A0A096N668_PAPAN Loading...

Ribonuclease P protein subunit p20

Component of ribonuclease P, a ribonucleoprotein complex that generates mature tRNA molecules by cleaving their 5'-ends. Also a component of the MRP ribonuclease complex, which cleaves pre-rRNA sequences.

AlphaFold DB (A0A2K5UL10), UniProt , Accession A0A096N668, Species PAPAN (Papio anubis, Olive baboon), Gene POP7, Length 140 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
1M41.9Very low44.1Very low250 Ų250154 Ų154100%1.23281%0.811SS**  0103.10-73.2174.8171.500106.7
2A40.5Very low44.4Very low103 Ų103156.3 Ų156.385%0.85181%0.814SS**  trans-91.4112.5178.200000107.7N4A2-N4 PolarHBondContact O-N 3.22Å
3E43.3Very low44.9Very low145 Ų145149.1 Ų149.168%0.67879%0.791SS**  trans-82.996.6174.6-166.7175.2177.900108.1R5E3-R5 HydrophobicContact CG-CG 4.33Å; E3-R5 PolarHBondContact O-N 3.05Å; E3-R5 IonicContact OE1-CZ 3.37Å; E3-R5 IonicContact OE1-NE 2.77Å; E3-R5 PolarHBondContact OE1-NE 3.23Å; E3-R5 IonicContact OE1-NH2 3.91Å; E3-R5 PolarHBondContact OE1-NH2 3.3Å
4N47.5Very low45.4Very low149 Ų149152.4 Ų152.480%0.79780%0.8SS**  trans-69109.4165-1132.2000107.8A2A2-N4 PolarHBondContact O-N 3.22Å
5R49.7Very low46.2Very low213 Ų213147.1 Ų147.180%0.80477%0.772SS**  trans-115.7108.5160.8-80.7-174.4-172.2-162.32.9108.7E3E3-R5 HydrophobicContact CG-CG 4.33Å; E3-R5 PolarHBondContact O-N 3.05Å; E3-R5 IonicContact OE1-CZ 3.37Å; E3-R5 IonicContact OE1-NE 2.77Å; E3-R5 PolarHBondContact OE1-NE 3.23Å; E3-R5 IonicContact OE1-NH2 3.91Å; E3-R5 PolarHBondContact OE1-NH2 3.3Å
6E44.5Very low47.1Very low156 Ų156142.9 Ų142.973%0.72975%0.751SS**  trans-41.3149178.2-67.5-75.2138.200114.2R8E6-R8 PolarHBondContact O-N 2.75Å
7P43.8Very low47.9Very low112 Ų112141.1 Ų141.173%0.72775%0.749SS**  trans-61.9133.5173.527.9-32.2000109.2G9P7-G9 PolarHBondContact O-N 2.67Å
8R48.2Very low48.7Very low249 Ų249139.5 Ų139.594%0.9475%0.746SS**  trans-63.785169.2-69.4-178.8-172.8176.21.7108.2E6 T10E6-R8 PolarHBondContact O-N 2.75Å; R8-T10 PolarHBondContact O-N 2.66Å
9G37.7Very low49.6Very low55 Ų55136.3 Ų136.357%0.56773%0.726SS**  trans-55.7121.5166.200000107.3P7 V11P7-G9 PolarHBondContact O-N 2.67Å; G9-V11 WeakPolarHBondContact O-CG2 3.43Å; G9-V11 PolarHBondContact O-N 2.9Å
10T44.5Very low50.7Low134 Ų134131.5 Ų131.582%0.82270%0.697SS**  trans-55.896.4157.441.30000106R8 E12R8-T10 PolarHBondContact O-N 2.66Å; T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å
11V43.7Very low51.9Low128 Ų128128.1 Ų128.178%0.77668%0.682SS**  trans-64.999.8172.2-154.10000103.9G9 A13G9-V11 WeakPolarHBondContact O-CG2 3.43Å; G9-V11 PolarHBondContact O-N 2.9Å; V11-A13 PolarHBondContact O-N 2.97Å
12E48Very low53.4Low181 Ų181120 Ų12085%0.84664%0.643SS**  trans-64.176.7155.2-73.1-167.614800105.1T10 E14T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; E12-E14 PolarHBondContact O-N 3.07Å
13A50.6Low55Low63 Ų63121.5 Ų121.552%0.52163%0.626SS.*  trans-59.3116173.300000105.5V11 L15V11-A13 PolarHBondContact O-N 2.97Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.47Å
14E51Low56.4Low196 Ų196121.4 Ų121.492%0.91662%0.624SS**  trans-54.6103.3168.8-159.8170.7-162.300106.2E12 D16E12-E14 PolarHBondContact O-N 3.07Å; E14-D16 PolarHBondContact O-N 3.07Å
15L57.7Low57.3Low73 Ų73120.3 Ų120.338%0.38261%0.609SS.*  trans-66.9118.3-168.7-69.3166.3000108.9A13 P17 L111A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.47Å; L15-P17 VanDerWaalsContact O-CD 3.25Å; L15-P17 WeakPolarHBondContact O-CD 3.48Å; L15-L111 HydrophobicContact CD1-CD1 4.15Å
16D60.7Low58.1Low80 Ų80116.6 Ų116.643%0.42860%0.604SS.*  trans-69.5115.4173.1-171.2-12.6000109.3E14 V18 E19E14-D16 PolarHBondContact O-N 3.07Å; D16-V18 PolarHBondContact O-N 3.02Å; D16-V18 WeakPolarHBondContact OD1-CB 3.44Å; D16-V18 VanDerWaalsContact OD1-CG2 3.3Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.24Å; D16-V18 PolarHBondContact OD1-N 3.23Å; D16-E19 HydrophobicContact CB-CG 4.27Å; D16-E19 PolarHBondContact O-N 3.39Å
17P60.2Low59.3Low112 Ų112111 Ų11173%0.72758%0.581SS**THydrogen-bonded Turntrans-62.5-9.8177.225.8-33.8000113.7L15 E19L15-P17 VanDerWaalsContact O-CD 3.25Å; L15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-E19 VanDerWaalsContact C-N 3.34Å
18V63Low60.4Low112 Ų112113 Ų11368%0.67959%0.586SS**THydrogen-bonded Turntrans-75.5-22.6173.1-178.40000112.1D16D16-V18 PolarHBondContact O-N 3.02Å; D16-V18 WeakPolarHBondContact OD1-CB 3.44Å; D16-V18 VanDerWaalsContact OD1-CG2 3.3Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.24Å; D16-V18 PolarHBondContact OD1-N 3.23Å
19E66.7Low60.9Low78 Ų78109 Ų10936%0.36457%0.571SS.*THydrogen-bonded Turntrans-102.4-26.8-171.5-64.7-165.9139.200114.8D16 P17 E114 R118D16-E19 HydrophobicContact CB-CG 4.27Å; D16-E19 PolarHBondContact O-N 3.39Å; P17-E19 VanDerWaalsContact C-N 3.34Å; E19-E114 PolarHBondContact O-N 2.73Å; E19-E114 VanDerWaalsContact O-N 3.15Å; E19-R118 IonicContact OE1-CZ 2.74Å; E19-R118 IonicContact OE1-NH1 2.55Å; E19-R118 PolarHBondContact OE1-NH1 2.72Å; E19-R118 IonicContact OE1-NH2 2.81Å; E19-R118 PolarHBondContact OE1-NH2 3.2Å; E19-R118 IonicContact OE2-CZ 3.44Å; E19-R118 IonicContact OE2-NH1 3.24Å; E19-R118 PolarHBondContact OE2-NH1 2.69Å; E19-R118 IonicContact OE2-NH2 2.76Å
20Y70.4Confident62.1Low40 Ų40110.8 Ų110.816%0.15757%0.567CS.*EExtended strand (participates in β ladder)trans-140.2133.3-177.2-70.1-91000112.4L111 E112 P113 R118 L121Y20-L111 HydrophobicContact CD1-CB 4.14Å; Y20-E112 CarbonylContact C-O 3.59Å; Y20-E112 WeakPolarHBondContact CA-O 3.49Å; Y20-P113 HydrophobicContact CD1-CB 3.99Å; Y20-P113 HydrophobicContact CE1-CB 3.69Å; Y20-P113 HydrophobicContact CE1-CG 4.41Å; Y20-R118 WeakPolarHBondContact OH-CD 3.48Å; Y20-L121 HydrophobicContact CD1-CD1 4.48Å; Y20-L121 HydrophobicContact CE1-CD1 3.79Å; Y20-L121 HydrophobicContact CE1-CG 4.33Å; Y20-L121 HydrophobicContact CE2-CD1 4.3Å
21T75.8Confident62.8Low61 Ų61109.8 Ų109.837%0.37456%0.562SS.*EExtended strand (participates in β ladder)trans-92.3126.8170.5-76.40000111.2R23 E112 E114T21-R23 PolarHBondContact O-N 3.1Å; T21-E112 PolarHBondContact N-O 2.69Å; T21-E112 PolarHBondContact O-N 2.73Å; T21-E114 VanDerWaalsContact CB-OE1 3.25Å; T21-E114 WeakPolarHBondContact CB-OE1 3.17Å; T21-E114 PolarHBondContact OG1-OE1 3.31Å
22L73.6Confident64.2Low79 Ų79110.5 Ų110.541%0.41455%0.551SS.*EExtended strand (participates in β ladder)trans-80.1115.6178-178.171.2000112.2K24 D109 L111L22-K24 HydrophobicContact CD2-CG 4.17Å; L22-K24 HydrophobicContact CG-CG 4.24Å; L22-D109 HydrophobicContact CD1-CB 3.67Å; L22-L111 HydrophobicContact CB-CD2 4.21Å; L22-L111 HydrophobicContact CD1-CD2 3.57Å; L22-L111 HydrophobicContact CD1-CG 4.38Å
23R74.1Confident65.9Low135 Ų135109.5 Ų109.551%0.50954%0.54SS..EExtended strand (participates in β ladder)trans-103.8107.7168.8-66.2-165175.1-177.9-0.5111T21 R25 E110 E112T21-R23 PolarHBondContact O-N 3.1Å; R23-R25 PolarHBondContact O-N 3.14Å; R23-E110 WeakPolarHBondContact CA-O 3.1Å; R23-E110 HydrophobicContact CB-CB 4.37Å; R23-E110 PolarHBondContact N-O 2.98Å; R23-E110 PolarHBondContact O-N 2.85Å; R23-E112 VanDerWaalsContact CD-CD 3.47Å; R23-E112 VanDerWaalsContact CD-OE1 3.22Å; R23-E112 WeakPolarHBondContact CD-OE1 3.41Å; R23-E112 IonicContact CZ-OE1 3.22Å; R23-E112 IonicContact CZ-OE2 2.88Å; R23-E112 VanDerWaalsContact NE-CD 3.26Å; R23-E112 IonicContact NE-OE1 2.78Å; R23-E112 PolarHBondContact NE-OE1 3.27Å; R23-E112 IonicContact NE-OE2 2.7Å; R23-E112 PolarHBondContact NE-OE2 3.47Å; R23-E112 VanDerWaalsContact NH1-CD 3.34Å; R23-E112 IonicContact NH1-OE1 3.18Å; R23-E112 PolarHBondContact NH1-OE1 3.03Å; R23-E112 IonicContact NH1-OE2 3.54Å; R23-E112 PolarHBondContact NH1-OE2 2.91Å; R23-E112 IonicContact NH2-OE1 2.94Å; R23-E112 IonicContact NH2-OE2 3.57Å; R23-E112 PolarHBondContact NH2-OE2 3.22Å
