A0A087XLE6_POEFO Loading...

Complement factor H-related protein 1-like

AlphaFold DB , UniProt , Accession A0A087XLE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 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
1M37.1Very low42.7Very low224 Ų224168.1 Ų168.1100%1.10387%0.867SS**  0132.20-146164.68500106.9
2W33.3Very low43.3Very low223 Ų223164.3 Ų164.385%0.84586%0.857SS**  trans88.595.2174.3-62.276.3000118.9
3L37.5Very low43.4Very low167 Ų167169.4 Ų169.487%0.87486%0.858SS**  trans-57142.8146.3-76.2129.2000111.2
4T42.3Very low44.2Very low140 Ų140167.3 Ų167.386%0.85985%0.848SS**  trans-169.8135.5144.745.80000106
5G42.3Very low44.7Very low69 Ų69162.7 Ų162.771%0.71183%0.834SS**  cis162.897.3300000105.5R7G5-R7 PolarHBondContact O-N 3.11Å
6L44.3Very low45.1Very low166 Ų166156.6 Ų156.687%0.86982%0.824SS**  trans-69.9115174.6-103.1111.1000108.8F8L6-F8 PolarHBondContact O-N 3.07Å
7R44.2Very low45.8Very low247 Ų247154.5 Ų154.593%0.93282%0.819SS**  trans-74.7105.5173.3-72.1-171.5174.4-161-1109.4G5 A9G5-R7 PolarHBondContact O-N 3.11Å; R7-A9 PolarHBondContact O-N 3.35Å
8F47.5Very low46.1Very low188 Ų188155.2 Ų155.283%0.82582%0.822SS**  trans-70.7113.4161.9-81.4-93.1000108.7L6 L10L6-F8 PolarHBondContact O-N 3.07Å; F8-L10 PolarHBondContact O-N 2.86Å
9A49.4Very low46.2Very low98 Ų98155.5 Ų155.581%0.8182%0.818SS**  trans-74.7100.7165.800000108.2R7 L11R7-A9 PolarHBondContact O-N 3.35Å; A9-L11 PolarHBondContact O-N 2.02Å
10L46.3Very low46.5Very low159 Ų159152.8 Ų152.883%0.83282%0.818SS**  trans-70.7109.1168.1-81.5161.8000108.3F8 V12F8-L10 PolarHBondContact O-N 2.86Å; L10-V12 PolarHBondContact O-N 2.85Å
11L46Very low47.1Very low168 Ų168150.9 Ų150.988%0.8881%0.812SS**  trans-64.799.1165.7-73.9165.2000107.9A9 W13A9-L11 PolarHBondContact O-N 2.02Å; L11-W13 PolarHBondContact O-N 3.29Å
12V49.9Very low48.7Very low122 Ų122146.7 Ų146.774%0.73979%0.794SS**  trans-70.2100168.8178.90000107.1L10 I14L10-V12 PolarHBondContact O-N 2.85Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å; V12-I14 PolarHBondContact O-N 3.19Å; V12-I14 VanDerWaalsContact O-N 3.12Å
13W44.5Very low50.8Low231 Ų231144 Ų14488%0.87579%0.791SS**  trans-70.698.4166.8-139.363.9000106.5L11 P15L11-W13 PolarHBondContact O-N 3.29Å; W13-P15 WeakPolarHBondContact O-CD 3.24Å
14I54.9Low53.3Low140 Ų140141.5 Ų141.572%0.71877%0.773SS**  trans-70.9112.5171-58.1173.9000105.5V12 G16V12-I14 HydrophobicContact CG1-CG1 4.17Å; V12-I14 PolarHBondContact O-N 3.19Å; V12-I14 VanDerWaalsContact O-N 3.12Å; I14-G16 PolarHBondContact O-N 3.09Å
15P50.8Low55.8Low98 Ų98141 Ų14164%0.63676%0.761SS**  trans-64114170.1-9.726.7000105.8W13 V17W13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-V17 PolarHBondContact O-N 3.18Å; P15-V17 VanDerWaalsContact O-N 3.09Å
16G51.1Low58.3Low66 Ų66141.1 Ų141.168%0.6875%0.749SS**  trans-52.8120.3171.500000108.1I14 L18I14-G16 PolarHBondContact O-N 3.09Å; G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 3.31Å
17V57.1Low60.8Low120 Ų120133.2 Ų133.273%0.72771%0.708SS**  trans-58.9102.8167.3176.50000105.6P15 H19P15-V17 PolarHBondContact O-N 3.18Å; P15-V17 VanDerWaalsContact O-N 3.09Å; V17-H19 VanDerWaalsContact C-N 3.33Å; V17-H19 PolarHBondContact O-N 3.41Å
18L51.4Low63.4Low167 Ų167125.8 Ų125.887%0.87469%0.694SS**  trans-60105.1162.5-81.8159.2000105.2G16 A20G16-L18 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 3.31Å; L18-A20 PolarHBondContact O-N 2.02Å
19H48.9Very low65.7Low162 Ų162118.9 Ų118.975%0.7567%0.671SS**  trans-54.9111.5161.6-75.9-84.4000105.9V17 V21V17-H19 VanDerWaalsContact C-N 3.33Å; V17-H19 PolarHBondContact O-N 3.41Å; H19-V21 PolarHBondContact O-N 2.81Å
20A51.9Low67.9Low100 Ų100114.7 Ų114.783%0.82664%0.636SS**  trans-6095.7164.300000106L18 N22L18-A20 PolarHBondContact O-N 2.02Å; A20-N22 PolarHBondContact O-N 3.1Å
21V59.6Low70.2Confident113 Ų113112.8 Ų112.869%0.68563%0.626SS**  trans-64.1116.7163.1-177.60000103.4H19 E23H19-V21 PolarHBondContact O-N 2.81Å; V21-E23 PolarHBondContact O-N 3.19Å
22N70.1Confident72.6Confident136 Ų136106 Ų10673%0.72759%0.591SS**  trans-64.589.2171-163.951.9000106.2A20 K24A20-N22 PolarHBondContact O-N 3.1Å; N22-K24 PolarHBondContact O-N 3Å
23E76.9Confident74.8Confident168 Ų168107.3 Ų107.379%0.78559%0.587SS**  trans-66.6115.7176.8-76-172.7172.100106.9V21V21-E23 PolarHBondContact O-N 3.19Å
24K89.6Confident77.3Confident113 Ų11399.7 Ų99.749%0.49156%0.563SS.*PPolyproline II helixtrans-69.2137.6-177.8-65.1-173.8178.6-175.10110.1N22 H46 D73N22-K24 PolarHBondContact O-N 3Å; K24-H46 HydrophobicContact CB-CB 3.56Å; K24-H46 HydrophobicContact CD-CB 4.25Å; K24-H46 WeakPolarHBondContact CD-CD2 3Å; K24-H46 VanDerWaalsContact CD-CE1 3.45Å; K24-H46 WeakPolarHBondContact CD-CE1 3.05Å; K24-H46 WeakPolarHBondContact CD-ND1 3.37Å; K24-H46 WeakPolarHBondContact CD-NE2 3.41Å; K24-H46 PolarHBondContact NZ-CE1 3.2Å; K24-H46 PolarHBondContact NZ-NE2 3.01Å; K24-D73 WeakPolarHBondContact CA-OD1 3.47Å; K24-D73 WeakPolarHBondContact CB-OD1 3.02Å
25E94.2Very high79.3Confident130 Ų13093.9 Ų93.961%0.60754%0.538SS*.PPolyproline II helixtrans-69.4139.8-173.3-68.5-168.1168.200111.5D73 G74E25-D73 PolarHBondContact N-OD1 2.81Å; E25-D73 CarbonylContact O-C 3.54Å; E25-D73 WeakPolarHBondContact O-CA 3.24Å; E25-G74 PolarHBondContact O-N 3.42Å
26P96.3Very high81.3Confident72 Ų7295 Ų9547%0.46853%0.531SS..PPolyproline II helixtrans-78.2150.8172.833.5-34.4000111.2Y44P26-Y44 CarbonylContact C-O 3.54Å; P26-Y44 WeakPolarHBondContact CA-O 3.45Å; P26-Y44 WeakPolarHBondContact CB-O 3.33Å
27C97.1Very high83.4Confident0 Ų093.6 Ų93.60%051%0.506CS..EExtended strand (participates in β ladder)trans-89.1144.9176.2-55.20000110.7S43 Y44 C71 D75 W76C27-S43 CarbonylContact O-C 3.42Å; C27-S43 VanDerWaalsContact O-CA 3.3Å; C27-S43 WeakPolarHBondContact O-CA 3.32Å; C27-Y44 PolarHBondContact N-O 2.89Å; C27-Y44 PolarHBondContact O-N 3Å; C27-C71 HydrophobicContact CB-CB 3.83Å; C27-C71 WeakPolarHBondContact CB-SG 3.35Å; C27-C71 PolarHBondContact N-SG 2.93Å; C27-C71 WeakPolarHBondContact SG-CA 3.45Å; C27-C71 WeakPolarHBondContact SG-CB 3.31Å; C27-C71 CovalentContact SG-SG 2.04Å; C27-C71 PolarHBondContact SG-SG 3.4Å; C27-D75 PolarHBondContact SG-O 2.9Å; C27-W76 HydrophobicContact CB-CD2 4.17Å; C27-W76 HydrophobicContact CB-CH2 4.25Å; C27-W76 HydrophobicContact CB-CZ2 3.65Å
28S97.2Very high85Confident90 Ų9092.8 Ų92.863%0.62950%0.497SS*.EExtended strand (participates in β ladder)trans-73.9162.2168.1-64.10000111.3W76S28-W76 WeakPolarHBondContact O-CZ2 3.49Å; S28-W76 PolarHBondContact O-NE1 2.94Å
29A96.3Very high87Confident43 Ų4387.7 Ų87.736%0.35547%0.474SS..PPolyproline II helixtrans-48.4134.3173.300000112.7F37 Q41 E42 Y44A29-F37 HydrophobicContact CB-CZ 4.24Å; A29-Q41 WeakPolarHBondContact CB-O 2.93Å; A29-E42 PolarHBondContact N-O 3.46Å; A29-Y44 HydrophobicContact CB-CE2 4.42Å
30P95.4Very high89.2Confident10 Ų1085.4 Ų85.47%0.06547%0.471CS..PPolyproline II helixtrans-65.1138.2-179.9-13.524.7000112.1L32 F37 V50 I69 W76 P80P30-L32 PolarHBondContact O-N 3.06Å; P30-F37 HydrophobicContact CG-CD1 4.46Å; P30-F37 HydrophobicContact CG-CG 4.49Å; P30-F37 WeakPolarHBondContact O-CE1 3.13Å; P30-V50 HydrophobicContact CG-CG1 4.29Å; P30-I69 HydrophobicContact CB-CD1 4.14Å; P30-I69 HydrophobicContact CG-CD1 3.88Å; P30-W76 HydrophobicContact CG-CD2 4.5Å; P30-W76 HydrophobicContact CG-CZ2 3.84Å; P30-P80 HydrophobicContact CB-CG 3.61Å
31D94.6Very high91.3Very high119 Ų11985.2 Ų85.264%0.63645%0.453SS*.  trans-79.6100.8171.3-179.222.9000109.6
32L96.2Very high93Very high25 Ų2588.4 Ų88.413%0.13146%0.46CS..  trans-127126.6-179.2-177.362.2000110.8P30 F37 Y52 P80 C82P30-L32 PolarHBondContact O-N 3.06Å; L32-F37 HydrophobicContact CB-CD1 4.33Å; L32-F37 HydrophobicContact CD2-CD1 4.37Å; L32-Y52 HydrophobicContact CD1-CD2 4.1Å; L32-Y52 HydrophobicContact CD1-CE2 4.33Å; L32-Y52 HydrophobicContact CD2-CD2 3.7Å; L32-Y52 HydrophobicContact CD2-CG 3.97Å; L32-P80 HydrophobicContact CD1-CB 4.19Å; L32-C82 HydrophobicContact CD1-CB 4.49Å
33K96.6Very high94.2Very high151 Ų15184.7 Ų84.766%0.65745%0.445SS*.SBendtrans-108.9145.7175.6-64.6178.6179.1172.70110.2G35 C82K33-G35 VanDerWaalsContact C-N 3.28Å; K33-G35 PolarHBondContact O-N 2.81Å; K33-C82 WeakPolarHBondContact O-CB 3.33Å
34N97Very high95.2Very high70 Ų7076.9 Ų76.937%0.37441%0.408SS..SBendtrans56.442.1-179.4-44.8-58.5000112.6D55 Y58N34-D55 VanDerWaalsContact C-CG 3.45Å; N34-D55 VanDerWaalsContact CA-OD2 3.31Å; N34-D55 WeakPolarHBondContact CA-OD2 3.32Å; N34-D55 PolarHBondContact O-N 3.4Å; N34-Y58 HydrophobicContact CB-CD1 3.83Å; N34-Y58 HydrophobicContact CB-CD2 3.7Å; N34-Y58 HydrophobicContact CB-CE1 3.85Å; N34-Y58 HydrophobicContact CB-CE2 3.72Å; N34-Y58 HydrophobicContact CB-CG 3.77Å; N34-Y58 VanDerWaalsContact CG-CZ 3.47Å; N34-Y58 WeakPolarHBondContact ND2-CE1 2.99Å
35G96.1Very high95.5Very high19 Ų1974.5 Ų74.520%0.19641%0.41CS..EExtended strand (participates in β ladder)trans-173.7-177.6179.700000111.8K33 S53 D55K33-G35 VanDerWaalsContact C-N 3.28Å; K33-G35 PolarHBondContact O-N 2.81Å; G35-S53 CarbonylContact C-O 3.53Å; G35-S53 WeakPolarHBondContact CA-O 3.43Å; G35-D55 PolarHBondContact N-OD2 2.8Å; G35-D55 VanDerWaalsContact N-OD2 3.09Å
36Y93.7Very high95.6Very high122 Ų12271.6 Ų71.648%0.47840%0.396SS..EExtended strand (participates in β ladder)trans-142.9157.8-179.861.7-85.6000110.4Y52 S53Y36-Y52 CarbonylContact O-C 3.55Å; Y36-Y52 VanDerWaalsContact O-CA 3.24Å; Y36-Y52 WeakPolarHBondContact O-CA 2.97Å; Y36-Y52 WeakPolarHBondContact O-CB 3.39Å; Y36-S53 PolarHBondContact N-O 3.02Å; Y36-S53 PolarHBondContact O-N 3.31Å
37F96Very high95.5Very high35 Ų3569.8 Ų69.815%0.15439%0.391CS..EExtended strand (participates in β ladder)trans-130.4155.2178.556.2-100000112.1A29 P30 L32 V40 Y44 V50 T51A29-F37 HydrophobicContact CB-CZ 4.24Å; P30-F37 HydrophobicContact CG-CD1 4.46Å; P30-F37 HydrophobicContact CG-CG 4.49Å; P30-F37 WeakPolarHBondContact O-CE1 3.13Å; L32-F37 HydrophobicContact CB-CD1 4.33Å; L32-F37 HydrophobicContact CD2-CD1 4.37Å; F37-V40 HydrophobicContact CE2-CG1 4.44Å; F37-V40 WeakPolarHBondContact O-CG2 3.36Å; F37-Y44 WeakPolarHBondContact CD2-OH 3.37Å; F37-Y44 WeakPolarHBondContact CE2-OH 3.44Å; F37-V50 HydrophobicContact CB-CG1 3.73Å; F37-V50 HydrophobicContact CD2-CG1 4.17Å; F37-V50 HydrophobicContact CG-CG1 4.22Å; F37-T51 CarbonylContact C-O 3.55Å; F37-T51 VanDerWaalsContact CA-O 3.28Å; F37-T51 WeakPolarHBondContact CA-O 3.37Å
38L90.3Very high95.3Very high103 Ų10371.5 Ų71.554%0.53940%0.403SS..EExtended strand (participates in β ladder)trans-135.4142-179.4-64.1175.6000110.6V40 V50 T51L38-V40 HydrophobicContact CD2-CG2 4.27Å; L38-V50 WeakPolarHBondContact O-CA 3.37Å; L38-T51 PolarHBondContact N-O 2.83Å; L38-T51 PolarHBondContact O-N 3.06Å
39P93.7Very high95.2Very high61 Ų6173 Ų7340%0.39640%0.4SS..SBendcis-69151.1-9.530.3-34.2000111.4Q41 Y44P39-Q41 HydrophobicContact CB-CG 4.49Å; P39-Q41 PolarHBondContact O-N 3.32Å; P39-Y44 HydrophobicContact CG-CE1 4.23Å; P39-Y44 WeakPolarHBondContact O-CE1 3.47Å; P39-Y44 PolarHBondContact O-OH 3.21Å
40V94.5Very high95Very high113 Ų11370.9 Ų70.969%0.68538%0.383SS*.  trans-81.4111.8176.5-178.40000109.8F37 L38F37-V40 HydrophobicContact CE2-CG1 4.44Å; F37-V40 WeakPolarHBondContact O-CG2 3.36Å; L38-V40 HydrophobicContact CD2-CG2 4.27Å
41Q95.1Very high94.8Very high97 Ų9772.8 Ų72.845%0.45339%0.394SS..  trans-142.7158.1176-51.6-178.53200110.1A29 P39 S43 Y44A29-Q41 WeakPolarHBondContact CB-O 2.93Å; P39-Q41 HydrophobicContact CB-CG 4.49Å; P39-Q41 PolarHBondContact O-N 3.32Å; Q41-S43 PolarHBondContact OE1-O 2.82Å; Q41-Y44 HydrophobicContact CB-CD1 4.43Å; Q41-Y44 HydrophobicContact CB-CE1 3.87Å; Q41-Y44 HydrophobicContact CB-CE2 4.03Å; Q41-Y44 HydrophobicContact CG-CE1 4.07Å; Q41-Y44 PolarHBondContact N-OH 3.3Å; Q41-Y44 VanDerWaalsContact O-CE2 3.24Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.28Å; Q41-Y44 PolarHBondContact O-OH 3.04Å; Q41-Y44 VanDerWaalsContact O-OH 3.05Å
42E95.7Very high94.7Very high179 Ų17967.4 Ų67.484%0.83637%0.365SS*.SBendtrans-79.7-27.2174.4-66.2-173.3168.300112.5A29A29-E42 PolarHBondContact N-O 3.46Å
43S96.8Very high94.6Very high59 Ų5967.1 Ų67.141%0.41337%0.365SS..EExtended strand (participates in β ladder)trans-145.9146.2-178.5-177.20000111.3C27 Q41C27-S43 CarbonylContact O-C 3.42Å; C27-S43 VanDerWaalsContact O-CA 3.3Å; C27-S43 WeakPolarHBondContact O-CA 3.32Å; Q41-S43 PolarHBondContact OE1-O 2.82Å
44Y96.3Very high94.5Very high3 Ų360.8 Ų60.81%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-131.4127.1-174.2-59.3-100.1000109.9P26 C27 A29 F37 P39 Q41 V50 W76P26-Y44 CarbonylContact C-O 3.54Å; P26-Y44 WeakPolarHBondContact CA-O 3.45Å; P26-Y44 WeakPolarHBondContact CB-O 3.33Å; C27-Y44 PolarHBondContact N-O 2.89Å; C27-Y44 PolarHBondContact O-N 3Å; A29-Y44 HydrophobicContact CB-CE2 4.42Å; F37-Y44 WeakPolarHBondContact CD2-OH 3.37Å; F37-Y44 WeakPolarHBondContact CE2-OH 3.44Å; P39-Y44 HydrophobicContact CG-CE1 4.23Å; P39-Y44 WeakPolarHBondContact O-CE1 3.47Å; P39-Y44 PolarHBondContact O-OH 3.21Å; Q41-Y44 HydrophobicContact CB-CD1 4.43Å; Q41-Y44 HydrophobicContact CB-CE1 3.87Å; Q41-Y44 HydrophobicContact CB-CE2 4.03Å; Q41-Y44 HydrophobicContact CG-CE1 4.07Å; Q41-Y44 PolarHBondContact N-OH 3.3Å; Q41-Y44 VanDerWaalsContact O-CE2 3.24Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.28Å; Q41-Y44 PolarHBondContact O-OH 3.04Å; Q41-Y44 VanDerWaalsContact O-OH 3.05Å; Y44-V50 HydrophobicContact CD1-CG2 3.38Å; Y44-V50 HydrophobicContact CE1-CG2 3.23Å; Y44-V50 HydrophobicContact CG-CG2 4.12Å; Y44-W76 HydrophobicContact CD1-CH2 4.07Å; Y44-W76 AromaticContact CD2-CH2 3.76Å; Y44-W76 HydrophobicContact CD2-CH2 3.76Å; Y44-W76 AromaticContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CE2-CH2 4.41Å; Y44-W76 HydrophobicContact CE2-CZ2 4.12Å; Y44-W76 AromaticContact CG-CH2 3.57Å; Y44-W76 HydrophobicContact CG-CH2 3.57Å; Y44-W76 AromaticContact CG-CZ2 3.87Å; Y44-W76 HydrophobicContact CG-CZ2 3.87Å
45A96.6Very high94.4Very high64 Ų6461 Ų6153%0.52934%0.34SS..  trans-61152.8176.300000111.6G47 S48A45-G47 PolarHBondContact O-N 2.83Å; A45-S48 PolarHBondContact N-OG 3.15Å; A45-S48 WeakPolarHBondContact O-CB 3.37Å; A45-S48 PolarHBondContact O-N 3.15Å; A45-S48 PolarHBondContact O-OG 3.41Å
46H95.6Very high94.3Very high68 Ų6866.9 Ų66.932%0.31537%0.373SS..THydrogen-bonded Turntrans-49.4135170.7175.689.1000111.6K24 S48 D73K24-H46 HydrophobicContact CB-CB 3.56Å; K24-H46 HydrophobicContact CD-CB 4.25Å; K24-H46 WeakPolarHBondContact CD-CD2 3Å; K24-H46 VanDerWaalsContact CD-CE1 3.45Å; K24-H46 WeakPolarHBondContact CD-CE1 3.05Å; K24-H46 WeakPolarHBondContact CD-ND1 3.37Å; K24-H46 WeakPolarHBondContact CD-NE2 3.41Å; K24-H46 PolarHBondContact NZ-CE1 3.2Å; K24-H46 PolarHBondContact NZ-NE2 3.01Å; H46-S48 VanDerWaalsContact C-N 3.3Å; H46-D73 PolarHBondContact ND1-N 2.94Å
47G93.9Very high94.1Very high35 Ų3562.5 Ų62.536%0.36136%0.364SS..THydrogen-bonded Turntrans82.70.7-176.300000114.4A45 H49 C71A45-G47 PolarHBondContact O-N 2.83Å; G47-H49 PolarHBondContact O-CD2 2.82Å; G47-H49 VanDerWaalsContact O-CD2 3.26Å; G47-C71 WeakPolarHBondContact CA-O 3.31Å; G47-C71 PolarHBondContact N-O 3.1Å
48S93.9Very high94Very high35 Ų3564.4 Ų64.425%0.24537%0.371CS..  trans-66138.5173.2-62.80000111.2A45 H46 V70 C71A45-S48 PolarHBondContact N-OG 3.15Å; A45-S48 WeakPolarHBondContact O-CB 3.37Å; A45-S48 PolarHBondContact O-N 3.15Å; A45-S48 PolarHBondContact O-OG 3.41Å; H46-S48 VanDerWaalsContact C-N 3.3Å; S48-V70 CarbonylContact O-C 3.58Å; S48-V70 WeakPolarHBondContact O-CA 3.4Å; S48-C71 PolarHBondContact O-N 3.49Å
49H94.3Very high94Very high121 Ų12162 Ų6256%0.5636%0.356SS*.EExtended strand (participates in β ladder)trans-101.6128.8173.5-70.4-109.1000109.6G47 T68 I69G47-H49 PolarHBondContact O-CD2 2.82Å; G47-H49 VanDerWaalsContact O-CD2 3.26Å; H49-T68 HydrophobicContact CB-CG2 3.91Å; H49-I69 WeakPolarHBondContact CA-O 3.3Å
50V92.1Very high93.9Very high0 Ų059.2 Ų59.20%034%0.339CS..EExtended strand (participates in β ladder)trans-122.9127.7176.7173.90000108.6P30 F37 L38 Y44 T68 I69 W76P30-V50 HydrophobicContact CG-CG1 4.29Å; F37-V50 HydrophobicContact CB-CG1 3.73Å; F37-V50 HydrophobicContact CD2-CG1 4.17Å; F37-V50 HydrophobicContact CG-CG1 4.22Å; L38-V50 WeakPolarHBondContact O-CA 3.37Å; Y44-V50 HydrophobicContact CD1-CG2 3.38Å; Y44-V50 HydrophobicContact CE1-CG2 3.23Å; Y44-V50 HydrophobicContact CG-CG2 4.12Å; V50-T68 CarbonylContact O-C 3.56Å; V50-T68 VanDerWaalsContact O-CA 3.31Å; V50-T68 WeakPolarHBondContact O-CA 3.48Å; V50-I69 HydrophobicContact CB-CG1 4.03Å; V50-I69 HydrophobicContact CG1-CG1 4.49Å; V50-I69 PolarHBondContact N-O 3.09Å; V50-I69 WeakPolarHBondContact O-CG1 3.22Å; V50-I69 PolarHBondContact O-N 2.79Å; V50-W76 HydrophobicContact CB-CH2 4.08Å; V50-W76 HydrophobicContact CB-CZ3 4.06Å; V50-W76 HydrophobicContact CG2-CH2 3.39Å; V50-W76 HydrophobicContact CG2-CZ2 4.34Å; V50-W76 HydrophobicContact CG2-CZ3 3.76Å
51T91.9Very high93.5Very high50 Ų5056.3 Ų56.331%0.30732%0.321SS..EExtended strand (participates in β ladder)trans-105.1130.5178.3-56.80000109.5F37 L38 W66 V67 T68F37-T51 CarbonylContact C-O 3.55Å; F37-T51 VanDerWaalsContact CA-O 3.28Å; F37-T51 WeakPolarHBondContact CA-O 3.37Å; L38-T51 PolarHBondContact N-O 2.83Å; L38-T51 PolarHBondContact O-N 3.06Å; T51-W66 HydrophobicContact CG2-CB 3.68Å; T51-W66 HydrophobicContact CG2-CG 3.94Å; T51-V67 CarbonylContact C-O 3.48Å; T51-V67 VanDerWaalsContact CA-O 3.26Å; T51-V67 WeakPolarHBondContact CA-O 3.39Å; T51-T68 PolarHBondContact OG1-OG1 3.01Å
52Y93.3Very high92.8Very high6 Ų656.3 Ų56.32%0.02432%0.321CS..EExtended strand (participates in β ladder)trans-120.1155.1176.980-88.5000112.6L32 Y36 T60 W66 V67 I69 P80 E81L32-Y52 HydrophobicContact CD1-CD2 4.1Å; L32-Y52 HydrophobicContact CD1-CE2 4.33Å; L32-Y52 HydrophobicContact CD2-CD2 3.7Å; L32-Y52 HydrophobicContact CD2-CG 3.97Å; Y36-Y52 CarbonylContact O-C 3.55Å; Y36-Y52 VanDerWaalsContact O-CA 3.24Å; Y36-Y52 WeakPolarHBondContact O-CA 2.97Å; Y36-Y52 WeakPolarHBondContact O-CB 3.39Å; Y52-T60 HydrophobicContact CD2-CG2 4.43Å; Y52-T60 HydrophobicContact CE2-CG2 3.86Å; Y52-W66 CarbonylContact O-C 3.6Å; Y52-W66 WeakPolarHBondContact O-CA 3.31Å; Y52-W66 WeakPolarHBondContact O-CB 3.19Å; Y52-V67 HydrophobicContact CD1-CB 4.07Å; Y52-V67 HydrophobicContact CD1-CG1 4.43Å; Y52-V67 WeakPolarHBondContact CD1-O 3.38Å; Y52-V67 HydrophobicContact CE1-CB 3.47Å; Y52-V67 VanDerWaalsContact CE1-CB 3.47Å; Y52-V67 HydrophobicContact CE1-CG1 3.62Å; Y52-V67 HydrophobicContact CE1-CG2 4.48Å; Y52-V67 PolarHBondContact N-O 2.84Å; Y52-V67 PolarHBondContact O-N 3.33Å; Y52-I69 HydrophobicContact CD1-CG2 4.48Å; Y52-I69 HydrophobicContact CE1-CG2 4.22Å; Y52-P80 HydrophobicContact CD1-CB 3.51Å; Y52-P80 HydrophobicContact CD2-CB 4.17Å; Y52-P80 HydrophobicContact CE1-CB 3.42Å; Y52-P80 VanDerWaalsContact CE1-CB 3.42Å; Y52-P80 HydrophobicContact CE2-CB 4.1Å; Y52-P80 HydrophobicContact CG-CB 3.89Å; Y52-E81 PolarHBondContact OH-N 2.98Å; Y52-E81 PolarHBondContact OH-O 2.93Å
