T25-R70 WeakPolarHBondContact OG1-CB 3.32Å; T25-R70 PolarHBondContact OG1-O 3.47Å
26Q96.1Very high96.3Very high95 Ų9596 Ų9644%0.44446%0.461SS..EExtended strand (participates in β ladder)trans-78.5129.8171.8-167.5-178.345.100109.7V67 F90Q26-V67 HydrophobicContact CG-CG1 4.12Å; Q26-F90 HydrophobicContact CG-CE1 4.39Å
27Y96.9Very high96.4Very high98 Ų98100.7 Ų100.738%0.38448%0.48SS..  trans-64.5135.4171169.3-104.1000110.7K29 V68Y27-K29 HydrophobicContact CE1-CB 4.5Å; Y27-V68 VanDerWaalsContact CB-O 3.23Å; Y27-V68 WeakPolarHBondContact CB-O 3.46Å; Y27-V68 HydrophobicContact CD1-CB 4.21Å; Y27-V68 HydrophobicContact CG-CB 4.27Å; Y27-V68 HydrophobicContact CG-CG1 4.42Å; Y27-V68 PolarHBondContact N-O 3.46Å
28K96.1Very high96.5Very high169 Ų16993.4 Ų93.474%0.73547%0.466SS*.  trans-119.2135.3170.3-65.9-175.2177.9-177.10108.7G30K28-G30 PolarHBondContact O-N 3.47Å
29K96Very high96.5Very high174 Ų17491.4 Ų91.476%0.75746%0.459SS*.PPolyproline II helixtrans-66.2128.4172.8-175.5-176.2174.1-173.90108.5Y27Y27-K29 HydrophobicContact CE1-CB 4.5Å
30G95.9Very high96.5Very high55 Ų5593.5 Ų93.557%0.56746%0.462SS*.PPolyproline II helixtrans-71.9168.4174.300000113.1K28K28-G30 PolarHBondContact O-N 3.47Å
31K96.4Very high96.6Very high212 Ų21299.6 Ų99.692%0.92249%0.485SS*.PPolyproline II helixtrans-61.2141.6172.1-173178.3178.7177.90110
32E95.4Very high96.5Very high124 Ų124100.2 Ų100.258%0.57948%0.482SS*.PPolyproline II helixtrans-67.7135.5174.6-171.8176.8171.600110.7
33S96.3Very high96.5Very high69 Ų69102.8 Ų102.848%0.48350%0.496SS..PPolyproline II helixtrans-82.1129.4177.41770000111R35 A36S33-R35 VanDerWaalsContact C-N 3.27Å; S33-R35 PolarHBondContact O-N 2.93Å; S33-R35 PolarHBondContact OG-N 3.39Å; S33-A36 PolarHBondContact O-N 3.41Å
34S94.7Very high96.4Very high84 Ų84105.9 Ų105.959%0.58751%0.505SS*.THydrogen-bonded Turntrans-68.1-26.1177.155.70000113.5
35R95.5Very high96.4Very high206 Ų206111 Ų11178%0.77753%0.527SS*.THydrogen-bonded Turntrans-85.8-9.4-175.6-60.3-178.9-176.8175.10.2113.2S33 Q37 R40S33-R35 VanDerWaalsContact C-N 3.27Å; S33-R35 PolarHBondContact O-N 2.93Å; S33-R35 PolarHBondContact OG-N 3.39Å; R35-Q37 PolarHBondContact O-N 3.26Å; R35-R40 PolarHBondContact O-NE 2.9Å
36A97.2Very high96.4Very high46 Ų46111.6 Ų111.638%0.3853%0.526SS..SBendtrans-56.9137.8176.300000110.5S33 G38 R39 R40S33-A36 PolarHBondContact O-N 3.41Å; A36-G38 VanDerWaalsContact C-N 3.25Å; A36-G38 PolarHBondContact O-N 3.08Å; A36-R39 HydrophobicContact CB-CB 4.49Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R40 PolarHBondContact O-N 2.98Å
37Q97.9Very high96.3Very high124 Ų124115 Ų11558%0.57954%0.54SS*.Hα-helixtrans-54.8-40.9-175.1-171.9-168.412.600112.6R35 R39 R40 R41R35-Q37 PolarHBondContact O-N 3.26Å; Q37-R39 PolarHBondContact O-N 2.83Å; Q37-R40 PolarHBondContact O-N 3.23Å; Q37-R41 WeakPolarHBondContact O-CB 3.35Å; Q37-R41 PolarHBondContact O-N 2.85Å
38G96.4Very high96.2Very high45 Ų45113.7 Ų113.746%0.46456%0.555SS.*Hα-helixtrans-62.5-41.217800000112.8A36 R41 Y42A36-G38 VanDerWaalsContact C-N 3.25Å; A36-G38 PolarHBondContact O-N 3.08Å; G38-R41 PolarHBondContact O-N 2.76Å; G38-Y42 WeakPolarHBondContact O-CB 3.4Å; G38-Y42 PolarHBondContact O-N 2.84Å