24K73.2Confident67.3Low143 Ų143112.2 Ų112.262%0.62255%0.552SS**EExtended strand (participates in β ladder)trans-78.4119.2177.9-62.1-179.2-179.6179.20110.2L22 D109L22-K24 HydrophobicContact CD2-CG 4.17Å; L22-K24 HydrophobicContact CG-CG 4.24Å; K24-D109 WeakPolarHBondContact CA-OD1 3.43Å
25R66.7Low69.1Low127 Ų127104.9 Ų104.948%0.47952%0.519SS..PPolyproline II helixtrans-81.2155.4172-60.5177.2156.1-163.3-15.4110.6R23 V108 E110R23-R25 PolarHBondContact O-N 3.14Å; R25-V108 VanDerWaalsContact CB-O 3.27Å; R25-V108 WeakPolarHBondContact CB-O 3.42Å; R25-E110 IonicContact CZ-OE1 2.87Å; R25-E110 IonicContact CZ-OE2 3.06Å; R25-E110 IonicContact NE-OE1 2.69Å; R25-E110 PolarHBondContact NE-OE1 2.77Å; R25-E110 IonicContact NE-OE2 3.07Å; R25-E110 PolarHBondContact NE-OE2 2.89Å; R25-E110 IonicContact NH1-OE1 3.43Å; R25-E110 PolarHBondContact NH1-OE1 3.05Å; R25-E110 IonicContact NH2-OE1 3.88Å; R25-E110 PolarHBondContact NH2-OE1 2.76Å; R25-E110 IonicContact NH2-OE2 2.73Å; R25-E110 PolarHBondContact NH2-OE2 3.06Å
26L65.6Low70.7Confident135 Ų135102.8 Ų102.871%0.70751%0.508SS*.PPolyproline II helixtrans-66.9142167-71.4171.5000108.7
27P70.8Confident72.3Confident39 Ų39100 Ų10025%0.25349%0.493SS..PPolyproline II helixtrans-52.2144.8171-1012.6000110.6R29 L74 V105 L107P27-R29 PolarHBondContact O-N 2.92Å; P27-R29 VanDerWaalsContact O-N 3.11Å; P27-L74 HydrophobicContact CG-CD2 3.69Å; P27-V105 HydrophobicContact CB-CG1 4.01Å; P27-L107 HydrophobicContact CB-CD2 3.48Å; P27-L107 VanDerWaalsContact CB-CD2 3.48Å; P27-L107 HydrophobicContact CG-CD2 3.44Å; P27-L107 VanDerWaalsContact CG-CD2 3.44Å
28N66.1Low73.9Confident153 Ų15398.9 Ų98.982%0.81848%0.475SS*.PPolyproline II helixtrans-54.7121.3168.8-87.7-17.1000108.6L30N28-L30 PolarHBondContact O-N 3.03Å
29R59.5Low75.4Confident165 Ų16594.2 Ų94.262%0.62345%0.446SS*.PPolyproline II helixtrans-70.5124.6-169.4-68.2-179.3180-178.63.9109.3P27P27-R29 PolarHBondContact O-N 2.92Å; P27-R29 VanDerWaalsContact O-N 3.11Å
30L62.3Low76.6Confident92 Ų9293.8 Ų93.848%0.48245%0.447SS..PPolyproline II helixtrans-56.7151.6158.1-65.1173.7000109.4N28 R32N28-L30 PolarHBondContact O-N 3.03Å; L30-R32 PolarHBondContact O-N 2.79Å
31P59.3Low77.7Confident113 Ų11396.5 Ų96.573%0.73446%0.462SS*.PPolyproline II helixtrans-54.6124.2177.619.7-30.7000110.4R33P31-R33 PolarHBondContact O-N 2.93Å
32R73.4Confident78.5Confident143 Ų143103.3 Ų103.354%0.5449%0.487SS..  trans-88.3105.3-176.2-72.6-174171-163-3.8110.5L30 Y38L30-R32 PolarHBondContact O-N 2.79Å; R32-Y38 HydrophobicContact CG-CE2 4.14Å
33R82.3Confident79.5Confident161 Ų161102 Ų10261%0.60848%0.482SS*.  trans-73.4154.7162.2-55.6174.4178.2-178.1-0.8108.6P31 N35 D36P31-R33 PolarHBondContact O-N 2.93Å; R33-N35 PolarHBondContact O-N 3.02Å; R33-D36 WeakPolarHBondContact CA-OD2 3.38Å; R33-D36 WeakPolarHBondContact CB-OD2 3.41Å; R33-D36 PolarHBondContact N-OD2 3.46Å; R33-D36 PolarHBondContact O-N 3.19Å; R33-D36 VanDerWaalsContact O-N 3.16Å
34P82Confident80.6Confident119 Ų119100.2 Ų100.277%0.77348%0.483SS*.THydrogen-bonded Turntrans-57.3-22.6175.4-25.635000114
35N88.5Confident81.7Confident43 Ų4396 Ų9623%0.2346%0.464CS..THydrogen-bonded Turntrans-95.82-175.2-57.37.3000113.3R33 C66 E68 Y70R33-N35 PolarHBondContact O-N 3.02Å; N35-C66 VanDerWaalsContact CG-SG 3.56Å; N35-C66 PolarHBondContact OD1-SG 2.96Å; N35-E68 PolarHBondContact ND2-O 3.35Å; N35-Y70 PolarHBondContact O-N 3.16Å
36D91.4Very high83.1Confident29 Ų2997.5 Ų97.516%0.15547%0.474CS..EExtended strand (participates in β ladder)trans-87.9126.1178.7-64.3-38.4000111.1R33 Y38 Y70 H72R33-D36 WeakPolarHBondContact CA-OD2 3.38Å; R33-D36 WeakPolarHBondContact CB-OD2 3.41Å; R33-D36 PolarHBondContact N-OD2 3.46Å; R33-D36 PolarHBondContact O-N 3.19Å; R33-D36 VanDerWaalsContact O-N 3.16Å; D36-Y38 HydrophobicContact CB-CE2 4.21Å; D36-Y70 WeakPolarHBondContact OD1-CB 3.32Å; D36-H72 IonicContact OD1-NE2 3.31Å; D36-H72 PolarHBondContact OD1-NE2 3.05Å
37I93.1Very high84.6Confident21 Ų2193.4 Ų93.411%0.10846%0.46CS..EExtended strand (participates in β ladder)trans-120.3115.8-174.2-58.3159.9000108.7C52 L55 I69 Y70 H72I37-C52 HydrophobicContact CD1-CB 4.32Å; I37-L55 HydrophobicContact CD1-CD1 3.61Å; I37-L55 HydrophobicContact CG1-CD1 3.85Å; I37-I69 HydrophobicContact CD1-CB 3.94Å; I37-I69 HydrophobicContact CD1-CD1 3.7Å; I37-I69 HydrophobicContact CD1-CG1 4.27Å; I37-I69 HydrophobicContact CD1-CG2 4.33Å; I37-Y70 PolarHBondContact N-O 3.41Å; I37-H72 PolarHBondContact O-N 2.94Å
38Y93.4Very high85.8Confident89 Ų8992.3 Ų92.335%0.34945%0.451SS..EExtended strand (participates in β ladder)trans-94.8114.9177-65.7-90.8000110.5R32 D36 H72R32-Y38 HydrophobicContact CG-CE2 4.14Å; D36-Y38 HydrophobicContact CB-CE2 4.21Å; Y38-H72 HydrophobicContact CD1-CB 3.8Å; Y38-H72 HydrophobicContact CE1-CB 3.96Å; Y38-H72 AromaticContact CE1-CD2 3.84Å; Y38-H72 HydrophobicContact CG-CB 4.47Å; Y38-H72 AromaticContact CZ-CD2 3.78Å
39V94.6Very high87.3Confident13 Ų1386.6 Ų86.68%0.07942%0.421CS..  trans-79.4129.2179.3176.50000109.2I71 H72 A77 R80 A81 I84V39-I71 HydrophobicContact CG2-CG2 3.46Å; V39-I71 VanDerWaalsContact CG2-CG2 3.46Å; V39-H72 PolarHBondContact N-O 3.09Å; V39-A77 HydrophobicContact CG1-CB 4.39Å; V39-A77 WeakPolarHBondContact O-CB 3.45Å; V39-R80 HydrophobicContact CG1-CB 3.97Å; V39-R80 HydrophobicContact CG1-CG 3.69Å; V39-A81 HydrophobicContact CB-CB 4.43Å; V39-A81 HydrophobicContact CG2-CB 4.11Å; V39-I84 HydrophobicContact CG1-CD1 4.32Å; V39-I84 HydrophobicContact CG2-CD1 3.95Å
40N91.6Very high89Confident69 Ų6981.5 Ų81.537%0.36941%0.414SS..  trans-113.8165.9168.473.837.6000110K42 T43 Q48 R80N40-K42 PolarHBondContact OD1-N 2.82Å; N40-K42 VanDerWaalsContact OD1-N 3.11Å; N40-T43 PolarHBondContact ND2-OG1 2.77Å; N40-T43 VanDerWaalsContact OD1-CB 3.28Å; N40-T43 WeakPolarHBondContact OD1-CB 3.46Å; N40-T43 PolarHBondContact OD1-N 2.76Å; N40-T43 PolarHBondContact OD1-OG1 2.94Å; N40-Q48 PolarHBondContact O-NE2 3.31Å; N40-Q48 PolarHBondContact OD1-NE2 3.08Å; N40-R80 PolarHBondContact O-NE 3.18Å; N40-R80 PolarHBondContact O-NH1 3.08Å
41M93.6Very high90.5Very high97 Ų9785 Ų8548%0.47842%0.42SS..SBendtrans-86.6-17.5176.5-77.9-65.5158.500114.6L76 A77 R80M41-L76 WeakPolarHBondContact CE-O 3.31Å; M41-A77 VanDerWaalsContact CE-CA 3.47Å; M41-A77 HydrophobicContact CE-CB 4.34Å; M41-R80 HydrophobicContact CE-CB 3.34Å; M41-R80 HydrophobicContact CE-CG 4.24Å; M41-R80 PolarHBondContact O-NH1 2.96Å; M41-R80 VanDerWaalsContact O-NH1 3.12Å; M41-R80 HydrophobicContact SD-CB 4.39Å
42K93.3Very high92.2Very high205 Ų20579.6 Ų79.689%0.89139%0.386SS*.SBendtrans-82.4-36.4-171.7-63.5-174.3178.6-1750113.6N40N40-K42 PolarHBondContact OD1-N 2.82Å; N40-K42 VanDerWaalsContact OD1-N 3.11Å
43T93.9Very high93.2Very high51 Ų5175.7 Ų75.731%0.31337%0.374SS..SBendtrans-68.9151.6178.4-55.90000109.3N40 A47 Q48 R80N40-T43 PolarHBondContact ND2-OG1 2.77Å; N40-T43 VanDerWaalsContact OD1-CB 3.28Å; N40-T43 WeakPolarHBondContact OD1-CB 3.46Å; N40-T43 PolarHBondContact OD1-N 2.76Å; N40-T43 PolarHBondContact OD1-OG1 2.94Å; T43-A47 HydrophobicContact CG2-CB 4.4Å; T43-Q48 HydrophobicContact CG2-CG 3.84Å; T43-R80 PolarHBondContact O-NH1 3.43Å; T43-R80 PolarHBondContact O-NH2 2.96Å
44D96.9Very high93.7Very high98 Ų9874.6 Ų74.652%0.52437%0.373SS..  trans-60.8145173.5170.359000112.3K46 A47 Q48 R80D44-K46 WeakPolarHBondContact OD2-CA 3.27Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.42Å; D44-K46 PolarHBondContact OD2-N 2.86Å; D44-A47 HydrophobicContact CB-CB 4.04Å; D44-A47 PolarHBondContact OD2-N 3.08Å; D44-Q48 PolarHBondContact O-N 2.67Å; D44-R80 PolarHBondContact O-NH2 2.98Å
45F97Very high94.1Very high54 Ų5471.6 Ų71.624%0.23735%0.35CS..Hα-helixtrans-63.6-50.5-178.4178-94000111.8A47 Q48 L49 R80 N83 I84 Q87F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.19Å; F45-Q48 PolarHBondContact O-N 3.16Å; F45-Q48 VanDerWaalsContact O-N 3.13Å; F45-L49 HydrophobicContact CE1-CD2 4.33Å; F45-L49 PolarHBondContact O-N 3.18Å; F45-R80 HydrophobicContact CD2-CG 4.15Å; F45-R80 HydrophobicContact CE2-CG 4.41Å; F45-N83 HydrophobicContact CE2-CB 4.12Å; F45-N83 HydrophobicContact CZ-CB 4.43Å; F45-I84 HydrophobicContact CD2-CG1 4.39Å; F45-I84 HydrophobicContact CE2-CG1 3.67Å; F45-I84 HydrophobicContact CZ-CG1 4.16Å; F45-Q87 VanDerWaalsContact CE1-NE2 3.32Å