53S93Very high91.6Very high19 Ų1956.6 Ų56.613%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-141.1160.6176.4-169.90000109.6G35 Y36 W65G35-S53 CarbonylContact C-O 3.53Å; G35-S53 WeakPolarHBondContact CA-O 3.43Å; Y36-S53 PolarHBondContact N-O 3.02Å; Y36-S53 PolarHBondContact O-N 3.31Å; S53-W65 WeakPolarHBondContact CB-O 3.27Å; S53-W65 PolarHBondContact OG-O 3.25Å
54C95.1Very high90.7Very high17 Ų1756 Ų5612%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-103.1150.2-174.3-59.10000111.8K59 T60 C82C54-K59 PolarHBondContact SG-O 2.99Å; C54-T60 PolarHBondContact SG-N 2.89Å; C54-C82 WeakPolarHBondContact CA-SG 3.31Å; C54-C82 HydrophobicContact CB-CB 3.79Å; C54-C82 WeakPolarHBondContact CB-SG 3.45Å; C54-C82 WeakPolarHBondContact SG-CA 3.24Å; C54-C82 WeakPolarHBondContact SG-CB 3.48Å; C54-C82 CovalentContact SG-SG 2.04Å; C54-C82 PolarHBondContact SG-SG 3.4Å
55D95.2Very high89.8Confident74 Ų7466 Ų6640%0.39636%0.363SS..PPolyproline II helixtrans-69.2164.5175.4-64.6-31.1000110.8N34 G35 G57 Y58N34-D55 VanDerWaalsContact C-CG 3.45Å; N34-D55 VanDerWaalsContact CA-OD2 3.31Å; N34-D55 WeakPolarHBondContact CA-OD2 3.32Å; N34-D55 PolarHBondContact O-N 3.4Å; G35-D55 PolarHBondContact N-OD2 2.8Å; G35-D55 VanDerWaalsContact N-OD2 3.09Å; D55-G57 PolarHBondContact O-N 2.98Å; D55-Y58 WeakPolarHBondContact O-CB 3.14Å; D55-Y58 PolarHBondContact O-N 2.91Å
56T92.8Very high89.4Confident144 Ų14471 Ų7188%0.88337%0.369SS*.THydrogen-bonded Turntrans-55.7131.6179.7-54.70000112.1Y58T56-Y58 VanDerWaalsContact C-N 3.34Å
57G90.4Very high88.9Confident29 Ų2968.1 Ų68.130%0.29936%0.356SS..THydrogen-bonded Turntrans91.3-3.4-175.100000113.8D55 E85D55-G57 PolarHBondContact O-N 2.98Å; G57-E85 WeakPolarHBondContact CA-OE1 3.43Å; G57-E85 PolarHBondContact N-OE1 2.97Å; G57-E85 VanDerWaalsContact N-OE1 3.17Å; G57-E85 PolarHBondContact O-N 3.38Å; G57-E85 VanDerWaalsContact O-N 3.08Å
58Y94.6Very high88.8Confident76 Ų7669.4 Ų69.430%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-124.7156.6175.8-63.5-98.3000111.2N34 D55 T56 V83 V84N34-Y58 HydrophobicContact CB-CD1 3.83Å; N34-Y58 HydrophobicContact CB-CD2 3.7Å; N34-Y58 HydrophobicContact CB-CE1 3.85Å; N34-Y58 HydrophobicContact CB-CE2 3.72Å; N34-Y58 HydrophobicContact CB-CG 3.77Å; N34-Y58 VanDerWaalsContact CG-CZ 3.47Å; N34-Y58 WeakPolarHBondContact ND2-CE1 2.99Å; D55-Y58 WeakPolarHBondContact O-CB 3.14Å; D55-Y58 PolarHBondContact O-N 2.91Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; Y58-V83 CarbonylContact C-O 3.51Å; Y58-V83 WeakPolarHBondContact CA-O 3.42Å; Y58-V84 HydrophobicContact CD1-CG2 4.29Å; Y58-V84 HydrophobicContact CE1-CG2 3.83Å
59K90Very high88.8Confident51 Ų5167.8 Ų67.822%0.22235%0.346CS..EExtended strand (participates in β ladder)trans-137.9160.6175.966.4-177-179.2-165.70111.2C54 C82 V83 E85 V87C54-K59 PolarHBondContact SG-O 2.99Å; K59-C82 WeakPolarHBondContact O-CA 3.4Å; K59-V83 HydrophobicContact CG-CG2 3.98Å; K59-V83 PolarHBondContact N-O 3.32Å; K59-V83 PolarHBondContact O-N 3.3Å; K59-E85 HydrophobicContact CB-CG 4.37Å; K59-E85 WeakPolarHBondContact CE-O 3.46Å; K59-E85 PolarHBondContact NZ-O 2.04Å; K59-V87 WeakPolarHBondContact CE-O 3.28Å; K59-V87 PolarHBondContact NZ-O 2.81Å
60T90.8Very high88.9Confident4 Ų463.6 Ų63.63%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-66.6156.6175.250.90000110.8Y52 C54 E62 G64 V67 L89Y52-T60 HydrophobicContact CD2-CG2 4.43Å; Y52-T60 HydrophobicContact CE2-CG2 3.86Å; C54-T60 PolarHBondContact SG-N 2.89Å; T60-E62 PolarHBondContact O-N 2.84Å; T60-E62 PolarHBondContact OG1-O 3.18Å; T60-G64 PolarHBondContact OG1-O 3.08Å; T60-V67 HydrophobicContact CG2-CG2 3.89Å; T60-L89 VanDerWaalsContact O-CD1 3.27Å; T60-L89 WeakPolarHBondContact O-CD1 3.27Å
61T86.1Confident89.1Confident51 Ų5163.6 Ų63.631%0.31333%0.328SS..SBendtrans-73.8-11.9174.445.30000113.6E81 V83T61-E81 HydrophobicContact CG2-CB 3.94Å; T61-E81 HydrophobicContact CG2-CG 4.18Å; T61-V83 HydrophobicContact CG2-CG1 3.94Å
62E80.1Confident89.3Confident97 Ų9766.4 Ų66.445%0.45334%0.338SS..SBendtrans-108158.6170.1-55.4-178.1-178.700110.6T60 G64 V67T60-E62 PolarHBondContact O-N 2.84Å; T60-E62 PolarHBondContact OG1-O 3.18Å; E62-G64 PolarHBondContact O-N 2.94Å; E62-V67 HydrophobicContact CB-CG2 3.77Å; E62-V67 HydrophobicContact CG-CG2 4.17Å
63E71.8Confident89.4Confident185 Ų18569.5 Ų69.586%0.86436%0.355SS*.SBendtrans-67.3118.9174.8-70.3-168.5167.100111.1
64G76.9Confident89.5Confident47 Ų4769.6 Ų69.649%0.48536%0.359SS..SBendtrans152.717717800000112.5T60 E62T60-G64 PolarHBondContact OG1-O 3.08Å; E62-G64 PolarHBondContact O-N 2.94Å
65W78.1Confident89.6Confident212 Ų21274.5 Ų74.580%0.80338%0.384SS*.SBendtrans-91.5-17.6172.2-66.393.6000112.2S53S53-W65 WeakPolarHBondContact CB-O 3.27Å; S53-W65 PolarHBondContact OG-O 3.25Å
66W87.4Confident89.6Confident170 Ų17073.3 Ų73.364%0.64437%0.374SS*.  trans-153.5151.3-179.157.680.7000110.3T51 Y52T51-W66 HydrophobicContact CG2-CB 3.68Å; T51-W66 HydrophobicContact CG2-CG 3.94Å; Y52-W66 CarbonylContact O-C 3.6Å; Y52-W66 WeakPolarHBondContact O-CA 3.31Å; Y52-W66 WeakPolarHBondContact O-CB 3.19Å
67V85.9Confident89.7Confident8 Ų868.1 Ų68.15%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-128.9144.2179.3172.60000109.1T51 Y52 T60 E62T51-V67 CarbonylContact C-O 3.48Å; T51-V67 VanDerWaalsContact CA-O 3.26Å; T51-V67 WeakPolarHBondContact CA-O 3.39Å; Y52-V67 HydrophobicContact CD1-CB 4.07Å; Y52-V67 HydrophobicContact CD1-CG1 4.43Å; Y52-V67 WeakPolarHBondContact CD1-O 3.38Å; Y52-V67 HydrophobicContact CE1-CB 3.47Å; Y52-V67 VanDerWaalsContact CE1-CB 3.47Å; Y52-V67 HydrophobicContact CE1-CG1 3.62Å; Y52-V67 HydrophobicContact CE1-CG2 4.48Å; Y52-V67 PolarHBondContact N-O 2.84Å; Y52-V67 PolarHBondContact O-N 3.33Å; T60-V67 HydrophobicContact CG2-CG2 3.89Å; E62-V67 HydrophobicContact CB-CG2 3.77Å; E62-V67 HydrophobicContact CG-CG2 4.17Å
68T91.2Very high89.8Confident62 Ų6270.9 Ų70.938%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-112.1123.6-180-58.60000110.9H49 V50 T51H49-T68 HydrophobicContact CB-CG2 3.91Å; V50-T68 CarbonylContact O-C 3.56Å; V50-T68 VanDerWaalsContact O-CA 3.31Å; V50-T68 WeakPolarHBondContact O-CA 3.48Å; T51-T68 PolarHBondContact OG1-OG1 3.01Å
69I93.3Very high89.8Confident1 Ų174.8 Ų74.81%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-106.1151.3174.461.5176.3000110.1P30 H49 V50 Y52 W76 D78 P80P30-I69 HydrophobicContact CB-CD1 4.14Å; P30-I69 HydrophobicContact CG-CD1 3.88Å; H49-I69 WeakPolarHBondContact CA-O 3.3Å; V50-I69 HydrophobicContact CB-CG1 4.03Å; V50-I69 HydrophobicContact CG1-CG1 4.49Å; V50-I69 PolarHBondContact N-O 3.09Å; V50-I69 WeakPolarHBondContact O-CG1 3.22Å; V50-I69 PolarHBondContact O-N 2.79Å; Y52-I69 HydrophobicContact CD1-CG2 4.48Å; Y52-I69 HydrophobicContact CE1-CG2 4.22Å; I69-W76 HydrophobicContact CB-CE3 4.25Å; I69-W76 HydrophobicContact CD1-CB 4.34Å; I69-W76 HydrophobicContact CD1-CD2 3.76Å; I69-W76 HydrophobicContact CD1-CE3 3.72Å; I69-W76 HydrophobicContact CD1-CG 4.03Å; I69-W76 HydrophobicContact CD1-CZ3 4.34Å; I69-W76 HydrophobicContact CG1-CD2 4.27Å; I69-W76 HydrophobicContact CG1-CE3 3.7Å; I69-W76 HydrophobicContact CG1-CZ3 4.11Å; I69-D78 HydrophobicContact CG2-CB 4.13Å; I69-P80 HydrophobicContact CD1-CB 4.24Å; I69-P80 HydrophobicContact CD1-CG 3.88Å
70V96.7Very high89.9Confident32 Ų3272.8 Ų72.819%0.19436%0.362CS..EExtended strand (participates in β ladder)trans-118.2132.9-176.5-173.30000110.2S48 Q72 W76 S77S48-V70 CarbonylContact O-C 3.58Å; S48-V70 WeakPolarHBondContact O-CA 3.4Å; V70-Q72 HydrophobicContact CG1-CG 4.45Å; V70-Q72 PolarHBondContact O-N 2.89Å; V70-W76 CarbonylContact O-C 3.54Å; V70-S77 PolarHBondContact N-OG 3.1Å; V70-S77 PolarHBondContact O-N 2.72Å
71C96.5Very high90.1Very high0 Ų077.1 Ų77.10%038%0.383CS..EExtended strand (participates in β ladder)trans-72.9123.3172.8177.40000110.2C27 G47 S48 W76C27-C71 HydrophobicContact CB-CB 3.83Å; C27-C71 WeakPolarHBondContact CB-SG 3.35Å; C27-C71 PolarHBondContact N-SG 2.93Å; C27-C71 WeakPolarHBondContact SG-CA 3.45Å; C27-C71 WeakPolarHBondContact SG-CB 3.31Å; C27-C71 CovalentContact SG-SG 2.04Å; C27-C71 PolarHBondContact SG-SG 3.4Å; G47-C71 WeakPolarHBondContact CA-O 3.31Å; G47-C71 PolarHBondContact N-O 3.1Å; S48-C71 PolarHBondContact O-N 3.49Å; C71-W76 HydrophobicContact CB-CE3 4.05Å; C71-W76 HydrophobicContact CB-CH2 4.02Å; C71-W76 HydrophobicContact CB-CZ3 3.67Å
72Q96.6Very high90.6Very high110 Ų11075.4 Ų75.451%0.51437%0.372SS..EExtended strand (participates in β ladder)trans-127.475.3-175.3-63.5-1748.900110.5V70 D75V70-Q72 HydrophobicContact CG1-CG 4.45Å; V70-Q72 PolarHBondContact O-N 2.89Å; Q72-D75 CarbonylContact C-O 3.44Å; Q72-D75 WeakPolarHBondContact CA-O 3.5Å; Q72-D75 PolarHBondContact N-O 2.79Å
73D95.3Very high91.3Very high70 Ų7072 Ų7237%0.37436%0.358SS..THydrogen-bonded Turntrans6659.8166.6-160.324000110.9K24 E25 H46 D75K24-D73 WeakPolarHBondContact CA-OD1 3.47Å; K24-D73 WeakPolarHBondContact CB-OD1 3.02Å; E25-D73 PolarHBondContact N-OD1 2.81Å; E25-D73 CarbonylContact O-C 3.54Å; E25-D73 WeakPolarHBondContact O-CA 3.24Å; H46-D73 PolarHBondContact ND1-N 2.94Å; D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.78Å
74G94.8Very high92.4Very high22 Ų2266.4 Ų66.423%0.22734%0.337CS..THydrogen-bonded Turntrans89.6-27.4-175.300000114.5E25E25-G74 PolarHBondContact O-N 3.42Å
75D96.2Very high93Very high120 Ų12068.9 Ų68.964%0.64234%0.335SS*.EExtended strand (participates in β ladder)trans-111.8145-175.1-71.4-50.8000113.5C27 Q72 D73C27-D75 PolarHBondContact SG-O 2.9Å; Q72-D75 CarbonylContact C-O 3.44Å; Q72-D75 WeakPolarHBondContact CA-O 3.5Å; Q72-D75 PolarHBondContact N-O 2.79Å; D73-D75 VanDerWaalsContact C-N 3.29Å; D73-D75 PolarHBondContact O-N 2.78Å
76W96.4Very high93.5Very high48 Ų4862.7 Ų62.718%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-77.2144.9171.8-68.3106.6000111.2C27 S28 P30 Y44 V50 I69 V70 C71 D78C27-W76 HydrophobicContact CB-CD2 4.17Å; C27-W76 HydrophobicContact CB-CH2 4.25Å; C27-W76 HydrophobicContact CB-CZ2 3.65Å; S28-W76 WeakPolarHBondContact O-CZ2 3.49Å; S28-W76 PolarHBondContact O-NE1 2.94Å; P30-W76 HydrophobicContact CG-CD2 4.5Å; P30-W76 HydrophobicContact CG-CZ2 3.84Å; Y44-W76 HydrophobicContact CD1-CH2 4.07Å; Y44-W76 AromaticContact CD2-CH2 3.76Å; Y44-W76 HydrophobicContact CD2-CH2 3.76Å; Y44-W76 AromaticContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CD2-CZ2 3.55Å; Y44-W76 HydrophobicContact CE2-CH2 4.41Å; Y44-W76 HydrophobicContact CE2-CZ2 4.12Å; Y44-W76 AromaticContact CG-CH2 3.57Å; Y44-W76 HydrophobicContact CG-CH2 3.57Å; Y44-W76 AromaticContact CG-CZ2 3.87Å; Y44-W76 HydrophobicContact CG-CZ2 3.87Å; V50-W76 HydrophobicContact CB-CH2 4.08Å; V50-W76 HydrophobicContact CB-CZ3 4.06Å; V50-W76 HydrophobicContact CG2-CH2 3.39Å; V50-W76 HydrophobicContact CG2-CZ2 4.34Å; V50-W76 HydrophobicContact CG2-CZ3 3.76Å; I69-W76 HydrophobicContact CB-CE3 4.25Å; I69-W76 HydrophobicContact CD1-CB 4.34Å; I69-W76 HydrophobicContact CD1-CD2 3.76Å; I69-W76 HydrophobicContact CD1-CE3 3.72Å; I69-W76 HydrophobicContact CD1-CG 4.03Å; I69-W76 HydrophobicContact CD1-CZ3 4.34Å; I69-W76 HydrophobicContact CG1-CD2 4.27Å; I69-W76 HydrophobicContact CG1-CE3 3.7Å; I69-W76 HydrophobicContact CG1-CZ3 4.11Å; V70-W76 CarbonylContact O-C 3.54Å; C71-W76 HydrophobicContact CB-CE3 4.05Å; C71-W76 HydrophobicContact CB-CH2 4.02Å; C71-W76 HydrophobicContact CB-CZ3 3.67Å; W76-D78 WeakPolarHBondContact CB-O 3.38Å; W76-D78 PolarHBondContact O-N 3.17Å
77S94.8Very high93.6Very high36 Ų3657.8 Ų57.825%0.25231%0.31SS..SBendtrans-54.8-37.1177.7660000112.3V70V70-S77 PolarHBondContact N-OG 3.1Å; V70-S77 PolarHBondContact O-N 2.72Å
78D92.6Very high93.7Very high86 Ų8658.3 Ų58.346%0.4631%0.314SS..SBendtrans-146154.8179.7-58.6-79.4000109.4I69 W76 P80I69-D78 HydrophobicContact CG2-CB 4.13Å; W76-D78 WeakPolarHBondContact CB-O 3.38Å; W76-D78 PolarHBondContact O-N 3.17Å; D78-P80 WeakPolarHBondContact O-CD 3.3Å
79K93.7Very high93.5Very high158 Ų15857.1 Ų57.169%0.68731%0.305SS*.  trans-84.1116.8176-175.4-174.2178-169.30109.3E81K79-E81 PolarHBondContact O-N 2.81Å
80P93.4Very high92.9Very high9 Ų961.4 Ų61.46%0.05833%0.333CS..  trans-70131.9178.630.2-34.5000110.4P30 L32 Y52 I69 D78P30-P80 HydrophobicContact CB-CG 3.61Å; L32-P80 HydrophobicContact CD1-CB 4.19Å; Y52-P80 HydrophobicContact CD1-CB 3.51Å; Y52-P80 HydrophobicContact CD2-CB 4.17Å; Y52-P80 HydrophobicContact CE1-CB 3.42Å; Y52-P80 VanDerWaalsContact CE1-CB 3.42Å; Y52-P80 HydrophobicContact CE2-CB 4.1Å; Y52-P80 HydrophobicContact CG-CB 3.89Å; I69-P80 HydrophobicContact CD1-CB 4.24Å; I69-P80 HydrophobicContact CD1-CG 3.88Å; D78-P80 WeakPolarHBondContact O-CD 3.3Å
81E95.3Very high92.2Very high96 Ų9660.9 Ų60.945%0.44933%0.33SS..  trans-145.2140.8-178.3-173.6167.5-168.300111.2Y52 T61 K79 V83Y52-E81 PolarHBondContact OH-N 2.98Å; Y52-E81 PolarHBondContact OH-O 2.93Å; T61-E81 HydrophobicContact CG2-CB 3.94Å; T61-E81 HydrophobicContact CG2-CG 4.18Å; K79-E81 PolarHBondContact O-N 2.81Å; E81-V83 HydrophobicContact CG-CG1 4.3Å
82C95Very high91.3Very high14 Ų1466.9 Ų66.910%0.09537%0.366CS..EExtended strand (participates in β ladder)trans-115.5124.1174.3-72.10000109.5L32 K33 C54 K59L32-C82 HydrophobicContact CD1-CB 4.49Å; K33-C82 WeakPolarHBondContact O-CB 3.33Å; C54-C82 WeakPolarHBondContact CA-SG 3.31Å; C54-C82 HydrophobicContact CB-CB 3.79Å; C54-C82 WeakPolarHBondContact CB-SG 3.45Å; C54-C82 WeakPolarHBondContact SG-CA 3.24Å; C54-C82 WeakPolarHBondContact SG-CB 3.48Å; C54-C82 CovalentContact SG-SG 2.04Å; C54-C82 PolarHBondContact SG-SG 3.4Å; K59-C82 WeakPolarHBondContact O-CA 3.4Å
83V94.8Very high90.4Very high26 Ų2662.4 Ų62.416%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-113.1154.3-179.5-61.60000110.4Y58 K59 T61 E81 V87 L89Y58-V83 CarbonylContact C-O 3.51Å; Y58-V83 WeakPolarHBondContact CA-O 3.42Å; K59-V83 HydrophobicContact CG-CG2 3.98Å; K59-V83 PolarHBondContact N-O 3.32Å; K59-V83 PolarHBondContact O-N 3.3Å; T61-V83 HydrophobicContact CG2-CG1 3.94Å; E81-V83 HydrophobicContact CG-CG1 4.3Å; V83-V87 HydrophobicContact CG2-CB 4.39Å; V83-L89 HydrophobicContact CG2-CD2 4.02Å
84V94.9Very high89.6Confident68 Ų6863 Ų6341%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-60.3140.3177.6-175.30000109.6Y58 T86 V87Y58-V84 HydrophobicContact CD1-CG2 4.29Å; Y58-V84 HydrophobicContact CE1-CG2 3.83Å; V84-T86 PolarHBondContact O-N 2.71Å; V84-V87 HydrophobicContact CB-CG2 4.47Å; V84-V87 WeakPolarHBondContact O-CB 3.26Å; V84-V87 PolarHBondContact O-N 2.91Å
85E89.9Confident89.1Confident98 Ų9865.1 Ų65.146%0.45836%0.36SS..THydrogen-bonded Turntrans-55.4-27-175.3-77.9171.8-163.100114.3G57 K59 V87 G128G57-E85 WeakPolarHBondContact CA-OE1 3.43Å; G57-E85 PolarHBondContact N-OE1 2.97Å; G57-E85 VanDerWaalsContact N-OE1 3.17Å; G57-E85 PolarHBondContact O-N 3.38Å; G57-E85 VanDerWaalsContact O-N 3.08Å; K59-E85 HydrophobicContact CB-CG 4.37Å; K59-E85 WeakPolarHBondContact CE-O 3.46Å; K59-E85 PolarHBondContact NZ-O 2.04Å; E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.18Å; E85-G128 WeakPolarHBondContact O-CA 3.16Å
86T89.1Confident88.7Confident83 Ų8360.1 Ų60.151%0.50934%0.336SS..THydrogen-bonded Turntrans-76-6.4179.158.20000114.6V84 S127 G128V84-T86 PolarHBondContact O-N 2.71Å; T86-S127 CarbonylContact O-C 3.52Å; T86-G128 VanDerWaalsContact C-CA 3.41Å; T86-G128 WeakPolarHBondContact O-CA 3.41Å; T86-G128 PolarHBondContact O-N 2.8Å
87V89.9Confident88.4Confident67 Ų6764.7 Ų64.741%0.40636%0.357SS..SBendtrans-79.2129173.7176.60000109.3K59 V83 V84 E85K59-V87 WeakPolarHBondContact CE-O 3.28Å; K59-V87 PolarHBondContact NZ-O 2.81Å; V83-V87 HydrophobicContact CG2-CB 4.39Å; V84-V87 HydrophobicContact CB-CG2 4.47Å; V84-V87 WeakPolarHBondContact O-CB 3.26Å; V84-V87 PolarHBondContact O-N 2.91Å; E85-V87 VanDerWaalsContact C-N 3.27Å; E85-V87 PolarHBondContact O-N 3.18Å
88C88.2Confident88.4Confident19 Ų1966.7 Ų66.713%0.12836%0.362CS..PPolyproline II helixtrans-81.9121.6172.1-62.60000110.5C125 G128 T129 W130C88-C125 HydrophobicContact CB-CB 3.71Å; C88-C125 WeakPolarHBondContact CB-SG 3.48Å; C88-C125 VanDerWaalsContact SG-CA 3.51Å; C88-C125 WeakPolarHBondContact SG-CB 3.37Å; C88-C125 CovalentContact SG-SG 2.01Å; C88-C125 PolarHBondContact SG-SG 2.7Å; C88-G128 VanDerWaalsContact SG-CA 3.53Å; C88-T129 PolarHBondContact SG-N 3.48Å; C88-T129 VanDerWaalsContact SG-N 3.38Å; C88-W130 HydrophobicContact CB-CD2 3.95Å; C88-W130 HydrophobicContact CB-CG 4.42Å; C88-W130 HydrophobicContact CB-CH2 4.09Å; C88-W130 HydrophobicContact CB-CZ2 3.44Å; C88-W130 VanDerWaalsContact CB-CZ2 3.44Å
89L85.4Confident88.5Confident36 Ų3668.8 Ų68.819%0.18837%0.367CS..PPolyproline II helixtrans-75.8141172.5-58.1173.5000109T60 V83 W130T60-L89 VanDerWaalsContact O-CD1 3.27Å; T60-L89 WeakPolarHBondContact O-CD1 3.27Å; V83-L89 HydrophobicContact CG2-CD2 4.02Å; L89-W130 PolarHBondContact O-NE1 2.93Å
90P82.1Confident88.5Confident92 Ų9267.5 Ų67.560%0.59736%0.363SS*.PPolyproline II helixtrans-53.6128.9179-25.734000112.2F98P90-F98 HydrophobicContact CB-CE1 4.26Å; P90-F98 HydrophobicContact CB-CE2 4.49Å; P90-F98 HydrophobicContact CB-CZ 3.68Å
91P81.4Confident88.5Confident20 Ų2069.1 Ų69.113%0.1337%0.371CS..PPolyproline II helixtrans-77.8152-17832.4-31.9000110.7I93 L106 V133P91-I93 HydrophobicContact CG-CG1 4.4Å; P91-L106 HydrophobicContact CG-CD1 3.79Å; P91-V133 HydrophobicContact CB-CG1 4.33Å; P91-V133 HydrophobicContact CB-CG2 4.32Å; P91-V133 HydrophobicContact CG-CG1 4.4Å
92V77.9Confident88.3Confident127 Ų12774.7 Ų74.777%0.7740%0.397SS*.PPolyproline II helixtrans-79.4126.1167.5-179.30000108.8P94V92-P94 WeakPolarHBondContact O-CD 3.45Å
93I77.8Confident88.1Confident15 Ų1579.9 Ų79.98%0.07742%0.424CS..  trans-115.897179.6-51.9-175.7000108.9P91 N95 G96 F98 I108 V133P91-I93 HydrophobicContact CG-CG1 4.4Å; I93-N95 PolarHBondContact O-N 3.35Å; I93-G96 PolarHBondContact O-N 2.86Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-G96 VanDerWaalsContact O-O 3.14Å; I93-F98 HydrophobicContact CD1-CB 3.95Å; I93-F98 HydrophobicContact CD1-CD1 3.78Å; I93-F98 HydrophobicContact CD1-CG 4.31Å; I93-F98 HydrophobicContact CG1-CD1 4.36Å; I93-I108 HydrophobicContact CD1-CD1 3.29Å; I93-I108 HydrophobicContact CD1-CG1 4.08Å; I93-I108 HydrophobicContact CD1-CG2 3.93Å; I93-I108 HydrophobicContact CG2-CG2 4Å; I93-V133 HydrophobicContact CG1-CG1 4.45Å
