A0A087Y7F6_POEFO Loading...

Zygote arrest 1-like

mRNA-binding protein required for maternal mRNA storage, translation and degradation during oocyte maturation. Probably promotes formation of some phase-separated membraneless compartment that stores maternal mRNAs in oocytes: acts by undergoing liquid-liquid phase separation upon binding to maternal mRNAs. Binds to the 3'-UTR of maternal mRNAs, inhibiting their translation.

AlphaFold DB , UniProt , Accession A0A087Y7F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 297 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
1M34.3Very low36.4Very low238 Ų238151.1 Ų151.1100%1.17283%0.83SS**  01450-97.676.6172.700108.8
2E35.1Very low36Very low198 Ų198148 Ų14893%0.92583%0.827SS**  trans-85.2162.3-166.2-56.8127.513300114
3G33.2Very low35.5Very low64 Ų64142.2 Ų142.266%0.6682%0.821SS**  trans165.9119.5162.900000116.9
4F33.9Very low35.6Very low193 Ų193149.3 Ų149.385%0.84683%0.83SS**  trans87.899.9151.5-64.2-83.4000122.2
5L38.5Very low35.2Very low152 Ų152144.7 Ų144.780%0.79683%0.831SS**  54.9128.2127.4-59.2178.9000121.5
6S33Very low35.3Very low109 Ų109141.9 Ų141.976%0.76283%0.83SS**  trans-148.3134.2139-166.10000111.2
7T44.1Very low36.1Very low116 Ų116140.7 Ų140.771%0.71283%0.828SS**  trans-121.8118.3177.2-66.30000108
8F32.4Very low36.3Very low198 Ų198139.5 Ų139.587%0.86883%0.825SS**  trans-152.8129.8157-75.9-64.5000112.7
9L40.1Very low36.1Very low161 Ų161137.6 Ų137.684%0.84383%0.826SS**  trans-84.5167.3155-114.478.3000108
10P47.3Very low36.5Very low116 Ų116140.9 Ų140.975%0.75383%0.832SS**  -161.8173.954.445.4-23.1000120.8
11C28.8Very low36.3Very low117 Ų117137.7 Ų137.779%0.79183%0.829SS**  trans66.2128.9142.1-118.60000126.3
12S31Very low36.4Very low114 Ų114130.6 Ų130.680%0.79782%0.817SS**  trans89.8135.1132.2-150.80000121.5
13G29.8Very low36Very low73 Ų73126.7 Ų126.775%0.75381%0.812SS**  trans16099.117000000113.9
14Y36.3Very low36.6Very low241 Ų241136.8 Ų136.895%0.94583%0.83SS**  trans-85.4145.4170.6-76.2-96.8000111.2
15G30.6Very low36.7Very low81 Ų81130.8 Ų130.884%0.83582%0.822SS**  trans-176.2143.4173.400000113.6
16A36.5Very low37Very low100 Ų100133.7 Ų133.783%0.82683%0.829SS**  trans-92.4174.5-168.700000113.8
17P48.9Very low37.1Very low121 Ų121132.2 Ų132.279%0.78683%0.831SS**  trans-95170.8-160.638.9-37.5000114.9
18P38.9Very low36.9Very low119 Ų119133.2 Ų133.277%0.77383%0.827SS**  trans-122143.4156.736.5-25.5000115.3
19A33.6Very low37.4Very low103 Ų103127.5 Ų127.585%0.85182%0.824SS**  trans61.6124.9145.900000121.8
20Q44.3Very low37.6Very low203 Ų203127.5 Ų127.595%0.94981%0.813SS**  trans-65.1136.4158.1-67.6171.9-31.900110.9
21G30.8Very low37.5Very low74 Ų74131.4 Ų131.476%0.76382%0.818SS**  trans-140.5106.9164.500000109.1
22G37.1Very low38.6Very low89 Ų89132.5 Ų132.592%0.91882%0.815SS**  trans-73.8131.6-17700000112.2
23S28Very low39.5Very low117 Ų117133.7 Ų133.782%0.81881%0.811SS**  trans-142.1117.7165.2-173.30000109.7G25S23-G25 PolarHBondContact O-N 3.33Å; S23-G25 VanDerWaalsContact O-N 3.14Å
24W45.4Very low40.3Very low275 Ų275134 Ų134100%1.04280%0.801SS**  trans-73.3102.9177.1-83.1-26.1000110.3
25G34.6Very low41.1Very low67 Ų67132.4 Ų132.469%0.69180%0.801SS**  trans-140.585.5-177.400000114S23S23-G25 PolarHBondContact O-N 3.33Å; S23-G25 VanDerWaalsContact O-N 3.14Å
26K46.1Very low42.5Very low214 Ų214132.2 Ų132.293%0.9380%0.8SS**  trans51.275145.7-156.7169.1-174.3175.40117.4
27G35.6Very low43.5Very low78 Ų78131.5 Ų131.580%0.80478%0.782SS**  trans-85.8116.4166.400000112.5G29G27-G29 PolarHBondContact O-N 2.91Å
28E39.1Very low44.7Very low137 Ų137130.5 Ų130.564%0.6477%0.77SS**  trans-70.4117.2-179.9-154.4174.7173.200110.8R30E28-R30 VanDerWaalsContact CD-CZ 3.46Å; E28-R30 PolarHBondContact O-N 2.85Å; E28-R30 IonicContact OE1-CZ 3.35Å; E28-R30 IonicContact OE1-NH1 2.69Å; E28-R30 PolarHBondContact OE1-NH1 3.38Å; E28-R30 IonicContact OE1-NH2 2.76Å; E28-R30 IonicContact OE2-CZ 2.73Å; E28-R30 VanDerWaalsContact OE2-CZ 3.24Å; E28-R30 IonicContact OE2-NH1 3.2Å; E28-R30 PolarHBondContact OE2-NH1 2.93Å; E28-R30 IonicContact OE2-NH2 3.31Å; E28-R30 PolarHBondContact OE2-NH2 2.84Å
29G42.9Very low46.5Very low77 Ų77133.4 Ų133.479%0.79477%0.767SS**  trans-71.150.7-173.600000115.7G27 F31G27-G29 PolarHBondContact O-N 2.91Å; G29-F31 PolarHBondContact O-N 3.45Å
30R43.7Very low48.5Very low161 Ų161133.5 Ų133.561%0.60875%0.752SS**  trans-80.4102.6168.6-75.5-164.9-81.2-88.2-8.5109.4E28 L32E28-R30 VanDerWaalsContact CD-CZ 3.46Å; E28-R30 PolarHBondContact O-N 2.85Å; E28-R30 IonicContact OE1-CZ 3.35Å; E28-R30 IonicContact OE1-NH1 2.69Å; E28-R30 PolarHBondContact OE1-NH1 3.38Å; E28-R30 IonicContact OE1-NH2 2.76Å; E28-R30 IonicContact OE2-CZ 2.73Å; E28-R30 VanDerWaalsContact OE2-CZ 3.24Å; E28-R30 IonicContact OE2-NH1 3.2Å; E28-R30 PolarHBondContact OE2-NH1 2.93Å; E28-R30 IonicContact OE2-NH2 3.31Å; E28-R30 PolarHBondContact OE2-NH2 2.84Å; R30-L32 HydrophobicContact CB-CG 4.39Å; R30-L32 PolarHBondContact O-N 3.41Å
31F45.7Very low50Low198 Ų198128.1 Ų128.187%0.86873%0.727SS**  trans-65.982.5157.8-78.1-83.7000109.2G29 I33G29-F31 PolarHBondContact O-N 3.45Å; F31-I33 PolarHBondContact O-N 2.05Å; F31-I33 VanDerWaalsContact O-N 3.17Å
32L51.2Low52.4Low140 Ų140127.4 Ų127.473%0.73371%0.705SS**  trans-68.9105.4163.9-71.4171.1000107.3R30 P34R30-L32 HydrophobicContact CB-CG 4.39Å; R30-L32 PolarHBondContact O-N 3.41Å; L32-P34 WeakPolarHBondContact O-CD 3.47Å
33I51.2Low54.2Low139 Ų139125.1 Ų125.171%0.71368%0.675SS**  trans-67.4114.8164.9-58.3174.7000106.2F31 Q35F31-I33 PolarHBondContact O-N 2.05Å; F31-I33 VanDerWaalsContact O-N 3.17Å; I33-Q35 PolarHBondContact O-N 2.99Å
34P46.8Very low56.4Low81 Ų81125.2 Ų125.253%0.52666%0.66SS.*  trans-65.4126.4177-17.932.9000108.9L32 G36 L37L32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-G36 PolarHBondContact O-N 2.73Å; P34-L37 HydrophobicContact CG-CD1 4.2Å
35Q52.8Low57.8Low206 Ų206115.2 Ų115.296%0.96363%0.63SS**THydrogen-bonded Turntrans-66.7105171.5-69.1-175.5-6.200108.5I33I33-Q35 PolarHBondContact O-N 2.99Å
36G58.4Low60Low78 Ų78116.6 Ų116.680%0.80462%0.62SS**THydrogen-bonded Turntrans149.1-21175.500000116P34P34-G36 PolarHBondContact O-N 2.73Å
37L57.9Low61.3Low84 Ų84111.8 Ų111.844%0.4460%0.604SS.*  trans-76.7136-176.7-61.9-179.2000112.6P34 E41 I42P34-L37 HydrophobicContact CG-CD1 4.2Å; L37-E41 WeakPolarHBondContact CA-OE2 3.38Å; L37-I42 HydrophobicContact CB-CG1 4.19Å
38N75.6Confident62.9Low100 Ų100111.4 Ų111.454%0.53559%0.589SS.*  trans-68.9147.9175.4-171.3-74.2000110.2L40 E41 I42N38-L40 PolarHBondContact O-N 2.85Å; N38-L40 WeakPolarHBondContact OD1-CB 3.19Å; N38-L40 PolarHBondContact OD1-N 2.81Å; N38-E41 HydrophobicContact CB-CG 4.22Å; N38-E41 PolarHBondContact N-OE2 2.97Å; N38-E41 WeakPolarHBondContact O-CB 3.18Å; N38-E41 PolarHBondContact O-N 2.85Å; N38-I42 PolarHBondContact O-N 2.86Å
39Y75.1Confident64.3Low181 Ų181111.8 Ų111.871%0.7159%0.591SS**Hα-helixtrans-52-34177.4-176.9-98.5000112.8E41 I42 C43Y39-E41 PolarHBondContact O-N 2.96Å; Y39-I42 PolarHBondContact O-N 2.84Å; Y39-C43 PolarHBondContact O-N 2.86Å; Y39-C43 PolarHBondContact O-SG 3.15Å; Y39-C43 VanDerWaalsContact O-SG 3.34Å
40L76.7Confident65.7Low105 Ų105112.6 Ų112.655%0.5558%0.58SS.*Hα-helixtrans-64.8-35.6176-160.678.7000113.1N38 K44N38-L40 PolarHBondContact O-N 2.85Å; N38-L40 WeakPolarHBondContact OD1-CB 3.19Å; N38-L40 PolarHBondContact OD1-N 2.81Å; L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 2.95Å
41E75.9Confident66.4Low90 Ų90109.4 Ų109.442%0.42158%0.575SS.*Hα-helixtrans-75.1-36.1179.4-62.7173.5133.200111.6L37 N38 Y39 K44 T45L37-E41 WeakPolarHBondContact CA-OE2 3.38Å; N38-E41 HydrophobicContact CB-CG 4.22Å; N38-E41 PolarHBondContact N-OE2 2.97Å; N38-E41 WeakPolarHBondContact O-CB 3.18Å; N38-E41 PolarHBondContact O-N 2.85Å; Y39-E41 PolarHBondContact O-N 2.96Å; E41-K44 PolarHBondContact O-N 3.03Å; E41-T45 PolarHBondContact O-N 3.12Å; E41-T45 PolarHBondContact O-OG1 2.85Å
42I80.9Confident67.1Low58 Ų58105.2 Ų105.230%0.29757%0.568SS.*Hα-helixtrans-62.2-45.8171.8-60173.2000109.7L37 N38 Y39 K44 T45 I46L37-I42 HydrophobicContact CB-CG1 4.19Å; N38-I42 PolarHBondContact O-N 2.86Å; Y39-I42 PolarHBondContact O-N 2.84Å; I42-K44 PolarHBondContact O-N 3.43Å; I42-T45 WeakPolarHBondContact CA-OG1 3.2Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 PolarHBondContact O-OG1 3.29Å; I42-I46 HydrophobicContact CG2-CD1 3.92Å; I42-I46 VanDerWaalsContact O-CG1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.21Å; I42-I46 PolarHBondContact O-N 2.94Å
43C74.1Confident67.3Low42 Ų42103.9 Ų103.928%0.28457%0.571SS.*Hα-helixtrans-61.2-43.2174.2-70.40000112.5Y39 I46 L47Y39-C43 PolarHBondContact O-N 2.86Å; Y39-C43 PolarHBondContact O-SG 3.15Å; Y39-C43 VanDerWaalsContact O-SG 3.34Å; C43-I46 PolarHBondContact O-N 2.87Å; C43-L47 WeakPolarHBondContact O-CB 3.46Å; C43-L47 VanDerWaalsContact O-CG 3.25Å; C43-L47 WeakPolarHBondContact O-CG 3.15Å; C43-L47 PolarHBondContact O-N 2.99Å
44K73.8Confident67.5Low118 Ų118103.5 Ų103.551%0.51357%0.569SS.*Hα-helixtrans-62.9-43.9177.8-76.5175179.7-1740112.6L40 E41 I42 L47 S48L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 2.95Å; E41-K44 PolarHBondContact O-N 3.03Å; I42-K44 PolarHBondContact O-N 3.43Å; K44-L47 PolarHBondContact O-N 3.1Å; K44-S48 PolarHBondContact O-N 3.12Å; K44-S48 PolarHBondContact O-OG 2.72Å
45T74.8Confident68Low66 Ų66104.9 Ų104.941%0.40558%0.578SS.*Hα-helixtrans-68.3-36.1179.139.90000112.9E41 I42 S48 Q49E41-T45 PolarHBondContact O-N 3.12Å; E41-T45 PolarHBondContact O-OG1 2.85Å; I42-T45 WeakPolarHBondContact CA-OG1 3.2Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 PolarHBondContact O-OG1 3.29Å; T45-S48 PolarHBondContact O-OG 2.88Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; T45-Q49 VanDerWaalsContact O-CG 3.3Å; T45-Q49 WeakPolarHBondContact O-CG 3.07Å; T45-Q49 PolarHBondContact O-N 2.84Å
46I81.1Confident68.1Low95 Ų95100.6 Ų100.649%0.48757%0.568SS.*Hα-helixtrans-64.3-47.4171.7-67.9166.3000110.2I42 C43 S48 Q49 V50I42-I46 HydrophobicContact CG2-CD1 3.92Å; I42-I46 VanDerWaalsContact O-CG1 3.29Å; I42-I46 WeakPolarHBondContact O-CG1 3.21Å; I42-I46 PolarHBondContact O-N 2.94Å; C43-I46 PolarHBondContact O-N 2.87Å; I46-S48 PolarHBondContact O-N 3.14Å; I46-Q49 PolarHBondContact O-N 3.01Å; I46-Q49 VanDerWaalsContact O-N 3.17Å; I46-V50 PolarHBondContact O-N 2.68Å; I46-V50 VanDerWaalsContact O-N 3.16Å
47L73.1Confident67.9Low113 Ų113102.3 Ų102.359%0.59257%0.565SS**Hα-helixtrans-63-38.1-178.7-73.3168.6000113.1C43 K44 Q49 V50 N51C43-L47 WeakPolarHBondContact O-CB 3.46Å; C43-L47 VanDerWaalsContact O-CG 3.25Å; C43-L47 WeakPolarHBondContact O-CG 3.15Å; C43-L47 PolarHBondContact O-N 2.99Å; K44-L47 PolarHBondContact O-N 3.1Å; L47-Q49 VanDerWaalsContact C-N 3.34Å; L47-V50 WeakPolarHBondContact O-CG2 3.11Å; L47-V50 PolarHBondContact O-N 2.75Å; L47-N51 PolarHBondContact O-N 3.18Å