46K96.8Very high94.2Very high159 Ų15969.6 Ų69.669%0.69134%0.34SS*.Hα-helixtrans-63.1-38.4-177.6-169.1179.9-178.5177.80111D44 Q48 L49 A50D44-K46 WeakPolarHBondContact OD2-CA 3.27Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.42Å; D44-K46 PolarHBondContact OD2-N 2.86Å; K46-Q48 PolarHBondContact O-N 3.1Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-A50 VanDerWaalsContact O-CB 3.3Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.24Å
47A96.5Very high94.1Very high49 Ų4971.8 Ų71.841%0.40535%0.352SS..Hα-helixtrans-61.9-40.9175.100000113T43 D44 F45 R51T43-A47 HydrophobicContact CG2-CB 4.4Å; D44-A47 HydrophobicContact CB-CB 4.04Å; D44-A47 PolarHBondContact OD2-N 3.08Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.19Å; A47-R51 WeakPolarHBondContact O-CB 3.43Å; A47-R51 PolarHBondContact O-N 3.16Å; A47-R51 VanDerWaalsContact O-N 3.08Å
48Q96.5Very high93.3Very high16 Ų1671.2 Ų71.28%0.07535%0.35CS..Hα-helixtrans-69.5-42175.8-78.1-177-7.700112.2N40 T43 D44 F45 K46 R51 C52 I84N40-Q48 PolarHBondContact O-NE2 3.31Å; N40-Q48 PolarHBondContact OD1-NE2 3.08Å; T43-Q48 HydrophobicContact CG2-CG 3.84Å; D44-Q48 PolarHBondContact O-N 2.67Å; F45-Q48 PolarHBondContact O-N 3.16Å; F45-Q48 VanDerWaalsContact O-N 3.13Å; K46-Q48 PolarHBondContact O-N 3.1Å; Q48-R51 WeakPolarHBondContact O-CB 3.39Å; Q48-R51 PolarHBondContact O-N 3.09Å; Q48-C52 PolarHBondContact O-N 3.39Å; Q48-C52 PolarHBondContact O-SG 2.84Å; Q48-I84 HydrophobicContact CB-CD1 3.94Å
49L97.6Very high91.9Very high33 Ų3368.3 Ų68.317%0.17335%0.347CS..Hα-helixtrans-59.9-49.1175.7179.764.6000111.2F45 K46 R51 C52 Q53 I84 Q87 L88F45-L49 HydrophobicContact CE1-CD2 4.33Å; F45-L49 PolarHBondContact O-N 3.18Å; K46-L49 PolarHBondContact O-N 3.24Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.48Å; L49-C52 WeakPolarHBondContact O-CB 3.39Å; L49-C52 PolarHBondContact O-N 2.93Å; L49-C52 VanDerWaalsContact O-N 3.09Å; L49-Q53 PolarHBondContact O-N 2.75Å; L49-I84 HydrophobicContact CD1-CG2 4.06Å; L49-Q87 HydrophobicContact CD1-CB 4.05Å; L49-Q87 HydrophobicContact CD2-CB 4.26Å; L49-Q87 VanDerWaalsContact CD2-OE1 3.27Å; L49-L88 HydrophobicContact CD1-CD2 3.75Å; L49-L88 HydrophobicContact CD1-CG 3.79Å
50A95.1Very high90.1Very high58 Ų5873 Ų7348%0.47939%0.388SS..Hα-helixtrans-60.1-36.217800000112.3K46 K54K46-A50 VanDerWaalsContact O-CB 3.3Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.24Å; A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 2.99Å
51R93.4Very high88.4Confident164 Ų16479.9 Ų79.962%0.61941%0.409SS*.Hα-helixtrans-63.6-45.5173.8-177.6-173.7-63.8-149.8-1.8111.9A47 Q48 L49 Q53 K54 L55A47-R51 WeakPolarHBondContact O-CB 3.43Å; A47-R51 PolarHBondContact O-N 3.16Å; A47-R51 VanDerWaalsContact O-N 3.08Å; Q48-R51 WeakPolarHBondContact O-CB 3.39Å; Q48-R51 PolarHBondContact O-N 3.09Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.48Å; R51-Q53 VanDerWaalsContact C-N 3.35Å; R51-K54 PolarHBondContact O-N 2.8Å; R51-L55 PolarHBondContact O-N 3.34Å; R51-L55 VanDerWaalsContact O-N 3.16Å
52C95.2Very high86.8Confident1 Ų177.5 Ų77.51%0.00741%0.409CS..Hα-helixtrans-62.7-44.7178.5-59.70000110.8I37 Q48 L49 K54 L55 L56 I69 I84 L88I37-C52 HydrophobicContact CD1-CB 4.32Å; Q48-C52 PolarHBondContact O-N 3.39Å; Q48-C52 PolarHBondContact O-SG 2.84Å; L49-C52 WeakPolarHBondContact O-CB 3.39Å; L49-C52 PolarHBondContact O-N 2.93Å; L49-C52 VanDerWaalsContact O-N 3.09Å; C52-K54 PolarHBondContact O-N 2.87Å; C52-L55 PolarHBondContact O-N 3.04Å; C52-L56 PolarHBondContact O-N 3.3Å; C52-I69 HydrophobicContact CB-CD1 3.88Å; C52-I84 HydrophobicContact CB-CG2 4.27Å; C52-L88 HydrophobicContact CB-CD1 3.73Å; C52-L88 HydrophobicContact CB-CD2 4.29Å
53Q94.3Very high85.1Confident61 Ų6174.1 Ų74.129%0.28540%0.397SS..Hα-helixtrans-59.7-46.8176.6-17159.554.300111.5L49 R51 L55 L56 D57 L88L49-Q53 PolarHBondContact O-N 2.75Å; R51-Q53 VanDerWaalsContact C-N 3.35Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.84Å; Q53-L56 WeakPolarHBondContact O-CB 3.48Å; Q53-L56 PolarHBondContact O-N 3.11Å; Q53-L56 VanDerWaalsContact O-N 3.08Å; Q53-D57 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.18Å; Q53-D57 PolarHBondContact NE2-OD2 3.06Å; Q53-D57 PolarHBondContact O-N 2.8Å; Q53-L88 HydrophobicContact CB-CD2 4.12Å; Q53-L88 VanDerWaalsContact OE1-CD2 3.25Å
54K92.1Very high83.7Confident137 Ų13779 Ų7960%0.59642%0.42SS*.Hα-helixtrans-58.6-35.8178.1-173.9179.8178.9-179.60113.2A50 R51 C52 G58 G59A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 2.99Å; R51-K54 PolarHBondContact O-N 2.8Å; C52-K54 PolarHBondContact O-N 2.87Å; K54-G58 PolarHBondContact O-N 3.49Å; K54-G58 VanDerWaalsContact O-N 3.14Å; K54-G59 PolarHBondContact O-N 2.88Å; K54-G59 VanDerWaalsContact O-N 3.09Å
55L91.1Very high82.6Confident57 Ų5776.7 Ų76.730%0.29842%0.415SS..Hα-helixtrans-68.8-40176.6-74.9169.2000111.8I37 R51 C52 Q53 D57 C66 I69I37-L55 HydrophobicContact CD1-CD1 3.61Å; I37-L55 HydrophobicContact CG1-CD1 3.85Å; R51-L55 PolarHBondContact O-N 3.34Å; R51-L55 VanDerWaalsContact O-N 3.16Å; C52-L55 PolarHBondContact O-N 3.04Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.84Å; L55-D57 VanDerWaalsContact C-N 3.35Å; L55-C66 PolarHBondContact O-N 2.94Å; L55-C66 VanDerWaalsContact O-N 3.1Å; L55-I69 HydrophobicContact CB-CG2 4.09Å
56L91.4Very high81.7Confident1 Ų174.9 Ų74.91%0.00541%0.409CS..Hα-helixtrans-66.6-37.8175-73164.1000111.6C52 Q53 I69 L88 L96 V134 R136C52-L56 PolarHBondContact O-N 3.3Å; Q53-L56 WeakPolarHBondContact O-CB 3.48Å; Q53-L56 PolarHBondContact O-N 3.11Å; Q53-L56 VanDerWaalsContact O-N 3.08Å; L56-I69 HydrophobicContact CD1-CD1 3.77Å; L56-I69 HydrophobicContact CD1-CG1 4.31Å; L56-I69 HydrophobicContact CD2-CD1 4.37Å; L56-I69 HydrophobicContact CD2-CG1 4.11Å; L56-I69 HydrophobicContact CD2-CG2 4.14Å; L56-I69 HydrophobicContact CG-CD1 3.89Å; L56-I69 HydrophobicContact CG-CG1 4.18Å; L56-I69 HydrophobicContact CG-CG2 4.23Å; L56-L88 HydrophobicContact CD1-CD1 4.29Å; L56-L88 HydrophobicContact CD1-CD2 4.31Å; L56-L96 HydrophobicContact CD1-CD1 3.81Å; L56-L96 HydrophobicContact CD2-CD2 4.3Å; L56-V134 HydrophobicContact CD1-CG1 4.34Å; L56-R136 PolarHBondContact O-NH2 3.06Å
57D88.4Confident81.3Confident75 Ų7571.1 Ų71.140%0.40140%0.403SS..Hα-helixtrans-84.6-9.9-175.8-62.6-24.8000114.3Q53 L55 R136Q53-D57 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.18Å; Q53-D57 PolarHBondContact NE2-OD2 3.06Å; Q53-D57 PolarHBondContact O-N 2.8Å; L55-D57 VanDerWaalsContact C-N 3.35Å; D57-R136 IonicContact OD1-NH2 3.57Å
58G76.9Confident81.1Confident8 Ų870.6 Ų70.68%0.08239%0.392CS..THydrogen-bonded Turntrans75.229.9-179.600000114.2K54 G62 Q63K54-G58 PolarHBondContact O-N 3.49Å; K54-G58 VanDerWaalsContact O-N 3.14Å; G58-G62 CarbonylContact O-C 3.57Å; G58-G62 WeakPolarHBondContact O-CA 3.44Å; G58-G62 PolarHBondContact O-N 2.98Å; G58-Q63 CarbonylContact C-O 3.54Å; G58-Q63 PolarHBondContact O-N 3.44Å
59G64.2Low81.1Confident28 Ų2869.9 Ų69.929%0.28939%0.389SS..G310 helixtrans62.5-170-178.300000114.5K54 R61 G62K54-G59 PolarHBondContact O-N 2.88Å; K54-G59 VanDerWaalsContact O-N 3.09Å; G59-R61 PolarHBondContact O-N 3.37Å; G59-G62 PolarHBondContact O-N 2.89Å
60A56Low81Confident113 Ų11370.4 Ų70.493%0.93439%0.389SS*.G310 helixtrans-67.1-8-170.600000115.4
61R56.6Low81.1Confident213 Ų21367.6 Ų67.680%0.80437%0.366SS*.G310 helixtrans-120.16.3-179.8-63.6-170.2-178.7-170.40.4113.3G59 Q63G59-R61 PolarHBondContact O-N 3.37Å; R61-Q63 HydrophobicContact CB-CG 4.39Å; R61-Q63 PolarHBondContact O-N 3.44Å