94P77.4Confident87.7Confident84 Ų8479.9 Ų79.955%0.54543%0.43SS..THydrogen-bonded Turntrans-56130.3176.5-24.334000110.6V92 G96 C136V92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-G96 PolarHBondContact O-N 3Å; P94-G96 VanDerWaalsContact O-N 3.17Å; P94-C136 WeakPolarHBondContact O-CB 3.48Å
95N84Confident87.6Confident66 Ų6676.9 Ų76.935%0.35341%0.411SS..THydrogen-bonded Turntrans57.225.6-179.1-52.9-52.1000114.8I93 N111 Y114 C136I93-N95 PolarHBondContact O-N 3.35Å; N95-N111 VanDerWaalsContact C-ND2 3.28Å; N95-N111 WeakPolarHBondContact CA-ND2 3.46Å; N95-N111 WeakPolarHBondContact O-CB 3.41Å; N95-N111 PolarHBondContact O-N 3.34Å; N95-Y114 HydrophobicContact CB-CD1 3.51Å; N95-Y114 HydrophobicContact CB-CD2 3.91Å; N95-Y114 HydrophobicContact CB-CE1 3.61Å; N95-Y114 HydrophobicContact CB-CE2 3.97Å; N95-Y114 HydrophobicContact CB-CG 3.7Å; N95-Y114 VanDerWaalsContact CG-CZ 3.41Å; N95-Y114 VanDerWaalsContact ND2-CE1 3.25Å; N95-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; N95-C136 HydrophobicContact CB-CB 4.11Å; N95-C136 WeakPolarHBondContact O-CB 3.16Å
96G88.6Confident87.8Confident14 Ų1472.3 Ų72.314%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-146.4175.3176.700000112.7I93 P94 N109I93-G96 PolarHBondContact O-N 2.86Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-G96 VanDerWaalsContact O-O 3.14Å; P94-G96 PolarHBondContact O-N 3Å; P94-G96 VanDerWaalsContact O-N 3.17Å; G96-N109 CarbonylContact C-O 3.59Å; G96-N109 WeakPolarHBondContact CA-O 3.14Å
97K91.1Very high88.1Confident144 Ų14471.2 Ų71.263%0.62638%0.379SS*.EExtended strand (participates in β ladder)trans-136166.3174.6-61.2-177.6-175.7179.80107.8N109K97-N109 PolarHBondContact N-O 2.88Å; K97-N109 PolarHBondContact O-N 3.17Å
98F93.1Very high88Confident79 Ų7968.2 Ų68.235%0.34636%0.361SS..EExtended strand (participates in β ladder)trans-132.6153.8172.762.8-95.2000111.2P90 I93 L106 E107 I108P90-F98 HydrophobicContact CB-CE1 4.26Å; P90-F98 HydrophobicContact CB-CE2 4.49Å; P90-F98 HydrophobicContact CB-CZ 3.68Å; I93-F98 HydrophobicContact CD1-CB 3.95Å; I93-F98 HydrophobicContact CD1-CD1 3.78Å; I93-F98 HydrophobicContact CD1-CG 4.31Å; I93-F98 HydrophobicContact CG1-CD1 4.36Å; F98-L106 HydrophobicContact CB-CB 4.22Å; F98-L106 HydrophobicContact CD2-CB 4.49Å; F98-L106 HydrophobicContact CD2-CD1 3.99Å; F98-L106 HydrophobicContact CD2-CD2 3.7Å; F98-L106 HydrophobicContact CD2-CG 4.26Å; F98-L106 HydrophobicContact CE2-CD1 4.35Å; F98-L106 HydrophobicContact CE2-CD2 4.09Å; F98-L106 HydrophobicContact CG-CD1 4.09Å; F98-L106 HydrophobicContact CG-CD2 4.49Å; F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.03Å; F98-I108 HydrophobicContact CB-CD1 3.7Å
99K94.7Very high88.3Confident130 Ų13071 Ų7157%0.56538%0.375SS*.EExtended strand (participates in β ladder)trans-113.3130.4166.3-178.8-174.3171.9-165.60108.2E107K99-E107 PolarHBondContact N-O 2.85Å; K99-E107 PolarHBondContact O-N 2.89Å
100Q93.9Very high88.6Confident131 Ų13171 Ų7161%0.61238%0.377SS*.EExtended strand (participates in β ladder)trans-80.4130.5174.4-169.4170.126.500110.5L106Q100-L106 HydrophobicContact CB-CD2 3.89Å; Q100-L106 HydrophobicContact CG-CD2 3.89Å
101N92.9Very high89Confident43 Ų4369.5 Ų69.523%0.2336%0.364CS..  trans-86.8162.2175.4-70.2-36000111.3N103 G104 S105N101-N103 WeakPolarHBondContact CB-OD1 3.43Å; N101-N103 PolarHBondContact O-N 2.65Å; N101-G104 PolarHBondContact O-N 3.29Å; N101-S105 WeakPolarHBondContact CB-O 3.48Å; N101-S105 PolarHBondContact N-O 3.05Å; N101-S105 PolarHBondContact ND2-OG 2.93Å
102Q91.9Very high89.4Confident213 Ų21372 Ų72100%0.99539%0.386SS*.THydrogen-bonded Turntrans-62-29.4-179.2-67-178-8.400113.3G104Q102-G104 PolarHBondContact O-N 3.37Å
103N89.9Confident90Very high123 Ų12366 Ų6666%0.65835%0.35SS*.THydrogen-bonded Turntrans-79.72.7175.666.3-6.1000113.2N101 S105N101-N103 WeakPolarHBondContact CB-OD1 3.43Å; N101-N103 PolarHBondContact O-N 2.65Å; N103-S105 VanDerWaalsContact C-N 3.33Å; N103-S105 WeakPolarHBondContact OD1-CB 3.15Å; N103-S105 PolarHBondContact OD1-N 3.26Å; N103-S105 PolarHBondContact OD1-OG 2.83Å
104G88.1Confident90.6Very high26 Ų2667.3 Ų67.327%0.26835%0.354SS..SBendtrans84.5-3.8-177.900000115N101 Q102N101-G104 PolarHBondContact O-N 3.29Å; Q102-G104 PolarHBondContact O-N 3.37Å
105S92.5Very high91.2Very high4 Ų464.4 Ų64.43%0.02834%0.336CS..  trans-72.2158.1173.579.90000111.5N101 N103 V123N101-S105 WeakPolarHBondContact CB-O 3.48Å; N101-S105 PolarHBondContact N-O 3.05Å; N101-S105 PolarHBondContact ND2-OG 2.93Å; N103-S105 VanDerWaalsContact C-N 3.33Å; N103-S105 WeakPolarHBondContact OD1-CB 3.15Å; N103-S105 PolarHBondContact OD1-N 3.26Å; N103-S105 PolarHBondContact OD1-OG 2.83Å; S105-V123 CarbonylContact C-O 3.59Å; S105-V123 VanDerWaalsContact CA-O 3.3Å; S105-V123 WeakPolarHBondContact CA-O 3.04Å; S105-V123 VanDerWaalsContact CB-O 3.3Å; S105-V123 WeakPolarHBondContact CB-O 3.47Å
106L93.4Very high91.4Very high2 Ų262.4 Ų62.41%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-106.7130.2175.4-55.7-175.2000109.5P91 F98 Q100 I108 I122 V123 W130P91-L106 HydrophobicContact CG-CD1 3.79Å; F98-L106 HydrophobicContact CB-CB 4.22Å; F98-L106 HydrophobicContact CD2-CB 4.49Å; F98-L106 HydrophobicContact CD2-CD1 3.99Å; F98-L106 HydrophobicContact CD2-CD2 3.7Å; F98-L106 HydrophobicContact CD2-CG 4.26Å; F98-L106 HydrophobicContact CE2-CD1 4.35Å; F98-L106 HydrophobicContact CE2-CD2 4.09Å; F98-L106 HydrophobicContact CG-CD1 4.09Å; F98-L106 HydrophobicContact CG-CD2 4.49Å; Q100-L106 HydrophobicContact CB-CD2 3.89Å; Q100-L106 HydrophobicContact CG-CD2 3.89Å; L106-I108 HydrophobicContact CB-CD1 3.99Å; L106-I122 CarbonylContact O-C 3.56Å; L106-I122 WeakPolarHBondContact O-CA 3.38Å; L106-V123 HydrophobicContact CB-CB 4.42Å; L106-V123 PolarHBondContact N-O 3.27Å; L106-V123 PolarHBondContact O-N 3.23Å; L106-W130 HydrophobicContact CD1-CD2 4.36Å; L106-W130 HydrophobicContact CD1-CE3 4.31Å; L106-W130 HydrophobicContact CD1-CH2 3.62Å; L106-W130 HydrophobicContact CD1-CZ2 3.64Å; L106-W130 HydrophobicContact CD1-CZ3 3.95Å; L106-W130 HydrophobicContact CD2-CH2 3.91Å; L106-W130 HydrophobicContact CD2-CZ2 4.49Å; L106-W130 HydrophobicContact CD2-CZ3 4.45Å; L106-W130 HydrophobicContact CG-CE3 4.34Å; L106-W130 HydrophobicContact CG-CH2 3.47Å; L106-W130 VanDerWaalsContact CG-CH2 3.47Å; L106-W130 HydrophobicContact CG-CZ2 4.04Å; L106-W130 HydrophobicContact CG-CZ3 3.63Å
107E94.8Very high91.1Very high61 Ų6165.5 Ų65.529%0.28534%0.338SS..EExtended strand (participates in β ladder)trans-96.4120.3167.7-172.3-177171.700108.9F98 K99 N121F98-E107 CarbonylContact C-O 3.57Å; F98-E107 WeakPolarHBondContact CA-O 3.03Å; K99-E107 PolarHBondContact N-O 2.85Å; K99-E107 PolarHBondContact O-N 2.89Å; E107-N121 CarbonylContact C-O 3.57Å; E107-N121 WeakPolarHBondContact CA-O 3.37Å
108I89.6Confident90.6Very high3 Ų362.6 Ų62.62%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-90.8130.7-175.4-48.5-42000110.4I93 F98 L106 L116 N121 V123 P134I93-I108 HydrophobicContact CD1-CD1 3.29Å; I93-I108 HydrophobicContact CD1-CG1 4.08Å; I93-I108 HydrophobicContact CD1-CG2 3.93Å; I93-I108 HydrophobicContact CG2-CG2 4Å; F98-I108 HydrophobicContact CB-CD1 3.7Å; L106-I108 HydrophobicContact CB-CD1 3.99Å; I108-L116 HydrophobicContact CG2-CD2 4.17Å; I108-N121 PolarHBondContact N-O 3.44Å; I108-V123 HydrophobicContact CD1-CG2 3.95Å; I108-V123 HydrophobicContact CG1-CG2 3.76Å; I108-P134 HydrophobicContact CB-CG 4.24Å; I108-P134 HydrophobicContact CG1-CG 3.82Å; I108-P134 HydrophobicContact CG2-CG 4.32Å
109N93.6Very high90.1Very high79 Ų7962.5 Ų62.542%0.42235%0.35SS..EExtended strand (participates in β ladder)trans-123.3118.8175.2-57.2104.8000109.4G96 K97G96-N109 CarbonylContact C-O 3.59Å; G96-N109 WeakPolarHBondContact CA-O 3.14Å; K97-N109 PolarHBondContact N-O 2.88Å; K97-N109 PolarHBondContact O-N 3.17Å
110C92Very high89.6Confident35 Ų3561.5 Ų61.524%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-75.1149.1176.4-62.70000112.1Y114 L116 C136C110-Y114 WeakPolarHBondContact CB-O 3.19Å; C110-L116 VanDerWaalsContact SG-CD2 3.58Å; C110-C136 WeakPolarHBondContact CA-SG 3.43Å; C110-C136 HydrophobicContact CB-CB 3.72Å; C110-C136 WeakPolarHBondContact CB-SG 3.02Å; C110-C136 VanDerWaalsContact SG-CA 3.56Å; C110-C136 WeakPolarHBondContact SG-CB 3.03Å; C110-C136 CovalentContact SG-SG 2.04Å; C110-C136 PolarHBondContact SG-SG 3.38Å
111N90.3Very high89.4Confident61 Ų6157.9 Ų57.933%0.32634%0.336SS..PPolyproline II helixtrans-65.9162.3172.4-66.5-23.7000110.5N95 G113 Y114N95-N111 VanDerWaalsContact C-ND2 3.28Å; N95-N111 WeakPolarHBondContact CA-ND2 3.46Å; N95-N111 WeakPolarHBondContact O-CB 3.41Å; N95-N111 PolarHBondContact O-N 3.34Å; N111-G113 PolarHBondContact O-N 2.76Å; N111-Y114 HydrophobicContact CB-CD2 4.3Å; N111-Y114 WeakPolarHBondContact O-CB 3.49Å; N111-Y114 PolarHBondContact O-N 3Å
112A90.6Very high89.4Confident71 Ų7159.3 Ų59.359%0.58734%0.343SS*.THydrogen-bonded Turntrans-53.8133.8179.800000112Y114 D163A112-Y114 VanDerWaalsContact C-N 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.48Å; A112-Y114 PolarHBondContact O-N 2.04Å; A112-D163 HydrophobicContact CB-CB 4.39Å
113G89.3Confident89.3Confident2 Ų249.2 Ų49.22%0.02130%0.296CS..THydrogen-bonded Turntrans80.51.5-175.700000115.2N111 H139 A142N111-G113 PolarHBondContact O-N 2.76Å; G113-H139 WeakPolarHBondContact O-CB 3.01Å; G113-H139 PolarHBondContact O-N 2.78Å; G113-A142 VanDerWaalsContact O-CB 3.3Å; G113-A142 WeakPolarHBondContact O-CB 3.43Å
114Y91.1Very high89.4Confident43 Ų4347.6 Ų47.617%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-118.3156.3174.9-62.9-98.7000112.2N95 C110 N111 A112 C136 Q137 K138 V161N95-Y114 HydrophobicContact CB-CD1 3.51Å; N95-Y114 HydrophobicContact CB-CD2 3.91Å; N95-Y114 HydrophobicContact CB-CE1 3.61Å; N95-Y114 HydrophobicContact CB-CE2 3.97Å; N95-Y114 HydrophobicContact CB-CG 3.7Å; N95-Y114 VanDerWaalsContact CG-CZ 3.41Å; N95-Y114 VanDerWaalsContact ND2-CE1 3.25Å; N95-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; C110-Y114 WeakPolarHBondContact CB-O 3.19Å; N111-Y114 HydrophobicContact CB-CD2 4.3Å; N111-Y114 WeakPolarHBondContact O-CB 3.49Å; N111-Y114 PolarHBondContact O-N 3Å; A112-Y114 VanDerWaalsContact C-N 3.28Å; A112-Y114 WeakPolarHBondContact O-CD2 3.48Å; A112-Y114 PolarHBondContact O-N 2.04Å; Y114-C136 WeakPolarHBondContact CD1-O 3.48Å; Y114-Q137 CarbonylContact C-O 3.41Å; Y114-Q137 WeakPolarHBondContact CA-O 3.42Å; Y114-Q137 WeakPolarHBondContact CB-O 3.38Å; Y114-Q137 VanDerWaalsContact CD1-C 3.43Å; Y114-K138 HydrophobicContact CE1-CB 4.46Å; Y114-V161 HydrophobicContact CE1-CG2 4.45Å; Y114-V161 HydrophobicContact CE2-CB 3.87Å; Y114-V161 HydrophobicContact CE2-CG1 4.14Å; Y114-V161 HydrophobicContact CE2-CG2 4.14Å; Y114-V161 VanDerWaalsContact OH-CG2 3.28Å; Y114-V161 WeakPolarHBondContact OH-CG2 3.2Å
115S90.4Very high89.5Confident22 Ų2248.8 Ų48.815%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-152.6159.5-178.151.70000112.5N117 Q137 H139S115-N117 PolarHBondContact O-N 3.45Å; S115-N117 PolarHBondContact OG-OD1 3.09Å; S115-Q137 PolarHBondContact N-O 2.98Å; S115-Q137 PolarHBondContact O-N 3.36Å; S115-H139 WeakPolarHBondContact OG-CA 3.48Å; S115-H139 WeakPolarHBondContact OG-CB 3.48Å; S115-H139 PolarHBondContact OG-CD2 3.34Å; S115-H139 VanDerWaalsContact OG-CD2 3.23Å
116L86.4Confident89.4Confident25 Ų2553.7 Ų53.713%0.13131%0.31CS..  trans-79-3.7176.9-61.4172.7000113.4I108 C110 G118 Q119 N121 P134I108-L116 HydrophobicContact CG2-CD2 4.17Å; C110-L116 VanDerWaalsContact SG-CD2 3.58Å; L116-G118 PolarHBondContact O-N 2.86Å; L116-Q119 HydrophobicContact CB-CB 4.24Å; L116-Q119 VanDerWaalsContact O-CB 3.29Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.01Å; L116-Q119 PolarHBondContact O-N 3.05Å; L116-N121 HydrophobicContact CD1-CB 3.35Å; L116-P134 HydrophobicContact CD2-CB 3.69Å; L116-P134 HydrophobicContact CD2-CG 3.71Å
117N84.1Confident89.1Confident78 Ų7858.5 Ų58.542%0.41734%0.344SS..THydrogen-bonded Turntrans47.638.3177.6-69.8-7.4000114.5S115 Q137S115-N117 PolarHBondContact O-N 3.45Å; S115-N117 PolarHBondContact OG-OD1 3.09Å; N117-Q137 PolarHBondContact ND2-OE1 2.88Å
118G80.6Confident88.6Confident84 Ų8456.3 Ų56.387%0.86634%0.338SS*.THydrogen-bonded Turntrans91.22.617900000115.3L116L116-G118 PolarHBondContact O-N 2.86Å
119Q81.1Confident88.2Confident76 Ų7660.8 Ų60.836%0.35537%0.365SS..  trans-72.1152.9168.2-63.3178.4-2100111.2L116 P134L116-Q119 HydrophobicContact CB-CB 4.24Å; L116-Q119 VanDerWaalsContact O-CB 3.29Å; L116-Q119 WeakPolarHBondContact O-CB 3.13Å; L116-Q119 WeakPolarHBondContact O-CG 3.01Å; L116-Q119 PolarHBondContact O-N 3.05Å; Q119-P134 HydrophobicContact CB-CB 4.02Å
120D84.8Confident87.9Confident110 Ų11059 Ų5959%0.58835%0.353SS*.  trans-62.7139.6173.1-161.1-17.1000110I122D120-I122 PolarHBondContact OD1-N 3.32Å
121N90.6Very high87.5Confident54 Ų5459.4 Ų59.429%0.28936%0.356SS..SBendtrans-92.1-4.5177.573.7-40.3000112.4E107 I108 L116E107-N121 CarbonylContact C-O 3.57Å; E107-N121 WeakPolarHBondContact CA-O 3.37Å; I108-N121 PolarHBondContact N-O 3.44Å; L116-N121 HydrophobicContact CD1-CB 3.35Å
122I91.8Very high87Confident73 Ų7361.1 Ų61.137%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-101.9128.9178.1-59.6177.2000110.3L106 D120L106-I122 CarbonylContact O-C 3.56Å; L106-I122 WeakPolarHBondContact O-CA 3.38Å; D120-I122 PolarHBondContact OD1-N 3.32Å
123V90.3Very high86.4Confident1 Ų160.5 Ų60.51%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-120.6131.7176.6-170.50000109.4S105 L106 I108 W130 S131 V133 P134S105-V123 CarbonylContact C-O 3.59Å; S105-V123 VanDerWaalsContact CA-O 3.3Å; S105-V123 WeakPolarHBondContact CA-O 3.04Å; S105-V123 VanDerWaalsContact CB-O 3.3Å; S105-V123 WeakPolarHBondContact CB-O 3.47Å; L106-V123 HydrophobicContact CB-CB 4.42Å; L106-V123 PolarHBondContact N-O 3.27Å; L106-V123 PolarHBondContact O-N 3.23Å; I108-V123 HydrophobicContact CD1-CG2 3.95Å; I108-V123 HydrophobicContact CG1-CG2 3.76Å; V123-W130 HydrophobicContact CG1-CB 3.84Å; V123-W130 HydrophobicContact CG1-CD2 4.32Å; V123-W130 HydrophobicContact CG1-CE3 3.89Å; V123-W130 HydrophobicContact CG1-CG 4.34Å; V123-S131 WeakPolarHBondContact CG1-O 3.47Å; V123-S131 WeakPolarHBondContact CG1-OG 3.49Å; V123-V133 HydrophobicContact CG1-CG2 4.03Å; V123-P134 VanDerWaalsContact CG2-CD 3.48Å; V123-P134 HydrophobicContact CG2-CG 4.44Å
124E92.1Very high85.9Confident90 Ų9060.9 Ų60.942%0.42137%0.369SS..  trans-111.8143.9-175.6-62.6-175.4153.600111.2H126 W130 S131E124-H126 WeakPolarHBondContact CB-NE2 3.45Å; E124-H126 IonicContact OE2-CE1 3.6Å; E124-H126 IonicContact OE2-NE2 3.42Å; E124-H126 PolarHBondContact OE2-NE2 3.48Å; E124-W130 VanDerWaalsContact C-CE3 3.48Å; E124-W130 CarbonylContact O-C 3.52Å; E124-W130 WeakPolarHBondContact O-CA 3.45Å; E124-S131 PolarHBondContact N-OG 2.79Å; E124-S131 PolarHBondContact O-N 2.78Å
125C91.1Very high85.3Confident50 Ų5063.7 Ų63.734%0.33838%0.383SS..EExtended strand (participates in β ladder)trans-92.2122.9175.2173.20000110.2C88 W130C88-C125 HydrophobicContact CB-CB 3.71Å; C88-C125 WeakPolarHBondContact CB-SG 3.48Å; C88-C125 VanDerWaalsContact SG-CA 3.51Å; C88-C125 WeakPolarHBondContact SG-CB 3.37Å; C88-C125 CovalentContact SG-SG 2.01Å; C88-C125 PolarHBondContact SG-SG 2.7Å; C125-W130 HydrophobicContact CB-CD2 4.4Å; C125-W130 HydrophobicContact CB-CE3 3.79Å; C125-W130 HydrophobicContact CB-CH2 3.88Å; C125-W130 HydrophobicContact CB-CZ2 4.5Å; C125-W130 HydrophobicContact CB-CZ3 3.5Å
126H89.2Confident85Confident107 Ų10763 Ų6350%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-124.5107.1175.7-66.1-80.4000109.3E124 G128 T129E124-H126 WeakPolarHBondContact CB-NE2 3.45Å; E124-H126 IonicContact OE2-CE1 3.6Å; E124-H126 IonicContact OE2-NE2 3.42Å; E124-H126 PolarHBondContact OE2-NE2 3.48Å; H126-G128 VanDerWaalsContact C-N 3.32Å; H126-G128 PolarHBondContact O-N 3.45Å; H126-T129 PolarHBondContact N-O 3.21Å; H126-T129 PolarHBondContact O-N 3.18Å
127S87.8Confident84.9Confident104 Ų10465.8 Ų65.873%0.72739%0.39SS*.THydrogen-bonded Turntrans47.947.9176.2-60.10000114.3T86 T129T86-S127 CarbonylContact O-C 3.52Å; S127-T129 VanDerWaalsContact C-N 3.33Å
128G83.1Confident85Confident15 Ų1565.4 Ų65.416%0.15539%0.385CS..THydrogen-bonded Turntrans87.8-0.6175.700000114.7E85 T86 C88 H126E85-G128 WeakPolarHBondContact O-CA 3.16Å; T86-G128 VanDerWaalsContact C-CA 3.41Å; T86-G128 WeakPolarHBondContact O-CA 3.41Å; T86-G128 PolarHBondContact O-N 2.8Å; C88-G128 VanDerWaalsContact SG-CA 3.53Å; H126-G128 VanDerWaalsContact C-N 3.32Å; H126-G128 PolarHBondContact O-N 3.45Å
129T83.1Confident85.3Confident97 Ų9764.2 Ų64.260%0.59536%0.356SS*.EExtended strand (participates in β ladder)trans-119.4127.4177.6-53.60000110.1C88 H126 S127C88-T129 PolarHBondContact SG-N 3.48Å; C88-T129 VanDerWaalsContact SG-N 3.38Å; H126-T129 PolarHBondContact N-O 3.21Å; H126-T129 PolarHBondContact O-N 3.18Å; S127-T129 VanDerWaalsContact C-N 3.33Å
130W86.3Confident85.7Confident41 Ų4165.3 Ų65.316%0.15537%0.37CS..EExtended strand (participates in β ladder)trans-69.9146170.1-67.9109.9000110.7C88 L89 L106 V123 E124 C125 V133C88-W130 HydrophobicContact CB-CD2 3.95Å; C88-W130 HydrophobicContact CB-CG 4.42Å; C88-W130 HydrophobicContact CB-CH2 4.09Å; C88-W130 HydrophobicContact CB-CZ2 3.44Å; C88-W130 VanDerWaalsContact CB-CZ2 3.44Å; L89-W130 PolarHBondContact O-NE1 2.93Å; L106-W130 HydrophobicContact CD1-CD2 4.36Å; L106-W130 HydrophobicContact CD1-CE3 4.31Å; L106-W130 HydrophobicContact CD1-CH2 3.62Å; L106-W130 HydrophobicContact CD1-CZ2 3.64Å; L106-W130 HydrophobicContact CD1-CZ3 3.95Å; L106-W130 HydrophobicContact CD2-CH2 3.91Å; L106-W130 HydrophobicContact CD2-CZ2 4.49Å; L106-W130 HydrophobicContact CD2-CZ3 4.45Å; L106-W130 HydrophobicContact CG-CE3 4.34Å; L106-W130 HydrophobicContact CG-CH2 3.47Å; L106-W130 VanDerWaalsContact CG-CH2 3.47Å; L106-W130 HydrophobicContact CG-CZ2 4.04Å; L106-W130 HydrophobicContact CG-CZ3 3.63Å; V123-W130 HydrophobicContact CG1-CB 3.84Å; V123-W130 HydrophobicContact CG1-CD2 4.32Å; V123-W130 HydrophobicContact CG1-CE3 3.89Å; V123-W130 HydrophobicContact CG1-CG 4.34Å; E124-W130 VanDerWaalsContact C-CE3 3.48Å; E124-W130 CarbonylContact O-C 3.52Å; E124-W130 WeakPolarHBondContact O-CA 3.45Å; C125-W130 HydrophobicContact CB-CD2 4.4Å; C125-W130 HydrophobicContact CB-CE3 3.79Å; C125-W130 HydrophobicContact CB-CH2 3.88Å; C125-W130 HydrophobicContact CB-CZ2 4.5Å; C125-W130 HydrophobicContact CB-CZ3 3.5Å; W130-V133 HydrophobicContact CB-CG2 3.75Å; W130-V133 HydrophobicContact CG-CG2 4.39Å