39R97Very high96.1Very high87 Ų87117.1 Ų117.133%0.32857%0.565SS.*Hα-helixtrans-67.7-48.2177.4-175.665.2-157.1-160.76.5111.4A36 Q37 R41 Y42 D43A36-R39 HydrophobicContact CB-CB 4.49Å; A36-R39 PolarHBondContact O-N 3.21Å; Q37-R39 PolarHBondContact O-N 2.83Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 2.89Å; R39-Y42 PolarHBondContact O-N 2.82Å; R39-Y42 VanDerWaalsContact O-N 3.09Å; R39-D43 IonicContact CZ-OD1 3.15Å; R39-D43 IonicContact CZ-OD2 3.9Å; R39-D43 IonicContact NE-OD1 2.94Å; R39-D43 PolarHBondContact NE-OD1 2.59Å; R39-D43 IonicContact NE-OD2 3.02Å; R39-D43 PolarHBondContact NE-OD2 3.42Å; R39-D43 IonicContact NH2-OD1 2.72Å; R39-D43 PolarHBondContact NH2-OD1 2.8Å; R39-D43 IonicContact NH2-OD2 3.87Å; R39-D43 PolarHBondContact O-N 2.87Å
40R97Very high96Very high152 Ų152112.4 Ų112.457%0.57457%0.566SS**Hα-helixtrans-54.7-42.6174.2-70-171.1-73.4129-5.3112.6R35 A36 Q37 R44R35-R40 PolarHBondContact O-NE 2.9Å; A36-R40 PolarHBondContact O-N 2.98Å; Q37-R40 PolarHBondContact O-N 3.23Å; R40-R44 WeakPolarHBondContact O-CB 3.46Å; R40-R44 PolarHBondContact O-N 3.03Å
41R97.4Very high95.9Very high130 Ų130112.2 Ų112.249%0.49156%0.564SS.*Hα-helixtrans-66.7-43177.1-171.5-170.6-60.1145.90.7111.8Q37 G38 R39 R44 K45Q37-R41 WeakPolarHBondContact O-CB 3.35Å; Q37-R41 PolarHBondContact O-N 2.85Å; G38-R41 PolarHBondContact O-N 2.76Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 2.89Å; R41-R44 PolarHBondContact O-N 2.83Å; R41-K45 WeakPolarHBondContact O-CB 3.09Å; R41-K45 PolarHBondContact O-N 3.33Å
42Y96.7Very high95.9Very high65 Ų65106.4 Ų106.426%0.25554%0.54SS..Hα-helixtrans-62.6-49177.2177.2-113.3000111.1G38 R39 R44 K45 Q46 Q52 K54G38-Y42 WeakPolarHBondContact O-CB 3.4Å; G38-Y42 PolarHBondContact O-N 2.84Å; R39-Y42 PolarHBondContact O-N 2.82Å; R39-Y42 VanDerWaalsContact O-N 3.09Å; Y42-R44 VanDerWaalsContact C-N 3.32Å; Y42-R44 PolarHBondContact O-N 2.91Å; Y42-K45 CarbonylContact O-C 3.59Å; Y42-K45 PolarHBondContact O-N 3.35Å; Y42-Q46 HydrophobicContact CD1-CG 4.23Å; Y42-Q46 HydrophobicContact CD2-CG 3.83Å; Y42-Q46 HydrophobicContact CE1-CG 3.88Å; Y42-Q46 HydrophobicContact CE2-CG 3.41Å; Y42-Q46 VanDerWaalsContact CE2-CG 3.41Å; Y42-Q46 HydrophobicContact CG-CG 4.23Å; Y42-Q46 VanDerWaalsContact CZ-CG 3.46Å; Y42-Q46 WeakPolarHBondContact O-CB 3.39Å; Y42-Q46 VanDerWaalsContact O-CG 3.26Å; Y42-Q46 WeakPolarHBondContact O-CG 3.42Å; Y42-Q46 PolarHBondContact O-N 3.46Å; Y42-Q46 PolarHBondContact OH-OE1 2.96Å; Y42-Q52 PolarHBondContact OH-NE2 3.45Å; Y42-Q52 PolarHBondContact OH-OE1 2.97Å; Y42-K54 HydrophobicContact CD2-CB 4.23Å; Y42-K54 HydrophobicContact CD2-CG 3.62Å; Y42-K54 HydrophobicContact CE2-CB 3.8Å; Y42-K54 HydrophobicContact CE2-CG 3.69Å
43D96Very high95.9Very high54 Ų54102.5 Ų102.529%0.28953%0.525SS..Hα-helixtrans-60.8-41.7178.7-65.9-30.3000111.2R39 K45 Q46 K47R39-D43 IonicContact CZ-OD1 3.15Å; R39-D43 IonicContact CZ-OD2 3.9Å; R39-D43 IonicContact NE-OD1 2.94Å; R39-D43 PolarHBondContact NE-OD1 2.59Å; R39-D43 IonicContact NE-OD2 3.02Å; R39-D43 PolarHBondContact NE-OD2 3.42Å; R39-D43 IonicContact NH2-OD1 2.72Å; R39-D43 PolarHBondContact NH2-OD1 2.8Å; R39-D43 IonicContact NH2-OD2 3.87Å; R39-D43 PolarHBondContact O-N 2.87Å; D43-K45 PolarHBondContact O-N 2.8Å; D43-Q46 PolarHBondContact O-N 2.89Å; D43-K47 WeakPolarHBondContact O-CG 3.44Å; D43-K47 PolarHBondContact O-N 2.9Å
44R95.8Very high95.9Very high186 Ų186104.2 Ų104.270%0.70252%0.524SS*.Hα-helixtrans-61.7-41.1173.3-173.117667.4-163.55.4112.6R40 R41 Y42 Q46R40-R44 WeakPolarHBondContact O-CB 3.46Å; R40-R44 PolarHBondContact O-N 3.03Å; R41-R44 PolarHBondContact O-N 2.83Å; Y42-R44 VanDerWaalsContact C-N 3.32Å; Y42-R44 PolarHBondContact O-N 2.91Å; R44-Q46 PolarHBondContact O-N 3.41Å