48S70.1Confident67.5Low71 Ų71104.1 Ų104.150%0.49758%0.582SS.*Hα-helixtrans-70.4-27.8175.362.90000113.5K44 T45 I46K44-S48 PolarHBondContact O-N 3.12Å; K44-S48 PolarHBondContact O-OG 2.72Å; T45-S48 PolarHBondContact O-OG 2.88Å; T45-S48 VanDerWaalsContact O-OG 3.1Å; I46-S48 PolarHBondContact O-N 3.14Å
49Q67.9Low66.5Low144 Ų144105.6 Ų105.667%0.67360%0.599SS**Hα-helixtrans-74.1-33.9174.8-74.2174.836.400113T45 I46 L47T45-Q49 VanDerWaalsContact O-CG 3.3Å; T45-Q49 WeakPolarHBondContact O-CG 3.07Å; T45-Q49 PolarHBondContact O-N 2.84Å; I46-Q49 PolarHBondContact O-N 3.01Å; I46-Q49 VanDerWaalsContact O-N 3.17Å; L47-Q49 VanDerWaalsContact C-N 3.34Å
50V71.8Confident65.3Low94 Ų9499.3 Ų99.357%0.5759%0.589SS**Hα-helixtrans-85.5-17178.3-65.60000114.4I46 L47I46-V50 PolarHBondContact O-N 2.68Å; I46-V50 VanDerWaalsContact O-N 3.16Å; L47-V50 WeakPolarHBondContact O-CG2 3.11Å; L47-V50 PolarHBondContact O-N 2.75Å
51N59.6Low64.2Low94 Ų94104.5 Ų104.550%0.50361%0.607SS.*  trans-139.678.1175.9-76.4-71.3000111.9L47 S53L47-N51 PolarHBondContact O-N 3.18Å; N51-S53 PolarHBondContact O-N 3.06Å
52P60.3Low62.5Low111 Ų111106.3 Ų106.372%0.72162%0.624SS**THydrogen-bonded Turntrans-69.4-10.2-179.528.4-35.7000114.4
53S56.3Low60.9Low112 Ų112109.4 Ų109.478%0.78364%0.641SS**THydrogen-bonded Turntrans-89.73.2-172.9-41.50000115.2N51N51-S53 PolarHBondContact O-N 3.06Å
54L55Low59.7Low130 Ų130114 Ų11468%0.68167%0.668SS**SBendtrans-112.9126.2-179.6-75.8166.9000110.5
55P57.1Low58.9Low110 Ų110115 Ų11571%0.71467%0.673SS**PPolyproline II helixtrans-64.7141.4173.727.5-33.2000110.1
56P54Low57.7Low117 Ų117120 Ų12076%0.7669%0.691SS**PPolyproline II helixtrans-64135.9176.927-33.7000109.9
57P54.6Low56.1Low113 Ų113121.7 Ų121.773%0.73471%0.71SS**PPolyproline II helixtrans-64.9143.4179.626.7-34000110.4C59P57-C59 PolarHBondContact O-N 2.95Å
58P50.9Low55.1Low122 Ų122119.6 Ų119.679%0.79272%0.715SS**PPolyproline II helixtrans-55.9134.8175.7-24.934000111.6G60P58-G60 PolarHBondContact O-N 3.2Å
59C54Low54.2Low131 Ų131122.1 Ų122.189%0.88573%0.728SS**SBendtrans-72.369.9169-90.10000110.6P57P57-C59 PolarHBondContact O-N 2.95Å
60G48.5Very low53.4Low49 Ų49123.9 Ų123.951%0.50574%0.736SS.*SBendtrans-116.6155.2165.900000109.6P58 V62P58-G60 PolarHBondContact O-N 3.2Å; G60-V62 PolarHBondContact O-N 2.69Å
61K53.7Low52.1Low215 Ų215125.1 Ų125.194%0.93574%0.743SS**  trans-54.3111.8-178.8-64172.9-177.6174.30109.9D63K61-D63 PolarHBondContact O-N 2.68Å; K61-D63 VanDerWaalsContact O-N 3.11Å
62V41.1Very low51.3Low128 Ų128127 Ų12778%0.77675%0.753SS**  trans-73.2103.4172.1177.90000107.2G60 T64G60-V62 PolarHBondContact O-N 2.69Å; V62-T64 PolarHBondContact O-N 2.96Å
63D48.1Very low50.9Low123 Ų123126.6 Ų126.666%0.65876%0.759SS**  trans-67116.9172.7-159.5-8.7000108.1K61 K65K61-D63 PolarHBondContact O-N 2.68Å; K61-D63 VanDerWaalsContact O-N 3.11Å; D63-K65 PolarHBondContact O-N 3.33Å
64T47.2Very low50.4Low138 Ų138129.6 Ų129.685%0.84776%0.758SS**  trans-82.753.1-177.153.70000111.3V62V62-T64 PolarHBondContact O-N 2.96Å
65K57.2Low49.9Very low140 Ų140129.4 Ų129.461%0.60976%0.762SS**  trans-98.8142.3167.3-82.4-172.4169.9-175.90111D63 C67D63-K65 PolarHBondContact O-N 3.33Å; K65-C67 PolarHBondContact O-N 2.81Å
66E50.4Low49.1Very low171 Ų171131.4 Ų131.480%0.79977%0.767SS**  trans32.162.8169.860.3-105.7160.500120.2G68E66-G68 PolarHBondContact O-N 3.39Å
67C47.7Very low48.7Very low129 Ų129135.1 Ų135.187%0.87277%0.771SS**  trans-76.666.7147.6-78.60000110.8K65 V69K65-C67 PolarHBondContact O-N 2.81Å; C67-V69 PolarHBondContact O-N 3.09Å
68G51.5Low48.3Very low69 Ų69137 Ų13771%0.71178%0.78SS**  trans-74.198.317300000111.2E66 Q70E66-G68 PolarHBondContact O-N 3.39Å; G68-Q70 PolarHBondContact O-N 3.21Å
69V52.1Low48Very low125 Ų125137.8 Ų137.876%0.75878%0.783SS**  trans-75.695.8174.7-175.20000109.3C67 V71C67-V69 PolarHBondContact O-N 3.09Å; V69-V71 HydrophobicContact CG1-CG1 4.08Å; V69-V71 PolarHBondContact O-N 2.73Å
70Q50.5Low47.5Very low181 Ų181140.5 Ų140.585%0.84678%0.782SS**  trans-68.591.4173.7-175.1178.5-1000110.3G68G68-Q70 PolarHBondContact O-N 3.21Å
71V45.1Very low47.7Very low119 Ų119142.1 Ų142.172%0.72179%0.785SS**  trans-79.7120.5169.4-68.90000110V69 A73V69-V71 HydrophobicContact CG1-CG1 4.08Å; V69-V71 PolarHBondContact O-N 2.73Å; V71-A73 PolarHBondContact O-N 3.31Å
72N43.3Very low47.5Very low134 Ų134137.6 Ų137.672%0.71778%0.78SS**  trans-62.9116.5166-112-54.3000108.1K74N72-K74 PolarHBondContact O-N 3.35Å
73A51.8Low48.1Very low102 Ų102138 Ų13884%0.84378%0.777SS**  trans-73.569.3179.300000111.5V71V71-A73 PolarHBondContact O-N 3.31Å
74K45.1Very low48.1Very low176 Ų176134.1 Ų134.177%0.76577%0.766SS**  trans-102.999.7167.8-70.1-171176.9-175.80108.7N72N72-K74 PolarHBondContact O-N 3.35Å
75V43.5Very low48Very low125 Ų125134.1 Ų134.176%0.75877%0.769SS**SBendtrans29.1120.4153.9-1770000117.4
76D40.5Very low47.5Very low153 Ų153135.8 Ų135.882%0.81878%0.776SS**SBendtrans67.945.8157.9-57.1-16.3000119.7
77K45.7Very low47.2Very low195 Ų195133.9 Ų133.985%0.84878%0.776SS**  trans-130.9103.5151-75-170.8176.7177.10112.6V79K77-V79 PolarHBondContact O-N 2.76Å
78V46.3Very low46.8Very low151 Ų151135.4 Ų135.492%0.91578%0.775SS**  trans-72.5115.6169.8-82.60000110.8
79V44.1Very low46.1Very low140 Ų140139.9 Ų139.985%0.84878%0.782SS**  trans-99.2107172.7-171.30000108.6K77 C81K77-V79 PolarHBondContact O-N 2.76Å; V79-C81 PolarHBondContact O-N 2.83Å
80Q44.3Very low45.2Very low188 Ų188142.5 Ų142.588%0.87978%0.779SS**  trans-84.4108.1-175-175.1175.3-2900111.4
81C51.6Low44.5Very low83 Ų83139.1 Ų139.156%0.56177%0.771SS**  trans-67.2134.1169.6-178.40000110.8V79 L83 G84V79-C81 PolarHBondContact O-N 2.83Å; C81-L83 PolarHBondContact O-N 2.8Å; C81-L83 VanDerWaalsContact O-N 3.16Å; C81-G84 PolarHBondContact O-N 2.83Å
82S51Low43.9Very low120 Ų120139.9 Ų139.984%0.83977%0.766SS**THydrogen-bonded Turntrans-70.6-4.8-178.4550000114.8
83L52.9Low43.4Very low135 Ų135141.8 Ų141.871%0.70777%0.77SS**THydrogen-bonded Turntrans-95.6-1-178.7-59.2178000114C81C81-L83 PolarHBondContact O-N 2.8Å; C81-L83 VanDerWaalsContact O-N 3.16Å
84G49Very low42.7Very low42 Ų42142.7 Ų142.743%0.43377%0.768SS.*  trans73.2175-177.400000113.9C81 K86C81-G84 PolarHBondContact O-N 2.83Å; G84-K86 PolarHBondContact O-N 2.84Å
85P43.6Very low42.1Very low138 Ų138138.7 Ų138.790%0.89677%0.767SS**  trans-72110.9179.728.9-33000110.5
86K47Very low41.6Very low175 Ų175138.4 Ų138.476%0.76177%0.771SS**  trans-107.3111.4165.1-80.7-176174.4179.10109.3G84 L88G84-K86 PolarHBondContact O-N 2.84Å; K86-L88 PolarHBondContact O-N 2.85Å
87T43.7Very low40.8Very low132 Ų132135.8 Ų135.881%0.8176%0.764SS**  trans-68.8112.4166.6-19.50000108L89T87-L89 PolarHBondContact O-N 3Å
88L40.2Very low40Very low161 Ų161133 Ų13384%0.84376%0.758SS**PPolyproline II helixtrans-75.8120.7169-66.7177000107.8K86 Y90K86-L88 PolarHBondContact O-N 2.85Å; L88-Y90 PolarHBondContact O-N 3.08Å
89L36.3Very low39.1Very low162 Ų162133.5 Ų133.585%0.84876%0.755SS**PPolyproline II helixtrans-73.3117.5171.6-68.4174.5000108.3T87T87-L89 PolarHBondContact O-N 3Å
90Y33.7Very low38.2Very low181 Ų181131.7 Ų131.771%0.7175%0.748SS**PPolyproline II helixtrans-78.6117.6172.9-176.9-114.2000108.7L88 E92L88-Y90 PolarHBondContact O-N 3.08Å; Y90-E92 HydrophobicContact CD1-CB 4.17Å; Y90-E92 HydrophobicContact CE1-CB 3.61Å; Y90-E92 HydrophobicContact CE1-CG 3.76Å; Y90-E92 PolarHBondContact OH-OE1 2.91Å
91V35.1Very low37.4Very low110 Ų110130.6 Ų130.667%0.66774%0.743SS**  trans-103.6110.6168.4175.50000106.9
92E33.3Very low36.3Very low135 Ų135132 Ų13263%0.63175%0.749SS**  trans-89.4115.3177.4-158.6164.5-160.900109.3Y90Y90-E92 HydrophobicContact CD1-CB 4.17Å; Y90-E92 HydrophobicContact CE1-CB 3.61Å; Y90-E92 HydrophobicContact CE1-CG 3.76Å; Y90-E92 PolarHBondContact OH-OE1 2.91Å
93H31.6Very low35.3Very low173 Ų173134.1 Ų134.180%0.80175%0.745SS**  trans-126.597.7169-82.9-9.1000108.8
94P37.3Very low34Very low122 Ų122133.3 Ų133.379%0.79274%0.742SS**  trans-76.4136160.730.9-29.8000109.3
95A33.4Very low33Very low91 Ų91139.2 Ų139.275%0.75276%0.758SS**  trans-104152.8175.700000111.4
96S32.1Very low32.3Very low119 Ų119136.8 Ų136.883%0.83274%0.744SS**  trans71.9137.7176.275.60000116.8
97C25.6Very low31.6Very low98 Ų98136.5 Ų136.566%0.66275%0.75SS**  cis-168.9155.5-9.249.30000113.5
98N28.3Very low30.9Very low138 Ų138137.3 Ų137.374%0.73875%0.75SS**  trans73.5123.5149.9-57-14.7000121.6
99N26.8Very low30.5Very low160 Ų160134.7 Ų134.786%0.85674%0.74SS**  trans63.5134.1159.9-560.1000116
100C25.9Very low30.2Very low102 Ų102132.6 Ų132.669%0.68973%0.734SS**  cis-155.8-173.4-7.358.80000108.2
101E26.7Very low30Very low165 Ų165133 Ų13377%0.77174%0.74SS**  cis-147.3-157.510.9-155.762.9-85.600109.5
102T29Very low29.7Very low113 Ų113132.6 Ų132.669%0.69375%0.748SS**  trans-129.1169.4175.8-46.70000110.9
103H29.2Very low29.7Very low165 Ų165134.7 Ų134.776%0.76476%0.758SS**  trans92.7138.7174-69.3-77.4000116.2
104D26.1Very low29.6Very low118 Ų118130 Ų13063%0.63176%0.756SS**  cis-157.2-172.4-4.4-146-128.1000112.5
105E29.3Very low29.4Very low165 Ų165133.9 Ų133.977%0.77176%0.761SS**  trans-8.7163153.8-80.1-163.54200121.3
106S28.1Very low29.2Very low87 Ų87134.4 Ų134.461%0.60877%0.765SS**  cis179.8-173.7-8.9178.60000108.1
107L32.4Very low29.7Very low170 Ų170136.3 Ų136.389%0.8977%0.765SS**  trans86.5163.6160.4-57.2177.5000120.1
108D29.3Very low30.1Very low148 Ų148140 Ų14079%0.79178%0.777SS**  trans-130-170-141.2174.232.7000111
109V31.3Very low30.3Very low106 Ų106137.8 Ų137.864%0.64278%0.778SS**  trans11189.2152.5-176.70000117.8
110T30.3Very low31.2Very low119 Ų119136.8 Ų136.873%0.7378%0.777SS**  trans72.8118134.764.60000124.3
111K29.7Very low32Very low188 Ų188137.3 Ų137.382%0.81778%0.78SS**  62.1111.2116.3-161.7-175.9-174.3-176.60121
112A29.3Very low32.7Very low103 Ų103135.5 Ų135.585%0.85178%0.782SS**  trans-155.5150.1138.100000111.5
113E31.3Very low33.2Very low179 Ų179138 Ų13884%0.83679%0.788SS**  trans-97151.4-175.4-60.4162.8168.300111.4
114G29.5Very low33.7Very low74 Ų74135.5 Ų135.576%0.76379%0.789SS**  trans163.595167.800000118.7
115K33Very low34.9Very low204 Ų204136.7 Ų136.789%0.88780%0.796SS**  trans29.2104.9151.9-67.1-175.3174.9-176.80119.2L117K115-L117 PolarHBondContact O-N 3Å
116A30.4Very low35.7Very low101 Ų101135.3 Ų135.384%0.83579%0.793SS**  trans-74.4110.8159.300000111.7
117L41.6Very low37Very low160 Ų160142.7 Ų142.784%0.83881%0.807SS**  trans-124.886158.9-93168000107.7K115 A119K115-L117 PolarHBondContact O-N 3Å; L117-A119 PolarHBondContact O-N 3.25Å; L117-A119 VanDerWaalsContact O-N 3.08Å
118L35.3Very low37.3Very low176 Ų176143.2 Ų143.292%0.92180%0.803SS**  trans-75.499173.6-78.5173.5000109.4