131S83.5Confident85.9Confident44 Ų4465.1 Ų65.131%0.30836%0.364SS..SBendtrans-60.1176.5162.568.80000110.1V123 E124 V133V123-S131 WeakPolarHBondContact CG1-O 3.47Å; V123-S131 WeakPolarHBondContact CG1-OG 3.49Å; E124-S131 PolarHBondContact N-OG 2.79Å; E124-S131 PolarHBondContact O-N 2.78Å; S131-V133 PolarHBondContact O-N 3.08Å
132A80.8Confident85.9Confident97 Ų9762.6 Ų62.680%0.80235%0.351SS*.  trans-52.2101.2-174.100000112.3P134A132-P134 WeakPolarHBondContact O-CD 3.43Å
133V77.9Confident85.5Confident58 Ų5859.1 Ų59.135%0.35233%0.333SS..PPolyproline II helixtrans-71.6118.9179.5-1750000107.7P91 I93 V123 W130 S131P91-V133 HydrophobicContact CB-CG1 4.33Å; P91-V133 HydrophobicContact CB-CG2 4.32Å; P91-V133 HydrophobicContact CG-CG1 4.4Å; I93-V133 HydrophobicContact CG1-CG1 4.45Å; V123-V133 HydrophobicContact CG1-CG2 4.03Å; W130-V133 HydrophobicContact CB-CG2 3.75Å; W130-V133 HydrophobicContact CG-CG2 4.39Å; S131-V133 PolarHBondContact O-N 3.08Å
134P77.8Confident85.4Confident9 Ų963.6 Ų63.66%0.05836%0.357CS..PPolyproline II helixtrans-75.4157.3-177.833.9-37.7000110.9I108 L116 Q119 V123 A132I108-P134 HydrophobicContact CB-CG 4.24Å; I108-P134 HydrophobicContact CG1-CG 3.82Å; I108-P134 HydrophobicContact CG2-CG 4.32Å; L116-P134 HydrophobicContact CD2-CB 3.69Å; L116-P134 HydrophobicContact CD2-CG 3.71Å; Q119-P134 HydrophobicContact CB-CB 4.02Å; V123-P134 VanDerWaalsContact CG2-CD 3.48Å; V123-P134 HydrophobicContact CG2-CG 4.44Å; A132-P134 WeakPolarHBondContact O-CD 3.43Å
135F78Confident85.1Confident102 Ų10264.2 Ų64.245%0.44736%0.36SS..PPolyproline II helixtrans-103.7135.4174.246.9-105.3000109.4Q137F135-Q137 HydrophobicContact CD2-CG 3.22Å; F135-Q137 HydrophobicContact CE2-CG 3.38Å; F135-Q137 HydrophobicContact CG-CG 4.5Å; F135-Q137 PolarHBondContact O-N 2.78Å
136C84.5Confident84.8Confident8 Ų862.8 Ų62.85%0.05435%0.35CS..  trans-80107.5172.7-72.50000109.2P94 N95 C110 Y114P94-C136 WeakPolarHBondContact O-CB 3.48Å; N95-C136 HydrophobicContact CB-CB 4.11Å; N95-C136 WeakPolarHBondContact O-CB 3.16Å; C110-C136 WeakPolarHBondContact CA-SG 3.43Å; C110-C136 HydrophobicContact CB-CB 3.72Å; C110-C136 WeakPolarHBondContact CB-SG 3.02Å; C110-C136 VanDerWaalsContact SG-CA 3.56Å; C110-C136 WeakPolarHBondContact SG-CB 3.03Å; C110-C136 CovalentContact SG-SG 2.04Å; C110-C136 PolarHBondContact SG-SG 3.38Å; Y114-C136 WeakPolarHBondContact CD1-O 3.48Å
137Q84.4Confident84.5Confident84 Ų8460.1 Ų60.139%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-93.1154177.7-55.4-165.1-43.800110.8Y114 S115 N117 F135 H139Y114-Q137 CarbonylContact C-O 3.41Å; Y114-Q137 WeakPolarHBondContact CA-O 3.42Å; Y114-Q137 WeakPolarHBondContact CB-O 3.38Å; Y114-Q137 VanDerWaalsContact CD1-C 3.43Å; S115-Q137 PolarHBondContact N-O 2.98Å; S115-Q137 PolarHBondContact O-N 3.36Å; N117-Q137 PolarHBondContact ND2-OE1 2.88Å; F135-Q137 HydrophobicContact CD2-CG 3.22Å; F135-Q137 HydrophobicContact CE2-CG 3.38Å; F135-Q137 HydrophobicContact CG-CG 4.5Å; F135-Q137 PolarHBondContact O-N 2.78Å; Q137-H139 PolarHBondContact O-N 2.81Å
138K86.3Confident84.3Confident69 Ų6960.1 Ų60.130%0.335%0.348SS..EExtended strand (participates in β ladder)trans-53.9126.7170-179.1-176.5173.6-161.90109.3Y114 A142 D144 V161Y114-K138 HydrophobicContact CE1-CB 4.46Å; K138-A142 WeakPolarHBondContact CE-O 3.47Å; K138-A142 HydrophobicContact CG-CB 4.18Å; K138-A142 PolarHBondContact NZ-O 2.93Å; K138-D144 WeakPolarHBondContact CE-OD1 3.21Å; K138-D144 IonicContact NZ-OD1 2.71Å; K138-D144 PolarHBondContact NZ-OD1 3.03Å; K138-D144 IonicContact NZ-OD2 2.8Å; K138-D144 PolarHBondContact NZ-OD2 2.87Å; K138-V161 HydrophobicContact CD-CG1 4.39Å; K138-V161 HydrophobicContact CD-CG2 4.28Å; K138-V161 HydrophobicContact CG-CG1 3.93Å; K138-V161 HydrophobicContact CG-CG2 4.37Å
139H87.9Confident84.1Confident59 Ų5960.3 Ų60.327%0.27335%0.346SS..PPolyproline II helixtrans-67.7140.1178.9-178-94.6000109.8G113 S115 Q137 K141 A142G113-H139 WeakPolarHBondContact O-CB 3.01Å; G113-H139 PolarHBondContact O-N 2.78Å; S115-H139 WeakPolarHBondContact OG-CA 3.48Å; S115-H139 WeakPolarHBondContact OG-CB 3.48Å; S115-H139 PolarHBondContact OG-CD2 3.34Å; S115-H139 VanDerWaalsContact OG-CD2 3.23Å; Q137-H139 PolarHBondContact O-N 2.81Å; H139-K141 PolarHBondContact ND1-N 2.83Å; H139-K141 VanDerWaalsContact ND1-N 3.17Å; H139-K141 PolarHBondContact O-N 2.04Å; H139-A142 HydrophobicContact CB-CB 4.17Å; H139-A142 VanDerWaalsContact O-CB 3.28Å; H139-A142 WeakPolarHBondContact O-CB 3.31Å; H139-A142 PolarHBondContact O-N 3.23Å
140P88.2Confident84Confident99 Ų9960.5 Ų60.564%0.64335%0.349SS*.THydrogen-bonded Turntrans-59.5-23.6-175.5-27.235.1000115.2
141K88.6Confident83.9Confident107 Ų10761 Ų6147%0.46536%0.355SS..THydrogen-bonded Turntrans-94.1-3.9176.9-56.9-176.6-1781760113.9H139 A164 G192H139-K141 PolarHBondContact ND1-N 2.83Å; H139-K141 VanDerWaalsContact ND1-N 3.17Å; H139-K141 PolarHBondContact O-N 2.04Å; K141-A164 HydrophobicContact CB-CB 3.92Å; K141-G192 PolarHBondContact O-N 3.29Å
142A91Very high83.9Confident1 Ų159.8 Ų59.81%0.00835%0.347CS..  trans-79.1145.6176.400000110.3G113 K138 H139 V161 F162 G192G113-A142 VanDerWaalsContact O-CB 3.3Å; G113-A142 WeakPolarHBondContact O-CB 3.43Å; K138-A142 WeakPolarHBondContact CE-O 3.47Å; K138-A142 HydrophobicContact CG-CB 4.18Å; K138-A142 PolarHBondContact NZ-O 2.93Å; H139-A142 HydrophobicContact CB-CB 4.17Å; H139-A142 VanDerWaalsContact O-CB 3.28Å; H139-A142 WeakPolarHBondContact O-CB 3.31Å; H139-A142 PolarHBondContact O-N 3.23Å; A142-V161 HydrophobicContact CB-CG1 3.87Å; A142-F162 CarbonylContact C-O 3.59Å; A142-F162 WeakPolarHBondContact CA-O 3.34Å; A142-F162 VanDerWaalsContact CB-O 3.23Å; A142-F162 WeakPolarHBondContact CB-O 3.27Å; A142-G192 WeakPolarHBondContact O-CA 3.08Å
143C84.7Confident83.9Confident0 Ų059.5 Ų59.50%034%0.335CS..BIsolated β-bridgetrans-93153.2178.5-58.60000111.1V161 F162 C189 N193 W194C143-V161 WeakPolarHBondContact O-CA 3.45Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 PolarHBondContact N-O 2.79Å; C143-F162 PolarHBondContact O-N 3.41Å; C143-C189 HydrophobicContact CB-CB 3.82Å; C143-C189 WeakPolarHBondContact CB-SG 3.44Å; C143-C189 PolarHBondContact N-SG 3.5Å; C143-C189 WeakPolarHBondContact SG-CA 3.41Å; C143-C189 WeakPolarHBondContact SG-CB 3.39Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 2.93Å; C143-N193 PolarHBondContact SG-N 2.59Å; C143-N193 VanDerWaalsContact SG-N 3.39Å; C143-N193 PolarHBondContact SG-O 3.39Å; C143-W194 HydrophobicContact CB-CD2 4.29Å; C143-W194 HydrophobicContact CB-CZ2 3.73Å
144D88.1Confident84.2Confident94 Ų9459.9 Ų59.950%0.50334%0.335SS..  trans-75.6-168.3163.4-62.9-54.9000110.2K138 W194K138-D144 WeakPolarHBondContact CE-OD1 3.21Å; K138-D144 IonicContact NZ-OD1 2.71Å; K138-D144 PolarHBondContact NZ-OD1 3.03Å; K138-D144 IonicContact NZ-OD2 2.8Å; K138-D144 PolarHBondContact NZ-OD2 2.87Å; D144-W194 WeakPolarHBondContact O-CZ2 3.46Å; D144-W194 PolarHBondContact O-NE1 2.77Å
145Q85.2Confident84.6Confident104 Ų10463.4 Ų63.449%0.48635%0.353SS..SBendtrans-51.7136.4174.9-63.2173.243.800112.1Y158 E160 W194Q145-Y158 VanDerWaalsContact CD-OH 3.31Å; Q145-Y158 HydrophobicContact CG-CE2 4.37Å; Q145-Y158 PolarHBondContact NE2-OH 3.4Å; Q145-E160 PolarHBondContact N-O 2.03Å; Q145-W194 PolarHBondContact O-NE1 3.26Å
146P84.7Confident84.9Confident19 Ų1961.6 Ų61.612%0.12335%0.345CS..PPolyproline II helixtrans-56.9148.5174.2-2228.5000112.4I154 F162 V168 Y170 W194P146-I154 HydrophobicContact CB-CD1 3.79Å; P146-I154 HydrophobicContact CG-CD1 4.05Å; P146-F162 HydrophobicContact CG-CD2 4.47Å; P146-F162 HydrophobicContact CG-CE2 3.96Å; P146-F162 HydrophobicContact CG-CZ 4.14Å; P146-V168 HydrophobicContact CB-CG2 3.81Å; P146-V168 HydrophobicContact CG-CB 4.27Å; P146-V168 HydrophobicContact CG-CG1 3.82Å; P146-V168 HydrophobicContact CG-CG2 3.57Å; P146-Y170 HydrophobicContact CB-CE2 4.36Å; P146-Y170 WeakPolarHBondContact CB-OH 3.34Å; P146-W194 HydrophobicContact CB-CD2 4.33Å; P146-W194 HydrophobicContact CB-CZ2 4.25Å; P146-W194 HydrophobicContact CG-CD2 4.46Å; P146-W194 HydrophobicContact CG-CH2 3.94Å; P146-W194 HydrophobicContact CG-CZ2 3.53Å
147P83.8Confident84.6Confident51 Ų5166.3 Ų66.333%0.33137%0.374SS..PPolyproline II helixtrans-66.2143.6-177.625.3-31.9000112V149 Y170 W194 T197P147-V149 PolarHBondContact O-N 3.46Å; P147-Y170 PolarHBondContact O-OH 2.81Å; P147-W194 HydrophobicContact CG-CB 4.49Å; P147-T197 HydrophobicContact CG-CG2 3.47Å; P147-T197 VanDerWaalsContact CG-CG2 3.47Å
148A81.6Confident84.3Confident104 Ų10469.6 Ų69.686%0.8638%0.384SS*.PPolyproline II helixtrans-67.1125.7173.600000110.7
149V79.8Confident84Confident19 Ų1970.3 Ų70.312%0.11539%0.389CS..  trans-108122.5178.3175.20000109.6P147 N151 A152 Y170 P198P147-V149 PolarHBondContact O-N 3.46Å; V149-N151 PolarHBondContact O-N 3.39Å; V149-A152 HydrophobicContact CB-CB 3.89Å; V149-A152 HydrophobicContact CG1-CB 3.7Å; V149-A152 PolarHBondContact O-N 3.47Å; V149-A152 VanDerWaalsContact O-N 3.14Å; V149-Y170 HydrophobicContact CB-CD1 3.97Å; V149-Y170 HydrophobicContact CB-CE1 3.83Å; V149-Y170 HydrophobicContact CG2-CD1 3.92Å; V149-Y170 HydrophobicContact CG2-CE1 3.5Å; V149-P198 HydrophobicContact CG1-CG 4.32Å; V149-P198 WeakPolarHBondContact CG1-O 3.33Å; V149-P198 HydrophobicContact CG2-CG 4.29Å
150P81.2Confident83.6Confident102 Ų10273.1 Ų73.166%0.66240%0.402SS*.THydrogen-bonded Turntrans-59.2137.9177.5-24.734.1000112.4A152P150-A152 PolarHBondContact O-N 3.39Å
151N83.8Confident83.5Confident52 Ų5269.1 Ų69.128%0.27838%0.375SS..THydrogen-bonded Turntrans57.727.2-176.3-46.5-66.6000113.4V149 C172 R173 F176 C200V149-N151 PolarHBondContact O-N 3.39Å; N151-C172 CarbonylContact O-C 3.52Å; N151-C172 WeakPolarHBondContact O-CA 3.13Å; N151-R173 HydrophobicContact CB-CB 4.34Å; N151-R173 WeakPolarHBondContact O-CB 3.24Å; N151-R173 PolarHBondContact O-N 3.44Å; N151-F176 HydrophobicContact CB-CD1 3.8Å; N151-F176 HydrophobicContact CB-CD2 4.12Å; N151-F176 HydrophobicContact CB-CE1 3.92Å; N151-F176 HydrophobicContact CB-CE2 4.23Å; N151-F176 HydrophobicContact CB-CG 3.92Å; N151-F176 HydrophobicContact CB-CZ 4.14Å; N151-F176 VanDerWaalsContact CG-CE1 3.5Å; N151-F176 VanDerWaalsContact ND2-CE1 3.34Å; N151-F176 WeakPolarHBondContact ND2-CE1 3Å; N151-C200 HydrophobicContact CB-CB 4.4Å
152A84.4Confident83.5Confident17 Ų1764.4 Ų64.414%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-135.4158.3170.300000110.6V149 P150 Y170 Q171V149-A152 HydrophobicContact CB-CB 3.89Å; V149-A152 HydrophobicContact CG1-CB 3.7Å; V149-A152 PolarHBondContact O-N 3.47Å; V149-A152 VanDerWaalsContact O-N 3.14Å; P150-A152 PolarHBondContact O-N 3.39Å; A152-Y170 HydrophobicContact CB-CD1 4.04Å; A152-Q171 CarbonylContact C-O 3.55Å; A152-Q171 WeakPolarHBondContact CA-O 3.25Å
153V79.8Confident83.6Confident91 Ų9167.6 Ų67.655%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-130.4152172.1-64.80000109.2I155 Y170 Q171V153-I155 HydrophobicContact CG2-CG2 4.11Å; V153-Y170 CarbonylContact O-C 3.49Å; V153-Y170 WeakPolarHBondContact O-CA 3.45Å; V153-Q171 HydrophobicContact CG2-CB 4.25Å; V153-Q171 PolarHBondContact N-O 3.04Å; V153-Q171 PolarHBondContact O-N 3.13Å
154I85.5Confident83.7Confident67 Ų6768.4 Ų68.434%0.34438%0.378SS..EExtended strand (participates in β ladder)trans-87.5128.2173.3-65.3169.7000107.5P146 Q156 Y170P146-I154 HydrophobicContact CB-CD1 3.79Å; P146-I154 HydrophobicContact CG-CD1 4.05Å; I154-Q156 HydrophobicContact CG2-CG 3.39Å; I154-Y170 HydrophobicContact CD1-CE1 3.95Å; I154-Y170 HydrophobicContact CD1-CE2 4.36Å; I154-Y170 HydrophobicContact CG1-CD1 3.85Å; I154-Y170 HydrophobicContact CG1-CD2 4.39Å; I154-Y170 HydrophobicContact CG1-CE1 3.5Å; I154-Y170 VanDerWaalsContact CG1-CE1 3.5Å; I154-Y170 HydrophobicContact CG1-CE2 4.06Å; I154-Y170 HydrophobicContact CG1-CG 4.3Å
155I84.9Confident83.6Confident83 Ų8371.9 Ų71.943%0.42639%0.386SS..  trans-104.736-171.356.7164.6000113.6V153 T169 Q171V153-I155 HydrophobicContact CG2-CG2 4.11Å; I155-T169 HydrophobicContact CD1-CG2 3.8Å; I155-T169 HydrophobicContact CG1-CG2 3.93Å; I155-T169 WeakPolarHBondContact CG1-O 3.49Å; I155-T169 PolarHBondContact N-O 2.9Å; I155-T169 VanDerWaalsContact N-O 3.11Å; I155-Q171 HydrophobicContact CD1-CB 4.36Å; I155-Q171 HydrophobicContact CG2-CB 3.56Å
156Q84Confident83.9Confident63 Ų6368.6 Ų68.629%0.29437%0.374SS..SBendtrans-137170.7178.256.6-173.668.900110.1I154I154-Q156 HydrophobicContact CG2-CG 3.39Å
157T78.3Confident84.2Confident108 Ų10871.6 Ų71.666%0.66339%0.392SS*.  trans-62139.7178.7500000111.2
158Y79.6Confident84.4Confident153 Ų15369.1 Ų69.160%0.638%0.376SS*.  trans-61.8135.7174.8175.2-97.2000110.6Q145 E160Q145-Y158 VanDerWaalsContact CD-OH 3.31Å; Q145-Y158 HydrophobicContact CG-CE2 4.37Å; Q145-Y158 PolarHBondContact NE2-OH 3.4Å; Y158-E160 HydrophobicContact CE1-CG 3.78Å
159Q79.5Confident84.8Confident84 Ų8466.2 Ų66.239%0.39335%0.348SS..  trans-143.1142.4173.8-61.6175.747.900108F162Q159-F162 HydrophobicContact CB-CE1 4.21Å; Q159-F162 HydrophobicContact CB-CE2 3.91Å; Q159-F162 HydrophobicContact CB-CZ 3.74Å; Q159-F162 HydrophobicContact CG-CZ 4.46Å; Q159-F162 VanDerWaalsContact O-CE2 3.3Å; Q159-F162 WeakPolarHBondContact O-CE2 3.25Å
160E78.7Confident85.1Confident118 Ų11865.4 Ų65.455%0.55134%0.343SS*.SBendtrans-80-34.2179.3-68.2-174.7160.900112.4Q145 Y158Q145-E160 PolarHBondContact N-O 2.03Å; Y158-E160 HydrophobicContact CE1-CG 3.78Å
161V86.4Confident85.5Confident15 Ų1564.1 Ų64.19%0.09133%0.328CS..  trans-131.1135.4-176.2177.50000109.4Y114 K138 A142 C143Y114-V161 HydrophobicContact CE1-CG2 4.45Å; Y114-V161 HydrophobicContact CE2-CB 3.87Å; Y114-V161 HydrophobicContact CE2-CG1 4.14Å; Y114-V161 HydrophobicContact CE2-CG2 4.14Å; Y114-V161 VanDerWaalsContact OH-CG2 3.28Å; Y114-V161 WeakPolarHBondContact OH-CG2 3.2Å; K138-V161 HydrophobicContact CD-CG1 4.39Å; K138-V161 HydrophobicContact CD-CG2 4.28Å; K138-V161 HydrophobicContact CG-CG1 3.93Å; K138-V161 HydrophobicContact CG-CG2 4.37Å; A142-V161 HydrophobicContact CB-CG1 3.87Å; C143-V161 WeakPolarHBondContact O-CA 3.45Å
162F89.3Confident85.4Confident8 Ų861.9 Ų61.94%0.03532%0.316CS..BIsolated β-bridgetrans-116.1129.5178.7-72-95.5000109.9A142 C143 P146 Q159 V168 W194A142-F162 CarbonylContact C-O 3.59Å; A142-F162 WeakPolarHBondContact CA-O 3.34Å; A142-F162 VanDerWaalsContact CB-O 3.23Å; A142-F162 WeakPolarHBondContact CB-O 3.27Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 PolarHBondContact N-O 2.79Å; C143-F162 PolarHBondContact O-N 3.41Å; P146-F162 HydrophobicContact CG-CD2 4.47Å; P146-F162 HydrophobicContact CG-CE2 3.96Å; P146-F162 HydrophobicContact CG-CZ 4.14Å; Q159-F162 HydrophobicContact CB-CE1 4.21Å; Q159-F162 HydrophobicContact CB-CE2 3.91Å; Q159-F162 HydrophobicContact CB-CZ 3.74Å; Q159-F162 HydrophobicContact CG-CZ 4.46Å; Q159-F162 VanDerWaalsContact O-CE2 3.3Å; Q159-F162 WeakPolarHBondContact O-CE2 3.25Å; F162-V168 HydrophobicContact CD1-CG1 3.8Å; F162-V168 HydrophobicContact CE1-CG1 3.39Å; F162-V168 HydrophobicContact CZ-CG1 3.89Å; F162-W194 HydrophobicContact CB-CH2 3.71Å; F162-W194 HydrophobicContact CB-CZ2 3.67Å; F162-W194 AromaticContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CZ2 4.23Å; F162-W194 HydrophobicContact CD2-CH2 4.04Å; F162-W194 AromaticContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CE1-CH2 4.49Å; F162-W194 HydrophobicContact CE2-CZ2 4.25Å; F162-W194 AromaticContact CG-CH2 3.57Å; F162-W194 HydrophobicContact CG-CH2 3.57Å; F162-W194 AromaticContact CG-CZ2 3.54Å; F162-W194 HydrophobicContact CG-CZ2 3.54Å
163D91.7Very high85.5Confident68 Ų6868.8 Ų68.836%0.36434%0.338SS..  trans-62.3158.1177.5-160.59.6000111.7A112 Y165 S166A112-D163 HydrophobicContact CB-CB 4.39Å; D163-Y165 PolarHBondContact O-N 2.91Å; D163-S166 PolarHBondContact N-OG 3.43Å; D163-S166 VanDerWaalsContact N-OG 3.17Å; D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-OG 2.7Å
164A87.4Confident85.7Confident16 Ų1671.3 Ų71.313%0.13235%0.349CS..THydrogen-bonded Turntrans-54.4136.9173.900000110.2K141 S166K141-A164 HydrophobicContact CB-CB 3.92Å; A164-S166 PolarHBondContact O-N 2.97Å
165Y86.9Confident85.6Confident168 Ų16870.7 Ų70.766%0.65936%0.359SS*.THydrogen-bonded Turntrans68.57.5-177-42.4-71.2000115.2D163 C189 E190D163-Y165 PolarHBondContact O-N 2.91Å; Y165-C189 WeakPolarHBondContact CA-O 3.47Å; Y165-C189 PolarHBondContact N-O 3.38Å; Y165-E190 HydrophobicContact CD1-CG 4.41Å
166S89.8Confident85.7Confident35 Ų3568 Ų6825%0.24535%0.345CS..  trans-61.4147.7168.2-61.80000110.6D163 A164 C189D163-S166 PolarHBondContact N-OG 3.43Å; D163-S166 VanDerWaalsContact N-OG 3.17Å; D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 2.85Å; D163-S166 PolarHBondContact O-OG 2.7Å; A164-S166 PolarHBondContact O-N 2.97Å; S166-C189 PolarHBondContact O-N 3.2Å
167T91.3Very high85.8Confident81 Ų8167.5 Ų67.550%0.49734%0.343SS..EExtended strand (participates in β ladder)trans-117.2148.2175.154.60000111T186 V187T167-T186 VanDerWaalsContact CB-CG2 3.48Å; T167-T186 HydrophobicContact CG2-CG2 3.97Å; T167-V187 CarbonylContact C-O 3.47Å; T167-V187 WeakPolarHBondContact CA-O 2.99Å
168V88.4Confident86.1Confident0 Ų062.6 Ų62.60%031%0.313CS..EExtended strand (participates in β ladder)trans-128.3139.8170.6-43.10000112.7P146 F162 Y170 T186 V187 W194P146-V168 HydrophobicContact CB-CG2 3.81Å; P146-V168 HydrophobicContact CG-CB 4.27Å; P146-V168 HydrophobicContact CG-CG1 3.82Å; P146-V168 HydrophobicContact CG-CG2 3.57Å; F162-V168 HydrophobicContact CD1-CG1 3.8Å; F162-V168 HydrophobicContact CE1-CG1 3.39Å; F162-V168 HydrophobicContact CZ-CG1 3.89Å; V168-Y170 HydrophobicContact CG2-CD2 4.14Å; V168-Y170 HydrophobicContact CG2-CE2 3.56Å; V168-T186 CarbonylContact O-C 3.51Å; V168-T186 WeakPolarHBondContact O-CA 3.19Å; V168-V187 HydrophobicContact CB-CG2 4.38Å; V168-V187 HydrophobicContact CG2-CG2 3.23Å; V168-V187 PolarHBondContact N-O 3.42Å; V168-V187 PolarHBondContact O-N 3.01Å; V168-W194 HydrophobicContact CG1-CH2 3.5Å; V168-W194 HydrophobicContact CG1-CZ2 4.4Å; V168-W194 HydrophobicContact CG1-CZ3 3.82Å; V168-W194 HydrophobicContact CG2-CH2 4.43Å; V168-W194 HydrophobicContact CG2-CZ3 4.16Å
169T89.1Confident86.3Confident42 Ų4260.6 Ų60.626%0.25831%0.31SS..EExtended strand (participates in β ladder)trans-98.2123.2-177.7-520000110.9I155 T185I155-T169 HydrophobicContact CD1-CG2 3.8Å; I155-T169 HydrophobicContact CG1-CG2 3.93Å; I155-T169 WeakPolarHBondContact CG1-O 3.49Å; I155-T169 PolarHBondContact N-O 2.9Å; I155-T169 VanDerWaalsContact N-O 3.11Å; T169-T185 WeakPolarHBondContact CA-O 2.97Å
