A0A087YQ00_POEFO 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 , UniProt , Accession A0A087YQ00, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 151 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
1M40.1Very low42.8Very low236 Ų236148.3 Ų148.3100%1.16383%0.828SS**  0115.20-84.2162.915500106.3
2T42.6Very low43.5Very low128 Ų128145.7 Ų145.779%0.78582%0.818SS**  cis-173.7131.45.5-170000103.5
3E45.2Very low43.4Very low170 Ų170143.2 Ų143.279%0.79481%0.812SS**  trans-61.1159.4152.7-91.617886.300108.8
4P54.2Low43.3Very low126 Ų126146.1 Ų146.182%0.81882%0.815SS**  -136.8144.8113.430.4-14.8000115.7
5R40.7Very low43.4Very low224 Ų224143.6 Ų143.685%0.84581%0.812SS**  trans-42.4134.4166.7-70.4164.3168.6172.8-5.2117.4
6N46.2Very low43.3Very low147 Ų147144 Ų14479%0.78681%0.811SS**  23.7140.1127.7-141.116.7000120.8
7P46Very low43.2Very low128 Ų128141.1 Ų141.183%0.83180%0.8SS**  -145.7165.988.137-19.7000112.2
8G34.3Very low43.1Very low56 Ų56139.2 Ų139.258%0.57780%0.797SS**  cis154.8139.812.200000107.5
9M38Very low43Very low192 Ų192140.5 Ų140.595%0.94680%0.795SS**  trans72.5127.8164.3-50.8178.785.300116.9
10S37.9Very low43Very low105 Ų105139.7 Ų139.773%0.73479%0.793SS**  cis-164.6127.94730.60000110.4V12S10-V12 PolarHBondContact O-N 3.32Å
11S45.2Very low42.9Very low119 Ų119141.2 Ų141.283%0.83279%0.793SS**  trans-74.9106.7169.251.10000109.3
12V51.8Low43.1Very low117 Ų117134.9 Ų134.971%0.70977%0.772SS**  trans-80.7121.5167.3-176.20000107.8S10 Q14S10-V12 PolarHBondContact O-N 3.32Å; V12-Q14 PolarHBondContact O-N 3.09Å
13P42Very low43.2Very low113 Ų113133.2 Ų133.273%0.73477%0.766SS**  trans-73.4110.9168.928.4-28000108S15P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 2.92Å
14Q41.5Very low43.3Very low184 Ų184130.4 Ų130.486%0.8677%0.765SS**  trans-67.498.4164.2-81.8-179-22.900107.8V12 N16V12-Q14 PolarHBondContact O-N 3.09Å; Q14-N16 PolarHBondContact O-N 2.88Å
15S45Very low42.9Very low109 Ų109132.4 Ų132.476%0.76276%0.764SS**  trans-71.7100.7164.5400000107.6P13 P17P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 2.92Å; S15-P17 WeakPolarHBondContact O-CD 3.31Å
16N41.5Very low43.4Very low150 Ų150126.2 Ų126.280%0.80276%0.761SS**  trans-64.3122162.5-111.45.2000107.1Q14 S18Q14-N16 PolarHBondContact O-N 2.88Å; N16-S18 PolarHBondContact O-N 3.05Å
17P42.8Very low43.8Very low95 Ų95124.8 Ų124.862%0.61776%0.757SS**  trans-65.6115.1167.927.2-28.7000106.6S15 H19S15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 3.28Å
18S41.3Very low44.2Very low106 Ų106128 Ų12874%0.74176%0.761SS**  trans-60.893.5165.454.50000107.6N16 T20N16-S18 PolarHBondContact O-N 3.05Å; S18-T20 PolarHBondContact O-N 3.31Å
19H41Very low45.2Very low164 Ų164130.1 Ų130.176%0.75976%0.757SS**  trans-63.298.4158.1-82.8-76.4000106.2P17 E21P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 3.28Å; H19-E21 PolarHBondContact O-N 2.92Å
20T42.4Very low46.1Very low124 Ų124125 Ų12576%0.76173%0.734SS**  trans-62.785.8160.2-51.80000105.9S18 S22S18-T20 PolarHBondContact O-N 3.31Å; T20-S22 PolarHBondContact O-N 3.47Å
21E40.7Very low47Very low172 Ų172125.3 Ų125.380%0.80473%0.733SS**  trans-59.5100.8157.6-72.2-173.6164.600105.1H19 S23H19-E21 PolarHBondContact O-N 2.92Å; E21-S23 PolarHBondContact O-N 3.49Å
22S44.8Very low47.7Very low103 Ų103124.4 Ų124.472%0.7272%0.722SS**  trans-6385.7159.238.30000105.3T20 S24T20-S22 PolarHBondContact O-N 3.47Å; S22-S24 PolarHBondContact O-N 3.48Å
23S44.8Very low48.2Very low93 Ų93123.2 Ų123.265%0.6571%0.709SS**  trans-59101.6163.467.10000104.5E21 Q25E21-S23 PolarHBondContact O-N 3.49Å; S23-Q25 PolarHBondContact O-N 2.9Å
24S47.8Very low49.2Very low112 Ų112120.9 Ų120.978%0.78369%0.686SS**  trans-61.194.7161.84.20000102.5S22 A26S22-S24 PolarHBondContact O-N 3.48Å; S24-A26 PolarHBondContact O-N 2.97Å
25Q46Very low50.6Low167 Ų167115.2 Ų115.278%0.7866%0.664SS**  trans-54.8102.5171.6-77.1-178.3-25.700104.7S23 V27S23-Q25 PolarHBondContact O-N 2.9Å; Q25-V27 PolarHBondContact O-N 2.82Å
26A49.5Very low51.9Low95 Ų95113.9 Ų113.979%0.78565%0.648SS**  trans-61.798.5163.600000103.5S24 E28S24-A26 PolarHBondContact O-N 2.97Å; A26-E28 PolarHBondContact O-N 2.85Å
27V55.5Low53.5Low117 Ų117113.3 Ų113.371%0.70963%0.634SS**  trans-52.7109.5175.1-177.80000105.1Q25 M29Q25-V27 PolarHBondContact O-N 2.82Å; V27-M29 VanDerWaalsContact C-N 3.29Å; V27-M29 HydrophobicContact CG1-CG 4.33Å; V27-M29 PolarHBondContact O-N 3.04Å
28E53.9Low55.1Low196 Ų196115.1 Ų115.192%0.91663%0.633SS**  trans-71.894.9176.2-165.7172.5-172.100105.5A26A26-E28 PolarHBondContact O-N 2.85Å
29M55.8Low56.5Low100 Ų100116 Ų11649%0.49362%0.62SS.*  trans-76.2126-168.9-71.6165.560.600111.1V27 P31 L120V27-M29 VanDerWaalsContact C-N 3.29Å; V27-M29 HydrophobicContact CG1-CG 4.33Å; V27-M29 PolarHBondContact O-N 3.04Å; M29-P31 WeakPolarHBondContact O-CD 3.39Å; M29-L120 HydrophobicContact CE-CD1 3.7Å
30D56.3Low57.7Low85 Ų85114.8 Ų114.846%0.45562%0.618SS.*  trans-73.8118.2168.1-166.3-19.7000109.5V32 E33D30-V32 PolarHBondContact O-N 3.23Å; D30-V32 VanDerWaalsContact O-N 3.08Å; D30-V32 WeakPolarHBondContact OD1-CB 3.34Å; D30-V32 VanDerWaalsContact OD1-CG2 3.24Å; D30-V32 WeakPolarHBondContact OD1-CG2 3.42Å; D30-V32 PolarHBondContact OD1-N 2.9Å; D30-E33 PolarHBondContact O-N 3.41Å
31P58.1Low59.2Low110 Ų110111.2 Ų111.271%0.71460%0.597SS**THydrogen-bonded Turntrans-63.5-5.8175.724.8-32.8000114.5M29M29-P31 WeakPolarHBondContact O-CD 3.39Å
32V60.1Low60.5Low100 Ų100113.4 Ų113.461%0.60660%0.598SS**THydrogen-bonded Turntrans-79-21.2178.9-179.70000113.1D30D30-V32 PolarHBondContact O-N 3.23Å; D30-V32 VanDerWaalsContact O-N 3.08Å; D30-V32 WeakPolarHBondContact OD1-CB 3.34Å; D30-V32 VanDerWaalsContact OD1-CG2 3.24Å; D30-V32 WeakPolarHBondContact OD1-CG2 3.42Å; D30-V32 PolarHBondContact OD1-N 2.9Å
33E62.3Low61.1Low93 Ų93115.9 Ų115.944%0.43560%0.596SS.*SBendtrans-97.8-12.9-173.9-69.7177.7-178.200114.9D30 E123D30-E33 PolarHBondContact O-N 3.41Å; E33-E123 PolarHBondContact O-N 2.78Å
34Y62.2Low61.9Low64 Ų64116.6 Ų116.625%0.25159%0.592SS.*EExtended strand (participates in β ladder)trans-133128.2-173.3-72.1-96.3000113.4L120 E121 P122Y34-L120 HydrophobicContact CD1-CB 4.09Å; Y34-E121 WeakPolarHBondContact CA-O 3.29Å; Y34-P122 HydrophobicContact CE1-CB 4.33Å; Y34-P122 HydrophobicContact CE1-CG 3.97Å
35T71.3Confident62.5Low65 Ų65116.9 Ų116.940%0.39959%0.591SS.*EExtended strand (participates in β ladder)trans-86.3125170.7-71.90000111.3E121 E123T35-E121 PolarHBondContact N-O 2.82Å; T35-E121 PolarHBondContact O-N 3.34Å; T35-E121 VanDerWaalsContact O-N 3.15Å; T35-E123 PolarHBondContact OG1-OE1 3.42Å
36L71.6Confident63.8Low80 Ų80115.2 Ų115.242%0.41958%0.581SS.*EExtended strand (participates in β ladder)trans-81.2116.6177.7-176.574.3000112.7K38 D118 L120L36-K38 HydrophobicContact CD2-CG 4.25Å; L36-K38 HydrophobicContact CG-CG 4.37Å; L36-D118 HydrophobicContact CD1-CB 3.63Å; L36-D118 HydrophobicContact CG-CB 4.47Å; L36-L120 HydrophobicContact CB-CD2 4.22Å; L36-L120 HydrophobicContact CD1-CD2 3.57Å; L36-L120 HydrophobicContact CD1-CG 4.27Å
37R74.5Confident65.4Low138 Ų138119 Ų11952%0.52158%0.575SS.*EExtended strand (participates in β ladder)trans-106107.2171.2-70.9-168.6175.41790.9112R39 D119 E121R37-R39 PolarHBondContact O-N 3.32Å; R37-D119 HydrophobicContact CB-CB 4.29Å; R37-D119 PolarHBondContact N-O 3.02Å; R37-D119 PolarHBondContact O-N 2.9Å; R37-E121 WeakPolarHBondContact CD-OE1 3.36Å; R37-E121 VanDerWaalsContact CZ-CD 3.47Å; R37-E121 IonicContact CZ-OE1 2.68Å; R37-E121 IonicContact CZ-OE2 3.56Å; R37-E121 IonicContact NE-OE1 2.65Å; R37-E121 IonicContact NE-OE2 3.37Å; R37-E121 PolarHBondContact NE-OE2 2.95Å; R37-E121 VanDerWaalsContact NE-OE2 3.1Å; R37-E121 VanDerWaalsContact NH1-CD 3.31Å; R37-E121 IonicContact NH1-OE1 3Å; R37-E121 PolarHBondContact NH1-OE1 2.82Å; R37-E121 IonicContact NH1-OE2 3.29Å; R37-E121 PolarHBondContact NH1-OE2 3.27Å; R37-E121 IonicContact NH2-OE2 2.82Å; R37-E121 PolarHBondContact NH2-OE2 2.87Å