119A31.8Very low38.3Very low90 Ų90144.1 Ų144.174%0.74481%0.806SS**PPolyproline II helixtrans-64.1137.3171.100000111.3L117L117-A119 PolarHBondContact O-N 3.25Å; L117-A119 VanDerWaalsContact O-N 3.08Å
120T44.9Very low39.2Very low139 Ų139150 Ų15085%0.85382%0.817SS**PPolyproline II helixtrans-80.5136.4168.9-12.50000110.6
121P44.1Very low40Very low113 Ų113150.7 Ų150.773%0.73482%0.824SS**PPolyproline II helixtrans-101.5165.7154.5145.1000111.7
122P40.5Very low40.9Very low128 Ų128147.9 Ų147.983%0.83182%0.822SS**PPolyproline II helixtrans-101169.5-143.237.5-37.7000117.7
123M40.9Very low41.8Very low165 Ų165146.6 Ų146.681%0.81381%0.807SS**  trans-41.4133.1-179.2-51.7171.4-168.300116.5
124S39.1Very low42.8Very low112 Ų112145.8 Ų145.878%0.78381%0.806SS**  trans-98.7123.2154.163.10000110.2L126S124-L126 PolarHBondContact O-N 3.21Å
125N50.5Low43.3Very low144 Ų144152.5 Ų152.577%0.7781%0.81SS**  trans-86.562.8-165.8-73.3-59.1000113.9
126L46Very low43.5Very low135 Ų135146.3 Ų146.371%0.70779%0.793SS**  trans-11391.6171.4-72.7171.6000111.2S124 F128S124-L126 PolarHBondContact O-N 3.21Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 HydrophobicContact CB-CE2 4.18Å; L126-F128 PolarHBondContact O-N 3.21Å
127R55.4Low44.1Very low242 Ų242147.3 Ų147.391%0.91379%0.79SS**  trans-70.988.1170.2-64.4-176.3-172.9-178.63.3109.6L129R127-L129 PolarHBondContact O-N 3.04Å
128F39.3Very low44.3Very low182 Ų182145.8 Ų145.880%0.79879%0.788SS**  trans-62.1105.6164.6-71.1-80.5000109.2L126 R130L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 HydrophobicContact CB-CE2 4.18Å; L126-F128 PolarHBondContact O-N 3.21Å; F128-R130 PolarHBondContact O-N 3.33Å
129L49.9Very low44.4Very low166 Ų166146.5 Ų146.587%0.86978%0.784SS**  trans-60.3118.7169.1-69.4171000107.9R127R127-L129 PolarHBondContact O-N 3.04Å
130R49.7Very low44.8Very low230 Ų230148.8 Ų148.887%0.86878%0.783SS**  trans-59.4136.1175.6-74.6-172.5176165.60.1109.3F128 V132F128-R130 PolarHBondContact O-N 3.33Å; R130-V132 PolarHBondContact O-N 3.05Å
131P47.8Very low44.9Very low133 Ų133153.5 Ų153.586%0.86479%0.786SS**  trans-58.6115.1174.3-23.933.8000110.6S133P131-S133 PolarHBondContact O-N 3.47Å
132V49.3Very low45.1Very low129 Ų129158.5 Ų158.578%0.78279%0.79SS**  trans-69.9125.3167.7177.60000107.1R130 I134R130-V132 PolarHBondContact O-N 3.05Å; V132-I134 PolarHBondContact O-N 3.42Å
133S47.9Very low44.9Very low76 Ų76158.6 Ų158.653%0.53179%0.788SS.*  trans-63.4122.517755.10000110.1P131 Y135P131-S133 PolarHBondContact O-N 3.47Å; S133-Y135 PolarHBondContact O-N 3.46Å
134I52.8Low44.6Very low162 Ų162159 Ų15983%0.83179%0.785SS**SBendtrans-60.5-17.2-176.8-66.2173.4000112.7V132V132-I134 PolarHBondContact O-N 3.42Å
135Y38.8Very low44.4Very low216 Ų216162.3 Ų162.385%0.84779%0.793SS**  trans-110.575.9174-74.7-89.8000112.4S133S133-Y135 PolarHBondContact O-N 3.46Å
136S38.6Very low43.6Very low74 Ų74164.4 Ų164.452%0.51780%0.795SS.*  trans-114.3132.6147.8-820000108.3V138S136-V138 VanDerWaalsContact C-N 3.26Å; S136-V138 PolarHBondContact O-N 3.25Å
137P43Very low42.8Very low121 Ų121162.4 Ų162.479%0.78679%0.793SS**  trans-76.379.2-17931.8-34.3000110.1F139P137-F139 PolarHBondContact O-N 3.03Å
138V44.3Very low41.9Very low128 Ų128159.1 Ų159.178%0.77679%0.792SS**  trans-76.9110.1167.8-161.20000106.9S136 D140S136-V138 VanDerWaalsContact C-N 3.26Å; S136-V138 PolarHBondContact O-N 3.25Å; V138-D140 PolarHBondContact O-N 2.85Å; V138-D140 VanDerWaalsContact O-N 3.15Å
139F38.7Very low41.4Very low191 Ų191155.1 Ų155.184%0.83879%0.786SS**  trans-64.5115.4170.4-80.2-89.5000108.6P137 R141P137-F139 PolarHBondContact O-N 3.03Å; F139-R141 PolarHBondContact O-N 3.24Å
140D39.1Very low40.5Very low138 Ų138155 Ų15574%0.73879%0.786SS**  trans-61.9132.3174.7-167.5-0.9000109.6V138 R142V138-D140 PolarHBondContact O-N 2.85Å; V138-D140 VanDerWaalsContact O-N 3.15Å; D140-R142 PolarHBondContact OD1-N 3.07Å
141R47.5Very low39.5Very low239 Ų239147.9 Ų147.990%0.90278%0.784SS**  trans-127.543.5-170-146.4180-165.2-1693.4110.7F139F139-R141 PolarHBondContact O-N 3.24Å
142R48Very low38.6Very low218 Ų218146.6 Ų146.682%0.82379%0.785SS**  trans-132.857.8-176.4-80.5-164.3-83.8-156.7-7.5116.3D140D140-R142 PolarHBondContact OD1-N 3.07Å
143V36.5Very low37.6Very low130 Ų130143.9 Ų143.979%0.78878%0.782SS**  trans-157.6135.3142.5-121.20000106.5
144F34.9Very low36.8Very low174 Ų174149.5 Ų149.576%0.76380%0.8SS**  cis-131148.56-95.5-106.2000109.6
145L33.6Very low35.6Very low180 Ų180149 Ų14994%0.94280%0.8SS**  -149.5116.8130-140.982.5000108.1
146K33.7Very low35.7Very low188 Ų188144.1 Ų144.182%0.81779%0.794SS**  trans-96.2135.1174.2-168168.6-179177.20107.6
147S30.6Very low35.2Very low94 Ų94146.7 Ų146.766%0.65781%0.806SS**  trans-40.1135.5-174.9-174.60000115.3
148L34.9Very low34.5Very low172 Ų172149.6 Ų149.690%0.90181%0.81SS**  -129.1135.4126.8-81.8174.5000108.4
149C30.6Very low33.7Very low98 Ų98148.2 Ų148.266%0.66281%0.811SS**  trans-71.9145161.1-66.40000108.5
150D31Very low33.2Very low165 Ų165143.6 Ų143.688%0.88280%0.803SS**  -175.6152.2101.2-85.5-26.7000109.9
151G28.3Very low32.7Very low79 Ų79144.3 Ų144.381%0.81481%0.807SS**  trans-111.2134.2-175.400000112.6
152A28.9Very low31.9Very low107 Ų107141.4 Ų141.488%0.88480%0.803SS**  trans-157.5148.2154.900000107.7
153G27.5Very low31Very low71 Ų71134.7 Ų134.773%0.73279%0.794SS**  trans-107.2-162.9-175.700000114.2
154Q30.8Very low30.8Very low194 Ų194138.1 Ų138.191%0.90780%0.799SS**  trans85.1113.8173.6-55.5178.22300116.5
155D28.1Very low30.5Very low153 Ų153134.5 Ų134.582%0.81880%0.795SS**  trans-59.6158.2147.6-45.9-88.3000109.5
156P40.4Very low30.3Very low112 Ų112133 Ų13373%0.72779%0.788SS**  -150.9154.282.942.1-24.7000117.2
157V28.6Very low30.3Very low128 Ų128127.7 Ų127.778%0.77678%0.779SS**  trans34.3137.6143.6-48.40000123.8
158E27.8Very low30.2Very low183 Ų183130.5 Ų130.586%0.85579%0.787SS**  trans42.3120.7134.4-66.2-75.3140.700121.2
159A27.8Very low30.1Very low98 Ų98128.7 Ų128.781%0.8178%0.783SS**  -178.5154.8110.600000113.3
160S29.3Very low29.9Very low95 Ų95130.9 Ų130.966%0.66479%0.788SS**  trans-78.2152.6172.3172.70000112.3
161D28.1Very low30Very low152 Ų152131.4 Ų131.481%0.81379%0.785SS**  176.9-174.7119.2-87.6-4.2000113.8
162Q29.9Very low30.1Very low178 Ų178133 Ų13383%0.83278%0.783SS**  -140.2143.3-126.6171.1168.724.200116
163A30.8Very low30Very low77 Ų77130.8 Ų130.864%0.63677%0.771SS**  trans80.6145.414800000124.1
164K32.1Very low30.1Very low202 Ų202135.5 Ų135.588%0.87878%0.78SS**  trans67.7150.8159.4-68.5167.1-179.1-176.20116.4
165S28.4Very low30.1Very low98 Ų98133.3 Ų133.369%0.68577%0.774SS**  cis-169.5179.6-18.856.60000107.4
166D29.4Very low30.3Very low150 Ų150133.3 Ų133.380%0.80277%0.773SS**  cis-156.4-153.46.5-141.3-58.5000111.3
167A32.4Very low30Very low76 Ų76135.2 Ų135.263%0.62877%0.773SS**  trans-59.7173.9177.200000117.5
168D29Very low30.2Very low153 Ų153137.1 Ų137.182%0.81878%0.778SS**  cis-167.21774.4-134.9-26.1000112
169T32.2Very low30.5Very low133 Ų133131.7 Ų131.782%0.81677%0.771SS**  trans106.1133155.5-39.90000121
170D27.6Very low30.8Very low144 Ų144133.1 Ų133.177%0.7777%0.77SS**  trans-89.6151.2-177-56.1-79.6000117.3
171H32.6Very low31.2Very low177 Ų177138.3 Ų138.382%0.81978%0.78SS**  173.9127.9125.8-99.851.4000109.7
172S30.7Very low31.3Very low111 Ų111136.5 Ų136.578%0.77678%0.775SS**  79.4116.173.8-165.50000114.2
173G27Very low31.5Very low61 Ų61134.1 Ų134.163%0.62977%0.773SS**  trans80.6150.5177.600000114.6
174D28.8Very low32.2Very low171 Ų171137.5 Ų137.591%0.91478%0.779SS**  cis-150.1172.61.7-78.2-40.1000111.9
175N30.4Very low32.6Very low148 Ų148133.2 Ų133.279%0.79177%0.772SS**  trans-77.6128.2177.6-179-43.1000112
176L34Very low33.7Very low153 Ų153140.4 Ų140.480%0.80178%0.784SS**  trans-151155.3144-148.761.7000113.6
177E33.1Very low34.4Very low152 Ų152138.2 Ų138.271%0.7178%0.78SS**  trans-66.8148-169.567.4-151.5-12500116.8
178N32Very low35Very low167 Ų167139.5 Ų139.589%0.89378%0.784SS**  trans-168.9113.5140.4-93.2-49.1000106
179G34Very low35.9Very low69 Ų69142.4 Ų142.471%0.71179%0.79SS**  cis127.8-8.734.100000111.3K181G179-K181 PolarHBondContact O-N 3.25Å; G179-K181 VanDerWaalsContact O-N 3.15Å
180V35.9Very low36.9Very low128 Ų128139.8 Ų139.878%0.77678%0.777SS**  trans-84.190.1-178.3-173.20000111.5T182V180-T182 VanDerWaalsContact C-N 3.27Å; V180-T182 PolarHBondContact O-N 3.44Å
181K36.9Very low38.1Very low204 Ų204136.8 Ų136.889%0.88777%0.765SS**  trans-71.479165.8-75177178.4168.80110.6G179 T183G179-K181 PolarHBondContact O-N 3.25Å; G179-K181 VanDerWaalsContact O-N 3.15Å; K181-T183 PolarHBondContact O-N 3.38Å
182T30.7Very low39.2Very low114 Ų114135.4 Ų135.470%0.69976%0.764SS**  trans-70.4101.5163.6-59.60000108.5V180 I184V180-T182 VanDerWaalsContact C-N 3.27Å; V180-T182 PolarHBondContact O-N 3.44Å; T182-I184 PolarHBondContact O-N 3.3Å
183T33.6Very low40.5Very low129 Ų129135.2 Ų135.279%0.79175%0.749SS**  trans-58102.8176.4-7.60000109.7K181 P185K181-T183 PolarHBondContact O-N 3.38Å; T183-P185 WeakPolarHBondContact O-CD 3.12Å
184I46.5Very low42.6Very low148 Ų148136.5 Ų136.576%0.75974%0.739SS**  trans-65.4115.1168.9-57.8172.4000106.4T182 R186T182-I184 PolarHBondContact O-N 3.3Å; I184-R186 PolarHBondContact O-N 2.7Å; I184-R186 VanDerWaalsContact O-N 3.09Å
185P39.8Very low44.9Very low112 Ų112132.5 Ų132.573%0.72771%0.714SS**  trans-63119.4169.726.9-31.5000106.8T183 S187T183-P185 WeakPolarHBondContact O-CD 3.12Å; P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 3.09Å
186R50.9Low47.6Very low248 Ų248126.2 Ų126.294%0.93668%0.68SS**  trans-59.492171.5-84.7178.6168.1158.1-3.9108I184 S188I184-R186 PolarHBondContact O-N 2.7Å; I184-R186 VanDerWaalsContact O-N 3.09Å; R186-S188 PolarHBondContact O-N 2.76Å
187S43.5Very low50.1Low104 Ų104121.7 Ų121.773%0.72766%0.655SS**  trans-61.3136.7168.355.90000107.9P185P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 3.09Å
188S45.2Very low52.6Low103 Ų103117.1 Ų117.172%0.7263%0.633SS**  trans-38.3146.3171.243.40000112.1R186 S190R186-S188 PolarHBondContact O-N 2.76Å; S188-S190 PolarHBondContact O-N 3.14Å
189K49.1Very low55.4Low215 Ų215111.1 Ų111.194%0.93560%0.598SS**  trans-62.478.3173.2-65.8177.7-178.8176.10110.2
190S52.4Low58.1Low77 Ų77108.2 Ų108.254%0.53857%0.566SS.*  trans-58.8144.5160.2540000107.7S188 N192S188-S190 PolarHBondContact O-N 3.14Å; S190-N192 PolarHBondContact O-N 3.36Å
191P53.6Low60.8Low81 Ų81102.1 Ų102.153%0.52653%0.529SS..  trans-56.7134.3168.9-18.330.3000107.9F193P191-F193 HydrophobicContact CB-CD1 4.39Å; P191-F193 HydrophobicContact CB-CD2 3.96Å; P191-F193 HydrophobicContact CB-CE1 4.01Å; P191-F193 HydrophobicContact CB-CE2 3.57Å; P191-F193 HydrophobicContact CB-CG 4.37Å; P191-F193 HydrophobicContact CB-CZ 3.59Å; P191-F193 HydrophobicContact CG-CD2 4.39Å; P191-F193 HydrophobicContact CG-CE2 3.59Å; P191-F193 HydrophobicContact CG-CZ 3.68Å; P191-F193 VanDerWaalsContact O-CD2 3.28Å; P191-F193 WeakPolarHBondContact O-CD2 3.48Å; P191-F193 PolarHBondContact O-N 3.29Å