170Y86.7Confident86.6Confident3 Ų362.6 Ų62.61%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-96.3139.8169.8-75-102.4000110.1P146 P147 V149 A152 V153 I154 V168 T184 T185 V187 P198P146-Y170 HydrophobicContact CB-CE2 4.36Å; P146-Y170 WeakPolarHBondContact CB-OH 3.34Å; P147-Y170 PolarHBondContact O-OH 2.81Å; V149-Y170 HydrophobicContact CB-CD1 3.97Å; V149-Y170 HydrophobicContact CB-CE1 3.83Å; V149-Y170 HydrophobicContact CG2-CD1 3.92Å; V149-Y170 HydrophobicContact CG2-CE1 3.5Å; A152-Y170 HydrophobicContact CB-CD1 4.04Å; V153-Y170 CarbonylContact O-C 3.49Å; V153-Y170 WeakPolarHBondContact O-CA 3.45Å; I154-Y170 HydrophobicContact CD1-CE1 3.95Å; I154-Y170 HydrophobicContact CD1-CE2 4.36Å; I154-Y170 HydrophobicContact CG1-CD1 3.85Å; I154-Y170 HydrophobicContact CG1-CD2 4.39Å; I154-Y170 HydrophobicContact CG1-CE1 3.5Å; I154-Y170 VanDerWaalsContact CG1-CE1 3.5Å; I154-Y170 HydrophobicContact CG1-CE2 4.06Å; I154-Y170 HydrophobicContact CG1-CG 4.3Å; V168-Y170 HydrophobicContact CG2-CD2 4.14Å; V168-Y170 HydrophobicContact CG2-CE2 3.56Å; Y170-T184 CarbonylContact O-C 3.59Å; Y170-T184 WeakPolarHBondContact O-CA 3.33Å; Y170-T185 PolarHBondContact N-O 2.68Å; Y170-T185 PolarHBondContact O-N 3.38Å; Y170-V187 HydrophobicContact CD2-CG1 3.9Å; Y170-V187 HydrophobicContact CD2-CG2 4.18Å; Y170-V187 HydrophobicContact CE2-CB 4.45Å; Y170-V187 HydrophobicContact CE2-CG1 3.86Å; Y170-V187 HydrophobicContact CE2-CG2 3.63Å; Y170-P198 HydrophobicContact CG-CG 4.27Å
171Q89.3Confident86.9Confident75 Ų7567 Ų6735%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-112.8121.7167.9178.9171.9-9.400109.1A152 V153 I155 T184A152-Q171 CarbonylContact C-O 3.55Å; A152-Q171 WeakPolarHBondContact CA-O 3.25Å; V153-Q171 HydrophobicContact CG2-CB 4.25Å; V153-Q171 PolarHBondContact N-O 3.04Å; V153-Q171 PolarHBondContact O-N 3.13Å; I155-Q171 HydrophobicContact CD1-CB 4.36Å; I155-Q171 HydrophobicContact CG2-CB 3.56Å; Q171-T184 HydrophobicContact CB-CG2 4.14Å; Q171-T184 HydrophobicContact CG-CG2 4.2Å
172C82.9Confident86.9Confident5 Ų571.6 Ų71.63%0.03436%0.355CS..EExtended strand (participates in β ladder)trans-66.5145.4169.7-62.90000110.1N151 F176 S183 C200N151-C172 CarbonylContact O-C 3.52Å; N151-C172 WeakPolarHBondContact O-CA 3.13Å; C172-F176 HydrophobicContact CB-CB 4.14Å; C172-F176 VanDerWaalsContact CB-O 3.31Å; C172-F176 WeakPolarHBondContact CB-O 3.47Å; C172-S183 PolarHBondContact N-O 3.42Å; C172-C200 VanDerWaalsContact CA-SG 3.53Å; C172-C200 HydrophobicContact CB-CB 3.79Å; C172-C200 WeakPolarHBondContact CB-SG 3.36Å; C172-C200 WeakPolarHBondContact SG-CB 3.09Å; C172-C200 CovalentContact SG-SG 2.04Å; C172-C200 PolarHBondContact SG-SG 2.96Å
173R86.8Confident86.7Confident161 Ų16174.4 Ų74.461%0.60838%0.375SS*.  trans-61.7148.8171.4-176-176.7-66.9175.5-1.6109.8N151 G175 F176N151-R173 HydrophobicContact CB-CB 4.34Å; N151-R173 WeakPolarHBondContact O-CB 3.24Å; N151-R173 PolarHBondContact O-N 3.44Å; R173-G175 PolarHBondContact O-N 3.21Å; R173-F176 HydrophobicContact CB-CD2 4.29Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 2.82Å
174D83.7Confident86.6Confident145 Ų14573.7 Ų73.778%0.77537%0.373SS*.THydrogen-bonded Turntrans-45.7130.4176.1-61.5-22.3000113.2F176D174-F176 VanDerWaalsContact C-N 3.32Å
175G83.3Confident86.6Confident54 Ų5474.2 Ų74.256%0.55738%0.375SS*.THydrogen-bonded Turntrans82.70.4-176.300000115.2R173 R202 P203R173-G175 PolarHBondContact O-N 3.21Å; G175-R202 WeakPolarHBondContact O-CG 3.38Å; G175-P203 WeakPolarHBondContact O-CD 3.24Å
176F86.4Confident86.7Confident27 Ų2769.8 Ų69.812%0.11837%0.366CS..  trans-112.8143.8170.3-64.9-106.3000110.3N151 C172 R173 D174 C200 T201 R202N151-F176 HydrophobicContact CB-CD1 3.8Å; N151-F176 HydrophobicContact CB-CD2 4.12Å; N151-F176 HydrophobicContact CB-CE1 3.92Å; N151-F176 HydrophobicContact CB-CE2 4.23Å; N151-F176 HydrophobicContact CB-CG 3.92Å; N151-F176 HydrophobicContact CB-CZ 4.14Å; N151-F176 VanDerWaalsContact CG-CE1 3.5Å; N151-F176 VanDerWaalsContact ND2-CE1 3.34Å; N151-F176 WeakPolarHBondContact ND2-CE1 3Å; C172-F176 HydrophobicContact CB-CB 4.14Å; C172-F176 VanDerWaalsContact CB-O 3.31Å; C172-F176 WeakPolarHBondContact CB-O 3.47Å; R173-F176 HydrophobicContact CB-CD2 4.29Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 2.82Å; D174-F176 VanDerWaalsContact C-N 3.32Å; F176-C200 HydrophobicContact CB-CB 4.03Å; F176-C200 WeakPolarHBondContact CD1-O 3.42Å; F176-T201 CarbonylContact C-O 3.58Å; F176-T201 WeakPolarHBondContact CA-O 3.37Å; F176-R202 HydrophobicContact CD1-CG 4.02Å; F176-R202 HydrophobicContact CD2-CG 4.37Å; F176-R202 HydrophobicContact CE1-CG 3.81Å; F176-R202 HydrophobicContact CE2-CG 4.18Å; F176-R202 HydrophobicContact CG-CG 4.29Å; F176-R202 HydrophobicContact CZ-CG 3.9Å
177L85.3Confident86.5Confident52 Ų5268.1 Ų68.127%0.27235%0.354SS..BIsolated β-bridgetrans-130.5158.3176.7-58.8175.6000110.4R181 E182 C200 T201 P203L177-R181 HydrophobicContact CD1-CB 4.24Å; L177-E182 CarbonylContact C-O 3.53Å; L177-E182 VanDerWaalsContact CA-O 3.28Å; L177-E182 WeakPolarHBondContact CA-O 3.39Å; L177-C200 CarbonylContact O-C 3.6Å; L177-C200 WeakPolarHBondContact O-CA 3.3Å; L177-T201 PolarHBondContact N-O 3.05Å; L177-T201 PolarHBondContact O-N 3.25Å; L177-P203 HydrophobicContact CD1-CG 3.77Å; L177-P203 HydrophobicContact CG-CG 4.22Å
178T85.4Confident86.3Confident5 Ų565.6 Ų65.63%0.03134%0.34CS..  trans-68.3175.4174.264.60000111.5D180 R181 E182 T185T178-D180 PolarHBondContact O-N 2.77Å; T178-D180 PolarHBondContact OG1-N 2.89Å; T178-R181 PolarHBondContact O-N 3.21Å; T178-E182 WeakPolarHBondContact CG2-O 3.43Å; T178-E182 PolarHBondContact N-O 2.84Å; T178-E182 PolarHBondContact OG1-N 2.88Å; T178-E182 PolarHBondContact OG1-O 2.76Å; T178-T185 HydrophobicContact CG2-CG2 3.68Å
179Q83.6Confident86.1Confident111 Ų11165.6 Ų65.652%0.51934%0.34SS..THydrogen-bonded Turntrans-54.7-35.4173.8-66.999.6-40.700112.3R181 R199Q179-R181 PolarHBondContact O-N 3.45Å; Q179-R199 VanDerWaalsContact OE1-N 3.11Å
180D85.3Confident85.8Confident125 Ų12567.5 Ų67.567%0.66835%0.346SS*.THydrogen-bonded Turntrans-87.510.7-178.7-54.1-47.6000113.1T178 E182T178-D180 PolarHBondContact O-N 2.77Å; T178-D180 PolarHBondContact OG1-N 2.89Å; D180-E182 VanDerWaalsContact C-N 3.32Å; D180-E182 PolarHBondContact O-N 2.88Å
181R85.7Confident85.6Confident211 Ų21170.4 Ų70.480%0.79637%0.371SS*.SBendtrans63.531.2-178.8-54.8-174.1173.7-167.5-0.6114.4L177 T178 Q179L177-R181 HydrophobicContact CD1-CB 4.24Å; T178-R181 PolarHBondContact O-N 3.21Å; Q179-R181 PolarHBondContact O-N 3.45Å
182E86.4Confident85Confident112 Ų11268 Ų6852%0.52337%0.366SS..  trans-102157.1174.7-59.7-170.4161.500111.4L177 T178 D180L177-E182 CarbonylContact C-O 3.53Å; L177-E182 VanDerWaalsContact CA-O 3.28Å; L177-E182 WeakPolarHBondContact CA-O 3.39Å; T178-E182 WeakPolarHBondContact CG2-O 3.43Å; T178-E182 PolarHBondContact N-O 2.84Å; T178-E182 PolarHBondContact OG1-N 2.88Å; T178-E182 PolarHBondContact OG1-O 2.76Å; D180-E182 VanDerWaalsContact C-N 3.32Å; D180-E182 PolarHBondContact O-N 2.88Å
183S85.4Confident84.9Confident66 Ų6672.5 Ų72.546%0.46239%0.39SS..SBendtrans-84.2-20.817654.10000112.9C172C172-S183 PolarHBondContact N-O 3.42Å
184T90.4Very high84.7Confident53 Ų5366.9 Ų66.933%0.32537%0.368SS..EExtended strand (participates in β ladder)trans-129.1159.1179.156.10000110.7Y170 Q171Y170-T184 CarbonylContact O-C 3.59Å; Y170-T184 WeakPolarHBondContact O-CA 3.33Å; Q171-T184 HydrophobicContact CB-CG2 4.14Å; Q171-T184 HydrophobicContact CG-CG2 4.2Å
185T87.3Confident84.6Confident28 Ų2864.7 Ų64.717%0.17235%0.352CS..EExtended strand (participates in β ladder)trans-162.2161.4175.5-176.50000110T169 Y170 T178 P198T169-T185 WeakPolarHBondContact CA-O 2.97Å; Y170-T185 PolarHBondContact N-O 2.68Å; Y170-T185 PolarHBondContact O-N 3.38Å; T178-T185 HydrophobicContact CG2-CG2 3.68Å; T185-P198 HydrophobicContact CG2-CB 3.3Å; T185-P198 HydrophobicContact CG2-CG 3.39Å
186T87.7Confident84.5Confident74 Ų7464.8 Ų64.845%0.45435%0.353SS..EExtended strand (participates in β ladder)trans-119.2136.1-173.2-55.50000109.7T167 V168T167-T186 VanDerWaalsContact CB-CG2 3.48Å; T167-T186 HydrophobicContact CG2-CG2 3.97Å; V168-T186 CarbonylContact O-C 3.51Å; V168-T186 WeakPolarHBondContact O-CA 3.19Å
187V86.2Confident84.2Confident1 Ų166.8 Ų66.81%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-111.1149.6172.3-49.20000109.2T167 V168 Y170 W194 F195 G196T167-V187 CarbonylContact C-O 3.47Å; T167-V187 WeakPolarHBondContact CA-O 2.99Å; V168-V187 HydrophobicContact CB-CG2 4.38Å; V168-V187 HydrophobicContact CG2-CG2 3.23Å; V168-V187 PolarHBondContact N-O 3.42Å; V168-V187 PolarHBondContact O-N 3.01Å; Y170-V187 HydrophobicContact CD2-CG1 3.9Å; Y170-V187 HydrophobicContact CD2-CG2 4.18Å; Y170-V187 HydrophobicContact CE2-CB 4.45Å; Y170-V187 HydrophobicContact CE2-CG1 3.86Å; Y170-V187 HydrophobicContact CE2-CG2 3.63Å; V187-W194 HydrophobicContact CB-CE3 4.48Å; V187-W194 HydrophobicContact CG2-CE3 3.65Å; V187-W194 HydrophobicContact CG2-CZ3 4.01Å; V187-F195 CarbonylContact C-O 3.52Å; V187-F195 VanDerWaalsContact CA-O 3.25Å; V187-F195 WeakPolarHBondContact CA-O 3.46Å; V187-F195 WeakPolarHBondContact CB-O 3.42Å; V187-G196 WeakPolarHBondContact CG1-O 3.32Å
188S86.3Confident84Confident28 Ų2864.7 Ų64.720%0.19636%0.357CS..EExtended strand (participates in β ladder)trans-111.9141.3-178.951.60000111.5E190 W194 F195S188-E190 WeakPolarHBondContact CB-OE1 3.43Å; S188-E190 PolarHBondContact OG-OE1 2.78Å; S188-W194 CarbonylContact O-C 3.55Å; S188-W194 WeakPolarHBondContact O-CA 3.18Å; S188-F195 PolarHBondContact N-O 2.76Å; S188-F195 PolarHBondContact O-N 2.93Å
189C84.6Confident84Confident0 Ų071.8 Ų71.80%038%0.383CS..EExtended strand (participates in β ladder)trans-86.5119.5167.1171.60000108.8C143 Y165 S166 W194C143-C189 HydrophobicContact CB-CB 3.82Å; C143-C189 WeakPolarHBondContact CB-SG 3.44Å; C143-C189 PolarHBondContact N-SG 3.5Å; C143-C189 WeakPolarHBondContact SG-CA 3.41Å; C143-C189 WeakPolarHBondContact SG-CB 3.39Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 2.93Å; Y165-C189 WeakPolarHBondContact CA-O 3.47Å; Y165-C189 PolarHBondContact N-O 3.38Å; S166-C189 PolarHBondContact O-N 3.2Å; C189-W194 HydrophobicContact CB-CD2 4.47Å; C189-W194 HydrophobicContact CB-CE3 4.03Å; C189-W194 HydrophobicContact CB-CH2 3.8Å; C189-W194 HydrophobicContact CB-CZ2 4.26Å; C189-W194 HydrophobicContact CB-CZ3 3.68Å
190E83.8Confident84Confident81 Ų8167 Ų6738%0.37936%0.361SS..EExtended strand (participates in β ladder)trans-135.4124.2178.1-58.4174.3-150.300109.6Y165 S188 G192 N193 F195Y165-E190 HydrophobicContact CD1-CG 4.41Å; S188-E190 WeakPolarHBondContact CB-OE1 3.43Å; S188-E190 PolarHBondContact OG-OE1 2.78Å; E190-G192 PolarHBondContact O-N 3.28Å; E190-G192 VanDerWaalsContact O-N 3.11Å; E190-N193 PolarHBondContact N-O 2.73Å; E190-N193 PolarHBondContact O-N 2.82Å; E190-F195 HydrophobicContact CB-CD2 3.66Å; E190-F195 HydrophobicContact CB-CE2 3.71Å; E190-F195 HydrophobicContact CG-CD2 4.12Å; E190-F195 WeakPolarHBondContact O-CE2 3.48Å
191A82.4Confident84.2Confident65 Ų6564.9 Ų64.954%0.53735%0.354SS..THydrogen-bonded Turntrans46.745178.500000113.8N193A191-N193 VanDerWaalsContact C-N 3.33Å; A191-N193 PolarHBondContact O-N 2.92Å; A191-N193 PolarHBondContact O-ND2 2.01Å; A191-N193 VanDerWaalsContact O-ND2 3.15Å
192G75.9Confident84.1Confident24 Ų2463.6 Ų63.625%0.24735%0.348CS..THydrogen-bonded Turntrans80.14.3178.300000115.8K141 A142 E190K141-G192 PolarHBondContact O-N 3.29Å; A142-G192 WeakPolarHBondContact O-CA 3.08Å; E190-G192 PolarHBondContact O-N 3.28Å; E190-G192 VanDerWaalsContact O-N 3.11Å
193N81.6Confident83.6Confident100 Ų10062 Ų6254%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-124.6148.3-179.7-63.3-83.6000112C143 E190 A191 F195C143-N193 PolarHBondContact SG-N 2.59Å; C143-N193 VanDerWaalsContact SG-N 3.39Å; C143-N193 PolarHBondContact SG-O 3.39Å; E190-N193 PolarHBondContact N-O 2.73Å; E190-N193 PolarHBondContact O-N 2.82Å; A191-N193 VanDerWaalsContact C-N 3.33Å; A191-N193 PolarHBondContact O-N 2.92Å; A191-N193 PolarHBondContact O-ND2 2.01Å; A191-N193 VanDerWaalsContact O-ND2 3.15Å; N193-F195 HydrophobicContact CB-CD2 4.42Å; N193-F195 HydrophobicContact CB-CE2 3.66Å; N193-F195 HydrophobicContact CB-CZ 4.1Å; N193-F195 VanDerWaalsContact O-CD2 3.31Å; N193-F195 WeakPolarHBondContact O-CD2 3.39Å
194W82.8Confident82.8Confident42 Ų4263.7 Ų63.716%0.15937%0.366CS..EExtended strand (participates in β ladder)trans-88.3128.5175.2-71.2105.7000111.8C143 D144 Q145 P146 P147 F162 V168 V187 S188 C189 T197C143-W194 HydrophobicContact CB-CD2 4.29Å; C143-W194 HydrophobicContact CB-CZ2 3.73Å; D144-W194 WeakPolarHBondContact O-CZ2 3.46Å; D144-W194 PolarHBondContact O-NE1 2.77Å; Q145-W194 PolarHBondContact O-NE1 3.26Å; P146-W194 HydrophobicContact CB-CD2 4.33Å; P146-W194 HydrophobicContact CB-CZ2 4.25Å; P146-W194 HydrophobicContact CG-CD2 4.46Å; P146-W194 HydrophobicContact CG-CH2 3.94Å; P146-W194 HydrophobicContact CG-CZ2 3.53Å; P147-W194 HydrophobicContact CG-CB 4.49Å; F162-W194 HydrophobicContact CB-CH2 3.71Å; F162-W194 HydrophobicContact CB-CZ2 3.67Å; F162-W194 AromaticContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CH2 3.84Å; F162-W194 HydrophobicContact CD1-CZ2 4.23Å; F162-W194 HydrophobicContact CD2-CH2 4.04Å; F162-W194 AromaticContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CD2-CZ2 3.56Å; F162-W194 HydrophobicContact CE1-CH2 4.49Å; F162-W194 HydrophobicContact CE2-CZ2 4.25Å; F162-W194 AromaticContact CG-CH2 3.57Å; F162-W194 HydrophobicContact CG-CH2 3.57Å; F162-W194 AromaticContact CG-CZ2 3.54Å; F162-W194 HydrophobicContact CG-CZ2 3.54Å; V168-W194 HydrophobicContact CG1-CH2 3.5Å; V168-W194 HydrophobicContact CG1-CZ2 4.4Å; V168-W194 HydrophobicContact CG1-CZ3 3.82Å; V168-W194 HydrophobicContact CG2-CH2 4.43Å; V168-W194 HydrophobicContact CG2-CZ3 4.16Å; V187-W194 HydrophobicContact CB-CE3 4.48Å; V187-W194 HydrophobicContact CG2-CE3 3.65Å; V187-W194 HydrophobicContact CG2-CZ3 4.01Å; S188-W194 CarbonylContact O-C 3.55Å; S188-W194 WeakPolarHBondContact O-CA 3.18Å; C189-W194 HydrophobicContact CB-CD2 4.47Å; C189-W194 HydrophobicContact CB-CE3 4.03Å; C189-W194 HydrophobicContact CB-CH2 3.8Å; C189-W194 HydrophobicContact CB-CZ2 4.26Å; C189-W194 HydrophobicContact CB-CZ3 3.68Å; W194-T197 HydrophobicContact CB-CG2 4.46Å
195F81.6Confident81.2Confident100 Ų10072.4 Ų72.444%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-118.3149.3-180-68.1-91.4000111.9V187 S188 E190 N193V187-F195 CarbonylContact C-O 3.52Å; V187-F195 VanDerWaalsContact CA-O 3.25Å; V187-F195 WeakPolarHBondContact CA-O 3.46Å; V187-F195 WeakPolarHBondContact CB-O 3.42Å; S188-F195 PolarHBondContact N-O 2.76Å; S188-F195 PolarHBondContact O-N 2.93Å; E190-F195 HydrophobicContact CB-CD2 3.66Å; E190-F195 HydrophobicContact CB-CE2 3.71Å; E190-F195 HydrophobicContact CG-CD2 4.12Å; E190-F195 WeakPolarHBondContact O-CE2 3.48Å; N193-F195 HydrophobicContact CB-CD2 4.42Å; N193-F195 HydrophobicContact CB-CE2 3.66Å; N193-F195 HydrophobicContact CB-CZ 4.1Å; N193-F195 VanDerWaalsContact O-CD2 3.31Å; N193-F195 WeakPolarHBondContact O-CD2 3.39Å
196G79.5Confident79.8Confident55 Ų5577.6 Ų77.657%0.56743%0.43SS*.  trans83.315.8-179.700000114.8V187 P198V187-G196 WeakPolarHBondContact CG1-O 3.32Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; G196-P198 VanDerWaalsContact O-N 3.16Å
197T80.8Confident78.2Confident69 Ų6977.6 Ų77.642%0.42345%0.445SS..  trans-53.1119.7-178.558.30000112.3P147 W194P147-T197 HydrophobicContact CG-CG2 3.47Å; P147-T197 VanDerWaalsContact CG-CG2 3.47Å; W194-T197 HydrophobicContact CB-CG2 4.46Å
198P80.9Confident76.1Confident8 Ų882.1 Ų82.15%0.05248%0.477CS..  trans-84.6162.5-168.934.4-40.2000113.1V149 Y170 T185 G196V149-P198 HydrophobicContact CG1-CG 4.32Å; V149-P198 WeakPolarHBondContact CG1-O 3.33Å; V149-P198 HydrophobicContact CG2-CG 4.29Å; Y170-P198 HydrophobicContact CG-CG 4.27Å; T185-P198 HydrophobicContact CG2-CB 3.3Å; T185-P198 HydrophobicContact CG2-CG 3.39Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; G196-P198 VanDerWaalsContact O-N 3.16Å
199R86.8Confident74.5Confident154 Ų15488.2 Ų88.258%0.58151%0.513SS*.  trans-117.2105.4168.6-68-177.7169.8-177-5.4109.7Q179 T201 E236Q179-R199 VanDerWaalsContact OE1-N 3.11Å; R199-T201 PolarHBondContact O-N 3.03Å; R199-E236 IonicContact NH2-OE2 3.5Å; R199-E236 PolarHBondContact NH2-OE2 2.77Å
200C82.9Confident72.4Confident10 Ų1093.7 Ų93.77%0.06854%0.542CS..  trans-79.1116.2174.2-64.70000110.3N151 C172 F176 L177N151-C200 HydrophobicContact CB-CB 4.4Å; C172-C200 VanDerWaalsContact CA-SG 3.53Å; C172-C200 HydrophobicContact CB-CB 3.79Å; C172-C200 WeakPolarHBondContact CB-SG 3.36Å; C172-C200 WeakPolarHBondContact SG-CB 3.09Å; C172-C200 CovalentContact SG-SG 2.04Å; C172-C200 PolarHBondContact SG-SG 2.96Å; F176-C200 HydrophobicContact CB-CB 4.03Å; F176-C200 WeakPolarHBondContact CD1-O 3.42Å; L177-C200 CarbonylContact O-C 3.6Å; L177-C200 WeakPolarHBondContact O-CA 3.3Å
201T88.6Confident70.4Confident82 Ų8295 Ų9550%0.50356%0.556SS.*BIsolated β-bridgetrans-130.9153.9-178.261.90000111.7F176 L177 R199F176-T201 CarbonylContact C-O 3.58Å; F176-T201 WeakPolarHBondContact CA-O 3.37Å; L177-T201 PolarHBondContact N-O 3.05Å; L177-T201 PolarHBondContact O-N 3.25Å; R199-T201 PolarHBondContact O-N 3.03Å
202R85.3Confident68.8Low183 Ų183100.8 Ų100.869%0.69157%0.572SS**PPolyproline II helixtrans-73.3137175.4-72.4-174.8171.1152.7-3.2110.1G175 F176 A204G175-R202 WeakPolarHBondContact O-CG 3.38Å; F176-R202 HydrophobicContact CD1-CG 4.02Å; F176-R202 HydrophobicContact CD2-CG 4.37Å; F176-R202 HydrophobicContact CE1-CG 3.81Å; F176-R202 HydrophobicContact CE2-CG 4.18Å; F176-R202 HydrophobicContact CG-CG 4.29Å; F176-R202 HydrophobicContact CZ-CG 3.9Å; R202-A204 PolarHBondContact O-N 3.12Å
203P75.9Confident67.3Low80 Ų80105.1 Ų105.152%0.51959%0.594SS.*PPolyproline II helixtrans-57.3133.1170.2-20.531.1000110.5G175 L177 R205G175-P203 WeakPolarHBondContact O-CD 3.24Å; L177-P203 HydrophobicContact CD1-CG 3.77Å; L177-P203 HydrophobicContact CG-CG 4.22Å; P203-R205 PolarHBondContact O-N 3.04Å
204A66.8Low65.3Low101 Ų101105.3 Ų105.384%0.83560%0.599SS**PPolyproline II helixtrans-60.9130.3172.200000109.3R202 S206R202-A204 PolarHBondContact O-N 3.12Å; A204-S206 PolarHBondContact O-N 3.09Å
205R58.3Low63.3Low236 Ų236113.3 Ų113.389%0.89164%0.635SS**PPolyproline II helixtrans-65.7116.2174.7-69.6-176.9177.2-172.6-1.8108.2P203 G207P203-R205 PolarHBondContact O-N 3.04Å; R205-G207 PolarHBondContact O-N 2.9Å
206S56.6Low61.4Low136 Ų136113.9 Ų113.995%0.95165%0.646SS**SBendtrans-63.9106.7165.4-112.40000107.7A204A204-S206 PolarHBondContact O-N 3.09Å