38K76.9Confident66.8Low134 Ų134124.2 Ų124.258%0.58358%0.582SS**EExtended strand (participates in β ladder)trans-76.7117.4-179.7-62176.9178.71790111.1L36 D118 R136L36-K38 HydrophobicContact CD2-CG 4.25Å; L36-K38 HydrophobicContact CG-CG 4.37Å; K38-D118 VanDerWaalsContact CA-OD1 3.29Å; K38-D118 WeakPolarHBondContact CA-OD1 3.34Å; K38-D118 WeakPolarHBondContact CB-OD1 3.28Å; K38-D118 WeakPolarHBondContact CG-OD1 3.4Å; K38-R136 VanDerWaalsContact CE-NH1 3.34Å
39R70.7Confident68.5Low124 Ų124115.8 Ų115.847%0.46854%0.543SS..PPolyproline II helixtrans-74153.8172.2-55.9179.7161.21635.2110.4R37 I117 D119R37-R39 PolarHBondContact O-N 3.32Å; R39-I117 WeakPolarHBondContact CB-O 3.46Å; R39-I117 WeakPolarHBondContact CG-O 3.29Å; R39-I117 PolarHBondContact N-O 3.01Å; R39-D119 IonicContact CZ-OD1 2.83Å; R39-D119 IonicContact CZ-OD2 2.78Å; R39-D119 IonicContact NE-OD1 2.79Å; R39-D119 PolarHBondContact NE-OD1 3.46Å; R39-D119 IonicContact NE-OD2 3.06Å; R39-D119 PolarHBondContact NE-OD2 2.76Å; R39-D119 IonicContact NH1-OD1 3.53Å; R39-D119 IonicContact NH2-OD1 2.79Å; R39-D119 PolarHBondContact NH2-OD1 2.88Å; R39-D119 IonicContact NH2-OD2 2.94Å; R39-D119 PolarHBondContact NH2-OD2 2.72Å
40L66.8Low70.2Confident138 Ų138112.2 Ų112.272%0.72353%0.526SS*.PPolyproline II helixtrans-64.2141.6167.7-93.770.2000109.2R42L40-R42 PolarHBondContact O-N 3.2Å
41P74.6Confident72Confident50 Ų50108.4 Ų108.433%0.32551%0.506SS..PPolyproline II helixtrans-51.2142.7170.4-16.922.6000110.6K43 L83 V114 L116P41-K43 PolarHBondContact O-N 3.4Å; P41-K43 VanDerWaalsContact O-N 3.14Å; P41-L83 HydrophobicContact CG-CD2 3.75Å; P41-V114 HydrophobicContact CB-CG1 4.34Å; P41-L116 HydrophobicContact CB-CD2 3.47Å; P41-L116 VanDerWaalsContact CB-CD2 3.47Å; P41-L116 HydrophobicContact CG-CD2 3.47Å; P41-L116 VanDerWaalsContact CG-CD2 3.47Å
42R66.8Low73.7Confident217 Ų217107.5 Ų107.582%0.81949%0.489SS*.PPolyproline II helixtrans-56.2122.3172.5-69.5-174.6174.7-150.2-0108.4L40 L44L40-R42 PolarHBondContact O-N 3.2Å; R42-L44 PolarHBondContact O-N 3Å
43K57.6Low75.3Confident155 Ų155103.4 Ų103.467%0.67446%0.464SS*.PPolyproline II helixtrans-71.3120.7-173-69.8176.3-176.9167.20109.2P41P41-K43 PolarHBondContact O-N 3.4Å; P41-K43 VanDerWaalsContact O-N 3.14Å
44L61.3Low76.8Confident109 Ų109102.4 Ų102.457%0.57146%0.461SS*.PPolyproline II helixtrans-62.9156.9160.4-65.2173.2000109.6R42 K46R42-L44 PolarHBondContact O-N 3Å; L44-K46 PolarHBondContact O-N 3.46Å
45P61.7Low78.3Confident117 Ų117103.9 Ų103.976%0.7647%0.472SS*.PPolyproline II helixtrans-55116.6174.8-20.330.4000109.8R47P45-R47 PolarHBondContact O-N 3.16Å
46K73Confident79.3Confident133 Ų133110.6 Ų110.658%0.57850%0.495SS*.  trans-78.7110.7-178.7-69.6-171175.5-173.10109.6L44 Y52L44-K46 PolarHBondContact O-N 3.46Å; K46-Y52 HydrophobicContact CD-CE2 4.37Å; K46-Y52 HydrophobicContact CG-CE2 4.13Å
47R83.1Confident80.3Confident173 Ų173109.5 Ų109.565%0.65349%0.492SS*.  trans-72.3156.3164.7-55.8179.5176.1-169.9-1108.7P45 N49 D50P45-R47 PolarHBondContact O-N 3.16Å; R47-N49 WeakPolarHBondContact CB-OD1 3.48Å; R47-N49 PolarHBondContact O-N 3.01Å; R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 PolarHBondContact N-OD2 2.9Å; R47-D50 PolarHBondContact O-N 3.24Å
48R84Confident81.4Confident227 Ų227107.3 Ų107.386%0.85749%0.491SS*.THydrogen-bonded Turntrans-64.1-22180-69.4-176.6176.6-179.9-0.8112.6
49N90.3Very high82.3Confident19 Ų19103.2 Ų103.210%0.10247%0.473CS..THydrogen-bonded Turntrans-98.47.1-18066.6-37.9000114.5R47 H75 E77 I78 C79R47-N49 WeakPolarHBondContact CB-OD1 3.48Å; R47-N49 PolarHBondContact O-N 3.01Å; N49-H75 HydrophobicContact CB-CB 4.3Å; N49-E77 WeakPolarHBondContact CB-O 3.47Å; N49-E77 PolarHBondContact ND2-O 3.05Å; N49-I78 HydrophobicContact CB-CG2 4.41Å; N49-I78 WeakPolarHBondContact O-CA 3.28Å; N49-C79 PolarHBondContact O-N 3.42Å
50D92.1Very high83.5Confident26 Ų26106.8 Ų106.814%0.13949%0.487CS..EExtended strand (participates in β ladder)trans-86.5128.8176.1-64.4-26.1000111.5R47 Y52 H81R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 PolarHBondContact N-OD2 2.9Å; R47-D50 PolarHBondContact O-N 3.24Å; D50-Y52 HydrophobicContact CB-CE2 4.13Å; D50-H81 IonicContact OD1-NE2 2.79Å; D50-H81 PolarHBondContact OD1-NE2 2.83Å
51V92.8Very high84.9Confident4 Ų4102.7 Ų102.72%0.02447%0.472CS..EExtended strand (participates in β ladder)trans-118.3113.6178.7-176.80000110L69 C79 H81V51-L69 HydrophobicContact CG2-CD1 3.5Å; V51-L69 VanDerWaalsContact CG2-CD1 3.5Å; V51-C79 PolarHBondContact N-O 3.43Å; V51-H81 PolarHBondContact O-N 3.27Å
52Y93.9Very high85.9Confident92 Ų92100.9 Ų100.936%0.36146%0.46SS..EExtended strand (participates in β ladder)trans-92.5119.5174.3-65.8-89.1000110.7K46 D50 H81K46-Y52 HydrophobicContact CD-CE2 4.37Å; K46-Y52 HydrophobicContact CG-CE2 4.13Å; D50-Y52 HydrophobicContact CB-CE2 4.13Å; Y52-H81 HydrophobicContact CD1-CB 3.78Å; Y52-H81 HydrophobicContact CE1-CB 3.94Å; Y52-H81 HydrophobicContact CG-CB 4.48Å
53V94.7Very high87.4Confident13 Ų1392.2 Ų92.28%0.07943%0.429CS..  trans-86.6132.3-179.2178.60000109.5V80 H81 A86 R89 A90 I93V53-V80 HydrophobicContact CG2-CG1 3.49Å; V53-V80 VanDerWaalsContact CG2-CG1 3.49Å; V53-H81 PolarHBondContact N-O 2.72Å; V53-A86 HydrophobicContact CG1-CB 4.48Å; V53-A86 WeakPolarHBondContact O-CB 3.48Å; V53-R89 HydrophobicContact CG1-CB 3.97Å; V53-R89 HydrophobicContact CG1-CG 3.66Å; V53-A90 HydrophobicContact CB-CB 4.34Å; V53-A90 HydrophobicContact CG2-CB 4.08Å; V53-I93 HydrophobicContact CG1-CD1 4.11Å; V53-I93 HydrophobicContact CG2-CD1 3.85Å
54N92.2Very high89.2Confident72 Ų7287.7 Ų87.739%0.38542%0.421SS..  trans-121.3164169.873.833.9000110.5K56 T57 Q62 R89N54-K56 PolarHBondContact OD1-N 3.46Å; N54-T57 VanDerWaalsContact CG-OG1 3.25Å; N54-T57 PolarHBondContact ND2-OG1 2.82Å; N54-T57 VanDerWaalsContact ND2-OG1 3.1Å; N54-T57 VanDerWaalsContact OD1-CB 3.29Å; N54-T57 WeakPolarHBondContact OD1-CB 3.46Å; N54-T57 PolarHBondContact OD1-N 3.4Å; N54-T57 PolarHBondContact OD1-OG1 2.91Å; N54-Q62 PolarHBondContact O-NE2 2.89Å; N54-Q62 PolarHBondContact OD1-NE2 2.65Å; N54-R89 PolarHBondContact O-NE 3.44Å; N54-R89 PolarHBondContact O-NH1 3.46Å
55M93.8Very high90.7Very high95 Ų9589.3 Ų89.347%0.46842%0.419SS..SBendtrans-84-19.4178.7-77.4-64.8165.700114.7L85 A86 R89M55-L85 WeakPolarHBondContact CE-O 3.36Å; M55-A86 HydrophobicContact CE-CB 4.49Å; M55-R89 HydrophobicContact CE-CB 3.4Å; M55-R89 HydrophobicContact CE-CG 4.29Å; M55-R89 PolarHBondContact O-NH1 3.02Å; M55-R89 HydrophobicContact SD-CB 4.33Å
56K92.9Very high92.3Very high206 Ų20683.8 Ų83.890%0.89638%0.383SS*.SBendtrans-80.6-32.2-173.2-65.1-175.7178.7-174.10113.8N54N54-K56 PolarHBondContact OD1-N 3.46Å
57T93.4Very high93.3Very high57 Ų5779.5 Ų79.535%0.3537%0.365SS..SBendtrans-70.4156.3179.1-45.50000109N54 A61 Q62 R89N54-T57 VanDerWaalsContact CG-OG1 3.25Å; N54-T57 PolarHBondContact ND2-OG1 2.82Å; N54-T57 VanDerWaalsContact ND2-OG1 3.1Å; N54-T57 VanDerWaalsContact OD1-CB 3.29Å; N54-T57 WeakPolarHBondContact OD1-CB 3.46Å; N54-T57 PolarHBondContact OD1-N 3.4Å; N54-T57 PolarHBondContact OD1-OG1 2.91Å; T57-A61 HydrophobicContact CG2-CB 4.45Å; T57-Q62 HydrophobicContact CG2-CG 3.9Å; T57-R89 PolarHBondContact O-NH1 3.12Å; T57-R89 PolarHBondContact O-NH2 3.17Å