192N55.9Low63.4Low149 Ų14993.2 Ų93.280%0.79749%0.49SS*.  trans-71.970.2179.3-80.8-57.3000110.3S190 Q194S190-N192 PolarHBondContact O-N 3.36Å; N192-Q194 PolarHBondContact O-N 2.88Å
193F57.5Low66.5Low107 Ų10787.8 Ų87.847%0.46946%0.457SS..  trans-67.191.4178.3-66.6-63.7000109.7P191 F195P191-F193 HydrophobicContact CB-CD1 4.39Å; P191-F193 HydrophobicContact CB-CD2 3.96Å; P191-F193 HydrophobicContact CB-CE1 4.01Å; P191-F193 HydrophobicContact CB-CE2 3.57Å; P191-F193 HydrophobicContact CB-CG 4.37Å; P191-F193 HydrophobicContact CB-CZ 3.59Å; P191-F193 HydrophobicContact CG-CD2 4.39Å; P191-F193 HydrophobicContact CG-CE2 3.59Å; P191-F193 HydrophobicContact CG-CZ 3.68Å; P191-F193 VanDerWaalsContact O-CD2 3.28Å; P191-F193 WeakPolarHBondContact O-CD2 3.48Å; P191-F193 PolarHBondContact O-N 3.29Å; F193-F195 VanDerWaalsContact C-N 3.28Å; F193-F195 HydrophobicContact CB-CD2 4.41Å; F193-F195 HydrophobicContact CB-CE1 4.22Å; F193-F195 HydrophobicContact CB-CE2 3.82Å; F193-F195 HydrophobicContact CB-CZ 3.73Å; F193-F195 HydrophobicContact CG-CZ 4.43Å; F193-F195 WeakPolarHBondContact O-CD2 3.49Å; F193-F195 PolarHBondContact O-N 2.94Å
194Q70.4Confident69.5Low88 Ų8884 Ų8441%0.41143%0.43SS..  trans-73.885.4171-71.9-172.715.700109.6N192 I220 I296N192-Q194 PolarHBondContact O-N 2.88Å; Q194-I220 HydrophobicContact CB-CG2 4.12Å; Q194-I220 HydrophobicContact CG-CG2 4.3Å; Q194-I296 HydrophobicContact CB-CD1 3.99Å; Q194-I296 HydrophobicContact CG-CD1 4.08Å
195F78.1Confident71.9Confident87 Ų8777 Ų7738%0.38239%0.394SS..  trans-59.7147174.3-62.1-71.1000111.4F193 S221 S292 F293F193-F195 VanDerWaalsContact C-N 3.28Å; F193-F195 HydrophobicContact CB-CD2 4.41Å; F193-F195 HydrophobicContact CB-CE1 4.22Å; F193-F195 HydrophobicContact CB-CE2 3.82Å; F193-F195 HydrophobicContact CB-CZ 3.73Å; F193-F195 HydrophobicContact CG-CZ 4.43Å; F193-F195 WeakPolarHBondContact O-CD2 3.49Å; F193-F195 PolarHBondContact O-N 2.94Å; F195-S221 WeakPolarHBondContact O-CB 3.36Å; F195-S221 PolarHBondContact O-N 2.73Å; F195-S292 WeakPolarHBondContact CA-O 3.24Å; F195-S292 WeakPolarHBondContact CD1-OG 3.24Å; F195-F293 HydrophobicContact CE1-CD1 4.16Å; F195-F293 AromaticContact CE1-CE1 3.83Å; F195-F293 HydrophobicContact CE1-CE1 3.83Å
196L86.1Confident74.5Confident15 Ų1580.2 Ų80.28%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-94.9129171.3-66.5175.7000110.9W218 C219 I220 Y227 T290L196-W218 HydrophobicContact CB-CE3 3.67Å; L196-W218 HydrophobicContact CB-CZ3 4.27Å; L196-C219 CarbonylContact C-O 3.56Å; L196-C219 WeakPolarHBondContact CA-O 3.28Å; L196-I220 HydrophobicContact CD2-CG1 4.31Å; L196-Y227 HydrophobicContact CD1-CD1 3.55Å; L196-Y227 HydrophobicContact CD1-CE1 4.04Å; L196-Y227 HydrophobicContact CD1-CG 3.91Å; L196-Y227 HydrophobicContact CD2-CD1 4.29Å; L196-Y227 HydrophobicContact CD2-CD2 4.09Å; L196-Y227 HydrophobicContact CD2-CG 3.76Å; L196-T290 HydrophobicContact CD1-CG2 3.91Å
197E86.3Confident76.6Confident58 Ų5876.4 Ų76.427%0.27139%0.387SS..EExtended strand (participates in β ladder)trans-105.7139.8178.5-166.3-161.5131.600110R199 W218 C219E197-R199 VanDerWaalsContact CD-NE 3.29Å; E197-R199 WeakPolarHBondContact OE1-CG 3.36Å; E197-R199 IonicContact OE1-CZ 2.68Å; E197-R199 IonicContact OE1-NE 3.47Å; E197-R199 PolarHBondContact OE1-NE 3.36Å; E197-R199 IonicContact OE1-NH2 3.72Å; E197-R199 PolarHBondContact OE1-NH2 2.89Å; E197-R199 IonicContact OE2-CZ 3.24Å; E197-R199 IonicContact OE2-NE 3.44Å; E197-R199 PolarHBondContact OE2-NE 2.76Å; E197-R199 IonicContact OE2-NH2 3.52Å; E197-R199 PolarHBondContact OE2-NH2 2.79Å; E197-W218 CarbonylContact O-C 3.58Å; E197-W218 WeakPolarHBondContact O-CA 3.22Å; E197-C219 PolarHBondContact N-O 2.68Å; E197-C219 PolarHBondContact O-N 3.42Å
198Q86.8Confident79.1Confident56 Ų5673.1 Ų73.126%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-84.6125.1173.5-63.7-179.51000110.4Y216 W218 I247Q198-Y216 VanDerWaalsContact OE1-CD1 3.31Å; Q198-W218 HydrophobicContact CG-CD2 3.96Å; Q198-W218 HydrophobicContact CG-CE3 3.72Å; Q198-W218 HydrophobicContact CG-CH2 3.78Å; Q198-W218 HydrophobicContact CG-CZ2 3.92Å; Q198-W218 HydrophobicContact CG-CZ3 3.64Å; Q198-I247 HydrophobicContact CB-CD1 3.76Å; Q198-I247 WeakPolarHBondContact O-CD1 3.29Å
199R89.6Confident81.6Confident42 Ų4273.2 Ų73.216%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-127.9154.7176.2-68.7-167.1179.2178.45.3112E197 V217 S223 V244 E245E197-R199 VanDerWaalsContact CD-NE 3.29Å; E197-R199 WeakPolarHBondContact OE1-CG 3.36Å; E197-R199 IonicContact OE1-CZ 2.68Å; E197-R199 IonicContact OE1-NE 3.47Å; E197-R199 PolarHBondContact OE1-NE 3.36Å; E197-R199 IonicContact OE1-NH2 3.72Å; E197-R199 PolarHBondContact OE1-NH2 2.89Å; E197-R199 IonicContact OE2-CZ 3.24Å; E197-R199 IonicContact OE2-NE 3.44Å; E197-R199 PolarHBondContact OE2-NE 2.76Å; E197-R199 IonicContact OE2-NH2 3.52Å; E197-R199 PolarHBondContact OE2-NH2 2.79Å; R199-V217 PolarHBondContact N-O 3.03Å; R199-V217 PolarHBondContact O-N 3.12Å; R199-S223 PolarHBondContact NH1-O 2.83Å; R199-V244 HydrophobicContact CB-CB 4.41Å; R199-E245 WeakPolarHBondContact CB-O 3.44Å
200Y90.6Very high83.7Confident8 Ų865.5 Ų65.53%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-77.1127.1170.4-158.4-83.2000109F202 E213 A215 V244 E245 H265Y200-F202 HydrophobicContact CD1-CD2 4.32Å; Y200-F202 HydrophobicContact CD1-CE1 4.3Å; Y200-F202 AromaticContact CD1-CE2 3.66Å; Y200-F202 HydrophobicContact CD1-CE2 3.66Å; Y200-F202 AromaticContact CD1-CZ 3.66Å; Y200-F202 HydrophobicContact CD1-CZ 3.66Å; Y200-F202 AromaticContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE2 4.16Å; Y200-F202 AromaticContact CE1-CZ 3.72Å; Y200-F202 HydrophobicContact CE1-CZ 3.72Å; Y200-E213 HydrophobicContact CE1-CB 3.87Å; Y200-E213 HydrophobicContact CE1-CG 4.2Å; Y200-E213 PolarHBondContact OH-OE2 3.45Å; Y200-A215 HydrophobicContact CD2-CB 3.71Å; Y200-A215 HydrophobicContact CE2-CB 3.76Å; Y200-V244 CarbonylContact O-C 3.45Å; Y200-V244 VanDerWaalsContact O-CA 3.23Å; Y200-V244 WeakPolarHBondContact O-CA 3.32Å; Y200-E245 PolarHBondContact N-O 3.47Å; Y200-E245 PolarHBondContact O-N 3.06Å; Y200-H265 HydrophobicContact CD2-CB 3.44Å; Y200-H265 VanDerWaalsContact CD2-CB 3.44Å; Y200-H265 HydrophobicContact CE2-CB 3.69Å; Y200-H265 HydrophobicContact CG-CB 4.06Å
201G92.4Very high85.7Confident0 Ų069.4 Ų69.40%033%0.327CS..EExtended strand (participates in β ladder)trans-124.6137.1-176.300000113.8E213 S214G201-E213 WeakPolarHBondContact O-CA 3.44Å; G201-S214 PolarHBondContact N-O 3.02Å; G201-S214 PolarHBondContact O-N 3.29Å
202F93.2Very high87.6Confident16 Ų1666.7 Ų66.77%0.0731%0.307CS..EExtended strand (participates in β ladder)trans-106.3129.6177.6-57-98.4000110Y200 E213 P241 Y242 R243 E245Y200-F202 HydrophobicContact CD1-CD2 4.32Å; Y200-F202 HydrophobicContact CD1-CE1 4.3Å; Y200-F202 AromaticContact CD1-CE2 3.66Å; Y200-F202 HydrophobicContact CD1-CE2 3.66Å; Y200-F202 AromaticContact CD1-CZ 3.66Å; Y200-F202 HydrophobicContact CD1-CZ 3.66Å; Y200-F202 AromaticContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE1 3.95Å; Y200-F202 HydrophobicContact CE1-CE2 4.16Å; Y200-F202 AromaticContact CE1-CZ 3.72Å; Y200-F202 HydrophobicContact CE1-CZ 3.72Å; F202-E213 HydrophobicContact CD1-CG 3.76Å; F202-E213 HydrophobicContact CE1-CG 4.07Å; F202-E213 WeakPolarHBondContact CE1-OE1 3.11Å; F202-P241 CarbonylContact O-C 3.53Å; F202-P241 WeakPolarHBondContact O-CA 3.34Å; F202-P241 WeakPolarHBondContact O-CB 3.48Å; F202-Y242 VanDerWaalsContact C-CE1 3.49Å; F202-Y242 HydrophobicContact CB-CD1 4.38Å; F202-Y242 HydrophobicContact CB-CE1 3.71Å; F202-Y242 HydrophobicContact CB-CE2 4.03Å; F202-Y242 WeakPolarHBondContact O-CD1 3.14Å; F202-Y242 WeakPolarHBondContact O-CE1 3.34Å; F202-Y242 PolarHBondContact O-N 3.48Å; F202-R243 HydrophobicContact CB-CB 4.33Å; F202-R243 HydrophobicContact CD2-CB 4.02Å; F202-R243 HydrophobicContact CD2-CG 4.34Å; F202-R243 HydrophobicContact CG-CB 4.5Å; F202-R243 PolarHBondContact N-O 3.04Å; F202-E245 HydrophobicContact CE2-CB 4.45Å; F202-E245 HydrophobicContact CE2-CG 4.01Å; F202-E245 WeakPolarHBondContact CE2-OE1 3.14Å; F202-E245 WeakPolarHBondContact CZ-OE1 3.22Å
203F95.8Very high89.3Confident1 Ų163.4 Ų63.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-123.7148.3-173.6-64-101.1000111.4R211 W212 V217 Q230 F239 P241F203-R211 VanDerWaalsContact O-CA 3.24Å; F203-R211 WeakPolarHBondContact O-CA 3.23Å; F203-W212 HydrophobicContact CB-CD2 3.5Å; F203-W212 VanDerWaalsContact CB-CD2 3.5Å; F203-W212 HydrophobicContact CB-CE3 3.85Å; F203-W212 HydrophobicContact CB-CG 4.04Å; F203-W212 HydrophobicContact CB-CH2 3.83Å; F203-W212 HydrophobicContact CB-CZ2 3.47Å; F203-W212 VanDerWaalsContact CB-CZ2 3.47Å; F203-W212 HydrophobicContact CB-CZ3 4Å; F203-W212 AromaticContact CD1-CZ2 3.83Å; F203-W212 HydrophobicContact CD1-CZ2 3.83Å; F203-W212 AromaticContact CD2-CD1 3.97Å; F203-W212 AromaticContact CD2-NE1 3.65Å; F203-W212 HydrophobicContact CG-CD2 4.27Å; F203-W212 AromaticContact CG-CE2 3.61Å; F203-W212 AromaticContact CG-CZ2 3.8Å; F203-W212 HydrophobicContact CG-CZ2 3.8Å; F203-W212 AromaticContact CG-NE1 3.53Å; F203-W212 PolarHBondContact N-O 2.8Å; F203-W212 PolarHBondContact O-N 3.43Å; F203-V217 HydrophobicContact CE2-CG2 3.65Å; F203-V217 HydrophobicContact CZ-CG2 3.63Å; F203-Q230 HydrophobicContact CD1-CB 4.21Å; F203-Q230 HydrophobicContact CE1-CB 3.69Å; F203-Q230 HydrophobicContact CE1-CG 3.89Å; F203-Q230 HydrophobicContact CE2-CG 4.35Å; F203-Q230 HydrophobicContact CZ-CB 3.96Å; F203-Q230 HydrophobicContact CZ-CG 3.65Å; F203-F239 HydrophobicContact CD1-CB 4.34Å; F203-F239 WeakPolarHBondContact CE1-O 3.44Å; F203-P241 HydrophobicContact CD1-CB 4.11Å; F203-P241 HydrophobicContact CD2-CB 4.18Å; F203-P241 HydrophobicContact CE1-CB 3.89Å; F203-P241 VanDerWaalsContact CE1-CD 3.48Å; F203-P241 HydrophobicContact CE1-CG 4.2Å; F203-P241 VanDerWaalsContact CE1-N 3.29Å; F203-P241 HydrophobicContact CE2-CB 3.94Å; F203-P241 HydrophobicContact CG-CB 4.25Å; F203-P241 HydrophobicContact CZ-CB 3.79Å; F203-P241 HydrophobicContact CZ-CG 4.05Å
204H96.1Very high90.7Very high49 Ų4958.4 Ų58.423%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-140.1123.6175.1177-134.5000109.6N209 R211 Y242H204-N209 PolarHBondContact NE2-OD1 3.48Å; H204-R211 HydrophobicContact CB-CG 4.24Å; H204-Y242 HydrophobicContact CB-CD1 3.92Å; H204-Y242 HydrophobicContact CB-CE1 3.98Å