62G60.4Low81.2Confident47 Ų4760.7 Ų60.749%0.48534%0.34SS..THydrogen-bonded Turntrans647.3-178.200000115.2G58 G59G58-G62 CarbonylContact O-C 3.57Å; G58-G62 WeakPolarHBondContact O-CA 3.44Å; G58-G62 PolarHBondContact O-N 2.98Å; G59-G62 PolarHBondContact O-N 2.89Å
63Q57Low81.2Confident134 Ų13460.8 Ų60.863%0.62634%0.341SS*.THydrogen-bonded Turntrans-84.6131179-66.4174.76.500108.9G58 R61G58-Q63 CarbonylContact C-O 3.54Å; G58-Q63 PolarHBondContact O-N 3.44Å; R61-Q63 HydrophobicContact CB-CG 4.39Å; R61-Q63 PolarHBondContact O-N 3.44Å
64N63.7Low81.2Confident152 Ų15260.4 Ų60.481%0.81334%0.341SS*.THydrogen-bonded Turntrans68.932.6-176.9-49.3-32.9000114.8C66N64-C66 PolarHBondContact O-N 3.42Å
65A73.9Confident81.4Confident50 Ų5055 Ų5541%0.41332%0.324SS..  trans-59.8124.9168.800000110.5
66C78.8Confident81.5Confident16 Ų1659.7 Ų59.711%0.10835%0.349CS..  trans-79128.6176.2-63.50000109.4N35 L55 N64 E68 I69N35-C66 VanDerWaalsContact CG-SG 3.56Å; N35-C66 PolarHBondContact OD1-SG 2.96Å; L55-C66 PolarHBondContact O-N 2.94Å; L55-C66 VanDerWaalsContact O-N 3.1Å; N64-C66 PolarHBondContact O-N 3.42Å; C66-E68 WeakPolarHBondContact CB-O 3.38Å; C66-E68 PolarHBondContact O-N 2.99Å; C66-I69 HydrophobicContact CB-CG2 4.05Å
67S88.8Confident81.8Confident81 Ų8160 Ų6057%0.56635%0.352SS*.SBendtrans-65.3-26.6170.253.70000111.9F135 R136S67-F135 WeakPolarHBondContact O-CA 3.37Å; S67-R136 PolarHBondContact O-N 3.31Å
68E93.1Very high82.2Confident38 Ų3858.1 Ų58.118%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-150.3151.217763.5-179.1-149.200112.6N35 C66 Y70 R133 V134 F135N35-E68 PolarHBondContact ND2-O 3.35Å; C66-E68 WeakPolarHBondContact CB-O 3.38Å; C66-E68 PolarHBondContact O-N 2.99Å; E68-Y70 HydrophobicContact CG-CE2 4.1Å; E68-Y70 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y70 WeakPolarHBondContact OE1-CE2 3.36Å; E68-Y70 PolarHBondContact OE1-OH 2.92Å; E68-R133 IonicContact OE2-CZ 3.11Å; E68-R133 IonicContact OE2-NE 2.75Å; E68-R133 PolarHBondContact OE2-NE 3.15Å; E68-R133 IonicContact OE2-NH2 2.67Å; E68-R133 PolarHBondContact OE2-NH2 3.03Å; E68-V134 CarbonylContact C-O 3.57Å; E68-V134 WeakPolarHBondContact CA-O 3.34Å; E68-V134 WeakPolarHBondContact CB-O 3.49Å; E68-F135 HydrophobicContact CB-CB 3.73Å
69I95.5Very high83.2Confident0 Ų063.9 Ų63.90%037%0.37CS..EExtended strand (participates in β ladder)trans-128156.6170.461.9173.9000110I37 C52 L55 L56 C66 I71 L88 V134I37-I69 HydrophobicContact CD1-CB 3.94Å; I37-I69 HydrophobicContact CD1-CD1 3.7Å; I37-I69 HydrophobicContact CD1-CG1 4.27Å; I37-I69 HydrophobicContact CD1-CG2 4.33Å; C52-I69 HydrophobicContact CB-CD1 3.88Å; L55-I69 HydrophobicContact CB-CG2 4.09Å; L56-I69 HydrophobicContact CD1-CD1 3.77Å; L56-I69 HydrophobicContact CD1-CG1 4.31Å; L56-I69 HydrophobicContact CD2-CD1 4.37Å; L56-I69 HydrophobicContact CD2-CG1 4.11Å; L56-I69 HydrophobicContact CD2-CG2 4.14Å; L56-I69 HydrophobicContact CG-CD1 3.89Å; L56-I69 HydrophobicContact CG-CG1 4.18Å; L56-I69 HydrophobicContact CG-CG2 4.23Å; C66-I69 HydrophobicContact CB-CG2 4.05Å; I69-I71 HydrophobicContact CD1-CD1 4.48Å; I69-I71 HydrophobicContact CD1-CG1 4.44Å; I69-L88 HydrophobicContact CD1-CD1 4.13Å; I69-V134 HydrophobicContact CD1-CB 4.46Å; I69-V134 HydrophobicContact CG1-CB 3.85Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 PolarHBondContact N-O 3.46Å; I69-V134 PolarHBondContact O-N 3.21Å
70Y95.8Very high84.8Confident44 Ų4463.7 Ų63.717%0.17336%0.36CS..EExtended strand (participates in β ladder)trans-118.5122176.1-66.1-95.4000109.7N35 D36 I37 E68 I132 R133N35-Y70 PolarHBondContact O-N 3.16Å; D36-Y70 WeakPolarHBondContact OD1-CB 3.32Å; I37-Y70 PolarHBondContact N-O 3.41Å; E68-Y70 HydrophobicContact CG-CE2 4.1Å; E68-Y70 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y70 WeakPolarHBondContact OE1-CE2 3.36Å; E68-Y70 PolarHBondContact OE1-OH 2.92Å; Y70-I132 CarbonylContact C-O 3.53Å; Y70-I132 WeakPolarHBondContact CA-O 3.29Å; Y70-R133 HydrophobicContact CD1-CB 3.91Å; Y70-R133 HydrophobicContact CD1-CG 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.64Å; Y70-R133 HydrophobicContact CE1-CG 3.57Å
71I96.6Very high86.8Confident0 Ų058.3 Ų58.30%032%0.316CS..EExtended strand (participates in β ladder)trans-102.2121.5179.3-55175.7000108.2V39 I69 A81 I84 A85 L88 I132 V134V39-I71 HydrophobicContact CG2-CG2 3.46Å; V39-I71 VanDerWaalsContact CG2-CG2 3.46Å; I69-I71 HydrophobicContact CD1-CD1 4.48Å; I69-I71 HydrophobicContact CD1-CG1 4.44Å; I71-A81 HydrophobicContact CG2-CB 3.76Å; I71-I84 HydrophobicContact CD1-CB 4.41Å; I71-I84 HydrophobicContact CD1-CG2 3.75Å; I71-A85 HydrophobicContact CD1-CB 4.21Å; I71-L88 HydrophobicContact CD1-CD1 4.01Å; I71-I132 HydrophobicContact CB-CB 4.4Å; I71-I132 PolarHBondContact N-O 3.14Å; I71-I132 PolarHBondContact O-N 3.21Å; I71-V134 HydrophobicContact CD1-CG2 3.88Å; I71-V134 HydrophobicContact CG1-CG2 4.38Å
72H96Very high88.8Confident19 Ų1951 Ų519%0.08829%0.292CS..EExtended strand (participates in β ladder)trans-109.6125.3-179.1-56.3-52.8000110.8D36 I37 Y38 V39 I130 H131D36-H72 IonicContact OD1-NE2 3.31Å; D36-H72 PolarHBondContact OD1-NE2 3.05Å; I37-H72 PolarHBondContact O-N 2.94Å; Y38-H72 HydrophobicContact CD1-CB 3.8Å; Y38-H72 HydrophobicContact CE1-CB 3.96Å; Y38-H72 AromaticContact CE1-CD2 3.84Å; Y38-H72 HydrophobicContact CG-CB 4.47Å; Y38-H72 AromaticContact CZ-CD2 3.78Å; V39-H72 PolarHBondContact N-O 3.09Å; H72-I130 WeakPolarHBondContact CA-O 3.47Å; H72-H131 AromaticContact CE1-ND1 3.34Å; H72-H131 PolarHBondContact CE1-ND1 2.7Å; H72-H131 VanDerWaalsContact CE1-ND1 3.34Å; H72-H131 AromaticContact CG-ND1 3.88Å; H72-H131 AromaticContact ND1-CE1 3.95Å; H72-H131 AromaticContact ND1-CG 3.59Å; H72-H131 AromaticContact ND1-ND1 2.88Å; H72-H131 PolarHBondContact ND1-ND1 2.88Å
73G95.4Very high90.6Very high2 Ų252 Ų522%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-121130.7172.700000110.4A129 I130G73-A129 CarbonylContact O-C 3.57Å; G73-A129 VanDerWaalsContact O-CA 3.26Å; G73-A129 WeakPolarHBondContact O-CA 3.22Å; G73-I130 PolarHBondContact N-O 3.04Å; G73-I130 PolarHBondContact O-N 2.88Å
74L94.6Very high92.6Very high53 Ų5345.6 Ų45.628%0.27726%0.257SS..EExtended strand (participates in β ladder)trans-112.8127.5176.4-179.269.9000110P27 L76 A77 V105 L107 N127 A129P27-L74 HydrophobicContact CG-CD2 3.69Å; L74-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact O-N 3.15Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 2.9Å; L74-V105 HydrophobicContact CD1-CB 3.75Å; L74-V105 HydrophobicContact CD1-CG1 4.2Å; L74-V105 HydrophobicContact CD1-CG2 4.02Å; L74-L107 HydrophobicContact CD2-CD1 4.34Å; L74-L107 HydrophobicContact CD2-CD2 4.11Å; L74-N127 HydrophobicContact CD1-CB 3.66Å; L74-N127 HydrophobicContact CG-CB 4.19Å; L74-A129 HydrophobicContact CD1-CB 4.05Å
75G94.7Very high94.3Very high23 Ų2338.5 Ų38.524%0.23722%0.219CC..G310 helixtrans50.8-117.7178.100000112.1A77 I78 S128G75-A77 PolarHBondContact O-N 3.3Å; G75-I78 VanDerWaalsContact O-CB 3.31Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 WeakPolarHBondContact O-CD1 3.32Å; G75-I78 WeakPolarHBondContact O-CG1 3.33Å; G75-I78 PolarHBondContact O-N 3.28Å; G75-S128 PolarHBondContact N-O 3.27Å
76L94.5Very high95.4Very high157 Ų15740.4 Ų40.482%0.82222%0.222SC*.G310 helixtrans-52.4-31.4178.5-63.3175.7000113.3M41 L74 I78M41-L76 WeakPolarHBondContact CE-O 3.31Å; L74-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact O-N 3.15Å; L76-I78 PolarHBondContact O-N 2.84Å
77A96.3Very high96.4Very high8 Ų843.4 Ų43.47%0.06623%0.234CC..G310 helixtrans-71.9-10.1-178.800000115.3V39 M41 L74 G75 R80 A81V39-A77 HydrophobicContact CG1-CB 4.39Å; V39-A77 WeakPolarHBondContact O-CB 3.45Å; M41-A77 VanDerWaalsContact CE-CA 3.47Å; M41-A77 HydrophobicContact CE-CB 4.34Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 2.9Å; G75-A77 PolarHBondContact O-N 3.3Å; A77-R80 PolarHBondContact O-N 2.85Å; A77-A81 PolarHBondContact O-N 3.39Å