58D96.4Very high93.7Very high93 Ų9379 Ų7950%0.49737%0.368SS..  trans-62.9145169.1173.360.5000111.8R60 A61 Q62 R89D58-R60 WeakPolarHBondContact OD2-CA 3.43Å; D58-R60 VanDerWaalsContact OD2-CB 3.31Å; D58-R60 WeakPolarHBondContact OD2-CB 3.47Å; D58-R60 PolarHBondContact OD2-N 3.16Å; D58-A61 HydrophobicContact CB-CB 4.03Å; D58-A61 PolarHBondContact OD2-N 3.19Å; D58-Q62 PolarHBondContact O-N 3.1Å; D58-R89 PolarHBondContact O-NH2 2.63Å
59F96.4Very high94.1Very high47 Ų4770.2 Ų70.221%0.20634%0.338CS..Hα-helixtrans-66.6-48-178177.7-92000111.9A61 Q62 L63 R89 N92 I93F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.28Å; F59-Q62 PolarHBondContact O-N 3.1Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 PolarHBondContact O-N 2.84Å; F59-R89 VanDerWaalsContact CA-NH2 3.26Å; F59-R89 HydrophobicContact CD2-CG 4.08Å; F59-R89 HydrophobicContact CE2-CG 4.33Å; F59-N92 HydrophobicContact CE2-CB 4.13Å; F59-N92 HydrophobicContact CZ-CB 4.39Å; F59-I93 HydrophobicContact CD2-CG1 4.42Å; F59-I93 HydrophobicContact CE2-CG1 3.67Å; F59-I93 HydrophobicContact CZ-CG1 4.07Å
60R96.4Very high94.1Very high200 Ų20069.7 Ų69.776%0.75534%0.335SS*.Hα-helixtrans-65.3-37.8-177.9-61.7-179.9175-138-0.6110.8D58 Q62 L63 A64D58-R60 WeakPolarHBondContact OD2-CA 3.43Å; D58-R60 VanDerWaalsContact OD2-CB 3.31Å; D58-R60 WeakPolarHBondContact OD2-CB 3.47Å; D58-R60 PolarHBondContact OD2-N 3.16Å; R60-Q62 PolarHBondContact O-N 3.01Å; R60-L63 PolarHBondContact O-N 2.98Å; R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.98Å
61A96.1Very high93.9Very high51 Ų5173.2 Ų73.242%0.42135%0.354SS..Hα-helixtrans-60.3-42.117500000112.7T57 D58 F59 R65T57-A61 HydrophobicContact CG2-CB 4.45Å; D58-A61 HydrophobicContact CB-CB 4.03Å; D58-A61 PolarHBondContact OD2-N 3.19Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.28Å; A61-R65 WeakPolarHBondContact O-CB 3.29Å; A61-R65 PolarHBondContact O-N 3.24Å
62Q95.9Very high93Very high13 Ų1376 Ų766%0.06138%0.383CS..Hα-helixtrans-68.2-42176-78.6179.8-11.300112.3N54 T57 D58 F59 R60 R65 C66 I93N54-Q62 PolarHBondContact O-NE2 2.89Å; N54-Q62 PolarHBondContact OD1-NE2 2.65Å; T57-Q62 HydrophobicContact CG2-CG 3.9Å; D58-Q62 PolarHBondContact O-N 3.1Å; F59-Q62 PolarHBondContact O-N 3.1Å; R60-Q62 PolarHBondContact O-N 3.01Å; Q62-R65 WeakPolarHBondContact O-CB 3.35Å; Q62-R65 PolarHBondContact O-N 3.34Å; Q62-C66 PolarHBondContact O-N 2.99Å; Q62-C66 PolarHBondContact O-SG 3.46Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å; Q62-I93 HydrophobicContact CB-CD1 3.94Å
63L97Very high91.6Very high35 Ų3575.1 Ų75.118%0.18340%0.402CS..Hα-helixtrans-60.1-49175.8179.964.4000111.4F59 R60 R65 C66 Q67 I93 Q96 L97F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 PolarHBondContact O-N 2.84Å; R60-L63 PolarHBondContact O-N 2.98Å; L63-R65 VanDerWaalsContact C-N 3.25Å; L63-R65 PolarHBondContact O-N 3.09Å; L63-C66 WeakPolarHBondContact O-CB 3.3Å; L63-C66 PolarHBondContact O-N 3.39Å; L63-C66 VanDerWaalsContact O-N 3.1Å; L63-Q67 PolarHBondContact O-N 3.36Å; L63-I93 HydrophobicContact CD1-CG2 4.24Å; L63-Q96 HydrophobicContact CD1-CB 4Å; L63-Q96 HydrophobicContact CD2-CB 4.19Å; L63-Q96 VanDerWaalsContact CD2-OE1 3.28Å; L63-L97 HydrophobicContact CD1-CD2 3.73Å; L63-L97 HydrophobicContact CD1-CG 3.81Å
64A95.1Very high90.4Very high60 Ų6077 Ų7750%0.49642%0.424SS..Hα-helixtrans-60.1-36.4177.800000112.1R60 Q67 K68R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.98Å; A64-Q67 PolarHBondContact O-N 3.05Å; A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.05Å
65R93.4Very high90Very high143 Ų14376.3 Ų76.354%0.5442%0.418SS..Hα-helixtrans-64.1-44.8173.7-176.5178.8-173.8-109.2-3.9111.9A61 Q62 L63 K68 L69A61-R65 WeakPolarHBondContact O-CB 3.29Å; A61-R65 PolarHBondContact O-N 3.24Å; Q62-R65 WeakPolarHBondContact O-CB 3.35Å; Q62-R65 PolarHBondContact O-N 3.34Å; L63-R65 VanDerWaalsContact C-N 3.25Å; L63-R65 PolarHBondContact O-N 3.09Å; R65-K68 PolarHBondContact O-N 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.23Å; R65-L69 PolarHBondContact O-N 2.97Å
66C94.8Very high89.9Confident0 Ų078.3 Ų78.30%042%0.421CS..Hα-helixtrans-62.2-45.2176-65.80000111.4Q62 L63 K68 L69 L70 I78 I93 L97Q62-C66 PolarHBondContact O-N 2.99Å; Q62-C66 PolarHBondContact O-SG 3.46Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å; L63-C66 WeakPolarHBondContact O-CB 3.3Å; L63-C66 PolarHBondContact O-N 3.39Å; L63-C66 VanDerWaalsContact O-N 3.1Å; C66-K68 PolarHBondContact O-N 3.43Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 3.44Å; C66-L69 VanDerWaalsContact O-N 3.16Å; C66-L70 PolarHBondContact O-N 3.38Å; C66-I78 HydrophobicContact CB-CD1 3.79Å; C66-I93 HydrophobicContact CB-CG2 4.26Å; C66-L97 HydrophobicContact CB-CD1 3.73Å; C66-L97 HydrophobicContact CB-CD2 4.17Å; C66-L97 HydrophobicContact CB-CG 4.5Å
67Q93.9Very high89.9Confident43 Ų4371.8 Ų71.820%0.20139%0.393CS..Hα-helixtrans-60.3-46.2178.4-17060.451.900111.3L63 A64 L69 L70 D71 L97L63-Q67 PolarHBondContact O-N 3.36Å; A64-Q67 PolarHBondContact O-N 3.05Å; Q67-L69 PolarHBondContact O-N 3.5Å; Q67-L70 PolarHBondContact O-N 3.16Å; Q67-D71 VanDerWaalsContact CG-OD2 3.28Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.43Å; Q67-D71 PolarHBondContact NE2-OD1 2.86Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 PolarHBondContact O-N 3.39Å; Q67-L97 HydrophobicContact CB-CD2 4.1Å
68K92.6Very high90Very high164 Ų16469.1 Ų69.171%0.71338%0.377SS*.Hα-helixtrans-59.7-33.1176.5-176.1175.3179.6176.60113.3A64 R65 C66 L70 G72A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.05Å; R65-K68 PolarHBondContact O-N 3.29Å; C66-K68 PolarHBondContact O-N 3.43Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-G72 WeakPolarHBondContact O-CA 3.37Å; K68-G72 PolarHBondContact O-N 3.29Å
69L92.1Very high89.9Confident42 Ų4265.8 Ų65.822%0.2236%0.36CS..Hα-helixtrans-69.7-31.6176.8-74.3168.8000112.4V51 R65 C66 Q67 I78V51-L69 HydrophobicContact CG2-CD1 3.5Å; V51-L69 VanDerWaalsContact CG2-CD1 3.5Å; R65-L69 WeakPolarHBondContact O-CG 3.23Å; R65-L69 PolarHBondContact O-N 2.97Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 3.44Å; C66-L69 VanDerWaalsContact O-N 3.16Å; Q67-L69 PolarHBondContact O-N 3.5Å; L69-I78 HydrophobicContact CB-CG2 3.86Å
70L91.3Very high89.9Confident8 Ų863.5 Ų63.54%0.04235%0.351CS..Hα-helixtrans-78.6-47.2175.2-69.5164.6000111.3C66 Q67 K68 I78 L97 L105 V145 Y147C66-L70 PolarHBondContact O-N 3.38Å; Q67-L70 PolarHBondContact O-N 3.16Å; K68-L70 VanDerWaalsContact C-N 3.32Å; L70-I78 HydrophobicContact CD1-CD1 3.99Å; L70-I78 HydrophobicContact CD1-CG1 4.35Å; L70-I78 HydrophobicContact CD2-CG1 4.16Å; L70-I78 HydrophobicContact CD2-CG2 4.06Å; L70-I78 HydrophobicContact CG-CD1 4.1Å; L70-I78 HydrophobicContact CG-CG1 4.25Å; L70-I78 HydrophobicContact CG-CG2 4.19Å; L70-L97 HydrophobicContact CD1-CD1 4.35Å; L70-L97 HydrophobicContact CD1-CD2 4.34Å; L70-L105 HydrophobicContact CD1-CD1 3.89Å; L70-L105 HydrophobicContact CD1-CD2 4.49Å; L70-L105 HydrophobicContact CD2-CD2 4.37Å; L70-V145 HydrophobicContact CD1-CG1 4.22Å; L70-Y147 HydrophobicContact CD2-CE2 4.26Å
71D86.4Confident89.9Confident100 Ų10055 Ų5554%0.53532%0.319SS..Hα-helixtrans-77.8-27.4-174.9-64.4-16.5000113.5Q67 G73Q67-D71 VanDerWaalsContact CG-OD2 3.28Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.43Å; Q67-D71 PolarHBondContact NE2-OD1 2.86Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 PolarHBondContact O-N 3.39Å; D71-G73 PolarHBondContact O-N 2.94Å
72G74.6Confident89.9Confident61 Ų6152.8 Ų52.863%0.62930%0.301SS*.THydrogen-bonded Turntrans-68.811-174.900000115.2K68 G74K68-G72 WeakPolarHBondContact O-CA 3.37Å; K68-G72 PolarHBondContact O-N 3.29Å; G72-G74 PolarHBondContact O-N 2.97Å; G72-G74 VanDerWaalsContact O-N 3.09Å
73G63.2Low89.8Confident75 Ų7554.6 Ų54.677%0.77331%0.311SS*.SBendtrans70.10.1177.100000115.4D71D71-G73 PolarHBondContact O-N 2.94Å