205C96.6Very high91.2Very high0 Ų054.5 Ų54.50%025%0.247CC..  trans-93.1107.5172.5178.80000109.1K207 C208 N209 I210 W212 C232 C235 F239C205-K207 VanDerWaalsContact C-N 3.3Å; C205-K207 PolarHBondContact O-N 3.29Å; C205-C208 HydrophobicContact CB-CB 4.34Å; C205-C208 PolarHBondContact O-N 3.41Å; C205-C208 PolarHBondContact SG-N 2.87Å; C205-C208 VanDerWaalsContact SG-N 3.45Å; C205-N209 WeakPolarHBondContact O-CA 3.44Å; C205-N209 PolarHBondContact O-N 3.25Å; C205-I210 PolarHBondContact N-O 3.23Å; C205-W212 HydrophobicContact CB-CH2 4.22Å; C205-W212 HydrophobicContact CB-CZ3 3.74Å; C205-C232 HydrophobicContact CB-CB 3.94Å; C205-C232 VanDerWaalsContact CB-SG 3.57Å; C205-C232 VanDerWaalsContact SG-SG 3.67Å; C205-C235 VanDerWaalsContact SG-SG 3.64Å; C205-F239 HydrophobicContact CB-CD2 4.42Å; C205-F239 HydrophobicContact CB-CE2 3.89Å; C205-F239 HydrophobicContact CB-CZ 3.98Å; C205-F239 VanDerWaalsContact SG-CE2 3.5Å; C205-F239 WeakPolarHBondContact SG-CZ 3.46Å
206K95.1Very high91.4Very high180 Ų18051 Ų5178%0.78323%0.232SC*.THydrogen-bonded Turntrans-57.4-40178.2-64.2-171.5177.9-173.10113.1
207K95.4Very high91.6Very high168 Ų16850.3 Ų50.373%0.7323%0.228SC*.THydrogen-bonded Turntrans-65-43.5-179.7-67.8-170.9178-1680113.7C205 C235C205-K207 VanDerWaalsContact C-N 3.3Å; C205-K207 PolarHBondContact O-N 3.29Å; K207-C235 WeakPolarHBondContact CB-SG 3.49Å
208C95.9Very high91.7Very high36 Ų3648.3 Ų48.324%0.24322%0.218CC..THydrogen-bonded Turntrans-102.1-0.2-174.1-77.30000113.2C205 I210 K234 C235C205-C208 HydrophobicContact CB-CB 4.34Å; C205-C208 PolarHBondContact O-N 3.41Å; C205-C208 PolarHBondContact SG-N 2.87Å; C205-C208 VanDerWaalsContact SG-N 3.45Å; C208-I210 HydrophobicContact CB-CD1 4.46Å; C208-I210 PolarHBondContact O-N 3.49Å; C208-K234 HydrophobicContact CB-CB 4.29Å; C208-K234 WeakPolarHBondContact SG-CB 3.46Å; C208-C235 HydrophobicContact CB-CB 4.32Å; C208-C235 WeakPolarHBondContact CB-SG 3.27Å; C208-C235 WeakPolarHBondContact SG-CB 3.2Å; C208-C235 PolarHBondContact SG-N 3.15Å; C208-C235 VanDerWaalsContact SG-N 3.41Å; C208-C235 CovalentContact SG-SG 2.05Å; C208-C235 PolarHBondContact SG-SG 2.92Å
209N95.9Very high91.8Very high104 Ų10445.7 Ų45.756%0.55621%0.206SC*.  trans4516.1-168.6-152.412.5000117.2H204 C205H204-N209 PolarHBondContact NE2-OD1 3.48Å; C205-N209 WeakPolarHBondContact O-CA 3.44Å; C205-N209 PolarHBondContact O-N 3.25Å
210I94.1Very high91.8Very high54 Ų5445 Ų4528%0.27721%0.205SC..  trans-80.4132.6178.5-70.4168000109.9C205 C208 W212 K234C205-I210 PolarHBondContact N-O 3.23Å; C208-I210 HydrophobicContact CB-CD1 4.46Å; C208-I210 PolarHBondContact O-N 3.49Å; I210-W212 HydrophobicContact CG2-CE3 4.16Å; I210-K234 HydrophobicContact CD1-CB 4.27Å; I210-K234 HydrophobicContact CD1-CD 3.57Å; I210-K234 HydrophobicContact CD1-CG 3.69Å
211R95.1Very high91.6Very high158 Ų15847.7 Ų47.760%0.59623%0.225SC*.EExtended strand (participates in β ladder)trans-101144.1166.1-64.6-179.4177.985.8-1.8109.9F203 H204F203-R211 VanDerWaalsContact O-CA 3.24Å; F203-R211 WeakPolarHBondContact O-CA 3.23Å; H204-R211 HydrophobicContact CB-CG 4.24Å
212W93.1Very high91.2Very high25 Ų2551.3 Ų51.310%0.09526%0.263CS..EExtended strand (participates in β ladder)trans-150.3160.5173.271.496.5000112.1F203 C205 I210 Q230 C232 F239 L276F203-W212 HydrophobicContact CB-CD2 3.5Å; F203-W212 VanDerWaalsContact CB-CD2 3.5Å; F203-W212 HydrophobicContact CB-CE3 3.85Å; F203-W212 HydrophobicContact CB-CG 4.04Å; F203-W212 HydrophobicContact CB-CH2 3.83Å; F203-W212 HydrophobicContact CB-CZ2 3.47Å; F203-W212 VanDerWaalsContact CB-CZ2 3.47Å; F203-W212 HydrophobicContact CB-CZ3 4Å; F203-W212 AromaticContact CD1-CZ2 3.83Å; F203-W212 HydrophobicContact CD1-CZ2 3.83Å; F203-W212 AromaticContact CD2-CD1 3.97Å; F203-W212 AromaticContact CD2-NE1 3.65Å; F203-W212 HydrophobicContact CG-CD2 4.27Å; F203-W212 AromaticContact CG-CE2 3.61Å; F203-W212 AromaticContact CG-CZ2 3.8Å; F203-W212 HydrophobicContact CG-CZ2 3.8Å; F203-W212 AromaticContact CG-NE1 3.53Å; F203-W212 PolarHBondContact N-O 2.8Å; F203-W212 PolarHBondContact O-N 3.43Å; C205-W212 HydrophobicContact CB-CH2 4.22Å; C205-W212 HydrophobicContact CB-CZ3 3.74Å; I210-W212 HydrophobicContact CG2-CE3 4.16Å; W212-Q230 HydrophobicContact CZ2-CB 4.4Å; W212-C232 HydrophobicContact CH2-CB 3.89Å; W212-C232 HydrophobicContact CZ3-CB 4.19Å; W212-F239 HydrophobicContact CH2-CB 4.22Å; W212-F239 AromaticContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CG 4.19Å; W212-F239 HydrophobicContact CZ2-CB 4.48Å; W212-L276 HydrophobicContact CG-CD1 4.43Å
213E91Very high90.9Very high80 Ų8052.4 Ų52.437%0.37427%0.272SS..EExtended strand (participates in β ladder)trans-125.7140.4-175.2-64.117316900110.5Y200 G201 F202 R273Y200-E213 HydrophobicContact CE1-CB 3.87Å; Y200-E213 HydrophobicContact CE1-CG 4.2Å; Y200-E213 PolarHBondContact OH-OE2 3.45Å; G201-E213 WeakPolarHBondContact O-CA 3.44Å; F202-E213 HydrophobicContact CD1-CG 3.76Å; F202-E213 HydrophobicContact CE1-CG 4.07Å; F202-E213 WeakPolarHBondContact CE1-OE1 3.11Å; E213-R273 PolarHBondContact O-NE 3.09Å; E213-R273 PolarHBondContact O-NH2 2.79Å
214S87.8Confident90.6Very high2 Ų256.1 Ų56.11%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-138.2120.8179.5-78.90000110.6G201 Y216 Q230 R273G201-S214 PolarHBondContact N-O 3.02Å; G201-S214 PolarHBondContact O-N 3.29Å; S214-Y216 PolarHBondContact O-N 3.46Å; S214-Q230 VanDerWaalsContact CB-NE2 3.26Å; S214-Q230 PolarHBondContact OG-NE2 3.29Å; S214-Q230 PolarHBondContact OG-OE1 3.48Å; S214-R273 WeakPolarHBondContact OG-CD 3.44Å
215A81.1Confident90.4Very high5 Ų560.7 Ų60.74%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-72.8-5.2-179.800000114.7Y200 I247Y200-A215 HydrophobicContact CD2-CB 3.71Å; Y200-A215 HydrophobicContact CE2-CB 3.76Å; A215-I247 WeakPolarHBondContact O-CD1 3.07Å
216Y81.4Confident90.2Very high13 Ų1361.9 Ų61.95%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-133.766.1-171.9-58.8-78.1000111Q198 S214 N267 M268 R270 H272Q198-Y216 VanDerWaalsContact OE1-CD1 3.31Å; S214-Y216 PolarHBondContact O-N 3.46Å; Y216-N267 PolarHBondContact OH-O 3Å; Y216-M268 VanDerWaalsContact OH-CA 3.25Å; Y216-M268 WeakPolarHBondContact OH-CA 3.02Å; Y216-M268 PolarHBondContact OH-O 2.81Å; Y216-R270 HydrophobicContact CE2-CB 3.75Å; Y216-R270 HydrophobicContact CE2-CG 4.03Å; Y216-R270 WeakPolarHBondContact CE2-O 3.36Å; Y216-R270 WeakPolarHBondContact OH-CA 3.49Å; Y216-R270 WeakPolarHBondContact OH-CB 3.4Å; Y216-R270 PolarHBondContact OH-N 2.85Å; Y216-R270 PolarHBondContact OH-O 3.1Å; Y216-H272 WeakPolarHBondContact CB-ND1 3.44Å; Y216-H272 HydrophobicContact CG-CB 4.44Å; Y216-H272 PolarHBondContact O-CE1 2.73Å; Y216-H272 VanDerWaalsContact O-CE1 3.25Å; Y216-H272 PolarHBondContact O-ND1 3.03Å
217V89.7Confident89.8Confident1 Ų156.8 Ų56.81%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-98.1121.4167.1-176.60000107.6R199 F203 V226 P241R199-V217 PolarHBondContact N-O 3.03Å; R199-V217 PolarHBondContact O-N 3.12Å; F203-V217 HydrophobicContact CE2-CG2 3.65Å; F203-V217 HydrophobicContact CZ-CG2 3.63Å; V217-V226 HydrophobicContact CG1-CB 4.11Å; V217-V226 HydrophobicContact CG1-CG1 3.46Å; V217-V226 VanDerWaalsContact CG1-CG1 3.46Å; V217-V226 HydrophobicContact CG1-CG2 3.48Å; V217-V226 VanDerWaalsContact CG1-CG2 3.48Å; V217-P241 HydrophobicContact CG1-CG 4.27Å
218W88.6Confident89.5Confident17 Ų1749.7 Ų49.76%0.06427%0.27CS..EExtended strand (participates in β ladder)trans-83.4122.6177.8-64.382.7000109.7L196 E197 Q198 V226 Y227 Y228 T290L196-W218 HydrophobicContact CB-CE3 3.67Å; L196-W218 HydrophobicContact CB-CZ3 4.27Å; E197-W218 CarbonylContact O-C 3.58Å; E197-W218 WeakPolarHBondContact O-CA 3.22Å; Q198-W218 HydrophobicContact CG-CD2 3.96Å; Q198-W218 HydrophobicContact CG-CE3 3.72Å; Q198-W218 HydrophobicContact CG-CH2 3.78Å; Q198-W218 HydrophobicContact CG-CZ2 3.92Å; Q198-W218 HydrophobicContact CG-CZ3 3.64Å; W218-V226 WeakPolarHBondContact O-CA 3.17Å; W218-Y227 WeakPolarHBondContact O-CB 3.11Å; W218-Y227 PolarHBondContact O-N 3.23Å; W218-Y228 HydrophobicContact CB-CE1 4.16Å; W218-Y228 AromaticContact CD1-CE1 3.45Å; W218-Y228 VanDerWaalsContact CD1-CE1 3.45Å; W218-Y228 AromaticContact CD1-CZ 3.44Å; W218-Y228 VanDerWaalsContact CD1-CZ 3.44Å; W218-Y228 HydrophobicContact CG-CE1 4.02Å; W218-Y228 PolarHBondContact NE1-OH 2.95Å; W218-T290 WeakPolarHBondContact CH2-O 3.34Å
219C90.3Very high89.3Confident0 Ų052.9 Ų52.90%028%0.279CS..EExtended strand (participates in β ladder)trans-109.9155.1175.2-58.20000109.7L196 E197 S221 K225L196-C219 CarbonylContact C-O 3.56Å; L196-C219 WeakPolarHBondContact CA-O 3.28Å; E197-C219 PolarHBondContact N-O 2.68Å; E197-C219 PolarHBondContact O-N 3.42Å; C219-S221 PolarHBondContact O-N 3.35Å; C219-K225 CarbonylContact C-O 3.4Å; C219-K225 VanDerWaalsContact CA-O 3.27Å; C219-K225 WeakPolarHBondContact CA-O 3.36Å
220I89Confident89.2Confident29 Ų2948 Ų4815%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-67.8124.9166.7-63.2166.4000107.4Q194 L196 S223 K225Q194-I220 HydrophobicContact CB-CG2 4.12Å; Q194-I220 HydrophobicContact CG-CG2 4.3Å; L196-I220 HydrophobicContact CD2-CG1 4.31Å; I220-S223 CarbonylContact O-C 3.52Å; I220-S223 WeakPolarHBondContact O-CA 3.33Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-S223 PolarHBondContact O-OG 2.83Å; I220-K225 HydrophobicContact CD1-CB 4.42Å; I220-K225 HydrophobicContact CD1-CD 3.99Å; I220-K225 HydrophobicContact CD1-CG 4.15Å; I220-K225 PolarHBondContact N-O 2.81Å
221S86.1Confident89.3Confident63 Ų6346.7 Ų46.744%0.44125%0.247SC..THydrogen-bonded Turntrans-51.5141.7-178.4-174.90000111.6F195 C219 S223F195-S221 WeakPolarHBondContact O-CB 3.36Å; F195-S221 PolarHBondContact O-N 2.73Å; C219-S221 PolarHBondContact O-N 3.35Å; S221-S223 PolarHBondContact O-N 3.17Å
222G83.3Confident89.2Confident77 Ų7739.1 Ų39.179%0.79422%0.218SC*.THydrogen-bonded Turntrans73.32.8-171.900000114.8
223S87.8Confident89.2Confident39 Ų3944.9 Ų44.927%0.27324%0.24SC..SBendtrans-139.6166-179.985.50000113.4R199 I220 S221 K225R199-S223 PolarHBondContact NH1-O 2.83Å; I220-S223 CarbonylContact O-C 3.52Å; I220-S223 WeakPolarHBondContact O-CA 3.33Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.47Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-S223 PolarHBondContact O-OG 2.83Å; S221-S223 PolarHBondContact O-N 3.17Å; S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.28Å; S223-K225 VanDerWaalsContact OG-N 3.12Å
224S90.2Very high89.4Confident78 Ų7848.7 Ų48.755%0.54526%0.255SS..  trans-92.911.2169.5-63.90000113.1V226 V244S224-V226 PolarHBondContact O-N 3.37Å; S224-V244 VanDerWaalsContact CB-CG2 3.5Å; S224-V244 WeakPolarHBondContact OG-CG2 3.38Å
225K91.4Very high89.7Confident146 Ų14650.4 Ų50.464%0.63527%0.267SS*.  trans-80.4113.2-177.3-177.4170.9172.8-178.30110.5C219 I220 S223C219-K225 CarbonylContact C-O 3.4Å; C219-K225 VanDerWaalsContact CA-O 3.27Å; C219-K225 WeakPolarHBondContact CA-O 3.36Å; I220-K225 HydrophobicContact CD1-CB 4.42Å; I220-K225 HydrophobicContact CD1-CD 3.99Å; I220-K225 HydrophobicContact CD1-CG 4.15Å; I220-K225 PolarHBondContact N-O 2.81Å; S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 WeakPolarHBondContact OG-CB 3.43Å; S223-K225 PolarHBondContact OG-N 3.28Å; S223-K225 VanDerWaalsContact OG-N 3.12Å