45K96.6Very high96Very high111 Ų111106.3 Ų106.348%0.48354%0.535SS..Hα-helixtrans-73.9-15.6178.1-158-169.3175.6-167.30112.9R41 Y42 D43 T53R41-K45 WeakPolarHBondContact O-CB 3.09Å; R41-K45 PolarHBondContact O-N 3.33Å; Y42-K45 CarbonylContact O-C 3.59Å; Y42-K45 PolarHBondContact O-N 3.35Å; D43-K45 PolarHBondContact O-N 2.8Å; K45-T53 WeakPolarHBondContact CD-OG1 3.23Å; K45-T53 WeakPolarHBondContact CG-OG1 3.46Å; K45-T53 PolarHBondContact NZ-O 2.88Å; K45-T53 WeakPolarHBondContact O-CG2 3.46Å; K45-T53 PolarHBondContact O-OG1 3.26Å
46Q96.1Very high96Very high57 Ų57101.7 Ų101.727%0.26653%0.525SS..Hα-helixtrans-95-10.5179.4-77.1-71.5-82.600113.1Y42 D43 R44 G51 T53Y42-Q46 HydrophobicContact CD1-CG 4.23Å; Y42-Q46 HydrophobicContact CD2-CG 3.83Å; Y42-Q46 HydrophobicContact CE1-CG 3.88Å; Y42-Q46 HydrophobicContact CE2-CG 3.41Å; Y42-Q46 VanDerWaalsContact CE2-CG 3.41Å; Y42-Q46 HydrophobicContact CG-CG 4.23Å; Y42-Q46 VanDerWaalsContact CZ-CG 3.46Å; Y42-Q46 WeakPolarHBondContact O-CB 3.39Å; Y42-Q46 VanDerWaalsContact O-CG 3.26Å; Y42-Q46 WeakPolarHBondContact O-CG 3.42Å; Y42-Q46 PolarHBondContact O-N 3.46Å; Y42-Q46 PolarHBondContact OH-OE1 2.96Å; D43-Q46 PolarHBondContact O-N 2.89Å; R44-Q46 PolarHBondContact O-N 3.41Å; Q46-G51 PolarHBondContact NE2-O 3.43Å; Q46-G51 VanDerWaalsContact NE2-O 3.1Å; Q46-T53 PolarHBondContact NE2-OG1 2.87Å
47K94.9Very high96Very high168 Ų168105.7 Ų105.773%0.7354%0.539SS*.SBendtrans-74.5146.1175.9-76.5174.4178.5-165.90111.2D43D43-K47 WeakPolarHBondContact O-CG 3.44Å; D43-K47 PolarHBondContact O-N 2.9Å
48G95.4Very high96Very high69 Ų69110.1 Ų110.171%0.71155%0.551SS**SBendtrans87.4-154.917900000112.9
49Y93.3Very high96Very high242 Ų242117.5 Ų117.595%0.94957%0.57SS**SBendtrans-91.9166.6-178.9-56.5-78.4000111.9
50G93.9Very high95.9Very high74 Ų74121.7 Ų121.776%0.76359%0.59SS**SBendtrans105-2179.700000115.2
51G94.5Very high95.9Very high52 Ų52118.9 Ų118.954%0.53660%0.6SS.*  trans68.1-141.9169.500000114.9Q46 T53Q46-G51 PolarHBondContact NE2-O 3.43Å; Q46-G51 VanDerWaalsContact NE2-O 3.1Å; G51-T53 PolarHBondContact O-N 3.46Å
52Q96Very high95.9Very high89 Ų89120.3 Ų120.342%0.41661%0.61SS.*  trans-74.9115.3-174.8175.261.8-13.600111.6Y42 K54 I56Y42-Q52 PolarHBondContact OH-NE2 3.45Å; Y42-Q52 PolarHBondContact OH-OE1 2.97Å; Q52-K54 VanDerWaalsContact CD-O 3.3Å; Q52-K54 WeakPolarHBondContact CG-O 3.43Å; Q52-K54 PolarHBondContact NE2-O 2.84Å; Q52-I56 HydrophobicContact CG-CD1 4.05Å; Q52-I56 HydrophobicContact CG-CG1 4.3Å; Q52-I56 VanDerWaalsContact NE2-CG1 3.27Å
53T95.6Very high95.9Very high43 Ų43123.5 Ų123.526%0.26464%0.636SS.*  trans-102.51.1-171.867.40000114.8K45 Q46 G51K45-T53 WeakPolarHBondContact CD-OG1 3.23Å; K45-T53 WeakPolarHBondContact CG-OG1 3.46Å; K45-T53 PolarHBondContact NZ-O 2.88Å; K45-T53 WeakPolarHBondContact O-CG2 3.46Å; K45-T53 PolarHBondContact O-OG1 3.26Å; Q46-T53 PolarHBondContact NE2-OG1 2.87Å; G51-T53 PolarHBondContact O-N 3.46Å
54K96.2Very high95.9Very high105 Ų105122.5 Ų122.546%0.45763%0.632SS.*SBendtrans-130.8144.5176-70.2-64.5-174.1177.30111.3Y42 Q52Y42-K54 HydrophobicContact CD2-CB 4.23Å; Y42-K54 HydrophobicContact CD2-CG 3.62Å; Y42-K54 HydrophobicContact CE2-CB 3.8Å; Y42-K54 HydrophobicContact CE2-CG 3.69Å; Q52-K54 VanDerWaalsContact CD-O 3.3Å; Q52-K54 WeakPolarHBondContact CG-O 3.43Å; Q52-K54 PolarHBondContact NE2-O 2.84Å