74G69.9Low89.7Confident51 Ų5154.1 Ų54.153%0.52631%0.314SS..SBendtrans-85.1-28.2-174.300000114.6G72G72-G74 PolarHBondContact O-N 2.97Å; G72-G74 VanDerWaalsContact O-N 3.09Å
75H84.8Confident89.7Confident58 Ų5858.7 Ų58.727%0.26933%0.33SS..  trans-147.2127.4-171.9-59.8-57.9000112.2N49 E77N49-H75 HydrophobicContact CB-CB 4.3Å; H75-E77 WeakPolarHBondContact CB-O 3.37Å; H75-E77 PolarHBondContact O-N 3.2Å
76R90.4Very high89.8Confident138 Ų13852.3 Ų52.352%0.52131%0.307SS..SBendtrans-76.7-9.2169.6-68.6-172.168.3-163.1-8113.2F146 Y147 D149R76-F146 WeakPolarHBondContact O-CA 3.17Å; R76-Y147 PolarHBondContact O-N 3.21Å; R76-Y147 VanDerWaalsContact O-N 3.09Å; R76-D149 IonicContact CZ-OD1 3.28Å; R76-D149 VanDerWaalsContact CZ-OD1 3.28Å; R76-D149 IonicContact NH1-OD1 2.86Å; R76-D149 PolarHBondContact NH1-OD1 2.78Å; R76-D149 IonicContact NH2-OD1 2.85Å; R76-D149 PolarHBondContact NH2-OD1 2.98Å
77E93.1Very high90Very high68 Ų6853.9 Ų53.932%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-149.3144.6-17961.9178.7-125.200112N49 H75 K144 V145 F146N49-E77 WeakPolarHBondContact CB-O 3.47Å; N49-E77 PolarHBondContact ND2-O 3.05Å; H75-E77 WeakPolarHBondContact CB-O 3.37Å; H75-E77 PolarHBondContact O-N 3.2Å; E77-K144 WeakPolarHBondContact OE1-CE 3.21Å; E77-K144 IonicContact OE1-NZ 3.59Å; E77-K144 WeakPolarHBondContact OE2-CE 3.36Å; E77-K144 IonicContact OE2-NZ 3.39Å; E77-K144 PolarHBondContact OE2-NZ 2.93Å; E77-V145 CarbonylContact C-O 3.58Å; E77-V145 WeakPolarHBondContact CA-O 3.4Å; E77-F146 HydrophobicContact CB-CB 3.6Å
78I95.4Very high90.1Very high1 Ų157.8 Ų57.81%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-126153.8169.564.4171.3000110.2N49 C66 L69 L70 V80 L97 K144 V145N49-I78 HydrophobicContact CB-CG2 4.41Å; N49-I78 WeakPolarHBondContact O-CA 3.28Å; C66-I78 HydrophobicContact CB-CD1 3.79Å; L69-I78 HydrophobicContact CB-CG2 3.86Å; L70-I78 HydrophobicContact CD1-CD1 3.99Å; L70-I78 HydrophobicContact CD1-CG1 4.35Å; L70-I78 HydrophobicContact CD2-CG1 4.16Å; L70-I78 HydrophobicContact CD2-CG2 4.06Å; L70-I78 HydrophobicContact CG-CD1 4.1Å; L70-I78 HydrophobicContact CG-CG1 4.25Å; L70-I78 HydrophobicContact CG-CG2 4.19Å; I78-V80 HydrophobicContact CD1-CG2 4.16Å; I78-V80 HydrophobicContact CG1-CG2 4.46Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å; I78-K144 WeakPolarHBondContact O-CA 3.42Å; I78-V145 HydrophobicContact CG1-CB 3.85Å; I78-V145 HydrophobicContact CG1-CG2 4.29Å; I78-V145 PolarHBondContact N-O 3.07Å; I78-V145 PolarHBondContact O-N 2.86Å
79C95.4Very high90.4Very high23 Ų2351.2 Ų51.216%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-112.7116.4173.1-161.40000110N49 V51 H81 I143N49-C79 PolarHBondContact O-N 3.42Å; V51-C79 PolarHBondContact N-O 3.43Å; C79-H81 PolarHBondContact O-CD2 3.22Å; C79-H81 PolarHBondContact SG-CE1 3.29Å; C79-I143 WeakPolarHBondContact CA-O 3.38Å
80V96.3Very high90.7Very high0 Ų049.2 Ų49.20%030%0.298CS..EExtended strand (participates in β ladder)trans-95.6116.5178.2-173.90000108.7V53 I78 A90 I143 V145V53-V80 HydrophobicContact CG2-CG1 3.49Å; V53-V80 VanDerWaalsContact CG2-CG1 3.49Å; I78-V80 HydrophobicContact CD1-CG2 4.16Å; I78-V80 HydrophobicContact CG1-CG2 4.46Å; V80-A90 HydrophobicContact CG1-CB 3.9Å; V80-I143 HydrophobicContact CB-CB 4.48Å; V80-I143 PolarHBondContact N-O 2.79Å; V80-I143 PolarHBondContact O-N 2.86Å; V80-V145 HydrophobicContact CG2-CG2 4.15Å
81H96.2Very high91Very high22 Ų2251.7 Ų51.710%0.10231%0.31CS..EExtended strand (participates in β ladder)trans-105126.9-179-53.1-85.8000110.9D50 V51 Y52 V53 C79 I141 H142D50-H81 IonicContact OD1-NE2 2.79Å; D50-H81 PolarHBondContact OD1-NE2 2.83Å; V51-H81 PolarHBondContact O-N 3.27Å; Y52-H81 HydrophobicContact CD1-CB 3.78Å; Y52-H81 HydrophobicContact CE1-CB 3.94Å; Y52-H81 HydrophobicContact CG-CB 4.48Å; V53-H81 PolarHBondContact N-O 2.72Å; C79-H81 PolarHBondContact O-CD2 3.22Å; C79-H81 PolarHBondContact SG-CE1 3.29Å; H81-I141 WeakPolarHBondContact CA-O 3.48Å; H81-H142 AromaticContact CE1-ND1 3.9Å; H81-H142 AromaticContact CG-ND1 3.82Å; H81-H142 AromaticContact ND1-CE1 3.63Å; H81-H142 AromaticContact ND1-CG 3.5Å; H81-H142 AromaticContact ND1-ND1 2.91Å; H81-H142 PolarHBondContact ND1-ND1 3.25Å
82G95.6Very high91.6Very high3 Ų350.2 Ų50.23%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-119.4134.8170.700000110.6A140 I141G82-A140 CarbonylContact O-C 3.58Å; G82-A140 VanDerWaalsContact O-CA 3.24Å; G82-A140 WeakPolarHBondContact O-CA 3.49Å; G82-I141 PolarHBondContact N-O 2.84Å; G82-I141 PolarHBondContact O-N 2.93Å
83L94.6Very high92.7Very high52 Ų5247.3 Ų47.327%0.27227%0.272SS..EExtended strand (participates in β ladder)trans-117.2127.5177.2-179.169.4000110P41 L85 A86 V114 L116 N138 A140P41-L83 HydrophobicContact CG-CD2 3.75Å; L83-L85 PolarHBondContact O-N 2.79Å; L83-A86 WeakPolarHBondContact O-CB 3.09Å; L83-A86 PolarHBondContact O-N 2.82Å; L83-V114 HydrophobicContact CD1-CB 3.78Å; L83-V114 HydrophobicContact CD1-CG1 4.3Å; L83-V114 HydrophobicContact CD1-CG2 3.97Å; L83-L116 HydrophobicContact CD2-CD1 4.28Å; L83-L116 HydrophobicContact CD2-CD2 4.26Å; L83-N138 HydrophobicContact CD1-CB 3.69Å; L83-N138 HydrophobicContact CG-CB 4.23Å; L83-A140 HydrophobicContact CD1-CB 3.97Å
84G94.9Very high94.3Very high24 Ų2443.8 Ų43.825%0.24724%0.236CC..G310 helixtrans50.5-118.5178.400000112.2A86 I87 S139G84-A86 PolarHBondContact O-N 2.89Å; G84-I87 WeakPolarHBondContact O-CB 3.47Å; G84-I87 WeakPolarHBondContact O-CD1 3.45Å; G84-I87 WeakPolarHBondContact O-CG1 3.41Å; G84-I87 PolarHBondContact O-N 2.85Å; G84-S139 PolarHBondContact N-O 2.95Å
85L94.4Very high95.7Very high157 Ų15745.6 Ų45.682%0.82223%0.233SC*.G310 helixtrans-51.2-32.7178.3-64.3175.5000113.1M55 L83 I87M55-L85 WeakPolarHBondContact CE-O 3.36Å; L83-L85 PolarHBondContact O-N 2.79Å; L85-I87 PolarHBondContact O-N 3.3Å
86A96.3Very high96.3Very high8 Ų846.1 Ų46.17%0.06624%0.236CC..G310 helixtrans-73-7.8-177.600000115.3V53 M55 L83 G84 R89 A90V53-A86 HydrophobicContact CG1-CB 4.48Å; V53-A86 WeakPolarHBondContact O-CB 3.48Å; M55-A86 HydrophobicContact CE-CB 4.49Å; L83-A86 WeakPolarHBondContact O-CB 3.09Å; L83-A86 PolarHBondContact O-N 2.82Å; G84-A86 PolarHBondContact O-N 2.89Å; A86-R89 PolarHBondContact O-N 2.86Å; A86-A90 PolarHBondContact O-N 3.04Å
87I97.7Very high96.5Very high33 Ų3339.6 Ų39.617%0.16921%0.211CC..Hα-helixtrans-58.4-52.6-177.3-72.2168.9000111.7G84 L85 R89 A90 I91 I141G84-I87 WeakPolarHBondContact O-CB 3.47Å; G84-I87 WeakPolarHBondContact O-CD1 3.45Å; G84-I87 WeakPolarHBondContact O-CG1 3.41Å; G84-I87 PolarHBondContact O-N 2.85Å; L85-I87 PolarHBondContact O-N 3.3Å; I87-R89 PolarHBondContact O-N 3.01Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.06Å; I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 2.91Å; I87-I141 HydrophobicContact CB-CG2 4.24Å; I87-I141 HydrophobicContact CG1-CB 4.38Å; I87-I141 HydrophobicContact CG1-CG2 4Å; I87-I141 HydrophobicContact CG2-CB 4.33Å; I87-I141 HydrophobicContact CG2-CG2 3.98Å
88N97.8Very high96.7Very high125 Ų12539.6 Ų39.667%0.66821%0.211SC*.Hα-helixtrans-59.2-35.3-177.8-69.7-15.4000112.2N92N88-N92 WeakPolarHBondContact O-CB 3.42Å; N88-N92 PolarHBondContact O-N 3.18Å
89R97.8Very high96.7Very high27 Ų2743.2 Ų43.210%0.10224%0.241CC..Hα-helixtrans-72.6-39178-174.1172.9172158.6-1.7112.3V53 N54 M55 T57 D58 F59 A86 I87 I91 N92 I93V53-R89 HydrophobicContact CG1-CB 3.97Å; V53-R89 HydrophobicContact CG1-CG 3.66Å; N54-R89 PolarHBondContact O-NE 3.44Å; N54-R89 PolarHBondContact O-NH1 3.46Å; M55-R89 HydrophobicContact CE-CB 3.4Å; M55-R89 HydrophobicContact CE-CG 4.29Å; M55-R89 PolarHBondContact O-NH1 3.02Å; M55-R89 HydrophobicContact SD-CB 4.33Å; T57-R89 PolarHBondContact O-NH1 3.12Å; T57-R89 PolarHBondContact O-NH2 3.17Å; D58-R89 PolarHBondContact O-NH2 2.63Å; F59-R89 VanDerWaalsContact CA-NH2 3.26Å; F59-R89 HydrophobicContact CD2-CG 4.08Å; F59-R89 HydrophobicContact CE2-CG 4.33Å; A86-R89 PolarHBondContact O-N 2.86Å; I87-R89 PolarHBondContact O-N 3.01Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-N92 PolarHBondContact O-N 2.98Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.32Å; R89-I93 PolarHBondContact O-N 2.83Å