78I97.8Very high96.8Very high34 Ų3439.6 Ų39.617%0.17421%0.207CC..Hα-helixtrans-58.8-52.4-178-71.1169.3000111.7G75 L76 R80 A81 I82 I130G75-I78 VanDerWaalsContact O-CB 3.31Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 WeakPolarHBondContact O-CD1 3.32Å; G75-I78 WeakPolarHBondContact O-CG1 3.33Å; G75-I78 PolarHBondContact O-N 3.28Å; L76-I78 PolarHBondContact O-N 2.84Å; I78-R80 PolarHBondContact O-N 2.82Å; I78-A81 WeakPolarHBondContact O-CB 3.38Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; I78-I82 HydrophobicContact CG2-CD1 3.75Å; I78-I82 HydrophobicContact CG2-CG1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.88Å; I78-I130 HydrophobicContact CB-CG2 4.25Å; I78-I130 HydrophobicContact CG1-CB 4.36Å; I78-I130 HydrophobicContact CG1-CG2 4Å; I78-I130 HydrophobicContact CG2-CB 4.34Å; I78-I130 HydrophobicContact CG2-CG2 4.01Å
79N98Very high97Very high129 Ų12940.9 Ų40.969%0.6921%0.213SC*.Hα-helixtrans-59.1-36-177.5-72-15.1000112.1N83N79-N83 WeakPolarHBondContact O-CB 3.43Å; N79-N83 PolarHBondContact O-N 2.98Å
80R98.1Very high97Very high25 Ų2544.6 Ų44.69%0.09424%0.244CC..Hα-helixtrans-73.2-39.7177.9-174.9172172170.1-0.3112.4V39 N40 M41 T43 D44 F45 A77 I78 I82 N83 I84V39-R80 HydrophobicContact CG1-CB 3.97Å; V39-R80 HydrophobicContact CG1-CG 3.69Å; N40-R80 PolarHBondContact O-NE 3.18Å; N40-R80 PolarHBondContact O-NH1 3.08Å; M41-R80 HydrophobicContact CE-CB 3.34Å; M41-R80 HydrophobicContact CE-CG 4.24Å; M41-R80 PolarHBondContact O-NH1 2.96Å; M41-R80 VanDerWaalsContact O-NH1 3.12Å; M41-R80 HydrophobicContact SD-CB 4.39Å; T43-R80 PolarHBondContact O-NH1 3.43Å; T43-R80 PolarHBondContact O-NH2 2.96Å; D44-R80 PolarHBondContact O-NH2 2.98Å; F45-R80 HydrophobicContact CD2-CG 4.15Å; F45-R80 HydrophobicContact CE2-CG 4.41Å; A77-R80 PolarHBondContact O-N 2.85Å; I78-R80 PolarHBondContact O-N 2.82Å; R80-I82 VanDerWaalsContact C-N 3.31Å; R80-I82 PolarHBondContact O-N 3.41Å; R80-N83 PolarHBondContact O-N 3.3Å; R80-I84 HydrophobicContact CG-CD1 4.32Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.5Å
81A98.2Very high97Very high0 Ų044.7 Ų44.70%026%0.259CS..Hα-helixtrans-59.2-44.517300000111.4V39 I71 A77 I78 I84 A85 I130 I132V39-A81 HydrophobicContact CB-CB 4.43Å; V39-A81 HydrophobicContact CG2-CB 4.11Å; I71-A81 HydrophobicContact CG2-CB 3.76Å; A77-A81 PolarHBondContact O-N 3.39Å; I78-A81 WeakPolarHBondContact O-CB 3.38Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; A81-I84 PolarHBondContact O-N 2.99Å; A81-A85 PolarHBondContact O-N 3.38Å; A81-I130 HydrophobicContact CB-CG2 4.13Å; A81-I132 HydrophobicContact CB-CD1 4.34Å
82I98.5Very high96.8Very high58 Ų5845.3 Ų45.330%0.29726%0.263SS..Hα-helixtrans-59.6-49174.9-65.8167.6000110.5I78 R80 I84 A85 L86 I130 I132I78-I82 HydrophobicContact CG2-CD1 3.75Å; I78-I82 HydrophobicContact CG2-CG1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.88Å; R80-I82 VanDerWaalsContact C-N 3.31Å; R80-I82 PolarHBondContact O-N 3.41Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 3.04Å; I82-A85 PolarHBondContact O-N 2.99Å; I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.46Å; I82-L86 PolarHBondContact O-N 3.21Å; I82-I130 HydrophobicContact CD1-CD1 4.02Å; I82-I130 HydrophobicContact CG1-CD1 3.85Å; I82-I132 HydrophobicContact CB-CD1 4.45Å; I82-I132 HydrophobicContact CG1-CD1 3.98Å
83N98.5Very high96.6Very high69 Ų6953.6 Ų53.637%0.36930%0.299SS..Hα-helixtrans-60.2-43.2-179.2-169.25000112.1F45 N79 R80 A85 L86 Q87F45-N83 HydrophobicContact CE2-CB 4.12Å; F45-N83 HydrophobicContact CZ-CB 4.43Å; N79-N83 WeakPolarHBondContact O-CB 3.43Å; N79-N83 PolarHBondContact O-N 2.98Å; R80-N83 PolarHBondContact O-N 3.3Å; N83-A85 PolarHBondContact O-N 3.49Å; N83-L86 PolarHBondContact O-N 3.36Å; N83-Q87 WeakPolarHBondContact O-CB 3.46Å; N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 2.87Å; N83-Q87 PolarHBondContact OD1-NE2 2.98Å
84I98.4Very high96.4Very high0 Ų055.6 Ų55.60%032%0.319CS..Hα-helixtrans-59.9-48.6175.3-67.1168.3000110.5V39 F45 Q48 L49 C52 I71 R80 A81 I82 L86 Q87 L88V39-I84 HydrophobicContact CG1-CD1 4.32Å; V39-I84 HydrophobicContact CG2-CD1 3.95Å; F45-I84 HydrophobicContact CD2-CG1 4.39Å; F45-I84 HydrophobicContact CE2-CG1 3.67Å; F45-I84 HydrophobicContact CZ-CG1 4.16Å; Q48-I84 HydrophobicContact CB-CD1 3.94Å; L49-I84 HydrophobicContact CD1-CG2 4.06Å; C52-I84 HydrophobicContact CB-CG2 4.27Å; I71-I84 HydrophobicContact CD1-CB 4.41Å; I71-I84 HydrophobicContact CD1-CG2 3.75Å; R80-I84 HydrophobicContact CG-CD1 4.32Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.5Å; A81-I84 PolarHBondContact O-N 2.99Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 3.04Å; I84-L86 PolarHBondContact O-N 2.87Å; I84-Q87 PolarHBondContact O-N 3.01Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.42Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.22Å
85A98.5Very high96.4Very high2 Ų254.7 Ų54.72%0.01732%0.318CS..Hα-helixtrans-61-43.2-178.600000112.6I71 A81 I82 N83 L88 Q89 V98 I132 V134I71-A85 HydrophobicContact CD1-CB 4.21Å; A81-A85 PolarHBondContact O-N 3.38Å; I82-A85 PolarHBondContact O-N 2.99Å; N83-A85 PolarHBondContact O-N 3.49Å; A85-L88 PolarHBondContact O-N 3.13Å; A85-Q89 WeakPolarHBondContact O-CB 3.39Å; A85-Q89 PolarHBondContact O-N 3.15Å; A85-V98 HydrophobicContact CB-CG1 4.33Å; A85-I132 HydrophobicContact CB-CB 4.37Å; A85-I132 HydrophobicContact CB-CD1 3.89Å; A85-I132 HydrophobicContact CB-CG2 3.68Å; A85-V134 HydrophobicContact CB-CG2 4.22Å
86L98.5Very high96.4Very high91 Ų9154 Ų5448%0.47631%0.308SS..Hα-helixtrans-66.9-39178.3-67.8177.4000112.2I82 N83 I84 Q89 A90I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.46Å; I82-L86 PolarHBondContact O-N 3.21Å; N83-L86 PolarHBondContact O-N 3.36Å; I84-L86 PolarHBondContact O-N 2.87Å; L86-Q89 PolarHBondContact O-N 3.03Å; L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 2.93Å
87Q98.3Very high96.6Very high78 Ų7851 Ų5136%0.36429%0.29SS..Hα-helixtrans-67.5-38.4176.2-73.1-170.533.600112.5F45 L49 N83 I84 G91F45-Q87 VanDerWaalsContact CE1-NE2 3.32Å; L49-Q87 HydrophobicContact CD1-CB 4.05Å; L49-Q87 HydrophobicContact CD2-CB 4.26Å; L49-Q87 VanDerWaalsContact CD2-OE1 3.27Å; N83-Q87 WeakPolarHBondContact O-CB 3.46Å; N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 2.87Å; N83-Q87 PolarHBondContact OD1-NE2 2.98Å; I84-Q87 PolarHBondContact O-N 3.01Å; Q87-G91 PolarHBondContact O-N 2.81Å
88L97.3Very high96.7Very high1 Ų152.9 Ų52.91%0.00530%0.301CS..Hα-helixtrans-62.1-46.5172.5-68.8169.4000111L49 C52 Q53 L56 I69 I71 I84 A85 G91 S92 L96L49-L88 HydrophobicContact CD1-CD2 3.75Å; L49-L88 HydrophobicContact CD1-CG 3.79Å; C52-L88 HydrophobicContact CB-CD1 3.73Å; C52-L88 HydrophobicContact CB-CD2 4.29Å; Q53-L88 HydrophobicContact CB-CD2 4.12Å; Q53-L88 VanDerWaalsContact OE1-CD2 3.25Å; L56-L88 HydrophobicContact CD1-CD1 4.29Å; L56-L88 HydrophobicContact CD1-CD2 4.31Å; I69-L88 HydrophobicContact CD1-CD1 4.13Å; I71-L88 HydrophobicContact CD1-CD1 4.01Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.42Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 3.13Å; L88-G91 PolarHBondContact O-N 3.35Å; L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.33Å; L88-S92 VanDerWaalsContact O-N 3.1Å; L88-L96 HydrophobicContact CB-CD1 4.28Å
89Q97.1Very high96.7Very high65 Ų6553.1 Ų53.130%0.30431%0.308SS..Hα-helixtrans-60.5-49.7178.6-172.4177.43000111.5A85 L86 G91 S92 V98A85-Q89 WeakPolarHBondContact O-CB 3.39Å; A85-Q89 PolarHBondContact O-N 3.15Å; L86-Q89 PolarHBondContact O-N 3.03Å; Q89-G91 PolarHBondContact O-N 3.03Å; Q89-S92 WeakPolarHBondContact O-CB 3.5Å; Q89-S92 PolarHBondContact O-N 2.77Å; Q89-S92 PolarHBondContact O-OG 3.29Å; Q89-V98 HydrophobicContact CB-CG1 4.12Å
90A96.6Very high96.7Very high79 Ų7950.2 Ų50.265%0.65330%0.302SS*.Hα-helixtrans-62.6-40.6179.500000112.4L86 S92L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 2.93Å; A90-S92 PolarHBondContact O-N 2.97Å