55P96.8Very high95.9Very high128 Ų128122.1 Ų122.183%0.83164%0.635SS**  trans-65.7140.9-178.226.7-34.2000111.7
56I96.3Very high95.9Very high108 Ų108123.1 Ų123.155%0.55464%0.64SS**  trans-106.7122.9174-57.8174.8000108.3Q52 R58Q52-I56 HydrophobicContact CG-CD1 4.05Å; Q52-I56 HydrophobicContact CG-CG1 4.3Å; Q52-I56 VanDerWaalsContact NE2-CG1 3.27Å; I56-R58 PolarHBondContact O-N 3.02Å; I56-R58 VanDerWaalsContact O-N 3.14Å
57L96.8Very high95.9Very high131 Ų131121.3 Ų121.369%0.68663%0.632SS**  trans-70.2108.1176.4-179.467.6000110.7K60L57-K60 HydrophobicContact CD2-CG 4.45Å
58R96.5Very high96Very high217 Ų217114.7 Ų114.782%0.81961%0.606SS**  trans-92.5-43.3178.3-66.2-179.1177.8-104.52.3113.5I56 K60I56-R58 PolarHBondContact O-N 3.02Å; I56-R58 VanDerWaalsContact O-N 3.14Å; R58-K60 PolarHBondContact O-N 3.5Å
59K96.5Very high96.1Very high199 Ų199111.6 Ų111.687%0.86557%0.573SS**  trans-89.299.9-174.9-64.5-176.6178.5-1780111.2
60K96.7Very high96.2Very high175 Ų175104.7 Ų104.776%0.76155%0.545SS*.  trans-102.4113.8177.4-64176.5-173165.60110.5L57 R58L57-K60 HydrophobicContact CD2-CG 4.45Å; R58-K60 PolarHBondContact O-N 3.5Å
61A96.6Very high96.3Very high93 Ų93101.3 Ų101.377%0.76951%0.51SS*.  trans-90.7-26.3-179.900000114.6T63A61-T63 PolarHBondContact O-N 2.97Å
62K96.5Very high96.5Very high160 Ų160101.3 Ų101.370%0.69650%0.496SS*.  trans-83.4122.2-173.2-59-56.9-179-164.50110.9
63T96.5Very high96.6Very high132 Ų13297 Ų9781%0.8148%0.476SS*.SBendtrans-85-13.2177.1550000113.9A61A61-T63 PolarHBondContact O-N 2.97Å
64T96.6Very high96.6Very high33 Ų3399.7 Ų99.720%0.20249%0.486CS..  trans-129.7171-178.860.90000111.5R86 K88T64-R86 PolarHBondContact O-NH1 3.34Å; T64-K88 HydrophobicContact CG2-CG 3.8Å
65K94.7Very high96.6Very high178 Ų17899.2 Ų99.277%0.77449%0.485SS*.  trans-122.2156.9171.9-65.7173.8-175.4165.50109.4V67K65-V67 PolarHBondContact O-N 2.96Å
66K96.8Very high96.5Very high132 Ų13295 Ų9557%0.57446%0.458SS*.EExtended strand (participates in β ladder)trans-73.1120.6166.2-71.8-174.9178.4-178.20107.2R86K66-R86 HydrophobicContact CG-CG 3.82Å
67V96.4Very high96.5Very high19 Ų1995.7 Ų95.712%0.11546%0.457CS..EExtended strand (participates in β ladder)trans-73.6134.7173.7178.60000107.6Q26 K65 L69 I84 F90Q26-V67 HydrophobicContact CG-CG1 4.12Å; K65-V67 PolarHBondContact O-N 2.96Å; V67-L69 HydrophobicContact CG1-CD2 4.42Å; V67-I84 HydrophobicContact CB-CD1 3.88Å; V67-I84 HydrophobicContact CB-CG1 3.72Å; V67-I84 HydrophobicContact CG1-CD1 4.34Å; V67-I84 HydrophobicContact CG1-CG1 4.4Å; V67-I84 VanDerWaalsContact O-CG1 3.3Å; V67-I84 WeakPolarHBondContact O-CG1 3.41Å; V67-I84 PolarHBondContact O-N 2.89Å; V67-F90 HydrophobicContact CG1-CD1 4.02Å; V67-F90 HydrophobicContact CG1-CD2 4.18Å; V67-F90 HydrophobicContact CG1-CE1 3.94Å; V67-F90 HydrophobicContact CG1-CE2 4.09Å; V67-F90 HydrophobicContact CG1-CG 4.14Å; V67-F90 HydrophobicContact CG1-CZ 3.98Å; V67-F90 HydrophobicContact CG2-CB 4.17Å; V67-F90 HydrophobicContact CG2-CD2 4.43Å; V67-F90 HydrophobicContact CG2-CG 4.11Å