90A98Very high96.6Very high0 Ų045.7 Ų45.70%026%0.259CS..Hα-helixtrans-61.2-43.317300000111.5V53 V80 A86 I87 I93 A94 I141V53-A90 HydrophobicContact CB-CB 4.34Å; V53-A90 HydrophobicContact CG2-CB 4.08Å; V80-A90 HydrophobicContact CG1-CB 3.9Å; A86-A90 PolarHBondContact O-N 3.04Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.06Å; A90-I93 PolarHBondContact O-N 3.39Å; A90-A94 PolarHBondContact O-N 2.85Å; A90-I141 HydrophobicContact CB-CG2 4.14Å
91I98.3Very high96.4Very high59 Ų5946.7 Ų46.730%0.30327%0.266SS..Hα-helixtrans-60-49.1174.8-65.4167.1000110.5I87 R89 I93 A94 L95 I141 I143I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 2.91Å; R89-I91 VanDerWaalsContact C-N 3.33Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.3Å; I91-A94 PolarHBondContact O-N 2.68Å; I91-A94 VanDerWaalsContact O-N 3.16Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.36Å; I91-L95 PolarHBondContact O-N 3.26Å; I91-I141 HydrophobicContact CD1-CD1 4.02Å; I91-I141 HydrophobicContact CG1-CD1 3.84Å; I91-I143 HydrophobicContact CB-CD1 4.4Å; I91-I143 HydrophobicContact CG1-CD1 3.93Å
92N98.3Very high96.1Very high69 Ų6954.7 Ų54.737%0.36930%0.303SS..Hα-helixtrans-60.2-42.2-179.9-170.28.9000112.2F59 N88 R89 A94 L95 Q96F59-N92 HydrophobicContact CE2-CB 4.13Å; F59-N92 HydrophobicContact CZ-CB 4.39Å; N88-N92 WeakPolarHBondContact O-CB 3.42Å; N88-N92 PolarHBondContact O-N 3.18Å; R89-N92 PolarHBondContact O-N 2.98Å; N92-A94 PolarHBondContact O-N 3.17Å; N92-L95 PolarHBondContact O-N 3.22Å; N92-Q96 WeakPolarHBondContact O-CB 2.84Å; N92-Q96 WeakPolarHBondContact O-CG 3.16Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 2.85Å
93I98Very high95.6Very high0 Ų057.4 Ų57.40%033%0.332CS..Hα-helixtrans-58.7-49.7174.4-71.5167.5000110.6V53 F59 Q62 L63 C66 R89 A90 I91 L95 Q96 L97V53-I93 HydrophobicContact CG1-CD1 4.11Å; V53-I93 HydrophobicContact CG2-CD1 3.85Å; F59-I93 HydrophobicContact CD2-CG1 4.42Å; F59-I93 HydrophobicContact CE2-CG1 3.67Å; F59-I93 HydrophobicContact CZ-CG1 4.07Å; Q62-I93 HydrophobicContact CB-CD1 3.94Å; L63-I93 HydrophobicContact CD1-CG2 4.24Å; C66-I93 HydrophobicContact CB-CG2 4.26Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.32Å; R89-I93 PolarHBondContact O-N 2.83Å; A90-I93 PolarHBondContact O-N 3.39Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.3Å; I93-L95 PolarHBondContact O-N 2.91Å; I93-Q96 PolarHBondContact O-N 3.4Å; I93-L97 HydrophobicContact CG2-CD1 3.97Å; I93-L97 HydrophobicContact CG2-CG 4.46Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 2.8Å
94A97.9Very high95.4Very high1 Ų157.1 Ų57.11%0.00834%0.336CS..Hα-helixtrans-61-43.1-178.600000112.6A90 I91 N92 L97 Q98 L107 I143 V145A90-A94 PolarHBondContact O-N 2.85Å; I91-A94 PolarHBondContact O-N 2.68Å; I91-A94 VanDerWaalsContact O-N 3.16Å; N92-A94 PolarHBondContact O-N 3.17Å; A94-L97 PolarHBondContact O-N 2.77Å; A94-Q98 PolarHBondContact O-N 3.03Å; A94-L107 HydrophobicContact CB-CD1 4.31Å; A94-L107 HydrophobicContact CB-CD2 4.12Å; A94-I143 HydrophobicContact CB-CB 4.31Å; A94-I143 HydrophobicContact CB-CD1 3.85Å; A94-I143 HydrophobicContact CB-CG2 3.71Å; A94-V145 HydrophobicContact CB-CG2 4.23Å
95L97.9Very high95.4Very high89 Ų8956 Ų5647%0.46633%0.325SS..Hα-helixtrans-65.4-40.5177.4-68.2175.2000112.1I91 N92 I93 Q98 A99 L107I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.36Å; I91-L95 PolarHBondContact O-N 3.26Å; N92-L95 PolarHBondContact O-N 3.22Å; I93-L95 PolarHBondContact O-N 2.91Å; L95-Q98 PolarHBondContact O-N 3.06Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; L95-L107 HydrophobicContact CD2-CD1 4.09Å
96Q97.4Very high95.5Very high70 Ų7053 Ų5333%0.32731%0.307SS..Hα-helixtrans-66.6-38.4176.9-74.2-172.240.500112.4L63 N92 I93 A99 S100L63-Q96 HydrophobicContact CD1-CB 4Å; L63-Q96 HydrophobicContact CD2-CB 4.19Å; L63-Q96 VanDerWaalsContact CD2-OE1 3.28Å; N92-Q96 WeakPolarHBondContact O-CB 2.84Å; N92-Q96 WeakPolarHBondContact O-CG 3.16Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 2.85Å; I93-Q96 PolarHBondContact O-N 3.4Å; Q96-A99 PolarHBondContact O-N 3.02Å; Q96-S100 VanDerWaalsContact O-CB 3.29Å; Q96-S100 WeakPolarHBondContact O-CB 3.43Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 2.87Å
97L96.1Very high95.6Very high0 Ų055.1 Ų55.10%032%0.317CS..Hα-helixtrans-60.7-49.8173.6-68.2168.6000110.8L63 C66 Q67 L70 I78 I93 A94 A99 S100 S101 L105 V145L63-L97 HydrophobicContact CD1-CD2 3.73Å; L63-L97 HydrophobicContact CD1-CG 3.81Å; C66-L97 HydrophobicContact CB-CD1 3.73Å; C66-L97 HydrophobicContact CB-CD2 4.17Å; C66-L97 HydrophobicContact CB-CG 4.5Å; Q67-L97 HydrophobicContact CB-CD2 4.1Å; L70-L97 HydrophobicContact CD1-CD1 4.35Å; L70-L97 HydrophobicContact CD1-CD2 4.34Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å; I93-L97 HydrophobicContact CG2-CD1 3.97Å; I93-L97 HydrophobicContact CG2-CG 4.46Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 2.8Å; A94-L97 PolarHBondContact O-N 2.77Å; L97-A99 PolarHBondContact O-N 3.18Å; L97-S100 PolarHBondContact O-N 3.14Å; L97-S100 PolarHBondContact O-OG 2.79Å; L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 2.84Å; L97-L105 HydrophobicContact CB-CD1 4.24Å; L97-V145 HydrophobicContact CB-CG1 4.44Å; L97-V145 HydrophobicContact CD1-CG1 4.38Å; L97-V145 HydrophobicContact CD1-CG2 4.44Å
98Q95.8Very high95.6Very high68 Ų6855.4 Ų55.432%0.31832%0.324SS..Hα-helixtrans-58.3-48.4177.8-179.1175.553.400111.7A94 L95 S100 S101 L105 L107A94-Q98 PolarHBondContact O-N 3.03Å; L95-Q98 PolarHBondContact O-N 3.06Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-S100 PolarHBondContact O-N 3.26Å; Q98-S101 PolarHBondContact O-N 2.85Å; Q98-S101 PolarHBondContact O-OG 3.1Å; Q98-L105 PolarHBondContact NE2-O 2.94Å; Q98-L107 HydrophobicContact CB-CD1 4.07Å; Q98-L107 HydrophobicContact CB-CD2 4.42Å; Q98-L107 HydrophobicContact CB-CG 4.25Å
99A95.5Very high95.6Very high77 Ų7752.8 Ų52.864%0.63632%0.319SS*.Hα-helixtrans-60.8-42.5178.500000112.2L95 Q96 L97 S101 Q102L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; Q96-A99 PolarHBondContact O-N 3.02Å; L97-A99 PolarHBondContact O-N 3.18Å; A99-S101 VanDerWaalsContact C-N 3.29Å; A99-S101 PolarHBondContact O-N 2.98Å; A99-Q102 PolarHBondContact O-N 3Å
100S94Very high95.5Very high75 Ų7556.5 Ų56.552%0.52434%0.341SS..Hα-helixtrans-68.6-27.1179.270.90000113.6Q96 L97 Q98 Q102Q96-S100 VanDerWaalsContact O-CB 3.29Å; Q96-S100 WeakPolarHBondContact O-CB 3.43Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 2.87Å; L97-S100 PolarHBondContact O-N 3.14Å; L97-S100 PolarHBondContact O-OG 2.79Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-S100 PolarHBondContact O-N 3.26Å; S100-Q102 PolarHBondContact O-N 3.29Å
101S91.3Very high95.5Very high22 Ų2262.3 Ų62.315%0.15438%0.377CS..THydrogen-bonded Turntrans-79.11.3179.674.70000114.8L97 Q98 A99 G103 A104 L105L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 2.84Å; Q98-S101 PolarHBondContact O-N 2.85Å; Q98-S101 PolarHBondContact O-OG 3.1Å; A99-S101 VanDerWaalsContact C-N 3.29Å; A99-S101 PolarHBondContact O-N 2.98Å; S101-G103 PolarHBondContact O-N 2.81Å; S101-G103 VanDerWaalsContact O-N 3.17Å; S101-A104 VanDerWaalsContact O-CB 3.28Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 2.65Å; S101-A104 PolarHBondContact OG-N 2.78Å; S101-L105 WeakPolarHBondContact OG-CB 3.46Å; S101-L105 PolarHBondContact OG-N 2.79Å; S101-L105 VanDerWaalsContact OG-N 3.12Å