226V91.4Very high90.3Very high24 Ų2454.4 Ų54.415%0.14528%0.284CS..BIsolated β-bridgetrans-75.1139.4-177.9175.30000112.3V217 W218 S224 Y228 P241 V244V217-V226 HydrophobicContact CG1-CB 4.11Å; V217-V226 HydrophobicContact CG1-CG1 3.46Å; V217-V226 VanDerWaalsContact CG1-CG1 3.46Å; V217-V226 HydrophobicContact CG1-CG2 3.48Å; V217-V226 VanDerWaalsContact CG1-CG2 3.48Å; W218-V226 WeakPolarHBondContact O-CA 3.17Å; S224-V226 PolarHBondContact O-N 3.37Å; V226-Y228 WeakPolarHBondContact CG1-O 3.4Å; V226-P241 HydrophobicContact CG2-CG 3.55Å; V226-V244 HydrophobicContact CG2-CG1 4.3Å
227Y87.8Confident90.9Very high74 Ų7456.6 Ų56.629%0.2930%0.299SS..SBendtrans-80.7-35.3-176.8-170.6-122000113.9L196 W218 K294L196-Y227 HydrophobicContact CD1-CD1 3.55Å; L196-Y227 HydrophobicContact CD1-CE1 4.04Å; L196-Y227 HydrophobicContact CD1-CG 3.91Å; L196-Y227 HydrophobicContact CD2-CD1 4.29Å; L196-Y227 HydrophobicContact CD2-CD2 4.09Å; L196-Y227 HydrophobicContact CD2-CG 3.76Å; W218-Y227 WeakPolarHBondContact O-CB 3.11Å; W218-Y227 PolarHBondContact O-N 3.23Å; Y227-K294 HydrophobicContact CE2-CD 3.52Å; Y227-K294 WeakPolarHBondContact OH-CD 3.32Å; Y227-K294 WeakPolarHBondContact OH-CE 3.38Å; Y227-K294 PolarHBondContact OH-NZ 3.41Å; Y227-K294 VanDerWaalsContact OH-NZ 3.09Å
228Y88.8Confident91.1Very high19 Ų1957.7 Ų57.78%0.07531%0.311CS..SBendtrans-145.1144.2175.559-104.7000112.6W218 V226 H272 C277 R279 C287W218-Y228 HydrophobicContact CB-CE1 4.16Å; W218-Y228 AromaticContact CD1-CE1 3.45Å; W218-Y228 VanDerWaalsContact CD1-CE1 3.45Å; W218-Y228 AromaticContact CD1-CZ 3.44Å; W218-Y228 VanDerWaalsContact CD1-CZ 3.44Å; W218-Y228 HydrophobicContact CG-CE1 4.02Å; W218-Y228 PolarHBondContact NE1-OH 2.95Å; V226-Y228 WeakPolarHBondContact CG1-O 3.4Å; Y228-H272 AromaticContact CE2-CE1 3.64Å; Y228-H272 AromaticContact CE2-NE2 3.76Å; Y228-H272 AromaticContact CZ-CE1 3.8Å; Y228-H272 AromaticContact CZ-NE2 3.9Å; Y228-H272 PolarHBondContact OH-CE1 3.34Å; Y228-H272 PolarHBondContact OH-NE2 3.01Å; Y228-H272 VanDerWaalsContact OH-NE2 3.15Å; Y228-C277 HydrophobicContact CE2-CB 4.47Å; Y228-C277 WeakPolarHBondContact CE2-SG 3.25Å; Y228-R279 HydrophobicContact CD1-CB 4.2Å; Y228-R279 HydrophobicContact CD2-CB 4.4Å; Y228-R279 HydrophobicContact CG-CB 4.05Å; Y228-C287 VanDerWaalsContact OH-CB 3.22Å; Y228-C287 WeakPolarHBondContact OH-CB 3.44Å
229K92.8Very high91.4Very high102 Ų10258.9 Ų58.944%0.44332%0.316SS..  trans-72164-178-72.6171.6-178.3-179.80112.5F239 N240 C278K229-F239 WeakPolarHBondContact CA-O 3.45Å; K229-F239 WeakPolarHBondContact CB-O 3.45Å; K229-N240 WeakPolarHBondContact CG-OD1 3.38Å; K229-C278 HydrophobicContact CB-CB 4.32Å; K229-C278 VanDerWaalsContact CB-SG 3.57Å; K229-C278 VanDerWaalsContact O-CB 3.28Å; K229-C278 WeakPolarHBondContact O-CB 3.44Å; K229-C278 PolarHBondContact O-N 3.47Å; K229-C278 VanDerWaalsContact O-N 3.12Å; K229-C278 PolarHBondContact O-SG 2.99Å
230Q93.7Very high91.6Very high1 Ų163.3 Ų63.31%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-115.6136.6165.8-64.2-166.90.400111.7F203 W212 S214 G238 F239 L276F203-Q230 HydrophobicContact CD1-CB 4.21Å; F203-Q230 HydrophobicContact CE1-CB 3.69Å; F203-Q230 HydrophobicContact CE1-CG 3.89Å; F203-Q230 HydrophobicContact CE2-CG 4.35Å; F203-Q230 HydrophobicContact CZ-CB 3.96Å; F203-Q230 HydrophobicContact CZ-CG 3.65Å; W212-Q230 HydrophobicContact CZ2-CB 4.4Å; S214-Q230 VanDerWaalsContact CB-NE2 3.26Å; S214-Q230 PolarHBondContact OG-NE2 3.29Å; S214-Q230 PolarHBondContact OG-OE1 3.48Å; Q230-G238 WeakPolarHBondContact O-CA 3.16Å; Q230-F239 PolarHBondContact N-O 3.02Å; Q230-F239 PolarHBondContact O-N 3.35Å; Q230-L276 CarbonylContact C-O 3.56Å; Q230-L276 WeakPolarHBondContact CA-O 3.5Å; Q230-L276 HydrophobicContact CB-CB 4.32Å
231L94.4Very high91.9Very high27 Ų2762.9 Ų62.914%0.14134%0.339CS..EExtended strand (participates in β ladder)trans-74.8138.4177.1-56.4-178.3000110.8V237 L276 C278 K281L231-V237 WeakPolarHBondContact CA-O 3.22Å; L231-L276 PolarHBondContact N-O 2.81Å; L231-C278 WeakPolarHBondContact CD2-SG 3.43Å; L231-K281 HydrophobicContact CD1-CD 3.54Å
232C94.4Very high92.3Very high0 Ų066 Ų660%034%0.343CS..  trans-69.3133.2166.1178.80000110.5C205 W212 K234 C235 Q236 V237 F239C205-C232 HydrophobicContact CB-CB 3.94Å; C205-C232 VanDerWaalsContact CB-SG 3.57Å; C205-C232 VanDerWaalsContact SG-SG 3.67Å; W212-C232 HydrophobicContact CH2-CB 3.89Å; W212-C232 HydrophobicContact CZ3-CB 4.19Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 2.83Å; C232-C235 HydrophobicContact CB-CB 3.96Å; C232-Q236 VanDerWaalsContact O-CA 3.29Å; C232-Q236 WeakPolarHBondContact O-CA 3.45Å; C232-Q236 PolarHBondContact O-N 2.67Å; C232-V237 PolarHBondContact N-O 3.15Å; C232-F239 HydrophobicContact CB-CD2 4.12Å; C232-F239 HydrophobicContact CB-CE2 3.83Å
233R92.6Very high92.8Very high146 Ų14668 Ų6855%0.55133%0.326SS*.THydrogen-bonded Turntrans-54.3-42.5179.5-76.9-176.2170.1-174.3-6.2114.4Q236 D275 L276R233-Q236 PolarHBondContact O-NE2 3.09Å; R233-D275 IonicContact CZ-OD2 3.35Å; R233-D275 IonicContact NE-OD2 3.18Å; R233-D275 PolarHBondContact NE-OD2 3.2Å; R233-D275 IonicContact NH2-OD2 2.7Å; R233-D275 PolarHBondContact NH2-OD2 3.05Å; R233-L276 HydrophobicContact CG-CD1 4.4Å; R233-L276 HydrophobicContact CG-CD2 3.32Å; R233-L276 HydrophobicContact CG-CG 4.48Å
234K94.3Very high93.1Very high160 Ų16067.4 Ų67.470%0.69632%0.321SS*.THydrogen-bonded Turntrans-83.3-56.1177.6-72.1-168.2-178.7-177.60111.6C208 I210 C232 Q236C208-K234 HydrophobicContact CB-CB 4.29Å; C208-K234 WeakPolarHBondContact SG-CB 3.46Å; I210-K234 HydrophobicContact CD1-CB 4.27Å; I210-K234 HydrophobicContact CD1-CD 3.57Å; I210-K234 HydrophobicContact CD1-CG 3.69Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 2.83Å; K234-Q236 PolarHBondContact O-N 3.47Å
235C94.3Very high93.2Very high38 Ų3866.4 Ų66.426%0.25731%0.307SS..THydrogen-bonded Turntrans-78.3-15.2-169.3-80.90000114.5C205 K207 C208 C232 V237C205-C235 VanDerWaalsContact SG-SG 3.64Å; K207-C235 WeakPolarHBondContact CB-SG 3.49Å; C208-C235 HydrophobicContact CB-CB 4.32Å; C208-C235 WeakPolarHBondContact CB-SG 3.27Å; C208-C235 WeakPolarHBondContact SG-CB 3.2Å; C208-C235 PolarHBondContact SG-N 3.15Å; C208-C235 VanDerWaalsContact SG-N 3.41Å; C208-C235 CovalentContact SG-SG 2.05Å; C208-C235 PolarHBondContact SG-SG 2.92Å; C232-C235 HydrophobicContact CB-CB 3.96Å; C235-V237 PolarHBondContact O-N 3.43Å
236Q93.6Very high93Very high88 Ų8862.2 Ų62.241%0.41130%0.296SS..  trans50.315.1-175.8-60.8-63.3-37.600116.2C232 R233 K234C232-Q236 VanDerWaalsContact O-CA 3.29Å; C232-Q236 WeakPolarHBondContact O-CA 3.45Å; C232-Q236 PolarHBondContact O-N 2.67Å; R233-Q236 PolarHBondContact O-NE2 3.09Å; K234-Q236 PolarHBondContact O-N 3.47Å
237V94.1Very high92.8Very high59 Ų5961.6 Ų61.636%0.35829%0.292SS..  trans-85.9140.4170.8173.60000109.7L231 C232 C235 F239L231-V237 WeakPolarHBondContact CA-O 3.22Å; C232-V237 PolarHBondContact N-O 3.15Å; C235-V237 PolarHBondContact O-N 3.43Å; V237-F239 HydrophobicContact CB-CE2 3.75Å; V237-F239 HydrophobicContact CB-CZ 4.13Å; V237-F239 HydrophobicContact CG1-CD2 4.47Å; V237-F239 HydrophobicContact CG1-CE2 3.81Å; V237-F239 HydrophobicContact CG1-CZ 3.89Å; V237-F239 WeakPolarHBondContact O-CD2 3.34Å; V237-F239 VanDerWaalsContact O-CE2 3.24Å; V237-F239 WeakPolarHBondContact O-CE2 3.34Å
238G94.5Very high92.8Very high25 Ų2560 Ų6026%0.25829%0.29SS..EExtended strand (participates in β ladder)trans-81124.5176.500000113.6Q230Q230-G238 WeakPolarHBondContact O-CA 3.16Å
239F95.1Very high92.7Very high41 Ų4159.3 Ų59.318%0.1829%0.288CS..EExtended strand (participates in β ladder)trans-112.8146.9177.6-66.1-90.2000111.2F203 C205 W212 K229 Q230 C232 V237F203-F239 HydrophobicContact CD1-CB 4.34Å; F203-F239 WeakPolarHBondContact CE1-O 3.44Å; C205-F239 HydrophobicContact CB-CD2 4.42Å; C205-F239 HydrophobicContact CB-CE2 3.89Å; C205-F239 HydrophobicContact CB-CZ 3.98Å; C205-F239 VanDerWaalsContact SG-CE2 3.5Å; C205-F239 WeakPolarHBondContact SG-CZ 3.46Å; W212-F239 HydrophobicContact CH2-CB 4.22Å; W212-F239 AromaticContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CD2 3.8Å; W212-F239 HydrophobicContact CH2-CG 4.19Å; W212-F239 HydrophobicContact CZ2-CB 4.48Å; K229-F239 WeakPolarHBondContact CA-O 3.45Å; K229-F239 WeakPolarHBondContact CB-O 3.45Å; Q230-F239 PolarHBondContact N-O 3.02Å; Q230-F239 PolarHBondContact O-N 3.35Å; C232-F239 HydrophobicContact CB-CD2 4.12Å; C232-F239 HydrophobicContact CB-CE2 3.83Å; V237-F239 HydrophobicContact CB-CE2 3.75Å; V237-F239 HydrophobicContact CB-CZ 4.13Å; V237-F239 HydrophobicContact CG1-CD2 4.47Å; V237-F239 HydrophobicContact CG1-CE2 3.81Å; V237-F239 HydrophobicContact CG1-CZ 3.89Å; V237-F239 WeakPolarHBondContact O-CD2 3.34Å; V237-F239 VanDerWaalsContact O-CE2 3.24Å; V237-F239 WeakPolarHBondContact O-CE2 3.34Å
240N94.6Very high92.2Very high93 Ų9361.1 Ų61.150%0.49730%0.296SS..  trans-78.9152.6157.4-68.4-24.8000108.3K229K229-N240 WeakPolarHBondContact CG-OD1 3.38Å
241P95.2Very high91.9Very high20 Ų2064.5 Ų64.513%0.1333%0.331CS..  trans-65.9150167.131.6-35.3000109.9F202 F203 V217 V226 V244F202-P241 CarbonylContact O-C 3.53Å; F202-P241 WeakPolarHBondContact O-CA 3.34Å; F202-P241 WeakPolarHBondContact O-CB 3.48Å; F203-P241 HydrophobicContact CD1-CB 4.11Å; F203-P241 HydrophobicContact CD2-CB 4.18Å; F203-P241 HydrophobicContact CE1-CB 3.89Å; F203-P241 VanDerWaalsContact CE1-CD 3.48Å; F203-P241 HydrophobicContact CE1-CG 4.2Å; F203-P241 VanDerWaalsContact CE1-N 3.29Å; F203-P241 HydrophobicContact CE2-CB 3.94Å; F203-P241 HydrophobicContact CG-CB 4.25Å; F203-P241 HydrophobicContact CZ-CB 3.79Å; F203-P241 HydrophobicContact CZ-CG 4.05Å; V217-P241 HydrophobicContact CG1-CG 4.27Å; V226-P241 HydrophobicContact CG2-CG 3.55Å; P241-V244 HydrophobicContact CB-CG1 4.08Å; P241-V244 HydrophobicContact CG-CG1 3.51Å
242Y95.2Very high91.6Very high130 Ų13065.2 Ų65.251%0.5134%0.338SS..SBendtrans-88.2-19.8174.466.3-95.4000112.3F202 H204F202-Y242 VanDerWaalsContact C-CE1 3.49Å; F202-Y242 HydrophobicContact CB-CD1 4.38Å; F202-Y242 HydrophobicContact CB-CE1 3.71Å; F202-Y242 HydrophobicContact CB-CE2 4.03Å; F202-Y242 WeakPolarHBondContact O-CD1 3.14Å; F202-Y242 WeakPolarHBondContact O-CE1 3.34Å; F202-Y242 PolarHBondContact O-N 3.48Å; H204-Y242 HydrophobicContact CB-CD1 3.92Å; H204-Y242 HydrophobicContact CB-CE1 3.98Å