207G54.5Low59.8Low75 Ų75113.7 Ų113.777%0.77364%0.637SS**  trans132.357179.400000114R205R205-G207 PolarHBondContact O-N 2.9Å
208S41.6Very low58.4Low96 Ų96112.5 Ų112.567%0.67163%0.627SS**  trans-142.6101.214564.70000107.5D210S208-D210 PolarHBondContact O-N 2.97Å
209T52.8Low57.1Low155 Ų155118.2 Ų118.295%0.95166%0.657SS**  trans-59.687.4145.337.90000106
210D41.1Very low55.9Low115 Ų115117.7 Ų117.762%0.61566%0.661SS**  trans-125.8107.1164.3-156.1-3.9000106.7S208S208-D210 PolarHBondContact O-N 2.97Å
211T40.9Very low55.3Low108 Ų108118 Ų11866%0.66366%0.663SS**  trans20.3116.7147.3-220000114.9T213T211-T213 PolarHBondContact O-N 2.99Å; T211-T213 PolarHBondContact O-OG1 2.81Å; T211-T213 VanDerWaalsContact O-OG1 3.1Å
212Q49.9Very low54.3Low187 Ų187117.1 Ų117.187%0.87467%0.671SS**  trans-25.284.8161.7-163.6168.524.100111.3T214Q212-T214 VanDerWaalsContact C-N 3.28Å; Q212-T214 PolarHBondContact O-N 3.19Å
213T44Very low53.9Low115 Ų115117.1 Ų117.171%0.70668%0.678SS**  trans-82.597.4172.5-17.70000101.7T211 F215T211-T213 PolarHBondContact O-N 2.99Å; T211-T213 PolarHBondContact O-OG1 2.81Å; T211-T213 VanDerWaalsContact O-OG1 3.1Å; T213-F215 PolarHBondContact O-N 3.4Å
214T40.1Very low54.2Low105 Ų105116.3 Ų116.364%0.64467%0.669SS**  trans-35.9115.9165.546.70000108Q212 V216Q212-T214 VanDerWaalsContact C-N 3.28Å; Q212-T214 PolarHBondContact O-N 3.19Å; T214-V216 PolarHBondContact O-N 3.46Å
215F39.8Very low55Low210 Ų210112.6 Ų112.692%0.92164%0.637SS**  trans-58.895.6164.2-72.8-92.9000105.7T213 S217T213-F215 PolarHBondContact O-N 3.4Å; F215-S217 VanDerWaalsContact C-N 3.34Å; F215-S217 PolarHBondContact O-N 2.78Å
216V42.3Very low56.4Low111 Ų111109 Ų10967%0.67363%0.63SS**  trans-67.9105.4165.1-179.40000103.9T214 I218T214-V216 PolarHBondContact O-N 3.46Å; V216-I218 PolarHBondContact O-N 2.85Å
217S46.3Very low57.9Low52 Ų52102.7 Ų102.736%0.36459%0.585SS.*  trans-59.8132.1175.886.20000107.8F215 D219F215-S217 VanDerWaalsContact C-N 3.34Å; F215-S217 PolarHBondContact O-N 2.78Å; S217-D219 WeakPolarHBondContact CB-OD2 3.28Å; S217-D219 PolarHBondContact O-N 2.85Å; S217-D219 WeakPolarHBondContact OG-CB 3.25Å; S217-D219 PolarHBondContact OG-OD2 2.94Å
218I51.6Low59.4Low43 Ų43103 Ų10322%0.22157%0.573CS.*SBendtrans-82.945.4177.9-61.1163.5000107.7V216 H220 R238 C258 R260V216-I218 PolarHBondContact O-N 2.85Å; I218-H220 VanDerWaalsContact C-N 3.3Å; I218-R238 HydrophobicContact CD1-CG 4.37Å; I218-C258 HydrophobicContact CG2-CB 4.19Å; I218-C258 WeakPolarHBondContact CG2-SG 3.49Å; I218-R260 HydrophobicContact CD1-CG 4.22Å
219D53Low61.6Low128 Ų128101.2 Ų101.268%0.68456%0.557SS**  trans-917.6-176.1-61.5-21.9000112.3S217S217-D219 WeakPolarHBondContact CB-OD2 3.28Å; S217-D219 PolarHBondContact O-N 2.85Å; S217-D219 WeakPolarHBondContact OG-CB 3.25Å; S217-D219 PolarHBondContact OG-OD2 2.94Å
220H62.7Low63.3Low143 Ų14394.2 Ų94.266%0.66252%0.515SS*.  trans-114.219.5-168.2-61.692000115I218 G222I218-H220 VanDerWaalsContact C-N 3.3Å; H220-G222 PolarHBondContact O-N 3.03Å; H220-G222 VanDerWaalsContact O-N 3.07Å
221C68.8Low65.4Low16 Ų1693.2 Ų93.211%0.10851%0.509CS..SBendtrans-71.75.9174.3-83.70000114.6C258 W264C221-C258 HydrophobicContact CB-CB 3.8Å; C221-C258 WeakPolarHBondContact CB-SG 3.46Å; C221-C258 WeakPolarHBondContact SG-CA 3.45Å; C221-C258 WeakPolarHBondContact SG-CB 3.13Å; C221-C258 CovalentContact SG-SG 1.99Å; C221-C258 PolarHBondContact SG-SG 2.8Å; C221-W264 HydrophobicContact CB-CD2 4.05Å; C221-W264 HydrophobicContact CB-CH2 4.29Å; C221-W264 HydrophobicContact CB-CZ2 3.68Å; C221-W264 PolarHBondContact O-NE1 2.85Å
222G67.8Low67.5Low65 Ų6591.4 Ų91.467%0.6750%0.499SS*.  trans64.8-155.3-179.200000111.5H220H220-G222 PolarHBondContact O-N 3.03Å; H220-G222 VanDerWaalsContact O-N 3.07Å
223E77Confident69.3Low182 Ų18286.8 Ų86.885%0.8548%0.484SS*.SBendtrans-67150.9179.6-65.2-177.8176.100112.1W264E223-W264 PolarHBondContact O-NE1 3.44Å
224I81.7Confident71Confident63 Ų6384.8 Ų84.832%0.32347%0.466SS..PPolyproline II helixtrans-61.7130.9176.1-65.5173.7000108.9H226 V240 Y242I224-H226 PolarHBondContact O-N 2.88Å; I224-V240 HydrophobicContact CD1-CG2 4.5Å; I224-V240 HydrophobicContact CG1-CG2 4.33Å; I224-V240 HydrophobicContact CG2-CG1 4.15Å; I224-V240 HydrophobicContact CG2-CG2 4.24Å; I224-Y242 WeakPolarHBondContact CG2-OH 3.41Å
225P85.2Confident72.7Confident24 Ų2486 Ų8616%0.15647%0.465CS..PPolyproline II helixtrans-59.2128.6-176.8-26.736.5000112.1V227 Y242 V256 W264 V267P225-V227 PolarHBondContact O-N 2.82Å; P225-Y242 WeakPolarHBondContact CD-OH 2.97Å; P225-Y242 WeakPolarHBondContact O-CE1 3.01Å; P225-Y242 PolarHBondContact O-OH 3.07Å; P225-V256 HydrophobicContact CG-CG1 4.37Å; P225-W264 HydrophobicContact CG-CB 3.89Å; P225-W264 VanDerWaalsContact CG-CD1 3.4Å; P225-W264 HydrophobicContact CG-CD2 3.92Å; P225-W264 HydrophobicContact CG-CG 3.45Å; P225-W264 VanDerWaalsContact CG-CG 3.45Å; P225-V267 HydrophobicContact CB-CG1 4.1Å; P225-V267 HydrophobicContact CB-CG2 3.72Å; P225-V267 HydrophobicContact CG-CG2 4Å
226H87.4Confident74.3Confident161 Ų16179.4 Ų79.475%0.74544%0.437SS*.PPolyproline II helixtrans-72.6124.8173.3176.2-104.2000110.2I224I224-H226 PolarHBondContact O-N 2.88Å
227V88.1Confident75.5Confident2 Ų283 Ų831%0.01245%0.446CS..  trans-109.9109.7174.2-179.20000108.2P225 N229 G230 Y242 V267 P268P225-V227 PolarHBondContact O-N 2.82Å; V227-N229 PolarHBondContact O-N 3.09Å; V227-G230 CarbonylContact O-C 3.52Å; V227-G230 WeakPolarHBondContact O-CA 3.32Å; V227-G230 PolarHBondContact O-N 3.29Å; V227-Y242 HydrophobicContact CB-CD1 3.86Å; V227-Y242 HydrophobicContact CB-CE1 4.03Å; V227-Y242 HydrophobicContact CG2-CD1 3.5Å; V227-Y242 HydrophobicContact CG2-CD2 4.41Å; V227-Y242 HydrophobicContact CG2-CE1 3.45Å; V227-Y242 VanDerWaalsContact CG2-CE1 3.45Å; V227-Y242 HydrophobicContact CG2-CE2 4.4Å; V227-Y242 HydrophobicContact CG2-CG 3.98Å; V227-V267 HydrophobicContact CG2-CG1 3.36Å; V227-P268 WeakPolarHBondContact CG1-O 3.18Å; V227-P268 HydrophobicContact CG2-CG 4.46Å
228P86.1Confident76.9Confident81 Ų8187.7 Ų87.753%0.52646%0.456SS..THydrogen-bonded Turntrans-55.5132175.2-2534.2000111.2G230 C270P228-G230 PolarHBondContact O-N 3.17Å; P228-G230 VanDerWaalsContact O-N 3.13Å; P228-C270 WeakPolarHBondContact O-CB 3.04Å
229N87.8Confident78.4Confident60 Ų6088 Ų8832%0.32146%0.455SS..THydrogen-bonded Turntrans56.819.4-173.9-51.1-48.8000114.3V227 C244 Q245 Y248 C270V227-N229 PolarHBondContact O-N 3.09Å; N229-C244 CarbonylContact O-C 3.48Å; N229-C244 WeakPolarHBondContact O-CA 3.42Å; N229-Q245 WeakPolarHBondContact O-CB 3.29Å; N229-Q245 WeakPolarHBondContact O-CG 3.41Å; N229-Q245 PolarHBondContact O-N 2.79Å; N229-Y248 HydrophobicContact CB-CD1 3.86Å; N229-Y248 HydrophobicContact CB-CD2 3.91Å; N229-Y248 HydrophobicContact CB-CE1 3.92Å; N229-Y248 HydrophobicContact CB-CE2 3.97Å; N229-Y248 HydrophobicContact CB-CG 3.86Å; N229-Y248 VanDerWaalsContact CG-CZ 3.48Å; N229-Y248 WeakPolarHBondContact ND2-CE1 3.44Å; N229-Y248 VanDerWaalsContact ND2-CZ 3.28Å; N229-Y248 PolarHBondContact ND2-OH 3Å; N229-C270 HydrophobicContact CB-CB 4.11Å; N229-C270 PolarHBondContact O-SG 3.49Å; N229-C270 VanDerWaalsContact O-SG 3.41Å
230G86.7Confident79.9Confident8 Ų882 Ų828%0.08242%0.422CS..EExtended strand (participates in β ladder)trans-123.6148.3175.400000111.5V227 P228 K243V227-G230 CarbonylContact O-C 3.52Å; V227-G230 WeakPolarHBondContact O-CA 3.32Å; V227-G230 PolarHBondContact O-N 3.29Å; P228-G230 PolarHBondContact O-N 3.17Å; P228-G230 VanDerWaalsContact O-N 3.13Å; G230-K243 CarbonylContact C-O 3.57Å; G230-K243 WeakPolarHBondContact CA-O 3.3Å
231L85.4Confident81.1Confident94 Ų9477.8 Ų77.849%0.49240%0.402SS..EExtended strand (participates in β ladder)trans-127.3138.1-180-64.9168.2000109.6V233 Y242 K243 Q245L231-V233 PolarHBondContact O-N 3.2Å; L231-Y242 WeakPolarHBondContact O-CA 3Å; L231-K243 PolarHBondContact N-O 3.03Å; L231-K243 PolarHBondContact O-N 2.84Å; L231-Q245 HydrophobicContact CD1-CG 4.07Å; L231-Q245 HydrophobicContact CG-CG 4.25Å
232P85.1Confident82Confident70 Ų7077.2 Ų77.246%0.45540%0.398SS..EExtended strand (participates in β ladder)trans-69.6124.1172.329.5-32.3000109.2V240 K241 Y242P232-V240 HydrophobicContact CB-CG1 3.66Å; P232-K241 CarbonylContact C-O 3.47Å; P232-K241 WeakPolarHBondContact CA-O 3.44Å; P232-Y242 HydrophobicContact CB-CE1 4.25Å
233V88.3Confident83Confident89 Ų8980.8 Ų80.854%0.53940%0.395SS..EExtended strand (participates in β ladder)trans-109.5-18.1-177.9-67.70000113.1L231 K241 K243L231-V233 PolarHBondContact O-N 3.2Å; V233-K241 HydrophobicContact CG2-CB 4.16Å; V233-K241 PolarHBondContact N-O 3.05Å; V233-K243 HydrophobicContact CB-CB 4.43Å; V233-K243 HydrophobicContact CG1-CB 3.47Å; V233-K243 VanDerWaalsContact CG1-CB 3.47Å; V233-K243 HydrophobicContact CG1-CD 4.33Å; V233-K243 HydrophobicContact CG2-CB 4.08Å
234Q79Confident83.7Confident73 Ų7372.9 Ų72.934%0.34136%0.36SS..EExtended strand (participates in β ladder)trans-148.8129.8176.5-171.3-179.5400109.2Y239 V240 K241Q234-Y239 PolarHBondContact NE2-OH 2.04Å; Q234-V240 CarbonylContact O-C 3.56Å; Q234-V240 WeakPolarHBondContact O-CA 3.4Å; Q234-K241 HydrophobicContact CB-CB 4.08Å; Q234-K241 HydrophobicContact CB-CD 4.41Å; Q234-K241 HydrophobicContact CB-CG 4.35Å; Q234-K241 PolarHBondContact O-N 2.92Å
235Q76.3Confident83.8Confident132 Ų13273.9 Ų73.962%0.61736%0.363SS*.EExtended strand (participates in β ladder)trans-126.5127.4177.3178.6175.7-8.500110V240Q235-V240 HydrophobicContact CG-CG2 4.25Å
236E74.7Confident83.7Confident71 Ų7178.8 Ų78.833%0.33239%0.388SS..EExtended strand (participates in β ladder)trans-126.7172.5171.7-74.3-162.9-150.900110.6R199 R238 Y239R199-E236 IonicContact NH2-OE2 3.5Å; R199-E236 PolarHBondContact NH2-OE2 2.77Å; E236-R238 PolarHBondContact O-N 3.27Å; E236-Y239 HydrophobicContact CB-CD1 3.96Å; E236-Y239 HydrophobicContact CB-CE1 3.62Å; E236-Y239 HydrophobicContact CB-CE2 4.44Å; E236-Y239 HydrophobicContact CB-CG 4.5Å; E236-Y239 VanDerWaalsContact CD-CE1 3.47Å; E236-Y239 VanDerWaalsContact CD-CZ 3.44Å; E236-Y239 HydrophobicContact CG-CE1 3.89Å; E236-Y239 HydrophobicContact CG-CE2 4.41Å; E236-Y239 PolarHBondContact N-O 3.42Å; E236-Y239 PolarHBondContact O-N 2.96Å; E236-Y239 PolarHBondContact OE1-OH 2.79Å; E236-Y239 WeakPolarHBondContact OE2-CE1 3.3Å
237Q67.4Low83.4Confident185 Ų18574.1 Ų74.186%0.86437%0.366SS*.THydrogen-bonded Turntrans-54.2-22.2-176.9-71.3-179.5-23.400115
238R74Confident83.3Confident152 Ų15276.9 Ų76.957%0.57438%0.376SS*.THydrogen-bonded Turntrans-130.71.4-176-67.5-166.7-70.2172.3-6114.7I218 E236 V257 C258I218-R238 HydrophobicContact CD1-CG 4.37Å; E236-R238 PolarHBondContact O-N 3.27Å; R238-V257 CarbonylContact O-C 3.51Å; R238-V257 WeakPolarHBondContact O-CA 3.3Å; R238-C258 PolarHBondContact O-N 1.99Å
239Y83.6Confident83.5Confident50 Ų5078.7 Ų78.720%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-159.2157.9-179.471.2-93.1000112.8Q234 E236 K241 T255 V256Q234-Y239 PolarHBondContact NE2-OH 2.04Å; E236-Y239 HydrophobicContact CB-CD1 3.96Å; E236-Y239 HydrophobicContact CB-CE1 3.62Å; E236-Y239 HydrophobicContact CB-CE2 4.44Å; E236-Y239 HydrophobicContact CB-CG 4.5Å; E236-Y239 VanDerWaalsContact CD-CE1 3.47Å; E236-Y239 VanDerWaalsContact CD-CZ 3.44Å; E236-Y239 HydrophobicContact CG-CE1 3.89Å; E236-Y239 HydrophobicContact CG-CE2 4.41Å; E236-Y239 PolarHBondContact N-O 3.42Å; E236-Y239 PolarHBondContact O-N 2.96Å; E236-Y239 PolarHBondContact OE1-OH 2.79Å; E236-Y239 WeakPolarHBondContact OE2-CE1 3.3Å; Y239-K241 HydrophobicContact CD2-CG 4.2Å; Y239-K241 HydrophobicContact CE2-CG 4.05Å; Y239-T255 HydrophobicContact CD2-CG2 3.49Å; Y239-T255 VanDerWaalsContact CD2-CG2 3.49Å; Y239-T255 HydrophobicContact CE2-CG2 4.29Å; Y239-T255 HydrophobicContact CG-CG2 3.8Å; Y239-V256 CarbonylContact C-O 3.52Å; Y239-V256 WeakPolarHBondContact CA-O 3.23Å; Y239-V256 VanDerWaalsContact CB-O 3.3Å; Y239-V256 WeakPolarHBondContact CB-O 3.28Å
240V85.2Confident83.6Confident0 Ų078.1 Ų78.10%037%0.372CS..EExtended strand (participates in β ladder)trans-128.2132.5173.6-175.50000108.4I224 P232 Q234 Q235 Y242 V256 W264I224-V240 HydrophobicContact CD1-CG2 4.5Å; I224-V240 HydrophobicContact CG1-CG2 4.33Å; I224-V240 HydrophobicContact CG2-CG1 4.15Å; I224-V240 HydrophobicContact CG2-CG2 4.24Å; P232-V240 HydrophobicContact CB-CG1 3.66Å; Q234-V240 CarbonylContact O-C 3.56Å; Q234-V240 WeakPolarHBondContact O-CA 3.4Å; Q235-V240 HydrophobicContact CG-CG2 4.25Å; V240-Y242 HydrophobicContact CB-CE2 3.89Å; V240-Y242 HydrophobicContact CG1-CD2 4.21Å; V240-Y242 HydrophobicContact CG1-CE2 3.59Å; V240-V256 PolarHBondContact N-O 3.07Å; V240-V256 PolarHBondContact O-N 2.93Å; V240-W264 HydrophobicContact CG2-CH2 3.84Å; V240-W264 HydrophobicContact CG2-CZ3 4.11Å
241K88.3Confident83.9Confident55 Ų5580.5 Ų80.524%0.23939%0.385CS..EExtended strand (participates in β ladder)trans-98.4140.8170.3-64.7-169.4-175.1162.70111P232 V233 Q234 Y239 E254 T255P232-K241 CarbonylContact C-O 3.47Å; P232-K241 WeakPolarHBondContact CA-O 3.44Å; V233-K241 HydrophobicContact CG2-CB 4.16Å; V233-K241 PolarHBondContact N-O 3.05Å; Q234-K241 HydrophobicContact CB-CB 4.08Å; Q234-K241 HydrophobicContact CB-CD 4.41Å; Q234-K241 HydrophobicContact CB-CG 4.35Å; Q234-K241 PolarHBondContact O-N 2.92Å; Y239-K241 HydrophobicContact CD2-CG 4.2Å; Y239-K241 HydrophobicContact CE2-CG 4.05Å; K241-E254 WeakPolarHBondContact CA-O 3.47Å; K241-T255 HydrophobicContact CG-CG2 4.3Å
242Y87.3Confident84Confident4 Ų478.5 Ų78.52%0.01639%0.387CS..EExtended strand (participates in β ladder)trans-114.4144.4178.9-69.3-97.7000111.3I224 P225 V227 L231 P232 V240 L250 E254 V256 P268I224-Y242 WeakPolarHBondContact CG2-OH 3.41Å; P225-Y242 WeakPolarHBondContact CD-OH 2.97Å; P225-Y242 WeakPolarHBondContact O-CE1 3.01Å; P225-Y242 PolarHBondContact O-OH 3.07Å; V227-Y242 HydrophobicContact CB-CD1 3.86Å; V227-Y242 HydrophobicContact CB-CE1 4.03Å; V227-Y242 HydrophobicContact CG2-CD1 3.5Å; V227-Y242 HydrophobicContact CG2-CD2 4.41Å; V227-Y242 HydrophobicContact CG2-CE1 3.45Å; V227-Y242 VanDerWaalsContact CG2-CE1 3.45Å; V227-Y242 HydrophobicContact CG2-CE2 4.4Å; V227-Y242 HydrophobicContact CG2-CG 3.98Å; L231-Y242 WeakPolarHBondContact O-CA 3Å; P232-Y242 HydrophobicContact CB-CE1 4.25Å; V240-Y242 HydrophobicContact CB-CE2 3.89Å; V240-Y242 HydrophobicContact CG1-CD2 4.21Å; V240-Y242 HydrophobicContact CG1-CE2 3.59Å; Y242-L250 WeakPolarHBondContact O-CD1 3.45Å; Y242-E254 PolarHBondContact N-O 2.92Å; Y242-E254 VanDerWaalsContact N-O 3.07Å; Y242-V256 HydrophobicContact CD2-CG2 3.78Å; Y242-V256 HydrophobicContact CE2-CB 4.13Å; Y242-V256 HydrophobicContact CE2-CG2 3.62Å; Y242-P268 HydrophobicContact CD2-CG 4.22Å; Y242-P268 HydrophobicContact CG-CG 4.25Å
243K88.4Confident84Confident140 Ų14077.1 Ų77.161%0.60938%0.378SS*.EExtended strand (participates in β ladder)trans-121.8139.2167-171.8177.9177.4178.50108.5G230 L231 V233G230-K243 CarbonylContact C-O 3.57Å; G230-K243 WeakPolarHBondContact CA-O 3.3Å; L231-K243 PolarHBondContact N-O 3.03Å; L231-K243 PolarHBondContact O-N 2.84Å; V233-K243 HydrophobicContact CB-CB 4.43Å; V233-K243 HydrophobicContact CG1-CB 3.47Å; V233-K243 VanDerWaalsContact CG1-CB 3.47Å; V233-K243 HydrophobicContact CG1-CD 4.33Å; V233-K243 HydrophobicContact CG2-CB 4.08Å
244C90.9Very high83.8Confident17 Ų1778.3 Ų78.312%0.11538%0.378CS..EExtended strand (participates in β ladder)trans-75.9148.6175-62.30000111.4N229 Y248 L250 C270N229-C244 CarbonylContact O-C 3.48Å; N229-C244 WeakPolarHBondContact O-CA 3.42Å; C244-Y248 VanDerWaalsContact CB-O 3.31Å; C244-Y248 WeakPolarHBondContact CB-O 3.14Å; C244-L250 WeakPolarHBondContact SG-CA 3.44Å; C244-L250 PolarHBondContact SG-N 3.38Å; C244-C270 WeakPolarHBondContact CA-SG 3.41Å; C244-C270 HydrophobicContact CB-CB 3.78Å; C244-C270 WeakPolarHBondContact CB-SG 3.08Å; C244-C270 WeakPolarHBondContact SG-CA 3.4Å; C244-C270 WeakPolarHBondContact SG-CB 3.22Å; C244-C270 CovalentContact SG-SG 2.03Å; C244-C270 PolarHBondContact SG-SG 2.99Å
245Q85.3Confident84.1Confident83 Ų8377 Ų7739%0.38838%0.375SS..PPolyproline II helixtrans-62161.7170.3-68.6178-9.500110.3N229 L231 F247 Y248N229-Q245 WeakPolarHBondContact O-CB 3.29Å; N229-Q245 WeakPolarHBondContact O-CG 3.41Å; N229-Q245 PolarHBondContact O-N 2.79Å; L231-Q245 HydrophobicContact CD1-CG 4.07Å; L231-Q245 HydrophobicContact CG-CG 4.25Å; Q245-F247 PolarHBondContact O-N 2.8Å; Q245-Y248 PolarHBondContact O-N 3.03Å
246N82.4Confident84.6Confident128 Ų12870.7 Ų70.768%0.68435%0.345SS*.THydrogen-bonded Turntrans-51.3143179.9-75.5-14000111.2Y248N246-Y248 WeakPolarHBondContact O-CD2 3.3Å; N246-Y248 PolarHBondContact O-N 2.98Å
247F81.6Confident85.1Confident63 Ų6370 Ų7028%0.27635%0.346SS..THydrogen-bonded Turntrans73.2-6-175.7-50.6-78.8000115.5Q245 D273 F274 F292 R294Q245-F247 PolarHBondContact O-N 2.8Å; F247-D273 CarbonylContact O-C 3.59Å; F247-D273 WeakPolarHBondContact O-CA 3.42Å; F247-D273 PolarHBondContact O-N 2.8Å; F247-F274 HydrophobicContact CB-CB 3.88Å; F247-F274 HydrophobicContact CB-CD1 3.54Å; F247-F274 HydrophobicContact CB-CE1 4.24Å; F247-F274 HydrophobicContact CB-CG 3.86Å; F247-F274 HydrophobicContact CD1-CB 3.95Å; F247-F274 HydrophobicContact CG-CB 4.34Å; F247-F274 VanDerWaalsContact O-CD1 3.27Å; F247-F274 WeakPolarHBondContact O-CD1 3.41Å; F247-F292 HydrophobicContact CD1-CB 4.17Å; F247-F292 HydrophobicContact CE1-CB 3.88Å; F247-F292 HydrophobicContact CE2-CB 4.38Å; F247-F292 HydrophobicContact CZ-CB 4Å; F247-R294 HydrophobicContact CD1-CB 4.47Å; F247-R294 HydrophobicContact CD1-CG 3.4Å; F247-R294 HydrophobicContact CE1-CG 3.61Å; F247-R294 HydrophobicContact CG-CG 4.42Å
248Y86.3Confident85.8Confident59 Ų5961.5 Ų61.523%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-106.2142.4173.9-65.8-99.1000111.8N229 C244 Q245 N246 C270 K271 E272N229-Y248 HydrophobicContact CB-CD1 3.86Å; N229-Y248 HydrophobicContact CB-CD2 3.91Å; N229-Y248 HydrophobicContact CB-CE1 3.92Å; N229-Y248 HydrophobicContact CB-CE2 3.97Å; N229-Y248 HydrophobicContact CB-CG 3.86Å; N229-Y248 VanDerWaalsContact CG-CZ 3.48Å; N229-Y248 WeakPolarHBondContact ND2-CE1 3.44Å; N229-Y248 VanDerWaalsContact ND2-CZ 3.28Å; N229-Y248 PolarHBondContact ND2-OH 3Å; C244-Y248 VanDerWaalsContact CB-O 3.31Å; C244-Y248 WeakPolarHBondContact CB-O 3.14Å; Q245-Y248 PolarHBondContact O-N 3.03Å; N246-Y248 WeakPolarHBondContact O-CD2 3.3Å; N246-Y248 PolarHBondContact O-N 2.98Å; Y248-C270 HydrophobicContact CD1-CB 4.35Å; Y248-C270 HydrophobicContact CG-CB 4.45Å; Y248-K271 CarbonylContact C-O 3.43Å; Y248-K271 VanDerWaalsContact CA-O 3.27Å; Y248-K271 WeakPolarHBondContact CA-O 3.41Å; Y248-E272 HydrophobicContact CD1-CG 4.16Å; Y248-E272 HydrophobicContact CE1-CG 3.6Å