68V97.3Very high96.5Very high30 Ų3093 Ų9318%0.18244%0.441CS..EExtended strand (participates in β ladder)trans-111.4127.9174.4179.30000107.7Y27 Q81 P83Y27-V68 VanDerWaalsContact CB-O 3.23Å; Y27-V68 WeakPolarHBondContact CB-O 3.46Å; Y27-V68 HydrophobicContact CD1-CB 4.21Å; Y27-V68 HydrophobicContact CG-CB 4.27Å; Y27-V68 HydrophobicContact CG-CG1 4.42Å; Y27-V68 PolarHBondContact N-O 3.46Å; V68-Q81 HydrophobicContact CG1-CB 3.91Å; V68-Q81 HydrophobicContact CG1-CG 4.41Å; V68-P83 HydrophobicContact CG2-CB 4.21Å
69L96.9Very high96.5Very high3 Ų387.7 Ų87.72%0.01642%0.424CS..EExtended strand (participates in β ladder)trans-89.8127.8174.6-56.6178.1000108.5V4 V24 T25 V67 Q81 L82 I84 F90 L92V4-L69 HydrophobicContact CG1-CD1 3.91Å; V4-L69 HydrophobicContact CG1-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CB 4.05Å; V24-L69 HydrophobicContact CG1-CD1 4.16Å; V24-L69 HydrophobicContact CG1-CD2 4.02Å; V24-L69 HydrophobicContact CG1-CG 4.3Å; T25-L69 CarbonylContact O-C 3.59Å; T25-L69 WeakPolarHBondContact O-CA 3.33Å; V67-L69 HydrophobicContact CG1-CD2 4.42Å; L69-Q81 WeakPolarHBondContact O-CA 3.45Å; L69-L82 HydrophobicContact CD1-CD2 4.32Å; L69-L82 PolarHBondContact N-O 3.44Å; L69-L82 PolarHBondContact O-N 3.48Å; L69-I84 HydrophobicContact CD1-CG2 3.99Å; L69-I84 HydrophobicContact CG-CG2 4.28Å; L69-F90 HydrophobicContact CD2-CE2 4.1Å; L69-F90 HydrophobicContact CD2-CZ 3.6Å; L69-L92 HydrophobicContact CD2-CD1 4.35Å
70R96.9Very high96.4Very high97 Ų9780.6 Ų80.637%0.36639%0.393SS..EExtended strand (participates in β ladder)trans-95.8109.6168.2172.8172.1157.3169.2-14.3107.7T25 K79T25-R70 PolarHBondContact N-O 3.49Å; T25-R70 PolarHBondContact O-N 3Å; T25-R70 WeakPolarHBondContact OG1-CB 3.32Å; T25-R70 PolarHBondContact OG1-O 3.47Å; R70-K79 VanDerWaalsContact NH2-NZ 3.18Å
71M96.3Very high96.4Very high3 Ų378.6 Ų78.62%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-99.2120.5178.1-68.3-172.2-86.800109.3T10 H22 K23 V24 K79 K80 L82T10-M71 HydrophobicContact CG2-SD 3.87Å; H22-M71 HydrophobicContact CB-CB 4.05Å; K23-M71 WeakPolarHBondContact O-CA 3.4Å; V24-M71 HydrophobicContact CG2-CG 4.28Å; M71-K79 CarbonylContact O-C 3.53Å; M71-K79 WeakPolarHBondContact O-CA 3.44Å; M71-K80 HydrophobicContact CB-CG 3.77Å; M71-K80 HydrophobicContact CE-CD 3.99Å; M71-K80 VanDerWaalsContact CE-CE 3.4Å; M71-K80 HydrophobicContact CE-CG 4.03Å; M71-K80 PolarHBondContact N-O 3.06Å; M71-K80 PolarHBondContact O-N 3.28Å; M71-L82 HydrophobicContact CE-CB 3.5Å; M71-L82 HydrophobicContact CE-CD1 4.1Å; M71-L82 HydrophobicContact CE-CD2 4.26Å; M71-L82 HydrophobicContact CE-CG 4.17Å
72E97.3Very high96.3Very high52 Ų5277.1 Ų77.124%0.24337%0.365CS..EExtended strand (participates in β ladder)trans-109.4120.6178.8-175.3173.8138.800109.9H22 K23 Q74 K79H22-E72 CarbonylContact C-O 3.48Å; H22-E72 WeakPolarHBondContact CA-O 3.39Å; K23-E72 PolarHBondContact N-O 3.19Å; K23-E72 PolarHBondContact O-N 3.03Å; E72-Q74 PolarHBondContact O-N 3.38Å; E72-K79 HydrophobicContact CB-CG 4.18Å; E72-K79 HydrophobicContact CG-CG 4.02Å; E72-K79 WeakPolarHBondContact OE2-CE 3.4Å
73C97.6Very high96.4Very high0 Ų073.6 Ų73.60%036%0.358CS..EExtended strand (participates in β ladder)trans-63.4128.3175.8179.50000109.9C12 T20 H22 E75 C76 K77 H78C12-C73 VanDerWaalsContact SG-SG 3.7Å; T20-C73 PolarHBondContact OG1-SG 3.47Å; H22-C73 PolarHBondContact CD2-N 2.9Å; C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.03Å; C73-C76 VanDerWaalsContact SG-SG 3.66Å; C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 PolarHBondContact O-N 3.47Å; C73-K77 VanDerWaalsContact O-N 3.07Å; C73-H78 PolarHBondContact N-O 3.41Å