243R93.8Very high91.2Very high117 Ų11769.6 Ų69.644%0.44237%0.368SS..EExtended strand (participates in β ladder)trans-140.8141.4173.2-168.4170.376.6-1402.6109.5F202 E245F202-R243 HydrophobicContact CB-CB 4.33Å; F202-R243 HydrophobicContact CD2-CB 4.02Å; F202-R243 HydrophobicContact CD2-CG 4.34Å; F202-R243 HydrophobicContact CG-CB 4.5Å; F202-R243 PolarHBondContact N-O 3.04Å; R243-E245 IonicContact CZ-OE1 3.26Å; R243-E245 VanDerWaalsContact CZ-OE1 3.26Å; R243-E245 IonicContact NE-OE1 2.73Å; R243-E245 PolarHBondContact NE-OE1 3.1Å; R243-E245 IonicContact NH2-OE1 2.99Å; R243-E245 PolarHBondContact NH2-OE1 2.85Å
244V92.7Very high90.8Very high27 Ų2768.4 Ų68.416%0.16437%0.369CS..EExtended strand (participates in β ladder)trans-128.3140.8170.6-66.30000110R199 Y200 S224 V226 P241R199-V244 HydrophobicContact CB-CB 4.41Å; Y200-V244 CarbonylContact O-C 3.45Å; Y200-V244 VanDerWaalsContact O-CA 3.23Å; Y200-V244 WeakPolarHBondContact O-CA 3.32Å; S224-V244 VanDerWaalsContact CB-CG2 3.5Å; S224-V244 WeakPolarHBondContact OG-CG2 3.38Å; V226-V244 HydrophobicContact CG2-CG1 4.3Å; P241-V244 HydrophobicContact CB-CG1 4.08Å; P241-V244 HydrophobicContact CG-CG1 3.51Å
245E92.1Very high90.2Very high58 Ų5864.4 Ų64.427%0.27136%0.358SS..EExtended strand (participates in β ladder)trans-130.7151-178.3-71.3169.2-145.800109.2R199 Y200 F202 R243R199-E245 WeakPolarHBondContact CB-O 3.44Å; Y200-E245 PolarHBondContact N-O 3.47Å; Y200-E245 PolarHBondContact O-N 3.06Å; F202-E245 HydrophobicContact CE2-CB 4.45Å; F202-E245 HydrophobicContact CE2-CG 4.01Å; F202-E245 WeakPolarHBondContact CE2-OE1 3.14Å; F202-E245 WeakPolarHBondContact CZ-OE1 3.22Å; R243-E245 IonicContact CZ-OE1 3.26Å; R243-E245 VanDerWaalsContact CZ-OE1 3.26Å; R243-E245 IonicContact NE-OE1 2.73Å; R243-E245 PolarHBondContact NE-OE1 3.1Å; R243-E245 IonicContact NH2-OE1 2.99Å; R243-E245 PolarHBondContact NH2-OE1 2.85Å
246S88.5Confident89.6Confident57 Ų5767.5 Ų67.540%0.39938%0.379SS..EExtended strand (participates in β ladder)trans-69.7150.2174.250.40000111.4V248S246-V248 PolarHBondContact O-N 3.04Å; S246-V248 WeakPolarHBondContact OG-CG2 3.45Å
247I87.2Confident89.2Confident11 Ų1163.9 Ų63.96%0.05636%0.363CS..SBendtrans-84.865.4-178.8-51.7177.9000109Q198 A215 T255 H265 M268Q198-I247 HydrophobicContact CB-CD1 3.76Å; Q198-I247 WeakPolarHBondContact O-CD1 3.29Å; A215-I247 WeakPolarHBondContact O-CD1 3.07Å; I247-T255 WeakPolarHBondContact O-CA 3.44Å; I247-T255 WeakPolarHBondContact O-CG2 3.28Å; I247-H265 VanDerWaalsContact CG2-O 3.22Å; I247-H265 WeakPolarHBondContact CG2-O 3.22Å; I247-M268 HydrophobicContact CG2-CG 4.24Å
248V86.8Confident88.7Confident41 Ų4166.8 Ų66.825%0.24839%0.386CS..  trans-120.1147.3-175.6-64.70000112.1S246 S253 T255 H265S246-V248 PolarHBondContact O-N 3.04Å; S246-V248 WeakPolarHBondContact OG-CG2 3.45Å; V248-S253 WeakPolarHBondContact CB-O 3.49Å; V248-S253 WeakPolarHBondContact CG1-O 2.94Å; V248-T255 HydrophobicContact CG1-CG2 4.15Å; V248-H265 PolarHBondContact O-CE1 3.24Å; V248-H265 PolarHBondContact O-NE2 3.47Å
249C86.1Confident88.3Confident4 Ų467.5 Ų67.53%0.02739%0.387CS..  trans-69.9127.6172.8179.60000111.4G251 C252 S253 Q254 C257 I266C249-G251 PolarHBondContact O-N 3.19Å; C249-G251 PolarHBondContact SG-N 2.79Å; C249-G251 VanDerWaalsContact SG-N 3.41Å; C249-C252 PolarHBondContact O-N 3.31Å; C249-S253 WeakPolarHBondContact O-CA 3.25Å; C249-S253 PolarHBondContact O-N 2.87Å; C249-Q254 WeakPolarHBondContact CB-O 3.26Å; C249-Q254 PolarHBondContact N-O 3.05Å; C249-C257 HydrophobicContact CB-CB 3.98Å; C249-C257 VanDerWaalsContact CB-SG 3.59Å; C249-I266 HydrophobicContact CB-CD1 3.74Å; C249-I266 HydrophobicContact CB-CG1 4.02Å
250K84.1Confident87.7Confident141 Ų14174.5 Ų74.561%0.61342%0.42SS*.THydrogen-bonded Turntrans-63.7-24.1176.6-67.5-172-176.1166.50114.6Q263K250-Q263 VanDerWaalsContact CE-OE1 3.31Å
251G86Confident87.1Confident72 Ų7279.3 Ų79.374%0.74244%0.436SS*.THydrogen-bonded Turntrans-82.4-33.4-179.100000114.4C249C249-G251 PolarHBondContact O-N 3.19Å; C249-G251 PolarHBondContact SG-N 2.79Å; C249-G251 VanDerWaalsContact SG-N 3.41Å
252C88.1Confident86.1Confident42 Ų4284 Ų8428%0.28446%0.455SS..THydrogen-bonded Turntrans-135.69.1-173.467.90000114.9C249 Q254 C257C249-C252 PolarHBondContact O-N 3.31Å; C252-Q254 PolarHBondContact O-N 3.49Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å
253S86.1Confident84.9Confident92 Ų9282.6 Ų82.664%0.64345%0.453SS*.  trans54.71.8-176.769.20000117.8V248 C249V248-S253 WeakPolarHBondContact CB-O 3.49Å; V248-S253 WeakPolarHBondContact CG1-O 2.94Å; C249-S253 WeakPolarHBondContact O-CA 3.25Å; C249-S253 PolarHBondContact O-N 2.87Å
254Q85.3Confident83.8Confident121 Ų12187.4 Ų87.457%0.56547%0.471SS*.  trans-84.3148179.5-64.6-178.617.400113.2C249 C252C249-Q254 WeakPolarHBondContact CB-O 3.26Å; C249-Q254 PolarHBondContact N-O 3.05Å; C252-Q254 PolarHBondContact O-N 3.49Å
255T80.5Confident82.8Confident75 Ų7586.8 Ų86.846%0.4647%0.466SS..SBendtrans-74.7-31.617657.40000112.6I247 V248I247-T255 WeakPolarHBondContact O-CA 3.44Å; I247-T255 WeakPolarHBondContact O-CG2 3.28Å; V248-T255 HydrophobicContact CG1-CG2 4.15Å
256C82.1Confident82.1Confident104 Ų10484.6 Ų84.670%0.70346%0.457SS*.SBendtrans-119.297.9174.3-171.10000109.3
257C84.6Confident81.4Confident12 Ų1286.3 Ų86.38%0.08146%0.461CS..  trans-116.2149.5-177.675.20000113.4C249 C252 K262C249-C257 HydrophobicContact CB-CB 3.98Å; C249-C257 VanDerWaalsContact CB-SG 3.59Å; C252-C257 WeakPolarHBondContact SG-CB 3.49Å; C257-K262 WeakPolarHBondContact O-CE 3.2Å; C257-K262 PolarHBondContact O-NZ 3.48Å
258S83.4Confident80.7Confident119 Ų11990.3 Ų90.383%0.83248%0.481SS*.  trans-84.9-8.5170.449.60000113.9E260S258-E260 PolarHBondContact O-N 2.81Å
259C86.4Confident80Confident41 Ų4197.9 Ų97.928%0.27751%0.51SS..  trans-49.4136.8-178-51.90000113.2K262C259-K262 WeakPolarHBondContact O-CE 3.41Å; C259-K262 WeakPolarHBondContact O-CG 3.47Å
260E83.3Confident79.4Confident188 Ų188102.3 Ų102.388%0.87953%0.526SS*.SBendtrans-64.9-48.4-178.3-60.5171.5174.500112.3S258 K262S258-E260 PolarHBondContact O-N 2.81Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.19Å
261K81.3Confident79Confident193 Ų193100 Ų10084%0.83953%0.526SS*.SBendtrans-8269.4-177.3-65.9-179.9-177.8173.50111.9Q263K261-Q263 PolarHBondContact O-N 3.16Å
262K73.6Confident78.7Confident120 Ų12097 Ų9752%0.52249%0.493SS..  trans-74.3105.6177.2-59.6-172.5178-176.20111.5C257 C259 E260 I266C257-K262 WeakPolarHBondContact O-CE 3.2Å; C257-K262 PolarHBondContact O-NZ 3.48Å; C259-K262 WeakPolarHBondContact O-CE 3.41Å; C259-K262 WeakPolarHBondContact O-CG 3.47Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.19Å; K262-I266 HydrophobicContact CB-CB 4.4Å; K262-I266 HydrophobicContact CB-CD1 4.24Å; K262-I266 HydrophobicContact CB-CG2 4.35Å; K262-I266 HydrophobicContact CD-CG2 4.14Å; K262-I266 HydrophobicContact CG-CG2 4.25Å
263Q71.3Confident78.5Confident100 Ų10098 Ų9847%0.46749%0.491SS..  trans-62.7160.6169-68.7-151.9-5.100112.7K250 K261 H265 I266K250-Q263 VanDerWaalsContact CE-OE1 3.31Å; K261-Q263 PolarHBondContact O-N 3.16Å; Q263-H265 PolarHBondContact O-N 3.17Å; Q263-I266 HydrophobicContact CB-CD1 4.48Å; Q263-I266 PolarHBondContact O-N 3.43Å; Q263-I266 VanDerWaalsContact O-N 3.09Å
264R70.1Confident78.5Confident217 Ų21798.1 Ų98.182%0.81948%0.48SS*.THydrogen-bonded Turntrans-54.2-14.5-169.4-62.9-178.9-175.9-100.6-0.1116.4
265H72.8Confident78.6Confident14 Ų1495.7 Ų95.77%0.06547%0.47CS..THydrogen-bonded Turntrans-95.3-11.8-179.661.5168000116.3Y200 I247 V248 Q263 N267Y200-H265 HydrophobicContact CD2-CB 3.44Å; Y200-H265 VanDerWaalsContact CD2-CB 3.44Å; Y200-H265 HydrophobicContact CE2-CB 3.69Å; Y200-H265 HydrophobicContact CG-CB 4.06Å; I247-H265 VanDerWaalsContact CG2-O 3.22Å; I247-H265 WeakPolarHBondContact CG2-O 3.22Å; V248-H265 PolarHBondContact O-CE1 3.24Å; V248-H265 PolarHBondContact O-NE2 3.47Å; Q263-H265 PolarHBondContact O-N 3.17Å; H265-N267 PolarHBondContact O-N 3.35Å
266I76.4Confident79Confident13 Ų1392.3 Ų92.37%0.06745%0.45CS..  trans-81.6-12-168.9-70.7157.6000114.6C249 K262 Q263 M268C249-I266 HydrophobicContact CB-CD1 3.74Å; C249-I266 HydrophobicContact CB-CG1 4.02Å; K262-I266 HydrophobicContact CB-CB 4.4Å; K262-I266 HydrophobicContact CB-CD1 4.24Å; K262-I266 HydrophobicContact CB-CG2 4.35Å; K262-I266 HydrophobicContact CD-CG2 4.14Å; K262-I266 HydrophobicContact CG-CG2 4.25Å; Q263-I266 HydrophobicContact CB-CD1 4.48Å; Q263-I266 PolarHBondContact O-N 3.43Å; Q263-I266 VanDerWaalsContact O-N 3.09Å; I266-M268 PolarHBondContact O-N 2.98Å; I266-M268 VanDerWaalsContact O-N 3.09Å
267N73.1Confident79.4Confident93 Ų9387.4 Ų87.450%0.49742%0.416SS..  trans-82.694.9-174.6-170.9-12.3000112Y216 H265 K269 R270Y216-N267 PolarHBondContact OH-O 3Å; H265-N267 PolarHBondContact O-N 3.35Å; N267-K269 VanDerWaalsContact C-N 3.3Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 WeakPolarHBondContact OD1-CA 3.16Å; N267-K269 WeakPolarHBondContact OD1-CB 3.44Å; N267-K269 PolarHBondContact OD1-N 3.44Å; N267-R270 HydrophobicContact CB-CB 4.34Å; N267-R270 WeakPolarHBondContact O-CB 3.05Å; N267-R270 PolarHBondContact O-N 2.91Å; N267-R270 PolarHBondContact OD1-N 3.01Å
268M73.9Confident79.6Confident94 Ų9489.6 Ų89.646%0.46343%0.431SS..THydrogen-bonded Turntrans-69.6-16.4172.4-68.9-167.57700114.7Y216 I247 I266Y216-M268 VanDerWaalsContact OH-CA 3.25Å; Y216-M268 WeakPolarHBondContact OH-CA 3.02Å; Y216-M268 PolarHBondContact OH-O 2.81Å; I247-M268 HydrophobicContact CG2-CG 4.24Å; I266-M268 PolarHBondContact O-N 2.98Å; I266-M268 VanDerWaalsContact O-N 3.09Å
269K71.6Confident79.7Confident201 Ų20188.7 Ų88.787%0.87441%0.409SS*.THydrogen-bonded Turntrans-86.7-4.7176-64.2-173.4177.9-1760113.8N267N267-K269 VanDerWaalsContact C-N 3.3Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 WeakPolarHBondContact OD1-CA 3.16Å; N267-K269 WeakPolarHBondContact OD1-CB 3.44Å; N267-K269 PolarHBondContact OD1-N 3.44Å
270R74.3Confident79.7Confident96 Ų9687.1 Ų87.136%0.36240%0.399SS..SBendtrans-63.1142.3177177.6-178.4-172.2159.86.6108.9Y216 N267Y216-R270 HydrophobicContact CE2-CB 3.75Å; Y216-R270 HydrophobicContact CE2-CG 4.03Å; Y216-R270 WeakPolarHBondContact CE2-O 3.36Å; Y216-R270 WeakPolarHBondContact OH-CA 3.49Å; Y216-R270 WeakPolarHBondContact OH-CB 3.4Å; Y216-R270 PolarHBondContact OH-N 2.85Å; Y216-R270 PolarHBondContact OH-O 3.1Å; N267-R270 HydrophobicContact CB-CB 4.34Å; N267-R270 WeakPolarHBondContact O-CB 3.05Å; N267-R270 PolarHBondContact O-N 2.91Å; N267-R270 PolarHBondContact OD1-N 3.01Å
271P74.3Confident79.9Confident94 Ų9482.7 Ų82.761%0.6138%0.377SS*.PPolyproline II helixtrans-70.1147.417725.9-33.8000111.5