249K88.7Confident85.9Confident120 Ų12058.9 Ų58.952%0.52230%0.301SS..EExtended strand (participates in β ladder)trans-105.9138.3175-178.6174.6-1761720111.3V251 C270 K271 D273K249-V251 PolarHBondContact O-N 3.29Å; K249-C270 WeakPolarHBondContact O-CA 3.41Å; K249-K271 PolarHBondContact N-O 2.82Å; K249-K271 PolarHBondContact O-N 2.85Å; K249-D273 HydrophobicContact CB-CB 3.56Å; K249-D273 WeakPolarHBondContact CD-OD2 3.31Å
250L91.6Very high85.2Confident47 Ų4767.1 Ų67.125%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-74.4123.3176.7-167.4142.3000110.3Y242 C244 G252 E254 P268Y242-L250 WeakPolarHBondContact O-CD1 3.45Å; C244-L250 WeakPolarHBondContact SG-CA 3.44Å; C244-L250 PolarHBondContact SG-N 3.38Å; L250-G252 WeakPolarHBondContact CD2-O 3.06Å; L250-E254 HydrophobicContact CD2-CB 4.33Å; L250-P268 HydrophobicContact CD1-CB 4Å; L250-P268 HydrophobicContact CD1-CG 4.24Å; L250-P268 HydrophobicContact CD2-CB 3.97Å; L250-P268 HydrophobicContact CG-CB 3.82Å
251V92.8Very high84.3Confident59 Ų5970.8 Ų70.836%0.35837%0.369SS..EExtended strand (participates in β ladder)trans-121.7117.9175.8-1790000108.6K249 K269 K271K249-V251 PolarHBondContact O-N 3.29Å; V251-K269 PolarHBondContact N-O 3.45Å; V251-K269 PolarHBondContact O-N 3.37Å; V251-K271 HydrophobicContact CB-CD 4.35Å; V251-K271 HydrophobicContact CB-CG 4.26Å; V251-K271 HydrophobicContact CG2-CB 4.08Å; V251-K271 HydrophobicContact CG2-CD 3.89Å; V251-K271 HydrophobicContact CG2-CG 3.85Å
252G87.4Confident83.5Confident51 Ų5169.5 Ų69.553%0.52637%0.371SS..SBendtrans110.9-160.1-173.700000111.7L250 E254L250-G252 WeakPolarHBondContact CD2-O 3.06Å; G252-E254 PolarHBondContact O-N 3.24Å
253P84.3Confident83.1Confident42 Ų4276.9 Ų76.927%0.27340%0.404SS..  trans-75.9125.7-174.529.8-34000111.7T255 E266 P268P253-T255 PolarHBondContact O-N 3.22Å; P253-E266 HydrophobicContact CG-CB 4.25Å; P253-E266 HydrophobicContact CG-CG 4.41Å; P253-E266 WeakPolarHBondContact CG-O 3.34Å; P253-P268 VanDerWaalsContact O-CB 3.24Å; P253-P268 WeakPolarHBondContact O-CB 3.32Å; P253-P268 WeakPolarHBondContact O-CD 3.43Å; P253-P268 VanDerWaalsContact O-CG 3.24Å; P253-P268 WeakPolarHBondContact O-CG 3.44Å
254E83.6Confident83Confident113 Ų11372.5 Ų72.553%0.52838%0.383SS..SBendtrans-61.5-29.9174.1-172.7-171.6172.900112.3K241 Y242 L250 G252K241-E254 WeakPolarHBondContact CA-O 3.47Å; Y242-E254 PolarHBondContact N-O 2.92Å; Y242-E254 VanDerWaalsContact N-O 3.07Å; L250-E254 HydrophobicContact CD2-CB 4.33Å; G252-E254 PolarHBondContact O-N 3.24Å
255T85.6Confident82.7Confident45 Ų4573 Ų7328%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-113.4125-177.4-55.70000111Y239 K241 P253 V257Y239-T255 HydrophobicContact CD2-CG2 3.49Å; Y239-T255 VanDerWaalsContact CD2-CG2 3.49Å; Y239-T255 HydrophobicContact CE2-CG2 4.29Å; Y239-T255 HydrophobicContact CG-CG2 3.8Å; K241-T255 HydrophobicContact CG-CG2 4.3Å; P253-T255 PolarHBondContact O-N 3.22Å; T255-V257 HydrophobicContact CG2-CG2 4.2Å
256V86.5Confident82.9Confident0 Ų076.1 Ų76.10%040%0.402CS..EExtended strand (participates in β ladder)trans-101.4121.5174.7-173.10000109P225 Y239 V240 Y242 W264 S265 V267 P268P225-V256 HydrophobicContact CG-CG1 4.37Å; Y239-V256 CarbonylContact C-O 3.52Å; Y239-V256 WeakPolarHBondContact CA-O 3.23Å; Y239-V256 VanDerWaalsContact CB-O 3.3Å; Y239-V256 WeakPolarHBondContact CB-O 3.28Å; V240-V256 PolarHBondContact N-O 3.07Å; V240-V256 PolarHBondContact O-N 2.93Å; Y242-V256 HydrophobicContact CD2-CG2 3.78Å; Y242-V256 HydrophobicContact CE2-CB 4.13Å; Y242-V256 HydrophobicContact CE2-CG2 3.62Å; V256-W264 HydrophobicContact CG1-CB 3.93Å; V256-W264 HydrophobicContact CG1-CD2 4.31Å; V256-W264 HydrophobicContact CG1-CE3 3.86Å; V256-W264 HydrophobicContact CG1-CG 4.39Å; V256-S265 WeakPolarHBondContact CA-OG 3.34Å; V256-V267 HydrophobicContact CG1-CG2 4.12Å; V256-V267 HydrophobicContact CG2-CG1 4.45Å; V256-P268 HydrophobicContact CG2-CG 4.37Å
257V86.6Confident83.2Confident56 Ų5672.2 Ų72.234%0.33938%0.382SS..EExtended strand (participates in β ladder)trans-105.1135.5-172.3-177.70000110.7R238 T255 W264 S265R238-V257 CarbonylContact O-C 3.51Å; R238-V257 WeakPolarHBondContact O-CA 3.3Å; T255-V257 HydrophobicContact CG2-CG2 4.2Å; V257-W264 CarbonylContact O-C 3.48Å; V257-W264 WeakPolarHBondContact O-CA 3.42Å; V257-S265 PolarHBondContact N-OG 2.71Å; V257-S265 PolarHBondContact O-N 3.38Å
258C80.5Confident83.7Confident7 Ų769.4 Ų69.45%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-83113.9171174.60000109.9I218 C221 R238 W264I218-C258 HydrophobicContact CG2-CB 4.19Å; I218-C258 WeakPolarHBondContact CG2-SG 3.49Å; C221-C258 HydrophobicContact CB-CB 3.8Å; C221-C258 WeakPolarHBondContact CB-SG 3.46Å; C221-C258 WeakPolarHBondContact SG-CA 3.45Å; C221-C258 WeakPolarHBondContact SG-CB 3.13Å; C221-C258 CovalentContact SG-SG 1.99Å; C221-C258 PolarHBondContact SG-SG 2.8Å; R238-C258 PolarHBondContact O-N 1.99Å; C258-W264 HydrophobicContact CB-CE3 3.84Å; C258-W264 HydrophobicContact CB-CH2 4.01Å; C258-W264 HydrophobicContact CB-CZ3 3.57Å
259H77.9Confident84.1Confident98 Ų9873.4 Ų73.445%0.45439%0.389SS..EExtended strand (participates in β ladder)trans-82.8158.6179.1-65-65.6000112.1G261 G262 K263 S265H259-G261 PolarHBondContact O-N 2.8Å; H259-G262 PolarHBondContact O-N 3.37Å; H259-K263 WeakPolarHBondContact CB-O 3.41Å; H259-K263 PolarHBondContact CD2-O 2.91Å; H259-K263 PolarHBondContact N-O 2.94Å; H259-S265 WeakPolarHBondContact NE2-CB 3.39Å
260R68.3Low84.3Confident223 Ų22368.5 Ų68.584%0.84237%0.37SS*.THydrogen-bonded Turntrans-54.7-19.5-178.7-71-175.2-177.8-176.7-0.2114.7I218I218-R260 HydrophobicContact CD1-CG 4.22Å
261G65.9Low84.3Confident76 Ų7672 Ų7278%0.78438%0.383SS*.THydrogen-bonded Turntrans-88.110.9175.500000115.3H259H259-G261 PolarHBondContact O-N 2.8Å
262G71.2Confident84Confident28 Ų2875.6 Ų75.629%0.28940%0.396SS..THydrogen-bonded Turntrans73.526-179.400000113.9H259H259-G262 PolarHBondContact O-N 3.37Å
263K80.1Confident84.2Confident159 Ų15975.3 Ų75.369%0.69138%0.382SS*.EExtended strand (participates in β ladder)trans-121.7131.8-179.4-169.3179.6176.6179.50110.6H259H259-K263 WeakPolarHBondContact CB-O 3.41Å; H259-K263 PolarHBondContact CD2-O 2.91Å; H259-K263 PolarHBondContact N-O 2.94Å
264W85.3Confident84.5Confident48 Ų4874.7 Ų74.718%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-65.8144.3169.5-66.1110000111.3C221 E223 P225 V240 V256 V257 C258C221-W264 HydrophobicContact CB-CD2 4.05Å; C221-W264 HydrophobicContact CB-CH2 4.29Å; C221-W264 HydrophobicContact CB-CZ2 3.68Å; C221-W264 PolarHBondContact O-NE1 2.85Å; E223-W264 PolarHBondContact O-NE1 3.44Å; P225-W264 HydrophobicContact CG-CB 3.89Å; P225-W264 VanDerWaalsContact CG-CD1 3.4Å; P225-W264 HydrophobicContact CG-CD2 3.92Å; P225-W264 HydrophobicContact CG-CG 3.45Å; P225-W264 VanDerWaalsContact CG-CG 3.45Å; V240-W264 HydrophobicContact CG2-CH2 3.84Å; V240-W264 HydrophobicContact CG2-CZ3 4.11Å; V256-W264 HydrophobicContact CG1-CB 3.93Å; V256-W264 HydrophobicContact CG1-CD2 4.31Å; V256-W264 HydrophobicContact CG1-CE3 3.86Å; V256-W264 HydrophobicContact CG1-CG 4.39Å; V257-W264 CarbonylContact O-C 3.48Å; V257-W264 WeakPolarHBondContact O-CA 3.42Å; C258-W264 HydrophobicContact CB-CE3 3.84Å; C258-W264 HydrophobicContact CB-CH2 4.01Å; C258-W264 HydrophobicContact CB-CZ3 3.57Å
265S85.9Confident84.9Confident28 Ų2869.6 Ų69.620%0.19635%0.352CS..  trans-63.6-179.4169.471.50000110.9V256 V257 H259 V267V256-S265 WeakPolarHBondContact CA-OG 3.34Å; V257-S265 PolarHBondContact N-OG 2.71Å; V257-S265 PolarHBondContact O-N 3.38Å; H259-S265 WeakPolarHBondContact NE2-CB 3.39Å; S265-V267 PolarHBondContact O-N 2.8Å
266E87.6Confident85.2Confident148 Ų14871.3 Ų71.369%0.69236%0.359SS*.PPolyproline II helixtrans-52.5137.4171.1-173.2175.5-175.200111.1P253P253-E266 HydrophobicContact CG-CB 4.25Å; P253-E266 HydrophobicContact CG-CG 4.41Å; P253-E266 WeakPolarHBondContact CG-O 3.34Å
267V89Confident85.5Confident46 Ų4671.3 Ų71.328%0.27936%0.359SS..PPolyproline II helixtrans-101.9135.6-175.6-178.90000108.7P225 V227 V256 S265P225-V267 HydrophobicContact CB-CG1 4.1Å; P225-V267 HydrophobicContact CB-CG2 3.72Å; P225-V267 HydrophobicContact CG-CG2 4Å; V227-V267 HydrophobicContact CG2-CG1 3.36Å; V256-V267 HydrophobicContact CG1-CG2 4.12Å; V256-V267 HydrophobicContact CG2-CG1 4.45Å; S265-V267 PolarHBondContact O-N 2.8Å
268P93.2Very high85.8Confident5 Ų570.5 Ų70.53%0.03235%0.353CS..PPolyproline II helixtrans-65.2158.8179.224.4-31.7000112.3V227 Y242 L250 P253 V256V227-P268 WeakPolarHBondContact CG1-O 3.18Å; V227-P268 HydrophobicContact CG2-CG 4.46Å; Y242-P268 HydrophobicContact CD2-CG 4.22Å; Y242-P268 HydrophobicContact CG-CG 4.25Å; L250-P268 HydrophobicContact CD1-CB 4Å; L250-P268 HydrophobicContact CD1-CG 4.24Å; L250-P268 HydrophobicContact CD2-CB 3.97Å; L250-P268 HydrophobicContact CG-CB 3.82Å; P253-P268 VanDerWaalsContact O-CB 3.24Å; P253-P268 WeakPolarHBondContact O-CB 3.32Å; P253-P268 WeakPolarHBondContact O-CD 3.43Å; P253-P268 VanDerWaalsContact O-CG 3.24Å; P253-P268 WeakPolarHBondContact O-CG 3.44Å; V256-P268 HydrophobicContact CG2-CG 4.37Å
269K94.2Very high86.1Confident143 Ų14370.2 Ų70.262%0.62235%0.351SS*.EExtended strand (participates in β ladder)trans-116128.6172-63.6-179.6-177.6177.10109.5V251 K271V251-K269 PolarHBondContact N-O 3.45Å; V251-K269 PolarHBondContact O-N 3.37Å; K269-K271 PolarHBondContact O-N 3.39Å
270C92.7Very high86.5Confident17 Ų1768.3 Ų68.312%0.11535%0.352CS..EExtended strand (participates in β ladder)trans-84.8108.1169.7-66.90000108.7P228 N229 C244 Y248 K249P228-C270 WeakPolarHBondContact O-CB 3.04Å; N229-C270 HydrophobicContact CB-CB 4.11Å; N229-C270 PolarHBondContact O-SG 3.49Å; N229-C270 VanDerWaalsContact O-SG 3.41Å; C244-C270 WeakPolarHBondContact CA-SG 3.41Å; C244-C270 HydrophobicContact CB-CB 3.78Å; C244-C270 WeakPolarHBondContact CB-SG 3.08Å; C244-C270 WeakPolarHBondContact SG-CA 3.4Å; C244-C270 WeakPolarHBondContact SG-CB 3.22Å; C244-C270 CovalentContact SG-SG 2.03Å; C244-C270 PolarHBondContact SG-SG 2.99Å; Y248-C270 HydrophobicContact CD1-CB 4.35Å; Y248-C270 HydrophobicContact CG-CB 4.45Å; K249-C270 WeakPolarHBondContact O-CA 3.41Å
271K91.4Very high87.6Confident119 Ų11964.2 Ų64.252%0.51734%0.343SS..EExtended strand (participates in β ladder)trans-96.9146.8176.3-66.3-162.9-174.6178.50110.1Y248 K249 V251 K269 D273Y248-K271 CarbonylContact C-O 3.43Å; Y248-K271 VanDerWaalsContact CA-O 3.27Å; Y248-K271 WeakPolarHBondContact CA-O 3.41Å; K249-K271 PolarHBondContact N-O 2.82Å; K249-K271 PolarHBondContact O-N 2.85Å; V251-K271 HydrophobicContact CB-CD 4.35Å; V251-K271 HydrophobicContact CB-CG 4.26Å; V251-K271 HydrophobicContact CG2-CB 4.08Å; V251-K271 HydrophobicContact CG2-CD 3.89Å; V251-K271 HydrophobicContact CG2-CG 3.85Å; K269-K271 PolarHBondContact O-N 3.39Å; K271-D273 PolarHBondContact O-N 2.77Å
272E87.3Confident88.7Confident136 Ų13664.3 Ų64.364%0.63632%0.32SS*.EExtended strand (participates in β ladder)trans-56.9128.8174.2-59.2177.9162.300109.7Y248 F274Y248-E272 HydrophobicContact CD1-CG 4.16Å; Y248-E272 HydrophobicContact CE1-CG 3.6Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.65Å; E272-F274 HydrophobicContact CB-CZ 4.4Å; E272-F274 HydrophobicContact CG-CD1 4.49Å; E272-F274 HydrophobicContact CG-CE1 3.69Å; E272-F274 HydrophobicContact CG-CZ 4.23Å
273D91.5Very high89.5Confident44 Ų4468.5 Ų68.524%0.23534%0.342CS..  trans-131.548.5177.5-163.130.7000109.4F247 K249 K271 N295F247-D273 CarbonylContact O-C 3.59Å; F247-D273 WeakPolarHBondContact O-CA 3.42Å; F247-D273 PolarHBondContact O-N 2.8Å; K249-D273 HydrophobicContact CB-CB 3.56Å; K249-D273 WeakPolarHBondContact CD-OD2 3.31Å; K271-D273 PolarHBondContact O-N 2.77Å; D273-N295 VanDerWaalsContact O-CB 3.32Å; D273-N295 WeakPolarHBondContact O-CB 3.39Å; D273-N295 PolarHBondContact O-N 2.81Å; D273-N295 WeakPolarHBondContact OD1-CB 3.42Å; D273-N295 PolarHBondContact OD1-ND2 3.39Å
274F91Very high89.9Confident30 Ų3066 Ų6613%0.13234%0.337CS..EExtended strand (participates in β ladder)trans-148167.3-179.169.1-87.1000110.7F247 E272 L276 F292 I293 C317F247-F274 HydrophobicContact CB-CB 3.88Å; F247-F274 HydrophobicContact CB-CD1 3.54Å; F247-F274 HydrophobicContact CB-CE1 4.24Å; F247-F274 HydrophobicContact CB-CG 3.86Å; F247-F274 HydrophobicContact CD1-CB 3.95Å; F247-F274 HydrophobicContact CG-CB 4.34Å; F247-F274 VanDerWaalsContact O-CD1 3.27Å; F247-F274 WeakPolarHBondContact O-CD1 3.41Å; E272-F274 HydrophobicContact CB-CD1 3.97Å; E272-F274 HydrophobicContact CB-CE1 3.65Å; E272-F274 HydrophobicContact CB-CZ 4.4Å; E272-F274 HydrophobicContact CG-CD1 4.49Å; E272-F274 HydrophobicContact CG-CE1 3.69Å; E272-F274 HydrophobicContact CG-CZ 4.23Å; F274-L276 HydrophobicContact CE2-CB 4.45Å; F274-F292 AromaticContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CE1 4.45Å; F274-F292 AromaticContact CE2-CD1 3.43Å; F274-F292 HydrophobicContact CE2-CD1 3.43Å; F274-F292 VanDerWaalsContact CE2-CD1 3.43Å; F274-F292 AromaticContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CZ-CD1 4.17Å; F274-F292 HydrophobicContact CZ-CE1 4.26Å; F274-I293 CarbonylContact C-O 3.49Å; F274-I293 WeakPolarHBondContact CA-O 3.41Å; F274-I293 VanDerWaalsContact CB-O 3.31Å; F274-I293 WeakPolarHBondContact CB-O 3.16Å; F274-C317 VanDerWaalsContact C-SG 3.5Å
275C92Very high90Very high5 Ų564.1 Ų64.13%0.03433%0.33CS..EExtended strand (participates in β ladder)trans-116.4135.7171-63.30000109I293 C317 L322C275-I293 PolarHBondContact N-O 3.45Å; C275-I293 PolarHBondContact O-N 3.04Å; C275-C317 HydrophobicContact CB-CB 3.56Å; C275-C317 WeakPolarHBondContact CB-SG 2.99Å; C275-C317 PolarHBondContact N-SG 2.96Å; C275-C317 WeakPolarHBondContact SG-CA 2.99Å; C275-C317 WeakPolarHBondContact SG-CB 3.2Å; C275-C317 CovalentContact SG-SG 2.04Å; C275-C317 PolarHBondContact SG-SG 3.17Å; C275-L322 HydrophobicContact CB-CB 3.94Å; C275-L322 HydrophobicContact CB-CD1 3.79Å; C275-L322 HydrophobicContact CB-CG 4.41Å; C275-L322 PolarHBondContact SG-N 3.39Å; C275-L322 VanDerWaalsContact SG-N 3.4Å
276L91.6Very high90.2Very high82 Ų8266.6 Ų66.643%0.42934%0.34SS..EExtended strand (participates in β ladder)trans-92.1115172.9179.364.4000109.3F274 N290 F292F274-L276 HydrophobicContact CE2-CB 4.45Å; L276-N290 HydrophobicContact CD1-CB 3.73Å; L276-F292 HydrophobicContact CD1-CD1 4.05Å; L276-F292 HydrophobicContact CD1-CE1 3.77Å; L276-F292 HydrophobicContact CD1-CE2 4.5Å; L276-F292 HydrophobicContact CD1-CZ 4.02Å
277L92.7Very high90.2Very high0 Ų064.8 Ų64.80%034%0.335CS..EExtended strand (participates in β ladder)trans-96.3106.6167173.567.1000108.9T279 Y282 L285 T291 I293 P301 A315 L322 V324L277-T279 HydrophobicContact CD2-CG2 4.27Å; L277-T279 HydrophobicContact CG-CG2 4.26Å; L277-T279 PolarHBondContact O-N 2.91Å; L277-Y282 HydrophobicContact CD1-CD2 3.78Å; L277-Y282 HydrophobicContact CD1-CE2 3.42Å; L277-Y282 VanDerWaalsContact CD1-CE2 3.42Å; L277-L285 HydrophobicContact CD2-CD1 4.45Å; L277-T291 PolarHBondContact N-O 2.9Å; L277-T291 PolarHBondContact O-N 3.23Å; L277-I293 HydrophobicContact CB-CD1 4.14Å; L277-I293 HydrophobicContact CD2-CD1 4.46Å; L277-P301 HydrophobicContact CD2-CB 4.38Å; L277-P301 HydrophobicContact CD2-CG 3.4Å; L277-P301 VanDerWaalsContact CD2-CG 3.4Å; L277-A315 HydrophobicContact CD2-CB 4.04Å; L277-L322 HydrophobicContact CB-CD1 4.42Å; L277-L322 HydrophobicContact CB-CD2 4.03Å; L277-L322 HydrophobicContact CD1-CD2 3.88Å; L277-V324 HydrophobicContact CD1-CG2 4.11Å
278N91.6Very high89.9Confident38 Ų3867.4 Ų67.420%0.20335%0.351CS..EExtended strand (participates in β ladder)trans-86.6102.1169-178.51.2000109.3A280 E281 Y282N278-A280 PolarHBondContact O-N 2.7Å; N278-A280 WeakPolarHBondContact OD1-CB 3.34Å; N278-A280 PolarHBondContact OD1-N 2.87Å; N278-E281 HydrophobicContact CB-CG 4.21Å; N278-E281 PolarHBondContact ND2-OE1 2.95Å; N278-E281 WeakPolarHBondContact O-CB 3.44Å; N278-E281 PolarHBondContact O-N 2.85Å; N278-E281 VanDerWaalsContact O-N 3.09Å; N278-Y282 WeakPolarHBondContact O-CD2 3.43Å
279T87.9Confident89.6Confident1 Ų168.3 Ų68.31%0.00636%0.361CS..G310 helixtrans-64.4-21.1-176.355.50000113.5L277 E281 Y282 L285 T288 G289L277-T279 HydrophobicContact CD2-CG2 4.27Å; L277-T279 HydrophobicContact CG-CG2 4.26Å; L277-T279 PolarHBondContact O-N 2.91Å; T279-E281 PolarHBondContact O-N 3.24Å; T279-Y282 PolarHBondContact O-N 3.14Å; T279-L285 HydrophobicContact CG2-CD1 4.23Å; T279-T288 PolarHBondContact OG1-N 2.76Å; T279-G289 PolarHBondContact N-O 3.5Å; T279-G289 PolarHBondContact OG1-N 2.58Å; T279-G289 PolarHBondContact OG1-O 2.81Å
280A86.6Confident89.3Confident59 Ų5965.9 Ų65.949%0.48836%0.355SS..G310 helixtrans-67.9-20.1175.500000113.3N278 Y282N278-A280 PolarHBondContact O-N 2.7Å; N278-A280 WeakPolarHBondContact OD1-CB 3.34Å; N278-A280 PolarHBondContact OD1-N 2.87Å; A280-Y282 VanDerWaalsContact C-N 3.3Å
281E90.9Very high88.9Confident136 Ų13666.8 Ų66.864%0.63636%0.36SS*.G310 helixtrans-82.5-9.6176.9-68.7171.8-155.700112.8N278 T279N278-E281 HydrophobicContact CB-CG 4.21Å; N278-E281 PolarHBondContact ND2-OE1 2.95Å; N278-E281 WeakPolarHBondContact O-CB 3.44Å; N278-E281 PolarHBondContact O-N 2.85Å; N278-E281 VanDerWaalsContact O-N 3.09Å; T279-E281 PolarHBondContact O-N 3.24Å
282Y88.4Confident88.8Confident79 Ų7965.8 Ų65.831%0.3136%0.356SS..  trans-114.6102.1-178-65-96.6000109.6L277 N278 T279 A280 D284 L285 V324L277-Y282 HydrophobicContact CD1-CD2 3.78Å; L277-Y282 HydrophobicContact CD1-CE2 3.42Å; L277-Y282 VanDerWaalsContact CD1-CE2 3.42Å; N278-Y282 WeakPolarHBondContact O-CD2 3.43Å; T279-Y282 PolarHBondContact O-N 3.14Å; A280-Y282 VanDerWaalsContact C-N 3.3Å; Y282-D284 PolarHBondContact O-N 3.32Å; Y282-D284 VanDerWaalsContact O-N 3.11Å; Y282-L285 HydrophobicContact CD2-CD1 4.39Å; Y282-L285 HydrophobicContact CG-CD1 4Å; Y282-L285 PolarHBondContact O-N 2.98Å; Y282-V324 HydrophobicContact CD1-CG1 4.31Å; Y282-V324 HydrophobicContact CE1-CB 4.03Å; Y282-V324 HydrophobicContact CE1-CG1 3.99Å; Y282-V324 HydrophobicContact CE1-CG2 4.04Å
283P88.4Confident89Confident115 Ų11559.3 Ų59.375%0.74733%0.326SS*.THydrogen-bonded Turntrans-64-21.6-174.225.2-34.1000113.6L285P283-L285 VanDerWaalsContact C-N 3.31Å
284D87.9Confident88.9Confident108 Ų10862.1 Ų62.158%0.57833%0.333SS*.THydrogen-bonded Turntrans-82.6-6.3178.2-61.4-32.9000113.1Y282 C303 V304Y282-D284 PolarHBondContact O-N 3.32Å; Y282-D284 VanDerWaalsContact O-N 3.11Å; D284-C303 CarbonylContact O-C 3.46Å; D284-C303 WeakPolarHBondContact O-CA 3.44Å; D284-C303 WeakPolarHBondContact O-CB 3.19Å; D284-V304 PolarHBondContact O-N 3.11Å