74Q96.2Very high96.3Very high99 Ų9969.1 Ų69.146%0.46333%0.329SS..THydrogen-bonded Turntrans-66.8-31.9-179.5-74.2-176.6-25.900112.9V21 E72 K77V21-Q74 VanDerWaalsContact CG1-OE1 3.29Å; V21-Q74 PolarHBondContact O-N 3.46Å; E72-Q74 PolarHBondContact O-N 3.38Å; Q74-K77 PolarHBondContact O-NZ 3.49Å
75E95.7Very high96.3Very high95 Ų9576.6 Ų76.644%0.44436%0.359SS..THydrogen-bonded Turntrans-79.4-67-177.9-60.3175-174.300112C16 R18 T20 C73C16-E75 PolarHBondContact SG-OE2 3.46Å; R18-E75 IonicContact CZ-OE1 3.35Å; R18-E75 IonicContact CZ-OE2 3.41Å; R18-E75 IonicContact NH1-OE1 3.24Å; R18-E75 PolarHBondContact NH1-OE1 3.23Å; R18-E75 IonicContact NH1-OE2 3.94Å; R18-E75 IonicContact NH2-OE1 2.75Å; R18-E75 PolarHBondContact NH2-OE1 3.2Å; R18-E75 IonicContact NH2-OE2 2.81Å; R18-E75 PolarHBondContact NH2-OE2 2.72Å; T20-E75 VanDerWaalsContact CG2-OE2 3.3Å; T20-E75 WeakPolarHBondContact CG2-OE2 3.35Å; C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.03Å
76C96.1Very high96.4Very high40 Ų4073.7 Ų73.727%0.2734%0.343SS..THydrogen-bonded Turntrans-95.44.1-173.869.60000115.1C12 K15 C16 C73 H78C12-C76 PolarHBondContact SG-SG 2.94Å; K15-C76 HydrophobicContact CB-CB 4.28Å; C16-C76 PolarHBondContact SG-SG 3.19Å; C73-C76 VanDerWaalsContact SG-SG 3.66Å; C76-H78 PolarHBondContact O-N 3.09Å; C76-H78 VanDerWaalsContact SG-CB 3.54Å
77K96.1Very high96.4Very high121 Ų12168.5 Ų68.553%0.52632%0.323SS..  trans57.111.4-178.4-50.8-55-175.9-162.40115.6C73 Q74 K79C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 PolarHBondContact O-N 3.47Å; C73-K77 VanDerWaalsContact O-N 3.07Å; Q74-K77 PolarHBondContact O-NZ 3.49Å; K77-K79 PolarHBondContact O-N 2.87Å
78H96.5Very high96.3Very high76 Ų7675.9 Ų75.935%0.35235%0.353SS..  trans-62.2137173.8-175.576.1000110.3C73 C76C73-H78 PolarHBondContact N-O 3.41Å; C76-H78 PolarHBondContact O-N 3.09Å; C76-H78 VanDerWaalsContact SG-CB 3.54Å
79K95.9Very high96.2Very high105 Ų10580.4 Ų80.446%0.45737%0.373SS..EExtended strand (participates in β ladder)trans-114.2127.5-174.8-70.3158.5-1741690109.6R70 M71 E72 K77R70-K79 VanDerWaalsContact NH2-NZ 3.18Å; M71-K79 CarbonylContact O-C 3.53Å; M71-K79 WeakPolarHBondContact O-CA 3.44Å; E72-K79 HydrophobicContact CB-CG 4.18Å; E72-K79 HydrophobicContact CG-CG 4.02Å; E72-K79 WeakPolarHBondContact OE2-CE 3.4Å; K77-K79 PolarHBondContact O-N 2.87Å
80K95.2Very high96.1Very high49 Ų4982.1 Ų82.121%0.21338%0.38CS..EExtended strand (participates in β ladder)trans-120.8151.4172.565.91771771740111.4T10 Y11 M71T10-K80 VanDerWaalsContact CG2-CE 3.41Å; T10-K80 PolarHBondContact OG1-NZ 2.97Å; Y11-K80 PolarHBondContact O-NZ 2.94Å; M71-K80 HydrophobicContact CB-CG 3.77Å; M71-K80 HydrophobicContact CE-CD 3.99Å; M71-K80 VanDerWaalsContact CE-CE 3.4Å; M71-K80 HydrophobicContact CE-CG 4.03Å; M71-K80 PolarHBondContact N-O 3.06Å; M71-K80 PolarHBondContact O-N 3.28Å
81Q96.1Very high96Very high133 Ų13381.1 Ų81.162%0.62138%0.379SS*.EExtended strand (participates in β ladder)trans-107.5134.6178.4-63.8-174.613.600110.2V68 L69V68-Q81 HydrophobicContact CG1-CB 3.91Å; V68-Q81 HydrophobicContact CG1-CG 4.41Å; L69-Q81 WeakPolarHBondContact O-CA 3.45Å