91G95.1Very high96.7Very high46 Ų4654.3 Ų54.347%0.47433%0.326SS..Hα-helixtrans-74.5-8.6178.300000114.9Q87 L88 Q89 F93Q87-G91 PolarHBondContact O-N 2.81Å; L88-G91 PolarHBondContact O-N 3.35Å; Q89-G91 PolarHBondContact O-N 3.03Å; G91-F93 WeakPolarHBondContact O-CD2 3.37Å; G91-F93 WeakPolarHBondContact O-CE2 3.35Å
92S92.9Very high96.6Very high13 Ų1360.1 Ų60.19%0.09136%0.361CS..THydrogen-bonded Turntrans-86.2-5.4-175.876.20000114.9L88 Q89 A90 G94 S95 L96L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.33Å; L88-S92 VanDerWaalsContact O-N 3.1Å; Q89-S92 WeakPolarHBondContact O-CB 3.5Å; Q89-S92 PolarHBondContact O-N 2.77Å; Q89-S92 PolarHBondContact O-OG 3.29Å; A90-S92 PolarHBondContact O-N 2.97Å; S92-G94 PolarHBondContact O-N 2.85Å; S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 WeakPolarHBondContact O-CB 3.42Å; S92-S95 PolarHBondContact O-N 2.74Å; S92-S95 VanDerWaalsContact O-N 3.07Å; S92-S95 PolarHBondContact O-OG 2.55Å; S92-S95 PolarHBondContact OG-N 2.81Å; S92-L96 WeakPolarHBondContact OG-CB 3.47Å; S92-L96 PolarHBondContact OG-N 3.38Å; S92-L96 VanDerWaalsContact OG-N 3.08Å
93F90.8Very high96.4Very high192 Ų19259.4 Ų59.484%0.84236%0.361SS*.THydrogen-bonded Turntrans50.340.3-175.8-54.2-79.8000113.3G91G91-F93 WeakPolarHBondContact O-CD2 3.37Å; G91-F93 WeakPolarHBondContact O-CE2 3.35Å
94G92.7Very high96.2Very high44 Ų4461 Ų6145%0.45437%0.374SS..THydrogen-bonded Turntrans88.31.2177.800000115.4S92S92-G94 PolarHBondContact O-N 2.85Å
95S93.4Very high95.9Very high34 Ų3462.4 Ų62.424%0.23838%0.382CS..SBendtrans-85.2-8.4178.766.30000114.6S92 R136 V137S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 WeakPolarHBondContact O-CB 3.42Å; S92-S95 PolarHBondContact O-N 2.74Å; S92-S95 VanDerWaalsContact O-N 3.07Å; S92-S95 PolarHBondContact O-OG 2.55Å; S92-S95 PolarHBondContact OG-N 2.81Å; S95-R136 WeakPolarHBondContact O-CA 3.3Å; S95-V137 PolarHBondContact O-N 2.94Å
96L96.1Very high95.5Very high8 Ų867.8 Ų67.84%0.04241%0.407CS..EExtended strand (participates in β ladder)trans-121.9145.1174.9-62.7176000112.4L56 L88 S92 V134 F135 R136L56-L96 HydrophobicContact CD1-CD1 3.81Å; L56-L96 HydrophobicContact CD2-CD2 4.3Å; L88-L96 HydrophobicContact CB-CD1 4.28Å; S92-L96 WeakPolarHBondContact OG-CB 3.47Å; S92-L96 PolarHBondContact OG-N 3.38Å; S92-L96 VanDerWaalsContact OG-N 3.08Å; L96-V134 HydrophobicContact CB-CG1 4.36Å; L96-V134 HydrophobicContact CD1-CG1 4.01Å; L96-V134 HydrophobicContact CD2-CG1 4.4Å; L96-F135 WeakPolarHBondContact CA-O 3.25Å; L96-R136 HydrophobicContact CD2-CG 3.83Å
97Q97.4Very high94.9Very high95 Ų9563.7 Ų63.744%0.44439%0.386SS..EExtended strand (participates in β ladder)trans-123.2161.4165.3-78.7-177.715.400111.1V134 F135 V137Q97-V134 WeakPolarHBondContact O-CA 3.44Å; Q97-F135 HydrophobicContact CB-CE1 3.97Å; Q97-F135 HydrophobicContact CB-CE2 3.95Å; Q97-F135 HydrophobicContact CB-CZ 3.6Å; Q97-F135 PolarHBondContact N-O 3.45Å; Q97-F135 WeakPolarHBondContact O-CD1 3.25Å; Q97-F135 PolarHBondContact O-N 2.99Å; Q97-V137 HydrophobicContact CB-CG1 3.98Å; Q97-V137 HydrophobicContact CB-CG2 4.5Å; Q97-V137 HydrophobicContact CG-CG1 3.92Å; Q97-V137 HydrophobicContact CG-CG2 3.85Å
98V98.1Very high94.4Very high47 Ų4762.2 Ų62.229%0.28538%0.382SS..EExtended strand (participates in β ladder)trans-125141.6-179.5-57.10000110.8A85 Q89 I132 R133 V134A85-V98 HydrophobicContact CB-CG1 4.33Å; Q89-V98 HydrophobicContact CB-CG1 4.12Å; V98-I132 HydrophobicContact CB-CG2 4.16Å; V98-R133 CarbonylContact C-O 3.5Å; V98-R133 VanDerWaalsContact CA-O 3.27Å; V98-R133 WeakPolarHBondContact CA-O 3.46Å; V98-V134 HydrophobicContact CG1-CG1 4.4Å; V98-V134 HydrophobicContact CG1-CG2 4.14Å
99A98.3Very high93.8Very high40 Ų4062.3 Ų62.333%0.33138%0.382SS..EExtended strand (participates in β ladder)trans-135.9132.717100000109.1I132 R133 F135A99-I132 CarbonylContact O-C 3.58Å; A99-I132 WeakPolarHBondContact O-CA 3.37Å; A99-R133 PolarHBondContact N-O 3.24Å; A99-R133 PolarHBondContact O-N 2.76Å; A99-F135 HydrophobicContact CB-CE1 4.25Å
100A97.5Very high93.2Very high68 Ų6861.5 Ų61.556%0.56238%0.379SS*.EExtended strand (participates in β ladder)trans-115.6137.6-174.600000111.9I130 H131 I132A100-I130 HydrophobicContact CB-CD1 4.23Å; A100-I130 HydrophobicContact CB-CG1 4.38Å; A100-H131 WeakPolarHBondContact CA-O 3.42Å; A100-I132 HydrophobicContact CB-CG1 4.35Å
101N97.6Very high92.5Very high111 Ų11158.3 Ų58.359%0.59435%0.351SS*.EExtended strand (participates in β ladder)trans-122.8149.6170.4-69.366.3000109.1I130 H131N101-I130 CarbonylContact O-C 3.55Å; N101-I130 WeakPolarHBondContact O-CA 3.31Å; N101-H131 PolarHBondContact N-O 3.12Å; N101-H131 PolarHBondContact O-N 2.77Å
102T97.1Very high91.9Very high121 Ų12159 Ų5974%0.74234%0.342SS*.EExtended strand (participates in β ladder)trans-112.3153.7175.755.50000110.6A129T102-A129 VanDerWaalsContact CA-O 3.31Å; T102-A129 WeakPolarHBondContact CA-O 3.49Å
103S94.9Very high91.4Very high43 Ų4359.9 Ų59.930%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-149.4168.2171.4710000110.6A129 H131S103-A129 PolarHBondContact N-O 3.47Å; S103-A129 PolarHBondContact O-N 2.97Å; S103-H131 PolarHBondContact OG-NE2 3.11Å
104T93.6Very high91Very high103 Ų10356.1 Ų56.163%0.63233%0.332SS*.EExtended strand (participates in β ladder)trans-107.3128170.6-60.30000108.3N126T104-N126 HydrophobicContact CG2-CB 3.77Å
105V91.3Very high90.3Very high30 Ų3057.2 Ų57.218%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-112.7119.6179.5178.90000108.9P27 L74 L107 N127 A129P27-V105 HydrophobicContact CB-CG1 4.01Å; L74-V105 HydrophobicContact CD1-CB 3.75Å; L74-V105 HydrophobicContact CD1-CG1 4.2Å; L74-V105 HydrophobicContact CD1-CG2 4.02Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; V105-N127 PolarHBondContact N-O 2.52Å; V105-N127 PolarHBondContact O-N 2.87Å; V105-A129 HydrophobicContact CG2-CB 3.68Å
106E90.4Very high89.5Confident114 Ų11464 Ų6453%0.53336%0.363SS..EExtended strand (participates in β ladder)trans-74.5133.4172.5-169.6-179.991.700110.3I124E106-I124 VanDerWaalsContact CD-CG2 3.45Å; E106-I124 HydrophobicContact CG-CG2 3.32Å
107L86.5Confident88.8Confident6 Ų669.5 Ų69.53%0.03140%0.398CS..EExtended strand (participates in β ladder)trans-122.1129.7178.1-53.3178.2000109P27 L74 V105 I124 R125 N127P27-L107 HydrophobicContact CB-CD2 3.48Å; P27-L107 VanDerWaalsContact CB-CD2 3.48Å; P27-L107 HydrophobicContact CG-CD2 3.44Å; P27-L107 VanDerWaalsContact CG-CD2 3.44Å; L74-L107 HydrophobicContact CD2-CD1 4.34Å; L74-L107 HydrophobicContact CD2-CD2 4.11Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; L107-I124 WeakPolarHBondContact O-CA 3.44Å; L107-R125 HydrophobicContact CB-CG 3.78Å; L107-R125 HydrophobicContact CD1-CG 4.31Å; L107-R125 HydrophobicContact CG-CG 4.46Å; L107-R125 PolarHBondContact N-O 2.81Å; L107-R125 PolarHBondContact O-N 3.05Å; L107-N127 HydrophobicContact CD1-CB 4.04Å; L107-N127 WeakPolarHBondContact CD1-ND2 3.27Å
108V86.9Confident87.8Confident47 Ų4769.4 Ų69.429%0.28539%0.393SS..EExtended strand (participates in β ladder)trans-102111.7174.8-174.80000107.9R25 T122 I124R25-V108 VanDerWaalsContact CB-O 3.27Å; R25-V108 WeakPolarHBondContact CB-O 3.42Å; V108-T122 HydrophobicContact CG1-CG2 4.46Å; V108-I124 HydrophobicContact CG2-CG1 4.48Å
109D84.9Confident87.1Confident2 Ų275 Ų751%0.01142%0.416CS..EExtended strand (participates in β ladder)trans-93.6146.1169-66.7-27.5000109.6L22 K24 T122 R123 R125L22-D109 HydrophobicContact CD1-CB 3.67Å; K24-D109 WeakPolarHBondContact CA-OD1 3.43Å; D109-T122 WeakPolarHBondContact O-CA 3.41Å; D109-R123 HydrophobicContact CB-CB 4.47Å; D109-R123 PolarHBondContact N-O 3.46Å; D109-R123 PolarHBondContact O-N 2.76Å; D109-R125 VanDerWaalsContact CG-NH2 3.33Å; D109-R125 IonicContact OD1-CZ 3.38Å; D109-R125 IonicContact OD1-NE 3.89Å; D109-R125 IonicContact OD1-NH1 3.06Å; D109-R125 IonicContact OD1-NH2 2.82Å; D109-R125 PolarHBondContact OD1-NH2 2.67Å; D109-R125 IonicContact OD2-CZ 3.27Å; D109-R125 IonicContact OD2-NE 3.35Å; D109-R125 PolarHBondContact OD2-NE 3.35Å; D109-R125 IonicContact OD2-NH1 2.91Å; D109-R125 PolarHBondContact OD2-NH1 2.89Å; D109-R125 IonicContact OD2-NH2 2.77Å; D109-R125 PolarHBondContact OD2-NH2 2.98Å