102Q89.7Confident95.3Very high189 Ų18961.5 Ų61.588%0.88338%0.376SS*.THydrogen-bonded Turntrans52.737.4-178.6-58-179.7-40.100113.2A99 S100A99-Q102 PolarHBondContact O-N 3Å; S100-Q102 PolarHBondContact O-N 3.29Å
103G85.4Confident95.1Very high61 Ų6163.1 Ų63.163%0.62939%0.389SS*.THydrogen-bonded Turntrans88.10.5-18000000115.6S101 L105S101-G103 PolarHBondContact O-N 2.81Å; S101-G103 VanDerWaalsContact O-N 3.17Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 3.15Å
104A91.4Very high94.8Very high45 Ų4564.8 Ų64.837%0.37240%0.399SS..  trans-71.4-24.3178.400000113.7S101 Y147 P148S101-A104 VanDerWaalsContact O-CB 3.28Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 2.65Å; S101-A104 PolarHBondContact OG-N 2.78Å; A104-Y147 HydrophobicContact CB-CD1 4.24Å; A104-Y147 HydrophobicContact CB-CE1 3.99Å; A104-Y147 WeakPolarHBondContact O-CD1 3.42Å; A104-P148 VanDerWaalsContact O-CD 3.23Å; A104-P148 WeakPolarHBondContact O-CD 3.41Å
105L95Very high94.4Very high1 Ų170.4 Ų70.41%0.00543%0.425CS..  trans-100.6141.2178.1-66.2169.5000112.5L70 L97 Q98 S101 G103 V145 F146 Y147L70-L105 HydrophobicContact CD1-CD1 3.89Å; L70-L105 HydrophobicContact CD1-CD2 4.49Å; L70-L105 HydrophobicContact CD2-CD2 4.37Å; L97-L105 HydrophobicContact CB-CD1 4.24Å; Q98-L105 PolarHBondContact NE2-O 2.94Å; S101-L105 WeakPolarHBondContact OG-CB 3.46Å; S101-L105 PolarHBondContact OG-N 2.79Å; S101-L105 VanDerWaalsContact OG-N 3.12Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 3.15Å; L105-V145 HydrophobicContact CB-CG1 4.27Å; L105-V145 HydrophobicContact CD1-CG1 3.89Å; L105-V145 HydrophobicContact CD2-CG1 4.23Å; L105-V145 HydrophobicContact CG-CG1 4.37Å; L105-F146 WeakPolarHBondContact CA-O 3.49Å; L105-Y147 HydrophobicContact CD2-CD1 3.84Å; L105-Y147 HydrophobicContact CD2-CD2 3.84Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.71Å; L105-Y147 HydrophobicContact CD2-CG 3.9Å; L105-Y147 HydrophobicContact CG-CE1 4.17Å
106Q96.5Very high93.9Very high95 Ų9566.4 Ų66.444%0.44440%0.404SS..EExtended strand (participates in β ladder)trans-109.4156.1168.2-67.5-173.411.400111.2V145 F146 P148Q106-V145 WeakPolarHBondContact O-CA 3.42Å; Q106-F146 HydrophobicContact CB-CD1 4.46Å; Q106-F146 HydrophobicContact CB-CE1 3.91Å; Q106-F146 HydrophobicContact CB-CE2 3.98Å; Q106-F146 HydrophobicContact CB-CZ 3.63Å; Q106-F146 PolarHBondContact N-O 2.99Å; Q106-F146 WeakPolarHBondContact O-CD1 3.12Å; Q106-F146 PolarHBondContact O-N 3.17Å; Q106-P148 HydrophobicContact CG-CB 4.31Å; Q106-P148 HydrophobicContact CG-CG 4.04Å
107L97.4Very high93.4Very high52 Ų5265 Ų6527%0.27240%0.399SS..EExtended strand (participates in β ladder)trans-120.4133.8-178-56.2-178.6000109.8A94 L95 Q98 I143 K144 V145A94-L107 HydrophobicContact CB-CD1 4.31Å; A94-L107 HydrophobicContact CB-CD2 4.12Å; L95-L107 HydrophobicContact CD2-CD1 4.09Å; Q98-L107 HydrophobicContact CB-CD1 4.07Å; Q98-L107 HydrophobicContact CB-CD2 4.42Å; Q98-L107 HydrophobicContact CB-CG 4.25Å; L107-I143 HydrophobicContact CB-CG2 4.45Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; L107-K144 CarbonylContact C-O 3.53Å; L107-K144 WeakPolarHBondContact CA-O 3.24Å; L107-V145 HydrophobicContact CD2-CB 4.12Å; L107-V145 HydrophobicContact CD2-CG1 3.9Å; L107-V145 HydrophobicContact CD2-CG2 3.71Å
108A97.8Very high92.9Very high39 Ų3965.2 Ų65.232%0.32240%0.4SS..EExtended strand (participates in β ladder)trans-130.5123.616800000109.5I143 K144 F146A108-I143 CarbonylContact O-C 3.54Å; A108-I143 WeakPolarHBondContact O-CA 3.35Å; A108-K144 HydrophobicContact CB-CB 4.29Å; A108-K144 PolarHBondContact N-O 2.82Å; A108-K144 PolarHBondContact O-N 2.92Å; A108-F146 HydrophobicContact CB-CE1 4.13Å
109A97.3Very high92.3Very high69 Ų6963.4 Ų63.457%0.5739%0.392SS*.EExtended strand (participates in β ladder)trans-110.3135.7-175.400000111.6I141 H142 I143A109-I141 HydrophobicContact CB-CD1 4.47Å; A109-H142 CarbonylContact C-O 3.55Å; A109-H142 WeakPolarHBondContact CA-O 3.47Å; A109-I143 HydrophobicContact CB-CG1 4.38Å
110N97.4Very high91.6Very high106 Ų10660.3 Ų60.357%0.56737%0.365SS*.EExtended strand (participates in β ladder)trans-124.6148.4171.4-66.283.2000109.2I141 H142N110-I141 CarbonylContact O-C 3.57Å; N110-I141 WeakPolarHBondContact O-CA 3.46Å; N110-H142 PolarHBondContact N-O 2.8Å; N110-H142 PolarHBondContact O-N 2.78Å
111T97Very high90.8Very high122 Ų12259.9 Ų59.975%0.74836%0.355SS*.EExtended strand (participates in β ladder)trans-111.8153.7174.757.50000110.5A140T111-A140 VanDerWaalsContact CA-O 3.32Å; T111-A140 WeakPolarHBondContact CA-O 3.14Å
112S94.8Very high90Very high41 Ų4160.3 Ų60.329%0.28736%0.357SS..EExtended strand (participates in β ladder)trans-150.3167173.666.60000110.6A140 H142S112-A140 PolarHBondContact N-O 2.89Å; S112-A140 PolarHBondContact O-N 2.75Å; S112-H142 PolarHBondContact OG-NE2 2.81Å
113T93.8Very high89.1Confident103 Ų10356.8 Ų56.863%0.63234%0.341SS*.EExtended strand (participates in β ladder)trans-107.8127.9170.8-58.80000108.4N137T113-N137 HydrophobicContact CG2-CB 3.83Å
114V91.3Very high88.6Confident36 Ų3657.5 Ų57.522%0.21833%0.33CS..EExtended strand (participates in β ladder)trans-111.9119.3178.6-179.60000109P41 L83 L116 N138 A140P41-V114 HydrophobicContact CB-CG1 4.34Å; L83-V114 HydrophobicContact CD1-CB 3.78Å; L83-V114 HydrophobicContact CD1-CG1 4.3Å; L83-V114 HydrophobicContact CD1-CG2 3.97Å; V114-L116 HydrophobicContact CG1-CD2 3.86Å; V114-N138 PolarHBondContact N-O 2.81Å; V114-N138 PolarHBondContact O-N 2.8Å; V114-A140 HydrophobicContact CG2-CB 3.76Å
115E90.6Very high87.2Confident119 Ų11961 Ų6156%0.55635%0.349SS*.EExtended strand (participates in β ladder)trans-75.5129.7172.5-168.2-176.3168.800110.1T135E115-T135 HydrophobicContact CG-CG2 3.35Å; E115-T135 WeakPolarHBondContact OE1-CG2 3.19Å
116L86.8Confident85.8Confident5 Ų568.3 Ų68.33%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-122.4139.8179.9-54.1177.5000109.1P41 L83 V114 T135 R136 N138P41-L116 HydrophobicContact CB-CD2 3.47Å; P41-L116 VanDerWaalsContact CB-CD2 3.47Å; P41-L116 HydrophobicContact CG-CD2 3.47Å; P41-L116 VanDerWaalsContact CG-CD2 3.47Å; L83-L116 HydrophobicContact CD2-CD1 4.28Å; L83-L116 HydrophobicContact CD2-CD2 4.26Å; V114-L116 HydrophobicContact CG1-CD2 3.86Å; L116-T135 CarbonylContact O-C 3.6Å; L116-T135 WeakPolarHBondContact O-CA 3.33Å; L116-R136 HydrophobicContact CB-CG 3.74Å; L116-R136 HydrophobicContact CD1-CG 4.32Å; L116-R136 HydrophobicContact CG-CG 4.47Å; L116-R136 PolarHBondContact N-O 3.39Å; L116-R136 PolarHBondContact O-N 3.34Å; L116-N138 HydrophobicContact CD1-CB 4.01Å; L116-N138 WeakPolarHBondContact CD1-ND2 3.49Å
117I86.9Confident84.3Confident41 Ų4168.7 Ų68.721%0.2139%0.39CS..EExtended strand (participates in β ladder)trans-109.8123.5176.9-57.1170.3000106.9R39 T133R39-I117 WeakPolarHBondContact CB-O 3.46Å; R39-I117 WeakPolarHBondContact CG-O 3.29Å; R39-I117 PolarHBondContact N-O 3.01Å; I117-T133 HydrophobicContact CG2-CG2 4.47Å
118D85.6Confident82.4Confident4 Ų471.2 Ų71.22%0.02142%0.418CS..EExtended strand (participates in β ladder)trans-107.4142.6170.1-61.1-31.3000108.5L36 K38 T133 R134 R136L36-D118 HydrophobicContact CD1-CB 3.63Å; L36-D118 HydrophobicContact CG-CB 4.47Å; K38-D118 VanDerWaalsContact CA-OD1 3.29Å; K38-D118 WeakPolarHBondContact CA-OD1 3.34Å; K38-D118 WeakPolarHBondContact CB-OD1 3.28Å; K38-D118 WeakPolarHBondContact CG-OD1 3.4Å; D118-T133 WeakPolarHBondContact O-CA 3.37Å; D118-R134 PolarHBondContact N-O 2.81Å; D118-R134 PolarHBondContact O-N 3.09Å; D118-R136 IonicContact OD1-CZ 3.25Å; D118-R136 VanDerWaalsContact OD1-CZ 3.25Å; D118-R136 IonicContact OD1-NE 3.79Å; D118-R136 IonicContact OD1-NH1 3.7Å; D118-R136 IonicContact OD1-NH2 3.1Å; D118-R136 PolarHBondContact OD1-NH2 3.27Å; D118-R136 WeakPolarHBondContact OD2-CD 3.47Å; D118-R136 IonicContact OD2-CZ 2.9Å; D118-R136 IonicContact OD2-NE 3.34Å; D118-R136 PolarHBondContact OD2-NE 3.48Å; D118-R136 IonicContact OD2-NH1 2.72Å; D118-R136 PolarHBondContact OD2-NH1 3.29Å; D118-R136 IonicContact OD2-NH2 3.18Å; D118-R136 PolarHBondContact OD2-NH2 2.79Å