82L95.6Very high95.8Very high63 Ų6383.3 Ų83.333%0.3339%0.391SS..EExtended strand (participates in β ladder)trans-131.6109.6176.2-170.8104.2000110.2L69 M71 I84L69-L82 HydrophobicContact CD1-CD2 4.32Å; L69-L82 PolarHBondContact N-O 3.44Å; L69-L82 PolarHBondContact O-N 3.48Å; M71-L82 HydrophobicContact CE-CB 3.5Å; M71-L82 HydrophobicContact CE-CD1 4.1Å; M71-L82 HydrophobicContact CE-CD2 4.26Å; M71-L82 HydrophobicContact CE-CG 4.17Å; L82-I84 HydrophobicContact CD2-CG2 4.46Å
83P96.8Very high95.5Very high85 Ų8582.6 Ų82.655%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-73.213817329.5-32.2000110.9V68V68-P83 HydrophobicContact CG2-CB 4.21Å
84I95.7Very high95.2Very high38 Ų3883.8 Ų83.820%0.19541%0.41CS..EExtended strand (participates in β ladder)trans-104.8170.4169.563.9163000111.3V67 L69 L82 F90V67-I84 HydrophobicContact CB-CD1 3.88Å; V67-I84 HydrophobicContact CB-CG1 3.72Å; V67-I84 HydrophobicContact CG1-CD1 4.34Å; V67-I84 HydrophobicContact CG1-CG1 4.4Å; V67-I84 VanDerWaalsContact O-CG1 3.3Å; V67-I84 WeakPolarHBondContact O-CG1 3.41Å; V67-I84 PolarHBondContact O-N 2.89Å; L69-I84 HydrophobicContact CD1-CG2 3.99Å; L69-I84 HydrophobicContact CG-CG2 4.28Å; L82-I84 HydrophobicContact CD2-CG2 4.46Å; I84-F90 HydrophobicContact CD1-CD2 3.86Å; I84-F90 HydrophobicContact CD1-CE2 3.87Å
85K96.6Very high94.8Very high190 Ų19087.9 Ų87.983%0.82643%0.429SS*.EExtended strand (participates in β ladder)trans-61.2157.8172.7-65.1-174.7-179.5-1790110.8
86R97.1Very high94.5Very high118 Ų11892.5 Ų92.545%0.44545%0.447SS..EExtended strand (participates in β ladder)trans-65.4135.5179.1-69.4176.2177.7-83.30.8109.9T64 K66T64-R86 PolarHBondContact O-NH1 3.34Å; K66-R86 HydrophobicContact CG-CG 3.82Å
87C95.7Very high94.1Very high23 Ų23100 Ų10016%0.15548%0.475CS..  trans-141.2152.1175.847.50000109.5V2V2-C87 HydrophobicContact CB-CB 4.41Å; V2-C87 HydrophobicContact CG2-CB 3.67Å
88K95.8Very high93.8Very high173 Ų17398.4 Ų98.475%0.75248%0.476SS*.SBendtrans-80.8-45.6175.2-70.8-175.8177.3-178.10111.6T64T64-K88 HydrophobicContact CG2-CG 3.8Å
89H94.6Very high93.5Very high126 Ų126106.6 Ų106.658%0.58350%0.504SS*.SBendtrans-117.3121.1179.6-57.3-81.6000109.7V2V2-H89 PolarHBondContact N-O 3.41Å
90F94.9Very high92.9Very high38 Ų38105.9 Ų105.917%0.16753%0.526CS..EExtended strand (participates in β ladder)trans-128130.5180172.8-96.2000109.7V2 V4 Q26 V67 L69 I84 L92V2-F90 HydrophobicContact CG1-CD2 4.41Å; V2-F90 WeakPolarHBondContact O-CA 3.41Å; V4-F90 HydrophobicContact CB-CE2 4.1Å; V4-F90 HydrophobicContact CB-CZ 4.33Å; V4-F90 HydrophobicContact CG2-CE2 3.7Å; V4-F90 HydrophobicContact CG2-CZ 4.38Å; Q26-F90 HydrophobicContact CG-CE1 4.39Å; V67-F90 HydrophobicContact CG1-CD1 4.02Å; V67-F90 HydrophobicContact CG1-CD2 4.18Å; V67-F90 HydrophobicContact CG1-CE1 3.94Å; V67-F90 HydrophobicContact CG1-CE2 4.09Å; V67-F90 HydrophobicContact CG1-CG 4.14Å; V67-F90 HydrophobicContact CG1-CZ 3.98Å; V67-F90 HydrophobicContact CG2-CB 4.17Å; V67-F90 HydrophobicContact CG2-CD2 4.43Å; V67-F90 HydrophobicContact CG2-CG 4.11Å; L69-F90 HydrophobicContact CD2-CE2 4.1Å; L69-F90 HydrophobicContact CD2-CZ 3.6Å; I84-F90 HydrophobicContact CD1-CD2 3.86Å; I84-F90 HydrophobicContact CD1-CE2 3.87Å; F90-L92 HydrophobicContact CE1-CB 4.33Å; F90-L92 HydrophobicContact CE1-CD1 4.16Å; F90-L92 HydrophobicContact CZ-CD1 3.74Å
91E93.7Very high92.5Very high77 Ų77110.1 Ų110.136%0.3655%0.547SS..EExtended strand (participates in β ladder)trans-131145.9-179.4-67.3167.5-149.500110M1 V2 N3 V4M1-E91 WeakPolarHBondContact CG-OE1 3.36Å; V2-E91 PolarHBondContact O-N 3.1Å; N3-E91 WeakPolarHBondContact CA-O 3.26Å; V4-E91 PolarHBondContact N-O 2.87Å