110E84.8Confident86.3Confident49 Ų4977.3 Ų77.323%0.22943%0.428CS..EExtended strand (participates in β ladder)trans-109.1133.5178.9-131.1163.4-150.800108.9R23 R25R23-E110 WeakPolarHBondContact CA-O 3.1Å; R23-E110 HydrophobicContact CB-CB 4.37Å; R23-E110 PolarHBondContact N-O 2.98Å; R23-E110 PolarHBondContact O-N 2.85Å; R25-E110 IonicContact CZ-OE1 2.87Å; R25-E110 IonicContact CZ-OE2 3.06Å; R25-E110 IonicContact NE-OE1 2.69Å; R25-E110 PolarHBondContact NE-OE1 2.77Å; R25-E110 IonicContact NE-OE2 3.07Å; R25-E110 PolarHBondContact NE-OE2 2.89Å; R25-E110 IonicContact NH1-OE1 3.43Å; R25-E110 PolarHBondContact NH1-OE1 3.05Å; R25-E110 IonicContact NH2-OE1 3.88Å; R25-E110 PolarHBondContact NH2-OE1 2.76Å; R25-E110 IonicContact NH2-OE2 2.73Å; R25-E110 PolarHBondContact NH2-OE2 3.06Å
111L81.5Confident85.7Confident12 Ų1277.9 Ų77.96%0.06342%0.421CS..EExtended strand (participates in β ladder)trans-112.3112.6179.8-66.3165.9000107.4L15 Y20 L22 P120 L121 R123L15-L111 HydrophobicContact CD1-CD1 4.15Å; Y20-L111 HydrophobicContact CD1-CB 4.14Å; L22-L111 HydrophobicContact CB-CD2 4.21Å; L22-L111 HydrophobicContact CD1-CD2 3.57Å; L22-L111 HydrophobicContact CD1-CG 4.38Å; L111-P120 WeakPolarHBondContact O-CA 3.27Å; L111-L121 HydrophobicContact CB-CB 3.96Å; L111-L121 WeakPolarHBondContact CB-O 3.33Å; L111-L121 HydrophobicContact CD1-CB 3.92Å; L111-L121 PolarHBondContact N-O 2.88Å; L111-L121 PolarHBondContact O-N 2.83Å; L111-R123 HydrophobicContact CD1-CB 4.32Å
112E83.4Confident85.2Confident61 Ų6177.1 Ų77.129%0.28542%0.421SS..EExtended strand (participates in β ladder)trans-94.4129.1176.2-71.6-176.4-175.300109.4Y20 T21 R23Y20-E112 CarbonylContact C-O 3.59Å; Y20-E112 WeakPolarHBondContact CA-O 3.49Å; T21-E112 PolarHBondContact N-O 2.69Å; T21-E112 PolarHBondContact O-N 2.73Å; R23-E112 VanDerWaalsContact CD-CD 3.47Å; R23-E112 VanDerWaalsContact CD-OE1 3.22Å; R23-E112 WeakPolarHBondContact CD-OE1 3.41Å; R23-E112 IonicContact CZ-OE1 3.22Å; R23-E112 IonicContact CZ-OE2 2.88Å; R23-E112 VanDerWaalsContact NE-CD 3.26Å; R23-E112 IonicContact NE-OE1 2.78Å; R23-E112 PolarHBondContact NE-OE1 3.27Å; R23-E112 IonicContact NE-OE2 2.7Å; R23-E112 PolarHBondContact NE-OE2 3.47Å; R23-E112 VanDerWaalsContact NH1-CD 3.34Å; R23-E112 IonicContact NH1-OE1 3.18Å; R23-E112 PolarHBondContact NH1-OE1 3.03Å; R23-E112 IonicContact NH1-OE2 3.54Å; R23-E112 PolarHBondContact NH1-OE2 2.91Å; R23-E112 IonicContact NH2-OE1 2.94Å; R23-E112 IonicContact NH2-OE2 3.57Å; R23-E112 PolarHBondContact NH2-OE2 3.22Å
113P83.2Confident84.6Confident30 Ų3077.5 Ų77.520%0.19541%0.408CS..EExtended strand (participates in β ladder)trans-72.8144.4176.627.5-30.3000110.9Y20 T115 R118Y20-P113 HydrophobicContact CD1-CB 3.99Å; Y20-P113 HydrophobicContact CE1-CB 3.69Å; Y20-P113 HydrophobicContact CE1-CG 4.41Å; P113-T115 PolarHBondContact O-N 2.94Å; P113-R118 HydrophobicContact CB-CB 3.72Å; P113-R118 HydrophobicContact CG-CB 4.18Å; P113-R118 VanDerWaalsContact CG-O 3.29Å; P113-R118 WeakPolarHBondContact CG-O 3.28Å
114E81.4Confident84.3Confident114 Ų11480 Ų8053%0.53342%0.418SS..SBendtrans-79-0.2174.3-65.9-62.8148.500113E19 T21E19-E114 PolarHBondContact O-N 2.73Å; E19-E114 VanDerWaalsContact O-N 3.15Å; T21-E114 VanDerWaalsContact CB-OE1 3.25Å; T21-E114 WeakPolarHBondContact CB-OE1 3.17Å; T21-E114 PolarHBondContact OG1-OE1 3.31Å
115T77.6Confident84.1Confident66 Ų6678.6 Ų78.641%0.40540%0.4SS..SBendtrans-133.2145179.770.20000111.1P113 T117 R118P113-T115 PolarHBondContact O-N 2.94Å; T115-T117 PolarHBondContact O-N 3.31Å; T115-T117 PolarHBondContact OG1-OG1 2.78Å; T115-T117 VanDerWaalsContact OG1-OG1 3.14Å; T115-R118 PolarHBondContact O-N 3.4Å
116D77.9Confident84.1Confident177 Ų17782.1 Ų82.195%0.94742%0.419SS*.THydrogen-bonded Turntrans-68.3-5.7-179.8-62.5-28.1000114R118D116-R118 VanDerWaalsContact C-N 3.35Å
117T80Confident84.2Confident124 Ų12479.2 Ų79.276%0.76141%0.407SS*.THydrogen-bonded Turntrans-86.2-6.4-176.663.90000113.9T115T115-T117 PolarHBondContact O-N 3.31Å; T115-T117 PolarHBondContact OG1-OG1 2.78Å; T115-T117 VanDerWaalsContact OG1-OG1 3.14Å
118R77.7Confident84.7Confident92 Ų9282.7 Ų82.735%0.34743%0.431SS..SBendtrans-124.4154.5-173.3-63.7-177.3-177.6-175.30.1110.9E19 Y20 P113 T115 D116E19-R118 IonicContact OE1-CZ 2.74Å; E19-R118 IonicContact OE1-NH1 2.55Å; E19-R118 PolarHBondContact OE1-NH1 2.72Å; E19-R118 IonicContact OE1-NH2 2.81Å; E19-R118 PolarHBondContact OE1-NH2 3.2Å; E19-R118 IonicContact OE2-CZ 3.44Å; E19-R118 IonicContact OE2-NH1 3.24Å; E19-R118 PolarHBondContact OE2-NH1 2.69Å; E19-R118 IonicContact OE2-NH2 2.76Å; Y20-R118 WeakPolarHBondContact OH-CD 3.48Å; P113-R118 HydrophobicContact CB-CB 3.72Å; P113-R118 HydrophobicContact CG-CB 4.18Å; P113-R118 VanDerWaalsContact CG-O 3.29Å; P113-R118 WeakPolarHBondContact CG-O 3.28Å; T115-R118 PolarHBondContact O-N 3.4Å; D116-R118 VanDerWaalsContact C-N 3.35Å
119E82.8Confident85.1Confident164 Ų16480.7 Ų80.777%0.76642%0.42SS*.  trans-92.5152.1178.7-65.2-174.9164.800111.4
120P82.1Confident85.7Confident90 Ų9081.4 Ų81.458%0.58442%0.423SS*.  trans-59.7139.3170.6-21.432.7000112.1L111L111-P120 WeakPolarHBondContact O-CA 3.27Å
121L85.1Confident86.3Confident79 Ų7980.8 Ų80.841%0.41442%0.42SS..EExtended strand (participates in β ladder)trans-110.3146.4177.1-68.8163.4000110.6Y20 L111Y20-L121 HydrophobicContact CD1-CD1 4.48Å; Y20-L121 HydrophobicContact CE1-CD1 3.79Å; Y20-L121 HydrophobicContact CE1-CG 4.33Å; Y20-L121 HydrophobicContact CE2-CD1 4.3Å; L111-L121 HydrophobicContact CB-CB 3.96Å; L111-L121 WeakPolarHBondContact CB-O 3.33Å; L111-L121 HydrophobicContact CD1-CB 3.92Å; L111-L121 PolarHBondContact N-O 2.88Å; L111-L121 PolarHBondContact O-N 2.83Å
122T85.6Confident87.1Confident96 Ų9680.5 Ų80.559%0.58942%0.419SS*.EExtended strand (participates in β ladder)trans-107.9128.6172.153.60000110.4V108 D109V108-T122 HydrophobicContact CG1-CG2 4.46Å; D109-T122 WeakPolarHBondContact O-CA 3.41Å
123R85.8Confident87.7Confident129 Ų12982.2 Ų82.249%0.48742%0.423SS..EExtended strand (participates in β ladder)trans-111.4123.3173.5-176.7174.5-176.1162.24.1110.1D109 L111D109-R123 HydrophobicContact CB-CB 4.47Å; D109-R123 PolarHBondContact N-O 3.46Å; D109-R123 PolarHBondContact O-N 2.76Å; L111-R123 HydrophobicContact CD1-CB 4.32Å
124I87.7Confident88.4Confident96 Ų9680.8 Ų80.849%0.49241%0.414SS..EExtended strand (participates in β ladder)trans-94.7132.8174.7-57.5179.4000109E106 L107 V108E106-I124 VanDerWaalsContact CD-CG2 3.45Å; E106-I124 HydrophobicContact CG-CG2 3.32Å; L107-I124 WeakPolarHBondContact O-CA 3.44Å; V108-I124 HydrophobicContact CG2-CG1 4.48Å
125R89.4Confident89.1Confident72 Ų7277.2 Ų77.227%0.27240%0.396SS..EExtended strand (participates in β ladder)trans-136.5153.517368.1177178.9-145.7-13.7111.2L107 D109L107-R125 HydrophobicContact CB-CG 3.78Å; L107-R125 HydrophobicContact CD1-CG 4.31Å; L107-R125 HydrophobicContact CG-CG 4.46Å; L107-R125 PolarHBondContact N-O 2.81Å; L107-R125 PolarHBondContact O-N 3.05Å; D109-R125 VanDerWaalsContact CG-NH2 3.33Å; D109-R125 IonicContact OD1-CZ 3.38Å; D109-R125 IonicContact OD1-NE 3.89Å; D109-R125 IonicContact OD1-NH1 3.06Å; D109-R125 IonicContact OD1-NH2 2.82Å; D109-R125 PolarHBondContact OD1-NH2 2.67Å; D109-R125 IonicContact OD2-CZ 3.27Å; D109-R125 IonicContact OD2-NE 3.35Å; D109-R125 PolarHBondContact OD2-NE 3.35Å; D109-R125 IonicContact OD2-NH1 2.91Å; D109-R125 PolarHBondContact OD2-NH1 2.89Å; D109-R125 IonicContact OD2-NH2 2.77Å; D109-R125 PolarHBondContact OD2-NH2 2.98Å
126N91.4Very high89.9Confident105 Ų10579.2 Ų79.256%0.56140%0.396SS*.EExtended strand (participates in β ladder)trans-108.2130.4178.2-69.7-38.1000110.7T104T104-N126 HydrophobicContact CG2-CB 3.77Å