272H79.9Confident80Confident9 Ų977.7 Ų77.74%0.04238%0.38CS..PPolyproline II helixtrans-58.2144.6164.6177.667.4000110.5Y216 Y228 K274 C277 D288Y216-H272 WeakPolarHBondContact CB-ND1 3.44Å; Y216-H272 HydrophobicContact CG-CB 4.44Å; Y216-H272 PolarHBondContact O-CE1 2.73Å; Y216-H272 VanDerWaalsContact O-CE1 3.25Å; Y216-H272 PolarHBondContact O-ND1 3.03Å; Y228-H272 AromaticContact CE2-CE1 3.64Å; Y228-H272 AromaticContact CE2-NE2 3.76Å; Y228-H272 AromaticContact CZ-CE1 3.8Å; Y228-H272 AromaticContact CZ-NE2 3.9Å; Y228-H272 PolarHBondContact OH-CE1 3.34Å; Y228-H272 PolarHBondContact OH-NE2 3.01Å; Y228-H272 VanDerWaalsContact OH-NE2 3.15Å; H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.25Å; H272-C277 VanDerWaalsContact NE2-CB 3.25Å; H272-C277 WeakPolarHBondContact NE2-CB 3.49Å; H272-C277 PolarHBondContact NE2-SG 3.46Å; H272-D288 VanDerWaalsContact CB-OD1 3.26Å; H272-D288 WeakPolarHBondContact CB-OD1 3.18Å
273R83.8Confident80.4Confident63 Ų6377.5 Ų77.524%0.23838%0.383CS..  trans-74.975.4177.4-71-156.7-163.7-121.410.4111.7E213 S214 D275 L276 C277E213-R273 PolarHBondContact O-NE 3.09Å; E213-R273 PolarHBondContact O-NH2 2.79Å; S214-R273 WeakPolarHBondContact OG-CD 3.44Å; R273-D275 WeakPolarHBondContact CB-OD1 3.14Å; R273-D275 PolarHBondContact O-N 2.99Å; R273-L276 HydrophobicContact CB-CG 4.45Å; R273-L276 PolarHBondContact O-N 3.2Å; R273-C277 PolarHBondContact O-N 3.44Å
274K85.5Confident80.7Confident94 Ų9485.1 Ų85.141%0.40941%0.407SS..G310 helixtrans-56.9-31.7179.2-64.8174.7-176.4176.20112.6H272 L276 C277 K281 D288H272-K274 VanDerWaalsContact C-N 3.26Å; H272-K274 PolarHBondContact O-N 3.25Å; K274-L276 PolarHBondContact O-N 3.39Å; K274-C277 PolarHBondContact O-N 3.4Å; K274-K281 WeakPolarHBondContact O-CA 3.46Å; K274-K281 WeakPolarHBondContact O-CB 3.43Å; K274-D288 WeakPolarHBondContact CE-OD2 3.25Å; K274-D288 IonicContact NZ-OD2 2.67Å; K274-D288 PolarHBondContact NZ-OD2 3.19Å
275D87.9Confident80.8Confident70 Ų7081 Ų8137%0.37440%0.4SS..G310 helixtrans-60.9-29.1176.262.6-50.7000113.6R233 R273 K281R233-D275 IonicContact CZ-OD2 3.35Å; R233-D275 IonicContact NE-OD2 3.18Å; R233-D275 PolarHBondContact NE-OD2 3.2Å; R233-D275 IonicContact NH2-OD2 2.7Å; R233-D275 PolarHBondContact NH2-OD2 3.05Å; R273-D275 WeakPolarHBondContact CB-OD1 3.14Å; R273-D275 PolarHBondContact O-N 2.99Å; D275-K281 WeakPolarHBondContact O-CD 2.89Å
276L90.1Very high80.8Confident4 Ų483 Ų832%0.02142%0.416CS..G310 helixtrans-109.3-5.2-176.8-49.6-172.5000113.4W212 Q230 L231 R233 R273 K274 C278W212-L276 HydrophobicContact CG-CD1 4.43Å; Q230-L276 CarbonylContact C-O 3.56Å; Q230-L276 WeakPolarHBondContact CA-O 3.5Å; Q230-L276 HydrophobicContact CB-CB 4.32Å; L231-L276 PolarHBondContact N-O 2.81Å; R233-L276 HydrophobicContact CG-CD1 4.4Å; R233-L276 HydrophobicContact CG-CD2 3.32Å; R233-L276 HydrophobicContact CG-CG 4.48Å; R273-L276 HydrophobicContact CB-CG 4.45Å; R273-L276 PolarHBondContact O-N 3.2Å; K274-L276 PolarHBondContact O-N 3.39Å; L276-C278 PolarHBondContact O-N 3.4Å
277C89.3Confident80.7Confident0 Ų082.5 Ų82.50%041%0.414CS..BIsolated β-bridgetrans-78.3122-169.7-1770000112.6Y228 H272 R273 K274 R279 C280 K281 C287Y228-C277 HydrophobicContact CE2-CB 4.47Å; Y228-C277 WeakPolarHBondContact CE2-SG 3.25Å; H272-C277 VanDerWaalsContact NE2-CB 3.25Å; H272-C277 WeakPolarHBondContact NE2-CB 3.49Å; H272-C277 PolarHBondContact NE2-SG 3.46Å; R273-C277 PolarHBondContact O-N 3.44Å; K274-C277 PolarHBondContact O-N 3.4Å; C277-R279 PolarHBondContact O-N 2.96Å; C277-R279 PolarHBondContact SG-N 3.11Å; C277-C280 WeakPolarHBondContact CB-SG 3.3Å; C277-C280 PolarHBondContact SG-N 3.16Å; C277-C280 PolarHBondContact SG-SG 3.19Å; C277-K281 WeakPolarHBondContact O-CB 3.29Å; C277-K281 PolarHBondContact O-N 3.2Å; C277-C287 VanDerWaalsContact SG-SG 3.63Å
278C88.2Confident80.4Confident59 Ų5981.7 Ų81.740%0.39941%0.409SS..THydrogen-bonded Turntrans-65.3-9.5175.2-61.40000113.9K229 L231 L276K229-C278 HydrophobicContact CB-CB 4.32Å; K229-C278 VanDerWaalsContact CB-SG 3.57Å; K229-C278 VanDerWaalsContact O-CB 3.28Å; K229-C278 WeakPolarHBondContact O-CB 3.44Å; K229-C278 PolarHBondContact O-N 3.47Å; K229-C278 VanDerWaalsContact O-N 3.12Å; K229-C278 PolarHBondContact O-SG 2.99Å; L231-C278 WeakPolarHBondContact CD2-SG 3.43Å; L276-C278 PolarHBondContact O-N 3.4Å
279R87.1Confident79.6Confident99 Ų9980.9 Ų80.937%0.37442%0.418SS..THydrogen-bonded Turntrans-103.7-32.4-179.4-177.1178178.6-154.4-0.7114.5Y228 C277 M283 T290Y228-R279 HydrophobicContact CD1-CB 4.2Å; Y228-R279 HydrophobicContact CD2-CB 4.4Å; Y228-R279 HydrophobicContact CG-CB 4.05Å; C277-R279 PolarHBondContact O-N 2.96Å; C277-R279 PolarHBondContact SG-N 3.11Å; R279-M283 VanDerWaalsContact O-SD 3.37Å; R279-T290 VanDerWaalsContact NH1-CG2 3.26Å; R279-T290 PolarHBondContact NH1-OG1 2.92Å
280C85.2Confident79Confident8 Ų872 Ų725%0.05438%0.381CS..THydrogen-bonded Turntrans-121.5-5.7-177.662.30000115.8C277 G282 M283 L285 C287C277-C280 WeakPolarHBondContact CB-SG 3.3Å; C277-C280 PolarHBondContact SG-N 3.16Å; C277-C280 PolarHBondContact SG-SG 3.19Å; C280-G282 PolarHBondContact O-N 3.31Å; C280-G282 VanDerWaalsContact O-N 3.12Å; C280-M283 PolarHBondContact O-N 2.79Å; C280-M283 VanDerWaalsContact O-N 3.1Å; C280-L285 WeakPolarHBondContact CB-O 3.45Å; C280-C287 PolarHBondContact SG-SG 3.03Å
281K87.9Confident77.9Confident95 Ų9576.1 Ų76.141%0.41340%0.398SS..THydrogen-bonded Turntrans-60.2120.1175.4-177.3-170.1175.3-155.50109.6L231 K274 D275 C277 M283L231-K281 HydrophobicContact CD1-CD 3.54Å; K274-K281 WeakPolarHBondContact O-CA 3.46Å; K274-K281 WeakPolarHBondContact O-CB 3.43Å; D275-K281 WeakPolarHBondContact O-CD 2.89Å; C277-K281 WeakPolarHBondContact O-CB 3.29Å; C277-K281 PolarHBondContact O-N 3.2Å; K281-M283 VanDerWaalsContact C-N 3.26Å; K281-M283 PolarHBondContact O-N 3Å
282G82.7Confident77Confident89 Ų8973.1 Ų73.192%0.91838%0.378SS*.THydrogen-bonded Turntrans755.4179.800000115.4C280C280-G282 PolarHBondContact O-N 3.31Å; C280-G282 VanDerWaalsContact O-N 3.12Å
283M83.7Confident75.4Confident116 Ų11677.9 Ų77.957%0.57140%0.399SS*.SBendtrans-107.6152178.7-62.8-169.5178.300111.7R279 C280 K281 L285R279-M283 VanDerWaalsContact O-SD 3.37Å; C280-M283 PolarHBondContact O-N 2.79Å; C280-M283 VanDerWaalsContact O-N 3.1Å; K281-M283 VanDerWaalsContact C-N 3.26Å; K281-M283 PolarHBondContact O-N 3Å; M283-L285 PolarHBondContact O-N 2.92Å
284R76.8Confident74.1Confident259 Ų25979 Ų7998%0.97741%0.406SS*.SBendtrans-72-6.5171.7-64.9-177.170.3176.71.6113.6
285L73.1Confident72.2Confident130 Ų13083.8 Ų83.868%0.68142%0.423SS*.  trans-86.6124179.5-62.5173.4000110.9C280 M283C280-L285 WeakPolarHBondContact CB-O 3.45Å; M283-L285 PolarHBondContact O-N 2.92Å
286S71.3Confident70.3Confident57 Ų5784.9 Ų84.940%0.39943%0.428SS..  trans-82.9141.917470.80000111.3D288S286-D288 VanDerWaalsContact C-N 3.33Å
287C74.4Confident67.7Low2 Ų294.2 Ų94.21%0.01449%0.485CS..SBendtrans-82.4-14.1166.9-73.60000112.7Y228 C277 C280 A289 T290Y228-C287 VanDerWaalsContact OH-CB 3.22Å; Y228-C287 WeakPolarHBondContact OH-CB 3.44Å; C277-C287 VanDerWaalsContact SG-SG 3.63Å; C280-C287 PolarHBondContact SG-SG 3.03Å; C287-A289 VanDerWaalsContact C-N 3.3Å; C287-A289 PolarHBondContact O-N 3Å; C287-T290 WeakPolarHBondContact O-CB 3.41Å; C287-T290 PolarHBondContact O-N 3.02Å; C287-T290 PolarHBondContact O-OG1 3.26Å
288D66.8Low66.7Low76 Ų7699 Ų9941%0.40651%0.509SS..THydrogen-bonded Turntrans-64.7-36.3179.3-45.5-47.2000111.1H272 K274 S286 T290H272-D288 VanDerWaalsContact CB-OD1 3.26Å; H272-D288 WeakPolarHBondContact CB-OD1 3.18Å; K274-D288 WeakPolarHBondContact CE-OD2 3.25Å; K274-D288 IonicContact NZ-OD2 2.67Å; K274-D288 PolarHBondContact NZ-OD2 3.19Å; S286-D288 VanDerWaalsContact C-N 3.33Å; D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.27Å
289A57.7Low65.5Low78 Ų78101.1 Ų101.165%0.64552%0.515SS*.THydrogen-bonded Turntrans-88.924.617700000113.3C287 Y291C287-A289 VanDerWaalsContact C-N 3.3Å; C287-A289 PolarHBondContact O-N 3Å; A289-Y291 PolarHBondContact O-N 3.46Å
290T59.1Low64.3Low15 Ų15101.2 Ų101.29%0.09252%0.523CS..  trans-72.977.7171.4-49.90000109.3L196 W218 R279 C287 D288L196-T290 HydrophobicContact CD1-CG2 3.91Å; W218-T290 WeakPolarHBondContact CH2-O 3.34Å; R279-T290 VanDerWaalsContact NH1-CG2 3.26Å; R279-T290 PolarHBondContact NH1-OG1 2.92Å; C287-T290 WeakPolarHBondContact O-CB 3.41Å; C287-T290 PolarHBondContact O-N 3.02Å; C287-T290 PolarHBondContact O-OG1 3.26Å; D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.27Å
291Y51.9Low63.1Low182 Ų182106.6 Ų106.671%0.71455%0.55SS**  trans-57.7141.2164.5-135.4-80.7000108.2A289 F293A289-Y291 PolarHBondContact O-N 3.46Å; Y291-F293 AromaticContact CD1-CD2 3.84Å; Y291-F293 HydrophobicContact CD1-CD2 3.84Å; Y291-F293 AromaticContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CZ 4.19Å; Y291-F293 AromaticContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CZ 4.25Å; Y291-F293 HydrophobicContact CG-CE2 4.43Å; Y291-F293 PolarHBondContact O-N 3.19Å
292S54Low61.6Low30 Ų30107.4 Ų107.421%0.2156%0.559CS.*SBendtrans-70.38.9-154.749.90000116.2F195 K294F195-S292 WeakPolarHBondContact CA-O 3.24Å; F195-S292 WeakPolarHBondContact CD1-OG 3.24Å; S292-K294 PolarHBondContact O-N 3.35Å
293F47.8Very low60.1Low109 Ų109108.6 Ų108.648%0.47854%0.535SS..  trans-90.489.9179.5-48.7-66.8000111.1F195 Y291 Y295F195-F293 HydrophobicContact CE1-CD1 4.16Å; F195-F293 AromaticContact CE1-CE1 3.83Å; F195-F293 HydrophobicContact CE1-CE1 3.83Å; Y291-F293 AromaticContact CD1-CD2 3.84Å; Y291-F293 HydrophobicContact CD1-CD2 3.84Å; Y291-F293 AromaticContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CE2 3.38Å; Y291-F293 HydrophobicContact CD1-CZ 4.19Å; Y291-F293 AromaticContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CE2 3.77Å; Y291-F293 HydrophobicContact CE1-CZ 4.25Å; Y291-F293 HydrophobicContact CG-CE2 4.43Å; Y291-F293 PolarHBondContact O-N 3.19Å; F293-Y295 PolarHBondContact O-N 3.08Å
294K54.5Low58.5Low88 Ų88108.1 Ų108.138%0.38353%0.532SS..  trans-78.5112.8150.9-178.5176.5-173.3161.90107.7Y227 S292 I296Y227-K294 HydrophobicContact CE2-CD 3.52Å; Y227-K294 WeakPolarHBondContact OH-CD 3.32Å; Y227-K294 WeakPolarHBondContact OH-CE 3.38Å; Y227-K294 PolarHBondContact OH-NZ 3.41Å; Y227-K294 VanDerWaalsContact OH-NZ 3.09Å; S292-K294 PolarHBondContact O-N 3.35Å; K294-I296 HydrophobicContact CD-CG1 3.93Å; K294-I296 HydrophobicContact CG-CG1 4.02Å; K294-I296 PolarHBondContact O-N 3.32Å
295Y47.4Very low57.1Low193 Ų19396.5 Ų96.576%0.75750%0.498SS*.  trans-62106.8157-64.4-84000107.9F293F293-Y295 PolarHBondContact O-N 3.08Å
296I46.4Very low55.7Low93 Ų9393.7 Ų93.748%0.47748%0.483SS..  trans-91.7110.5158.3-57.2177.3000103.8Q194 K294Q194-I296 HydrophobicContact CB-CD1 3.99Å; Q194-I296 HydrophobicContact CG-CD1 4.08Å; K294-I296 HydrophobicContact CD-CG1 3.93Å; K294-I296 HydrophobicContact CG-CG1 4.02Å; K294-I296 PolarHBondContact O-N 3.32Å
297V37.3Very low54.3Low201 Ų20197 Ų97100%1.21849%0.49SS*.  trans-79.40167.7-1730000107.6

Retrieved 297 of 297 residues in 86.4 ms (Link to these results)