92L92.7Very high91.8Very high49 Ų49111.4 Ų111.426%0.25756%0.555SS.*EExtended strand (participates in β ladder)trans-116.9105.8-179.1-160.691.1000110V4 K6 V24 L69 F90V4-L92 HydrophobicContact CB-CD1 4.28Å; V4-L92 HydrophobicContact CG1-CD1 4.33Å; V4-L92 CarbonylContact O-C 3.51Å; V4-L92 WeakPolarHBondContact O-CA 3.46Å; K6-L92 WeakPolarHBondContact CE-O 3.3Å; K6-L92 HydrophobicContact CG-CD2 4.04Å; K6-L92 HydrophobicContact CG-CG 4.15Å; V24-L92 HydrophobicContact CG1-CD1 3.96Å; V24-L92 WeakPolarHBondContact O-CD2 3.48Å; L69-L92 HydrophobicContact CD2-CD1 4.35Å; F90-L92 HydrophobicContact CE1-CB 4.33Å; F90-L92 HydrophobicContact CE1-CD1 4.16Å; F90-L92 HydrophobicContact CZ-CD1 3.74Å
93G91.5Very high91.3Very high36 Ų36114.5 Ų114.537%0.37157%0.57SS.*SBendtrans77.434.1-178.100000114N3 V4N3-G93 PolarHBondContact OD1-N 3.01Å; V4-G93 PolarHBondContact O-N 3.48Å
94G89.6Confident90.7Very high26 Ų26119.2 Ų119.227%0.26859%0.585SS.*PPolyproline II helixtrans-64.8165.916800000111.4N3N3-G94 WeakPolarHBondContact ND2-CA 3.36Å; N3-G94 PolarHBondContact ND2-O 2.69Å; N3-G94 PolarHBondContact OD1-N 3.17Å
95Q88.4Confident90.2Very high184 Ų184129.1 Ų129.186%0.8663%0.627SS**PPolyproline II helixtrans-61.3143177.1-68.5-177.5-7.500111N3N3-Q95 PolarHBondContact ND2-O 2.87Å
96K89Confident89.8Confident192 Ų192126.1 Ų126.184%0.83562%0.617SS**PPolyproline II helixtrans-72.3141.9171.7-68.4-177.5-178.1175.80108.1T98K96-T98 PolarHBondContact O-N 3.33Å
97K88.5Confident89.4Confident197 Ų197126.5 Ų126.586%0.85763%0.626SS**PPolyproline II helixtrans-63.4128172.5-63.7-173.1175.6-169.10109.2
98T90Very high89.1Confident88 Ų88132.3 Ų132.354%0.5465%0.652SS.*PPolyproline II helixtrans-76.6144.217243.80000109.7K96 Q101K96-T98 PolarHBondContact O-N 3.33Å; T98-Q101 PolarHBondContact OG1-OE1 3.49Å
99R89.2Confident88.7Confident249 Ų249129.9 Ų129.994%0.9465%0.647SS**SBendtrans-84130.1176.2-80.2-176.2167.9179.5-4.2109.2Q101R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.8Å
100G84.9Confident88.3Confident90 Ų90130.1 Ų130.193%0.92865%0.651SS**SBendtrans71.59.9168.200000116.6
101Q85.9Confident87.9Confident137 Ų137136.3 Ų136.364%0.6468%0.683SS**PPolyproline II helixtrans-74.3133.5173.7-87.6-174-32.100110.9T98 R99 I103T98-Q101 PolarHBondContact OG1-OE1 3.49Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.8Å; Q101-I103 PolarHBondContact O-N 3.25Å
102M82Confident87.5Confident160 Ų160140.5 Ų140.579%0.78871%0.706SS**PPolyproline II helixtrans-61131.6169-168174.49200109Q104M102-Q104 PolarHBondContact O-N 3.14Å
103I84.6Confident87.1Confident129 Ų129147.5 Ų147.566%0.66274%0.74SS**PPolyproline II helixtrans-69.8129.1172.5-60.4172.6000106.6Q101 F105Q101-I103 PolarHBondContact O-N 3.25Å; I103-F105 WeakPolarHBondContact O-CD2 3.32Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.38Å
104Q84.1Confident86.7Confident184 Ų184156.8 Ų156.886%0.8677%0.771SS**PPolyproline II helixtrans-68.9129.4171.3-82.7-177.4-49.100108.9M102M102-Q104 PolarHBondContact O-N 3.14Å
105F84.4Confident86.5Confident246 Ų246168.7 Ų168.7100%1.07982%0.817SS**  trans-96.30174.3-62.1-77000110.3I103I103-F105 WeakPolarHBondContact O-CD2 3.32Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.38Å

Retrieved 105 of 105 residues in 51 ms (Link to these results)