127N93.5Very high90.7Very high53 Ų5372.5 Ų72.528%0.28336%0.362SS..EExtended strand (participates in β ladder)trans-117.3140.9171.3-86.86.4000110.4L74 V105 L107L74-N127 HydrophobicContact CD1-CB 3.66Å; L74-N127 HydrophobicContact CG-CB 4.19Å; V105-N127 PolarHBondContact N-O 2.52Å; V105-N127 PolarHBondContact O-N 2.87Å; L107-N127 HydrophobicContact CD1-CB 4.04Å; L107-N127 WeakPolarHBondContact CD1-ND2 3.27Å
128S96.2Very high91Very high78 Ų7872.8 Ų72.855%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-66.2144.2167.7-50.80000110.5G75G75-S128 PolarHBondContact N-O 3.27Å
129A96.1Very high91.1Very high5 Ų572 Ų724%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-129.8150.8171.900000111.1G73 L74 T102 S103 V105G73-A129 CarbonylContact O-C 3.57Å; G73-A129 VanDerWaalsContact O-CA 3.26Å; G73-A129 WeakPolarHBondContact O-CA 3.22Å; L74-A129 HydrophobicContact CD1-CB 4.05Å; T102-A129 VanDerWaalsContact CA-O 3.31Å; T102-A129 WeakPolarHBondContact CA-O 3.49Å; S103-A129 PolarHBondContact N-O 3.47Å; S103-A129 PolarHBondContact O-N 2.97Å; V105-A129 HydrophobicContact CG2-CB 3.68Å
130I97.1Very high90.4Very high17 Ų1777.5 Ų77.59%0.08739%0.392CS..EExtended strand (participates in β ladder)trans-118.8140.9171.1-161.4170.8000109.5H72 G73 I78 A81 I82 A100 N101 I132H72-I130 WeakPolarHBondContact CA-O 3.47Å; G73-I130 PolarHBondContact N-O 3.04Å; G73-I130 PolarHBondContact O-N 2.88Å; I78-I130 HydrophobicContact CB-CG2 4.25Å; I78-I130 HydrophobicContact CG1-CB 4.36Å; I78-I130 HydrophobicContact CG1-CG2 4Å; I78-I130 HydrophobicContact CG2-CB 4.34Å; I78-I130 HydrophobicContact CG2-CG2 4.01Å; A81-I130 HydrophobicContact CB-CG2 4.13Å; I82-I130 HydrophobicContact CD1-CD1 4.02Å; I82-I130 HydrophobicContact CG1-CD1 3.85Å; A100-I130 HydrophobicContact CB-CD1 4.23Å; A100-I130 HydrophobicContact CB-CG1 4.38Å; N101-I130 CarbonylContact O-C 3.55Å; N101-I130 WeakPolarHBondContact O-CA 3.31Å; I130-I132 HydrophobicContact CD1-CD1 4.11Å; I130-I132 HydrophobicContact CD1-CG1 3.99Å; I130-I132 HydrophobicContact CG1-CD1 4.48Å; I130-I132 HydrophobicContact CG1-CG1 3.93Å; I130-I132 HydrophobicContact CG2-CD1 4.46Å; I130-I132 HydrophobicContact CG2-CG1 4.41Å
131H96.4Very high90.8Very high36 Ų3676.9 Ų76.917%0.16738%0.382CS..EExtended strand (participates in β ladder)trans-123.9110.1174.4-48.3-92.2000107.5H72 A100 N101 S103H72-H131 AromaticContact CE1-ND1 3.34Å; H72-H131 PolarHBondContact CE1-ND1 2.7Å; H72-H131 VanDerWaalsContact CE1-ND1 3.34Å; H72-H131 AromaticContact CG-ND1 3.88Å; H72-H131 AromaticContact ND1-CE1 3.95Å; H72-H131 AromaticContact ND1-CG 3.59Å; H72-H131 AromaticContact ND1-ND1 2.88Å; H72-H131 PolarHBondContact ND1-ND1 2.88Å; A100-H131 WeakPolarHBondContact CA-O 3.42Å; N101-H131 PolarHBondContact N-O 3.12Å; N101-H131 PolarHBondContact O-N 2.77Å; S103-H131 PolarHBondContact OG-NE2 3.11Å
132I98.1Very high91.1Very high7 Ų776.7 Ų76.74%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-107.4111.7-177.5-50172.9000108.2Y70 I71 A81 I82 A85 V98 A99 A100 I130 V134Y70-I132 CarbonylContact C-O 3.53Å; Y70-I132 WeakPolarHBondContact CA-O 3.29Å; I71-I132 HydrophobicContact CB-CB 4.4Å; I71-I132 PolarHBondContact N-O 3.14Å; I71-I132 PolarHBondContact O-N 3.21Å; A81-I132 HydrophobicContact CB-CD1 4.34Å; I82-I132 HydrophobicContact CB-CD1 4.45Å; I82-I132 HydrophobicContact CG1-CD1 3.98Å; A85-I132 HydrophobicContact CB-CB 4.37Å; A85-I132 HydrophobicContact CB-CD1 3.89Å; A85-I132 HydrophobicContact CB-CG2 3.68Å; V98-I132 HydrophobicContact CB-CG2 4.16Å; A99-I132 CarbonylContact O-C 3.58Å; A99-I132 WeakPolarHBondContact O-CA 3.37Å; A100-I132 HydrophobicContact CB-CG1 4.35Å; I130-I132 HydrophobicContact CD1-CD1 4.11Å; I130-I132 HydrophobicContact CD1-CG1 3.99Å; I130-I132 HydrophobicContact CG1-CD1 4.48Å; I130-I132 HydrophobicContact CG1-CG1 3.93Å; I130-I132 HydrophobicContact CG2-CD1 4.46Å; I130-I132 HydrophobicContact CG2-CG1 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å
133R97.5Very high91.4Very high97 Ų9775.7 Ų75.737%0.36637%0.369SS..EExtended strand (participates in β ladder)trans-78123.4169-174.4-175.9176.7-163.2-0.1108.4E68 Y70 V98 A99 F135E68-R133 IonicContact OE2-CZ 3.11Å; E68-R133 IonicContact OE2-NE 2.75Å; E68-R133 PolarHBondContact OE2-NE 3.15Å; E68-R133 IonicContact OE2-NH2 2.67Å; E68-R133 PolarHBondContact OE2-NH2 3.03Å; Y70-R133 HydrophobicContact CD1-CB 3.91Å; Y70-R133 HydrophobicContact CD1-CG 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.64Å; Y70-R133 HydrophobicContact CE1-CG 3.57Å; V98-R133 CarbonylContact C-O 3.5Å; V98-R133 VanDerWaalsContact CA-O 3.27Å; V98-R133 WeakPolarHBondContact CA-O 3.46Å; A99-R133 PolarHBondContact N-O 3.24Å; A99-R133 PolarHBondContact O-N 2.76Å; R133-F135 HydrophobicContact CG-CD1 3.92Å
134V97.4Very high91.8Very high0 Ų072.5 Ų72.50%036%0.362CS..EExtended strand (participates in β ladder)trans-114.1119.1172.4-174.20000107.3L56 E68 I69 I71 A85 L96 Q97 V98 I132L56-V134 HydrophobicContact CD1-CG1 4.34Å; E68-V134 CarbonylContact C-O 3.57Å; E68-V134 WeakPolarHBondContact CA-O 3.34Å; E68-V134 WeakPolarHBondContact CB-O 3.49Å; I69-V134 HydrophobicContact CD1-CB 4.46Å; I69-V134 HydrophobicContact CG1-CB 3.85Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 PolarHBondContact N-O 3.46Å; I69-V134 PolarHBondContact O-N 3.21Å; I71-V134 HydrophobicContact CD1-CG2 3.88Å; I71-V134 HydrophobicContact CG1-CG2 4.38Å; A85-V134 HydrophobicContact CB-CG2 4.22Å; L96-V134 HydrophobicContact CB-CG1 4.36Å; L96-V134 HydrophobicContact CD1-CG1 4.01Å; L96-V134 HydrophobicContact CD2-CG1 4.4Å; Q97-V134 WeakPolarHBondContact O-CA 3.44Å; V98-V134 HydrophobicContact CG1-CG1 4.4Å; V98-V134 HydrophobicContact CG1-CG2 4.14Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å
135F95.7Very high92Very high39 Ų3971.1 Ų71.117%0.17135%0.354CS..EExtended strand (participates in β ladder)trans-140.2149.5-169.661.8-81.8000112.3S67 E68 L96 Q97 A99 R133 V137S67-F135 WeakPolarHBondContact O-CA 3.37Å; E68-F135 HydrophobicContact CB-CB 3.73Å; L96-F135 WeakPolarHBondContact CA-O 3.25Å; Q97-F135 HydrophobicContact CB-CE1 3.97Å; Q97-F135 HydrophobicContact CB-CE2 3.95Å; Q97-F135 HydrophobicContact CB-CZ 3.6Å; Q97-F135 PolarHBondContact N-O 3.45Å; Q97-F135 WeakPolarHBondContact O-CD1 3.25Å; Q97-F135 PolarHBondContact O-N 2.99Å; A99-F135 HydrophobicContact CB-CE1 4.25Å; R133-F135 HydrophobicContact CG-CD1 3.92Å; F135-V137 HydrophobicContact CD2-CG1 3.79Å; F135-V137 HydrophobicContact CE2-CG1 3.51Å; F135-V137 HydrophobicContact CZ-CG1 4.49Å
136R94.5Very high92.2Very high107 Ų10771 Ų7140%0.40436%0.359SS..EExtended strand (participates in β ladder)trans-70.2139.3178.3-67.8-176.9178.9-82.71.5111.5L56 D57 S67 S95 L96L56-R136 PolarHBondContact O-NH2 3.06Å; D57-R136 IonicContact OD1-NH2 3.57Å; S67-R136 PolarHBondContact O-N 3.31Å; S95-R136 WeakPolarHBondContact O-CA 3.3Å; L96-R136 HydrophobicContact CD2-CG 3.83Å
137V94.1Very high92.3Very high36 Ų3668.6 Ų68.622%0.21835%0.345CS..  trans-133.3155173-63.60000110S95 Q97 F135 P139S95-V137 PolarHBondContact O-N 2.94Å; Q97-V137 HydrophobicContact CB-CG1 3.98Å; Q97-V137 HydrophobicContact CB-CG2 4.5Å; Q97-V137 HydrophobicContact CG-CG1 3.92Å; Q97-V137 HydrophobicContact CG-CG2 3.85Å; F135-V137 HydrophobicContact CD2-CG1 3.79Å; F135-V137 HydrophobicContact CE2-CG1 3.51Å; F135-V137 HydrophobicContact CZ-CG1 4.49Å; V137-P139 WeakPolarHBondContact O-CD 3.33Å
138T87.4Confident92.2Very high131 Ų13169.8 Ų69.880%0.80435%0.349SS*.  trans-71124.1169.3-47.40000108.6
139P79.1Confident91.8Very high76 Ų7669.1 Ų69.149%0.49433%0.333SS..  trans-57.5144.5173.5-22.233.4000110.5V137V137-P139 WeakPolarHBondContact O-CD 3.33Å
140K68.7Low91.5Very high278 Ų27874.9 Ų74.9100%1.20936%0.36SS*.  trans-80.20173.6-70.8-174.6178.8-179.10111.2

Retrieved 140 of 140 residues in 269.5 ms (Link to these results)