119D84.1Confident80.8Confident30 Ų3070.5 Ų70.516%0.1641%0.414CS..EExtended strand (participates in β ladder)trans-95.7145.5172.7-62.1-27.8000109.7R37 R39R37-D119 HydrophobicContact CB-CB 4.29Å; R37-D119 PolarHBondContact N-O 3.02Å; R37-D119 PolarHBondContact O-N 2.9Å; R39-D119 IonicContact CZ-OD1 2.83Å; R39-D119 IonicContact CZ-OD2 2.78Å; R39-D119 IonicContact NE-OD1 2.79Å; R39-D119 PolarHBondContact NE-OD1 3.46Å; R39-D119 IonicContact NE-OD2 3.06Å; R39-D119 PolarHBondContact NE-OD2 2.76Å; R39-D119 IonicContact NH1-OD1 3.53Å; R39-D119 IonicContact NH2-OD1 2.79Å; R39-D119 PolarHBondContact NH2-OD1 2.88Å; R39-D119 IonicContact NH2-OD2 2.94Å; R39-D119 PolarHBondContact NH2-OD2 2.72Å
120L78.8Confident79.5Confident12 Ų1275 Ų756%0.06342%0.423CS..EExtended strand (participates in β ladder)trans-117.8118.6173.5-66.1162.6000107.1M29 Y34 L36 M132 R134M29-L120 HydrophobicContact CE-CD1 3.7Å; Y34-L120 HydrophobicContact CD1-CB 4.09Å; L36-L120 HydrophobicContact CB-CD2 4.22Å; L36-L120 HydrophobicContact CD1-CD2 3.57Å; L36-L120 HydrophobicContact CD1-CG 4.27Å; L120-M132 HydrophobicContact CB-CB 4.16Å; L120-M132 HydrophobicContact CD1-CB 4.18Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; L120-M132 PolarHBondContact N-O 3.17Å; L120-M132 PolarHBondContact O-N 2.88Å; L120-M132 VanDerWaalsContact O-N 3.09Å; L120-R134 HydrophobicContact CD1-CB 4.3Å
121E77.4Confident78.4Confident65 Ų6575 Ų7530%0.30443%0.429SS..EExtended strand (participates in β ladder)trans-107.2136.1174.6-67.9176.9-171.400108.3Y34 T35 R37Y34-E121 WeakPolarHBondContact CA-O 3.29Å; T35-E121 PolarHBondContact N-O 2.82Å; T35-E121 PolarHBondContact O-N 3.34Å; T35-E121 VanDerWaalsContact O-N 3.15Å; R37-E121 WeakPolarHBondContact CD-OE1 3.36Å; R37-E121 VanDerWaalsContact CZ-CD 3.47Å; R37-E121 IonicContact CZ-OE1 2.68Å; R37-E121 IonicContact CZ-OE2 3.56Å; R37-E121 IonicContact NE-OE1 2.65Å; R37-E121 IonicContact NE-OE2 3.37Å; R37-E121 PolarHBondContact NE-OE2 2.95Å; R37-E121 VanDerWaalsContact NE-OE2 3.1Å; R37-E121 VanDerWaalsContact NH1-CD 3.31Å; R37-E121 IonicContact NH1-OE1 3Å; R37-E121 PolarHBondContact NH1-OE1 2.82Å; R37-E121 IonicContact NH1-OE2 3.29Å; R37-E121 PolarHBondContact NH1-OE2 3.27Å; R37-E121 IonicContact NH2-OE2 2.82Å; R37-E121 PolarHBondContact NH2-OE2 2.87Å
122P75.4Confident77.6Confident32 Ų3274.3 Ų74.321%0.20842%0.419CS..EExtended strand (participates in β ladder)trans-58.6145.1171.6-15.926.5000110.8Y34 G129Y34-P122 HydrophobicContact CE1-CB 4.33Å; Y34-P122 HydrophobicContact CE1-CG 3.97Å; P122-G129 WeakPolarHBondContact CG-O 3.32Å
123E70.2Confident77.1Confident115 Ų11576.3 Ų76.354%0.53743%0.43SS..SBendtrans-72.9-35.4177.3-68.7-160.8166.400113E33 T35E33-E123 PolarHBondContact O-N 2.78Å; T35-E123 PolarHBondContact OG1-OE1 3.42Å
124D74.3Confident76.7Confident75 Ų7578.7 Ų78.740%0.40143%0.427SS..  trans-103115.5175.6-166.3-24.7000110.5D126 E127D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 WeakPolarHBondContact OD1-CB 3.33Å; D124-D126 PolarHBondContact OD1-N 3Å; D124-E127 HydrophobicContact CB-CB 3.91Å; D124-E127 PolarHBondContact O-N 2.84Å
125P62.6Low76.5Confident120 Ų12080.5 Ų80.578%0.77944%0.438SS*.THydrogen-bonded Turntrans-67.1-15.3177.728.1-34.3000113.9
126D65.9Low76.5Confident154 Ų15478 Ų7882%0.82442%0.424SS*.THydrogen-bonded Turntrans-90.6-9.6176.2-64.5-36.7000112.3D124D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 WeakPolarHBondContact OD1-CB 3.33Å; D124-D126 PolarHBondContact OD1-N 3Å
127E64.1Low76.8Confident103 Ų10383 Ų8348%0.48145%0.451SS..SBendtrans-86.5131.4171.8-159.9165.2-134.900109.4D124 G129D124-E127 HydrophobicContact CB-CB 3.91Å; D124-E127 PolarHBondContact O-N 2.84Å; E127-G129 PolarHBondContact O-N 2.95Å
128A58.6Low77.1Confident105 Ų10583.5 Ų83.587%0.86845%0.454SS*.  trans-72.733.6-167.800000115
129G63.8Low77.6Confident23 Ų2387 Ų8724%0.23748%0.478CS..PPolyproline II helixtrans-74.4124.117600000111.5P122 E127P122-G129 WeakPolarHBondContact CG-O 3.32Å; E127-G129 PolarHBondContact O-N 2.95Å
130E70.9Confident78.2Confident163 Ų16385.8 Ų85.876%0.76247%0.472SS*.PPolyproline II helixtrans-77.5141.3170.5-67-173.917000110.5M132E130-M132 PolarHBondContact O-N 3.27Å
131P73.9Confident79.1Confident107 Ų10786.1 Ų86.170%0.69547%0.474SS*.PPolyproline II helixtrans-56.9127.4173.9-22.431.7000111.3
132M79.8Confident80Confident108 Ų10885 Ų8553%0.53247%0.468SS..EExtended strand (participates in β ladder)trans-110.7146.1-177.3-174.464.169.900111L120 E130L120-M132 HydrophobicContact CB-CB 4.16Å; L120-M132 HydrophobicContact CD1-CB 4.18Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; L120-M132 PolarHBondContact N-O 3.17Å; L120-M132 PolarHBondContact O-N 2.88Å; L120-M132 VanDerWaalsContact O-N 3.09Å; E130-M132 PolarHBondContact O-N 3.27Å
133T84.5Confident81Confident83 Ų8383.9 Ų83.951%0.50946%0.461SS..EExtended strand (participates in β ladder)trans-109.4129.5172.7590000110.8I117 D118I117-T133 HydrophobicContact CG2-CG2 4.47Å; D118-T133 WeakPolarHBondContact O-CA 3.37Å
134R85.6Confident82.3Confident153 Ų15381.8 Ų81.858%0.57745%0.45SS*.EExtended strand (participates in β ladder)trans-112.4126.4175.2-174.9177.8-176.2169.84.7110.8D118 L120D118-R134 PolarHBondContact N-O 2.81Å; D118-R134 PolarHBondContact O-N 3.09Å; L120-R134 HydrophobicContact CD1-CB 4.3Å
135T87.8Confident83.4Confident73 Ų7378.2 Ų78.245%0.44843%0.431SS..EExtended strand (participates in β ladder)trans-88.8137.9170.8-65.90000111.1E115 L116E115-T135 HydrophobicContact CG-CG2 3.35Å; E115-T135 WeakPolarHBondContact OE1-CG2 3.19Å; L116-T135 CarbonylContact O-C 3.6Å; L116-T135 WeakPolarHBondContact O-CA 3.33Å
136R89.8Confident84.9Confident68 Ų6874.3 Ų74.326%0.25740%0.402SS..EExtended strand (participates in β ladder)trans-134.8153.1169.368.8177.1-179.3-146.3-15.6111.4K38 L116 D118K38-R136 VanDerWaalsContact CE-NH1 3.34Å; L116-R136 HydrophobicContact CB-CG 3.74Å; L116-R136 HydrophobicContact CD1-CG 4.32Å; L116-R136 HydrophobicContact CG-CG 4.47Å; L116-R136 PolarHBondContact N-O 3.39Å; L116-R136 PolarHBondContact O-N 3.34Å; D118-R136 IonicContact OD1-CZ 3.25Å; D118-R136 VanDerWaalsContact OD1-CZ 3.25Å; D118-R136 IonicContact OD1-NE 3.79Å; D118-R136 IonicContact OD1-NH1 3.7Å; D118-R136 IonicContact OD1-NH2 3.1Å; D118-R136 PolarHBondContact OD1-NH2 3.27Å; D118-R136 WeakPolarHBondContact OD2-CD 3.47Å; D118-R136 IonicContact OD2-CZ 2.9Å; D118-R136 IonicContact OD2-NE 3.34Å; D118-R136 PolarHBondContact OD2-NE 3.48Å; D118-R136 IonicContact OD2-NH1 2.72Å; D118-R136 PolarHBondContact OD2-NH1 3.29Å; D118-R136 IonicContact OD2-NH2 3.18Å; D118-R136 PolarHBondContact OD2-NH2 2.79Å
137N91.9Very high86.2Confident110 Ų11070.4 Ų70.459%0.58838%0.376SS*.EExtended strand (participates in β ladder)trans-107.8128.1176.9-67.9-32.2000110.3T113T113-N137 HydrophobicContact CG2-CB 3.83Å
138N93.9Very high87.5Confident51 Ų5167.7 Ų67.727%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-116139.6171.3-872.5000110.3L83 V114 L116L83-N138 HydrophobicContact CD1-CB 3.69Å; L83-N138 HydrophobicContact CG-CB 4.23Å; V114-N138 PolarHBondContact N-O 2.81Å; V114-N138 PolarHBondContact O-N 2.8Å; L116-N138 HydrophobicContact CD1-CB 4.01Å; L116-N138 WeakPolarHBondContact CD1-ND2 3.49Å
139S96.4Very high88.7Confident78 Ų7868.2 Ų68.255%0.54536%0.355SS..EExtended strand (participates in β ladder)trans-66.7145.1167.2-50.90000110.4G84G84-S139 PolarHBondContact N-O 2.95Å
140A96.3Very high89.1Confident4 Ų472.8 Ų72.83%0.03338%0.381CS..EExtended strand (participates in β ladder)trans-130.8151172.200000110.8G82 L83 T111 S112 V114G82-A140 CarbonylContact O-C 3.58Å; G82-A140 VanDerWaalsContact O-CA 3.24Å; G82-A140 WeakPolarHBondContact O-CA 3.49Å; L83-A140 HydrophobicContact CD1-CB 3.97Å; T111-A140 VanDerWaalsContact CA-O 3.32Å; T111-A140 WeakPolarHBondContact CA-O 3.14Å; S112-A140 PolarHBondContact N-O 2.89Å; S112-A140 PolarHBondContact O-N 2.75Å; V114-A140 HydrophobicContact CG2-CB 3.76Å
141I97.3Very high88.4Confident19 Ų1977.8 Ų77.810%0.09740%0.404CS..EExtended strand (participates in β ladder)trans-118.1144.2170.6-162.5170.2000109.3H81 G82 I87 A90 I91 A109 N110 I143H81-I141 WeakPolarHBondContact CA-O 3.48Å; G82-I141 PolarHBondContact N-O 2.84Å; G82-I141 PolarHBondContact O-N 2.93Å; I87-I141 HydrophobicContact CB-CG2 4.24Å; I87-I141 HydrophobicContact CG1-CB 4.38Å; I87-I141 HydrophobicContact CG1-CG2 4Å; I87-I141 HydrophobicContact CG2-CB 4.33Å; I87-I141 HydrophobicContact CG2-CG2 3.98Å; A90-I141 HydrophobicContact CB-CG2 4.14Å; I91-I141 HydrophobicContact CD1-CD1 4.02Å; I91-I141 HydrophobicContact CG1-CD1 3.84Å; A109-I141 HydrophobicContact CB-CD1 4.47Å; N110-I141 CarbonylContact O-C 3.57Å; N110-I141 WeakPolarHBondContact O-CA 3.46Å; I141-I143 HydrophobicContact CD1-CD1 4.06Å; I141-I143 HydrophobicContact CD1-CG1 3.98Å; I141-I143 HydrophobicContact CG1-CD1 4.46Å; I141-I143 HydrophobicContact CG1-CG1 3.93Å
142H96.6Very high89.1Confident40 Ų4076.4 Ų76.419%0.18539%0.39CS..EExtended strand (participates in β ladder)trans-129.4111.1176-51.4-36.4000107.3H81 A109 N110 S112H81-H142 AromaticContact CE1-ND1 3.9Å; H81-H142 AromaticContact CG-ND1 3.82Å; H81-H142 AromaticContact ND1-CE1 3.63Å; H81-H142 AromaticContact ND1-CG 3.5Å; H81-H142 AromaticContact ND1-ND1 2.91Å; H81-H142 PolarHBondContact ND1-ND1 3.25Å; A109-H142 CarbonylContact C-O 3.55Å; A109-H142 WeakPolarHBondContact CA-O 3.47Å; N110-H142 PolarHBondContact N-O 2.8Å; N110-H142 PolarHBondContact O-N 2.78Å; S112-H142 PolarHBondContact OG-NE2 2.81Å
143I97.9Very high89.6Confident9 Ų974.7 Ų74.75%0.04638%0.382CS..EExtended strand (participates in β ladder)trans-109.9109.5-177-50.3172.9000108.1C79 V80 I91 A94 L107 A108 A109 I141 V145C79-I143 WeakPolarHBondContact CA-O 3.38Å; V80-I143 HydrophobicContact CB-CB 4.48Å; V80-I143 PolarHBondContact N-O 2.79Å; V80-I143 PolarHBondContact O-N 2.86Å; I91-I143 HydrophobicContact CB-CD1 4.4Å; I91-I143 HydrophobicContact CG1-CD1 3.93Å; A94-I143 HydrophobicContact CB-CB 4.31Å; A94-I143 HydrophobicContact CB-CD1 3.85Å; A94-I143 HydrophobicContact CB-CG2 3.71Å; L107-I143 HydrophobicContact CB-CG2 4.45Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; A108-I143 CarbonylContact O-C 3.54Å; A108-I143 WeakPolarHBondContact O-CA 3.35Å; A109-I143 HydrophobicContact CB-CG1 4.38Å; I141-I143 HydrophobicContact CD1-CD1 4.06Å; I141-I143 HydrophobicContact CD1-CG1 3.98Å; I141-I143 HydrophobicContact CG1-CD1 4.46Å; I141-I143 HydrophobicContact CG1-CG1 3.93Å; I143-V145 HydrophobicContact CG2-CG2 4.34Å
144K97Very high89.9Confident71 Ų7174.2 Ų74.231%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-75.5121.1169-170.7-176.3178.6172.90108.6E77 I78 L107 A108 F146E77-K144 WeakPolarHBondContact OE1-CE 3.21Å; E77-K144 IonicContact OE1-NZ 3.59Å; E77-K144 WeakPolarHBondContact OE2-CE 3.36Å; E77-K144 IonicContact OE2-NZ 3.39Å; E77-K144 PolarHBondContact OE2-NZ 2.93Å; I78-K144 WeakPolarHBondContact O-CA 3.42Å; L107-K144 CarbonylContact C-O 3.53Å; L107-K144 WeakPolarHBondContact CA-O 3.24Å; A108-K144 HydrophobicContact CB-CB 4.29Å; A108-K144 PolarHBondContact N-O 2.82Å; A108-K144 PolarHBondContact O-N 2.92Å; K144-F146 HydrophobicContact CB-CD1 4.47Å; K144-F146 HydrophobicContact CD-CD1 3.99Å; K144-F146 HydrophobicContact CD-CE1 4.45Å; K144-F146 HydrophobicContact CG-CD1 3.85Å
145V96.6Very high90.1Very high0 Ų069.6 Ų69.60%036%0.364CS..EExtended strand (participates in β ladder)trans-111.8118.6174.3-173.30000107L70 E77 I78 V80 A94 L97 L105 Q106 L107 I143L70-V145 HydrophobicContact CD1-CG1 4.22Å; E77-V145 CarbonylContact C-O 3.58Å; E77-V145 WeakPolarHBondContact CA-O 3.4Å; I78-V145 HydrophobicContact CG1-CB 3.85Å; I78-V145 HydrophobicContact CG1-CG2 4.29Å; I78-V145 PolarHBondContact N-O 3.07Å; I78-V145 PolarHBondContact O-N 2.86Å; V80-V145 HydrophobicContact CG2-CG2 4.15Å; A94-V145 HydrophobicContact CB-CG2 4.23Å; L97-V145 HydrophobicContact CB-CG1 4.44Å; L97-V145 HydrophobicContact CD1-CG1 4.38Å; L97-V145 HydrophobicContact CD1-CG2 4.44Å; L105-V145 HydrophobicContact CB-CG1 4.27Å; L105-V145 HydrophobicContact CD1-CG1 3.89Å; L105-V145 HydrophobicContact CD2-CG1 4.23Å; L105-V145 HydrophobicContact CG-CG1 4.37Å; Q106-V145 WeakPolarHBondContact O-CA 3.42Å; L107-V145 HydrophobicContact CD2-CB 4.12Å; L107-V145 HydrophobicContact CD2-CG1 3.9Å; L107-V145 HydrophobicContact CD2-CG2 3.71Å; I143-V145 HydrophobicContact CG2-CG2 4.34Å
146F95.4Very high90.3Very high39 Ų3969.4 Ų69.417%0.17136%0.358CS..EExtended strand (participates in β ladder)trans-148.9152.7-169.965.3-80.1000113R76 E77 L105 Q106 A108 K144 P148R76-F146 WeakPolarHBondContact O-CA 3.17Å; E77-F146 HydrophobicContact CB-CB 3.6Å; L105-F146 WeakPolarHBondContact CA-O 3.49Å; Q106-F146 HydrophobicContact CB-CD1 4.46Å; Q106-F146 HydrophobicContact CB-CE1 3.91Å; Q106-F146 HydrophobicContact CB-CE2 3.98Å; Q106-F146 HydrophobicContact CB-CZ 3.63Å; Q106-F146 PolarHBondContact N-O 2.99Å; Q106-F146 WeakPolarHBondContact O-CD1 3.12Å; Q106-F146 PolarHBondContact O-N 3.17Å; A108-F146 HydrophobicContact CB-CE1 4.13Å; K144-F146 HydrophobicContact CB-CD1 4.47Å; K144-F146 HydrophobicContact CD-CD1 3.99Å; K144-F146 HydrophobicContact CD-CE1 4.45Å; K144-F146 HydrophobicContact CG-CD1 3.85Å; F146-P148 HydrophobicContact CE2-CB 4.44Å
147Y93.3Very high90.3Very high71 Ų7169.5 Ų69.528%0.27837%0.365SS..PPolyproline II helixtrans-79.5119.7165.9-66.2-81.5000108.8L70 R76 A104 L105L70-Y147 HydrophobicContact CD2-CE2 4.26Å; R76-Y147 PolarHBondContact O-N 3.21Å; R76-Y147 VanDerWaalsContact O-N 3.09Å; A104-Y147 HydrophobicContact CB-CD1 4.24Å; A104-Y147 HydrophobicContact CB-CE1 3.99Å; A104-Y147 WeakPolarHBondContact O-CD1 3.42Å; L105-Y147 HydrophobicContact CD2-CD1 3.84Å; L105-Y147 HydrophobicContact CD2-CD2 3.84Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.71Å; L105-Y147 HydrophobicContact CD2-CG 3.9Å; L105-Y147 HydrophobicContact CG-CE1 4.17Å
148P90.3Very high90.2Very high46 Ų4666.6 Ų66.630%0.29935%0.349SS..PPolyproline II helixtrans-62152.7175.229.5-34.2000110.1A104 Q106 F146A104-P148 VanDerWaalsContact O-CD 3.23Å; A104-P148 WeakPolarHBondContact O-CD 3.41Å; Q106-P148 HydrophobicContact CG-CB 4.31Å; Q106-P148 HydrophobicContact CG-CG 4.04Å; F146-P148 HydrophobicContact CE2-CB 4.44Å
149D83.1Confident89.9Confident116 Ų11667.8 Ų67.862%0.6236%0.355SS*.PPolyproline II helixtrans-70142.7170.9-70.8-42.7000110R76 Q151R76-D149 IonicContact CZ-OD1 3.28Å; R76-D149 VanDerWaalsContact CZ-OD1 3.28Å; R76-D149 IonicContact NH1-OD1 2.86Å; R76-D149 PolarHBondContact NH1-OD1 2.78Å; R76-D149 IonicContact NH2-OD1 2.85Å; R76-D149 PolarHBondContact NH2-OD1 2.98Å; D149-Q151 PolarHBondContact O-N 3.34Å
150P72.3Confident89.3Confident119 Ų11966.9 Ų66.977%0.77334%0.339SS*.PPolyproline II helixtrans-60.1127.6174.823.5-30.2000109.1
151Q56.3Low88.7Confident269 Ų26972.6 Ų72.6100%1.25737%0.367SS*.  trans-71.40171.2-82-175.1-34.600111.5D149D149-Q151 PolarHBondContact O-N 3.34Å

Retrieved 151 of 151 residues in 25.8 ms (Link to these results)