285L89.3Confident88.8Confident8 Ų863.2 Ų63.24%0.04234%0.34CS..BIsolated β-bridgetrans-102.3146.4-179.2-63.2-174000112.4L277 T279 Y282 P283 N287 P301 V304 V313L277-L285 HydrophobicContact CD2-CD1 4.45Å; T279-L285 HydrophobicContact CG2-CD1 4.23Å; Y282-L285 HydrophobicContact CD2-CD1 4.39Å; Y282-L285 HydrophobicContact CG-CD1 4Å; Y282-L285 PolarHBondContact O-N 2.98Å; P283-L285 VanDerWaalsContact C-N 3.31Å; L285-N287 PolarHBondContact O-N 3.32Å; L285-P301 HydrophobicContact CD1-CB 4.16Å; L285-P301 HydrophobicContact CD2-CB 4.16Å; L285-V304 VanDerWaalsContact O-CG2 3.24Å; L285-V304 WeakPolarHBondContact O-CG2 3.1Å; L285-V313 HydrophobicContact CD1-CG2 4.21Å; L285-V313 HydrophobicContact CD2-CB 4.26Å; L285-V313 HydrophobicContact CD2-CG1 3.59Å; L285-V313 HydrophobicContact CD2-CG2 3.66Å
286I88.3Confident88.7Confident80 Ų8066.2 Ų66.241%0.4137%0.372SS..  trans-64121.5167.2-60.7178.9000107.3T288 K302 V304I286-T288 HydrophobicContact CG2-CG2 4.27Å; I286-T288 PolarHBondContact O-N 2.62Å; I286-K302 HydrophobicContact CD1-CB 3.82Å; I286-K302 HydrophobicContact CG1-CB 4.38Å; I286-K302 PolarHBondContact N-O 2.94Å; I286-V304 HydrophobicContact CG1-CG2 4.33Å
287N87.4Confident88.7Confident110 Ų11065.6 Ų65.659%0.58837%0.367SS*.  trans-69.2101.8179.6-174.8-2.4000110.4L285 G289L285-N287 PolarHBondContact O-N 3.32Å; N287-G289 PolarHBondContact OD1-N 3.44Å; N287-G289 VanDerWaalsContact OD1-N 3.1Å
288T84.8Confident88.7Confident100 Ų10067.6 Ų67.661%0.61338%0.379SS*.  trans-108.56173.256.10000111.9T279 I286T279-T288 PolarHBondContact OG1-N 2.76Å; I286-T288 HydrophobicContact CG2-CG2 4.27Å; I286-T288 PolarHBondContact O-N 2.62Å
289G85.8Confident88.8Confident24 Ų2469.6 Ų69.625%0.24739%0.388CS..  trans79.6-141.5-174.300000113.1T279 N287T279-G289 PolarHBondContact N-O 3.5Å; T279-G289 PolarHBondContact OG1-N 2.58Å; T279-G289 PolarHBondContact OG1-O 2.81Å; N287-G289 PolarHBondContact OD1-N 3.44Å; N287-G289 VanDerWaalsContact OD1-N 3.1Å
290N87.4Confident89Confident92 Ų9273.8 Ų73.849%0.49240%0.404SS..EExtended strand (participates in β ladder)trans-84.1123.9-173.9-76.4-11.1000111.9L276 F292L276-N290 HydrophobicContact CD1-CB 3.73Å; N290-F292 HydrophobicContact CB-CE2 4.45Å
291T85.7Confident89.3Confident37 Ų3771.9 Ų71.923%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-113.6127.3173.2-56.70000109.7L277 I293 E299L277-T291 PolarHBondContact N-O 2.9Å; L277-T291 PolarHBondContact O-N 3.23Å; T291-I293 HydrophobicContact CG2-CG1 4.36Å; T291-E299 HydrophobicContact CG2-CG 4.45Å
292F88.9Confident89.3Confident97 Ų9770.4 Ų70.443%0.42538%0.378SS..EExtended strand (participates in β ladder)trans-98.7119.3179.2-61.4-90.9000109.9F247 F274 L276 N290F247-F292 HydrophobicContact CD1-CB 4.17Å; F247-F292 HydrophobicContact CE1-CB 3.88Å; F247-F292 HydrophobicContact CE2-CB 4.38Å; F247-F292 HydrophobicContact CZ-CB 4Å; F274-F292 AromaticContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CD1 3.66Å; F274-F292 HydrophobicContact CD2-CE1 4.45Å; F274-F292 AromaticContact CE2-CD1 3.43Å; F274-F292 HydrophobicContact CE2-CD1 3.43Å; F274-F292 VanDerWaalsContact CE2-CD1 3.43Å; F274-F292 AromaticContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CE2-CE1 3.77Å; F274-F292 HydrophobicContact CZ-CD1 4.17Å; F274-F292 HydrophobicContact CZ-CE1 4.26Å; L276-F292 HydrophobicContact CD1-CD1 4.05Å; L276-F292 HydrophobicContact CD1-CE1 3.77Å; L276-F292 HydrophobicContact CD1-CE2 4.5Å; L276-F292 HydrophobicContact CD1-CZ 4.02Å; N290-F292 HydrophobicContact CB-CE2 4.45Å
293I90.6Very high89.4Confident0 Ų067 Ų670%037%0.366CS..EExtended strand (participates in β ladder)trans-111119-177.2-50.8177.3000107.9F274 C275 L277 T291 E297 E299 A315 C317 L322F274-I293 CarbonylContact C-O 3.49Å; F274-I293 WeakPolarHBondContact CA-O 3.41Å; F274-I293 VanDerWaalsContact CB-O 3.31Å; F274-I293 WeakPolarHBondContact CB-O 3.16Å; C275-I293 PolarHBondContact N-O 3.45Å; C275-I293 PolarHBondContact O-N 3.04Å; L277-I293 HydrophobicContact CB-CD1 4.14Å; L277-I293 HydrophobicContact CD2-CD1 4.46Å; T291-I293 HydrophobicContact CG2-CG1 4.36Å; I293-E297 HydrophobicContact CG2-CB 4.25Å; I293-E299 HydrophobicContact CB-CG 4.49Å; I293-E299 HydrophobicContact CD1-CB 3.93Å; I293-E299 HydrophobicContact CD1-CG 4.21Å; I293-E299 HydrophobicContact CG1-CB 4.1Å; I293-E299 HydrophobicContact CG1-CG 3.79Å; I293-E299 HydrophobicContact CG2-CG 4.23Å; I293-A315 HydrophobicContact CD1-CB 3.67Å; I293-C317 HydrophobicContact CB-CB 4.23Å; I293-C317 HydrophobicContact CG2-CB 3.9Å; I293-L322 HydrophobicContact CD1-CD1 3.81Å
294R89.7Confident89.2Confident103 Ų10365.9 Ų65.939%0.38936%0.357SS..EExtended strand (participates in β ladder)trans-63.3148.8176.8-74.7-173.9-76.7-87-5.3110.5F247 G296 E297 C317F247-R294 HydrophobicContact CD1-CB 4.47Å; F247-R294 HydrophobicContact CD1-CG 3.4Å; F247-R294 HydrophobicContact CE1-CG 3.61Å; F247-R294 HydrophobicContact CG-CG 4.42Å; R294-G296 PolarHBondContact O-N 3.46Å; R294-E297 HydrophobicContact CB-CB 4.33Å; R294-E297 HydrophobicContact CB-CG 3.98Å; R294-E297 WeakPolarHBondContact CB-OE2 3.41Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.18Å; R294-E297 VanDerWaalsContact NE-CD 3.27Å; R294-E297 IonicContact NE-OE1 2.96Å; R294-E297 PolarHBondContact NE-OE1 2.03Å; R294-E297 IonicContact NE-OE2 3.21Å; R294-E297 PolarHBondContact NE-OE2 2.83Å; R294-E297 IonicContact NH2-OE1 2.79Å; R294-E297 PolarHBondContact NH2-OE1 3.29Å; R294-E297 IonicContact NH2-OE2 3.21Å; R294-E297 PolarHBondContact NH2-OE2 3.17Å; R294-E297 WeakPolarHBondContact O-CB 3.12Å; R294-E297 PolarHBondContact O-N 2.94Å; R294-C317 WeakPolarHBondContact O-CB 3.36Å
295N89.3Confident88.6Confident53 Ų5363.6 Ų63.628%0.28334%0.344SS..THydrogen-bonded Turntrans-59.6127.6175-168.126000111.1D273 C317 G319 G320D273-N295 VanDerWaalsContact O-CB 3.32Å; D273-N295 WeakPolarHBondContact O-CB 3.39Å; D273-N295 PolarHBondContact O-N 2.81Å; D273-N295 WeakPolarHBondContact OD1-CB 3.42Å; D273-N295 PolarHBondContact OD1-ND2 3.39Å; N295-C317 PolarHBondContact OD1-O 3.03Å; N295-G319 WeakPolarHBondContact OD1-CA 3.34Å; N295-G319 PolarHBondContact OD1-N 2.8Å; N295-G320 PolarHBondContact OD1-N 2.74Å
296G88.9Confident87.1Confident68 Ų6874.6 Ų74.670%0.70139%0.385SS*.THydrogen-bonded Turntrans89.2-11.1-172.100000115R294 C317R294-G296 PolarHBondContact O-N 3.46Å; G296-C317 PolarHBondContact N-O 2.57Å
297E91.9Very high85.6Confident69 Ų6980.7 Ų80.732%0.32240%0.403SS..  trans-91.6160.7177-67.2-175173.300112.5I293 R294 C317I293-E297 HydrophobicContact CG2-CB 4.25Å; R294-E297 HydrophobicContact CB-CB 4.33Å; R294-E297 HydrophobicContact CB-CG 3.98Å; R294-E297 WeakPolarHBondContact CB-OE2 3.41Å; R294-E297 IonicContact CZ-OE1 2.78Å; R294-E297 IonicContact CZ-OE2 3.18Å; R294-E297 VanDerWaalsContact NE-CD 3.27Å; R294-E297 IonicContact NE-OE1 2.96Å; R294-E297 PolarHBondContact NE-OE1 2.03Å; R294-E297 IonicContact NE-OE2 3.21Å; R294-E297 PolarHBondContact NE-OE2 2.83Å; R294-E297 IonicContact NH2-OE1 2.79Å; R294-E297 PolarHBondContact NH2-OE1 3.29Å; R294-E297 IonicContact NH2-OE2 3.21Å; R294-E297 PolarHBondContact NH2-OE2 3.17Å; R294-E297 WeakPolarHBondContact O-CB 3.12Å; R294-E297 PolarHBondContact O-N 2.94Å; E297-C317 PolarHBondContact O-N 3.11Å
298T93.4Very high84.2Confident42 Ų4281.9 Ų81.926%0.25842%0.415SS..EExtended strand (participates in β ladder)trans-125.7129.5176.9-54.20000109.2Y300 V314 A315 R316T298-Y300 HydrophobicContact CG2-CE1 3.86Å; T298-Y300 HydrophobicContact CG2-CE2 4.2Å; T298-V314 HydrophobicContact CG2-CG1 3.63Å; T298-A315 CarbonylContact C-O 3.6Å; T298-A315 VanDerWaalsContact CA-O 3.31Å; T298-A315 WeakPolarHBondContact CA-O 3.5Å; T298-R316 HydrophobicContact CG2-CG 3.78Å; T298-R316 WeakPolarHBondContact OG1-CG 3.31Å
299E93.4Very high83.5Confident81 Ų8184.3 Ų84.338%0.37942%0.417SS..EExtended strand (participates in β ladder)trans-108.7154.4170.7-77.5-63.2162.500111T291 I293 P301 A315T291-E299 HydrophobicContact CG2-CG 4.45Å; I293-E299 HydrophobicContact CB-CG 4.49Å; I293-E299 HydrophobicContact CD1-CB 3.93Å; I293-E299 HydrophobicContact CD1-CG 4.21Å; I293-E299 HydrophobicContact CG1-CB 4.1Å; I293-E299 HydrophobicContact CG1-CG 3.79Å; I293-E299 HydrophobicContact CG2-CG 4.23Å; E299-P301 VanDerWaalsContact O-CD 3.3Å; E299-P301 WeakPolarHBondContact O-CD 3.2Å; E299-A315 PolarHBondContact N-O 2.79Å; E299-A315 PolarHBondContact O-N 2.85Å
300Y93.1Very high83.2Confident88 Ų8888.7 Ų88.735%0.34544%0.435SS..  trans-120.570.7-180-54.5-81.7000112.7T298 Y312 V313 V314 W330 I333T298-Y300 HydrophobicContact CG2-CE1 3.86Å; T298-Y300 HydrophobicContact CG2-CE2 4.2Å; Y300-Y312 WeakPolarHBondContact O-CD1 3.49Å; Y300-V313 WeakPolarHBondContact CA-O 3.35Å; Y300-V314 HydrophobicContact CD1-CG2 4.37Å; Y300-V314 HydrophobicContact CE1-CG1 4.34Å; Y300-V314 HydrophobicContact CE1-CG2 4.17Å; Y300-W330 HydrophobicContact CD1-CZ3 4.09Å; Y300-W330 HydrophobicContact CD2-CH2 4.21Å; Y300-W330 HydrophobicContact CD2-CZ3 4.35Å; Y300-W330 HydrophobicContact CE2-CH2 4.43Å; Y300-W330 HydrophobicContact CG-CH2 4.28Å; Y300-W330 AromaticContact CG-CZ3 3.95Å; Y300-W330 HydrophobicContact CG-CZ3 3.95Å; Y300-I333 HydrophobicContact CD1-CD1 4.26Å; Y300-I333 HydrophobicContact CD1-CG2 4.23Å; Y300-I333 HydrophobicContact CE1-CG2 3.63Å
301P92.1Very high83.3Confident20 Ų2088.4 Ų88.413%0.1343%0.429CS..PPolyproline II helixtrans-57.8141.3173.9-17.925000112.1L277 L285 E299 Y312 V313 A315L277-P301 HydrophobicContact CD2-CB 4.38Å; L277-P301 HydrophobicContact CD2-CG 3.4Å; L277-P301 VanDerWaalsContact CD2-CG 3.4Å; L285-P301 HydrophobicContact CD1-CB 4.16Å; L285-P301 HydrophobicContact CD2-CB 4.16Å; E299-P301 VanDerWaalsContact O-CD 3.3Å; E299-P301 WeakPolarHBondContact O-CD 3.2Å; P301-Y312 VanDerWaalsContact O-CA 3.28Å; P301-Y312 WeakPolarHBondContact O-CA 3.44Å; P301-V313 HydrophobicContact CB-CG2 3.85Å; P301-V313 HydrophobicContact CG-CG2 3.71Å; P301-V313 PolarHBondContact O-N 3.27Å; P301-A315 HydrophobicContact CG-CB 4.3Å
302K90.3Very high83.6Confident104 Ų10488.6 Ų88.645%0.45243%0.426SS..BIsolated β-bridgetrans-76.7138.9176.8-77.8-178.7179.8-177.30111.4I286 Y312I286-K302 HydrophobicContact CD1-CB 3.82Å; I286-K302 HydrophobicContact CG1-CB 4.38Å; I286-K302 PolarHBondContact N-O 2.94Å; K302-Y312 HydrophobicContact CB-CD1 4.48Å; K302-Y312 HydrophobicContact CB-CE1 4.48Å; K302-Y312 HydrophobicContact CD-CE1 4.06Å; K302-Y312 WeakPolarHBondContact CE-OH 3.25Å; K302-Y312 HydrophobicContact CG-CD1 3.64Å; K302-Y312 HydrophobicContact CG-CE1 3.26Å
303C90.1Very high83.7Confident9 Ų984.2 Ų84.26%0.06141%0.407CS..BIsolated β-bridgetrans-80.7152.5172.9-61.10000111.8D284 D305 K311 C327D284-C303 CarbonylContact O-C 3.46Å; D284-C303 WeakPolarHBondContact O-CA 3.44Å; D284-C303 WeakPolarHBondContact O-CB 3.19Å; C303-D305 PolarHBondContact O-N 2.94Å; C303-K311 HydrophobicContact CB-CB 4.11Å; C303-K311 PolarHBondContact N-O 3.15Å; C303-C327 HydrophobicContact CB-CB 3.93Å; C303-C327 WeakPolarHBondContact CB-SG 3.2Å; C303-C327 VanDerWaalsContact SG-CA 3.58Å; C303-C327 WeakPolarHBondContact SG-CB 3.1Å; C303-C327 CovalentContact SG-SG 2.02Å; C303-C327 PolarHBondContact SG-SG 2.84Å
304V85.9Confident83.9Confident90 Ų9084.6 Ų84.655%0.54541%0.41SS..PPolyproline II helixtrans-67.1121.1165.3-173.50000107.2D284 L285 I286D284-V304 PolarHBondContact O-N 3.11Å; L285-V304 VanDerWaalsContact O-CG2 3.24Å; L285-V304 WeakPolarHBondContact O-CG2 3.1Å; I286-V304 HydrophobicContact CG1-CG2 4.33Å
305D74.2Confident84.1Confident60 Ų6079.7 Ų79.732%0.32139%0.391SS..  trans-112.2144.1177.4-142.6-35.1000112.1C303 W307C303-D305 PolarHBondContact O-N 2.94Å; D305-W307 WeakPolarHBondContact CB-O 3.15Å; D305-W307 PolarHBondContact OD1-N 3.48Å
306R57.2Low84.4Confident239 Ų23981.5 Ų81.590%0.90239%0.394SS*.SBendtrans-99.2-11.7167.1-84.6-176.4173.6179.7-1.2112
307W58.1Low84.6Confident208 Ų20878.2 Ų78.279%0.78836%0.36SS*.SBendtrans-124.9164.3-177.6-63.485.9000110.7D305 F309D305-W307 WeakPolarHBondContact CB-O 3.15Å; D305-W307 PolarHBondContact OD1-N 3.48Å; W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.75Å; W307-F309 VanDerWaalsContact O-N 3.07Å
308T57.4Low84.5Confident136 Ų13680.2 Ų80.283%0.83437%0.372SS*.SBendtrans-76.614-166.637.90000116.6
309F70Confident84.2Confident150 Ų15081.5 Ų81.566%0.65839%0.394SS*.SBendtrans-109.4110.2-176.3-63.3-72.8000112.4W307 K311W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.75Å; W307-F309 VanDerWaalsContact O-N 3.07Å; F309-K311 PolarHBondContact O-N 2.79Å
310N80.6Confident83.6Confident116 Ų11679.6 Ų79.662%0.6240%0.396SS*.  trans-54.9116.1178.6-66.8-44.5000113Y312N310-Y312 HydrophobicContact CB-CE2 3.85Å
311K88.6Confident83.5Confident86 Ų8685.1 Ų85.137%0.37442%0.416SS..EExtended strand (participates in β ladder)trans-109.9151.6172.4-66.8-178.7-172.6177.20112C303 F309 C327 C328C303-K311 HydrophobicContact CB-CB 4.11Å; C303-K311 PolarHBondContact N-O 3.15Å; F309-K311 PolarHBondContact O-N 2.79Å; K311-C327 HydrophobicContact CB-CB 4.45Å; K311-C328 CarbonylContact C-O 3.53Å; K311-C328 WeakPolarHBondContact CA-O 3.44Å
312Y91.6Very high83.6Confident42 Ų4286.4 Ų86.417%0.16542%0.422CS..EExtended strand (participates in β ladder)trans-138153.8-175.7-55.9-94.3000110.8Y300 P301 K302 N310 C328 W330Y300-Y312 WeakPolarHBondContact O-CD1 3.49Å; P301-Y312 VanDerWaalsContact O-CA 3.28Å; P301-Y312 WeakPolarHBondContact O-CA 3.44Å; K302-Y312 HydrophobicContact CB-CD1 4.48Å; K302-Y312 HydrophobicContact CB-CE1 4.48Å; K302-Y312 HydrophobicContact CD-CE1 4.06Å; K302-Y312 WeakPolarHBondContact CE-OH 3.25Å; K302-Y312 HydrophobicContact CG-CD1 3.64Å; K302-Y312 HydrophobicContact CG-CE1 3.26Å; N310-Y312 HydrophobicContact CB-CE2 3.85Å; Y312-C328 PolarHBondContact N-O 2.99Å; Y312-C328 PolarHBondContact O-N 2.93Å; Y312-W330 HydrophobicContact CD2-CE3 4.05Å; Y312-W330 HydrophobicContact CE2-CE3 4.37Å; Y312-W330 HydrophobicContact CG-CE3 4.48Å
313V92.3Very high83.8Confident4 Ų484.4 Ų84.42%0.02442%0.421CS..  trans-97.3157.6165.6-60.70000110.3L285 Y300 P301 V324L285-V313 HydrophobicContact CD1-CG2 4.21Å; L285-V313 HydrophobicContact CD2-CB 4.26Å; L285-V313 HydrophobicContact CD2-CG1 3.59Å; L285-V313 HydrophobicContact CD2-CG2 3.66Å; Y300-V313 WeakPolarHBondContact CA-O 3.35Å; P301-V313 HydrophobicContact CB-CG2 3.85Å; P301-V313 HydrophobicContact CG-CG2 3.71Å; P301-V313 PolarHBondContact O-N 3.27Å; V313-V324 HydrophobicContact CB-CG1 4.32Å; V313-V324 HydrophobicContact CG2-CG1 4.17Å
314V93.8Very high83.9Confident8 Ų885.9 Ų85.95%0.04843%0.43CS..  trans-100104.1170.4-174.70000106.9T298 Y300 R316 S325 I333 C338T298-V314 HydrophobicContact CG2-CG1 3.63Å; Y300-V314 HydrophobicContact CD1-CG2 4.37Å; Y300-V314 HydrophobicContact CE1-CG1 4.34Å; Y300-V314 HydrophobicContact CE1-CG2 4.17Å; V314-R316 HydrophobicContact CG1-CG 4.02Å; V314-S325 PolarHBondContact N-OG 3.1Å; V314-S325 PolarHBondContact O-N 2.63Å; V314-I333 HydrophobicContact CG2-CD1 4.12Å; V314-I333 HydrophobicContact CG2-CG1 3.82Å; V314-I333 HydrophobicContact CG2-CG2 4.1Å; V314-C338 HydrophobicContact CG2-CB 4.29Å
315A94.1Very high84.2Confident0 Ų083 Ų830%041%0.414CS..EExtended strand (participates in β ladder)trans-103.8109.8177.700000109.6L277 I293 T298 E299 P301 S323L277-A315 HydrophobicContact CD2-CB 4.04Å; I293-A315 HydrophobicContact CD1-CB 3.67Å; T298-A315 CarbonylContact C-O 3.6Å; T298-A315 VanDerWaalsContact CA-O 3.31Å; T298-A315 WeakPolarHBondContact CA-O 3.5Å; E299-A315 PolarHBondContact N-O 2.79Å; E299-A315 PolarHBondContact O-N 2.85Å; P301-A315 HydrophobicContact CG-CB 4.3Å; A315-S323 CarbonylContact C-O 3.45Å; A315-S323 WeakPolarHBondContact CA-O 3.37Å
316R94.6Very high85Confident91 Ų9188.7 Ų88.734%0.34344%0.435SS..EExtended strand (participates in β ladder)trans-111.5137.3-178.1-62.9-170.2174.5147.21.8111T298 V314 I318 S323T298-R316 HydrophobicContact CG2-CG 3.78Å; T298-R316 WeakPolarHBondContact OG1-CG 3.31Å; V314-R316 HydrophobicContact CG1-CG 4.02Å; R316-I318 HydrophobicContact CB-CD1 4.25Å; R316-I318 HydrophobicContact CB-CG1 4.15Å; R316-S323 PolarHBondContact N-O 3.33Å; R316-S323 PolarHBondContact O-N 2.73Å
317C93.3Very high86.5Confident0 Ų079.3 Ų79.30%041%0.406CS..EExtended strand (participates in β ladder)trans-99116.7167.5-169.70000110F274 C275 I293 R294 N295 G296 E297F274-C317 VanDerWaalsContact C-SG 3.5Å; C275-C317 HydrophobicContact CB-CB 3.56Å; C275-C317 WeakPolarHBondContact CB-SG 2.99Å; C275-C317 PolarHBondContact N-SG 2.96Å; C275-C317 WeakPolarHBondContact SG-CA 2.99Å; C275-C317 WeakPolarHBondContact SG-CB 3.2Å; C275-C317 CovalentContact SG-SG 2.04Å; C275-C317 PolarHBondContact SG-SG 3.17Å; I293-C317 HydrophobicContact CB-CB 4.23Å; I293-C317 HydrophobicContact CG2-CB 3.9Å; R294-C317 WeakPolarHBondContact O-CB 3.36Å; N295-C317 PolarHBondContact OD1-O 3.03Å; G296-C317 PolarHBondContact N-O 2.57Å; E297-C317 PolarHBondContact O-N 3.11Å
318I91.1Very high88Confident110 Ų11070.3 Ų70.356%0.56437%0.374SS*.EExtended strand (participates in β ladder)trans-126.9110.6-176.2-54.1172.8000109R316 G320 R321R316-I318 HydrophobicContact CB-CD1 4.25Å; R316-I318 HydrophobicContact CB-CG1 4.15Å; I318-G320 PolarHBondContact O-N 2.88Å; I318-R321 PolarHBondContact N-O 3.28Å; I318-R321 WeakPolarHBondContact O-CB 3.09Å; I318-R321 PolarHBondContact O-N 3.01Å
319G85.4Confident89.4Confident69 Ų6966.1 Ų66.171%0.71135%0.349SS*.THydrogen-bonded Turntrans59.532.6-176.600000113.5N295 R321N295-G319 WeakPolarHBondContact OD1-CA 3.34Å; N295-G319 PolarHBondContact OD1-N 2.8Å; G319-R321 PolarHBondContact O-N 2.78Å
320G82.3Confident90Very high42 Ų4264.5 Ų64.543%0.43334%0.339SS..THydrogen-bonded Turntrans76.26.5-17400000114.5N295 I318N295-G320 PolarHBondContact OD1-N 2.74Å; I318-G320 PolarHBondContact O-N 2.88Å
321R90.6Very high90.1Very high204 Ų20463.6 Ų63.677%0.7734%0.337SS*.EExtended strand (participates in β ladder)trans-103.2125.3174.2-167.1175.5-171.21722.9110.6I318 G319I318-R321 PolarHBondContact N-O 3.28Å; I318-R321 WeakPolarHBondContact O-CB 3.09Å; I318-R321 PolarHBondContact O-N 3.01Å; G319-R321 PolarHBondContact O-N 2.78Å
322L93.7Very high89.9Confident47 Ų4761.6 Ų61.625%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-75.2129.4176.8-172.565.9000110.4C275 L277 I293 V324C275-L322 HydrophobicContact CB-CB 3.94Å; C275-L322 HydrophobicContact CB-CD1 3.79Å; C275-L322 HydrophobicContact CB-CG 4.41Å; C275-L322 PolarHBondContact SG-N 3.39Å; C275-L322 VanDerWaalsContact SG-N 3.4Å; L277-L322 HydrophobicContact CB-CD1 4.42Å; L277-L322 HydrophobicContact CB-CD2 4.03Å; L277-L322 HydrophobicContact CD1-CD2 3.88Å; I293-L322 HydrophobicContact CD1-CD1 3.81Å; L322-V324 HydrophobicContact CD1-CG2 4.26Å; L322-V324 HydrophobicContact CD2-CG2 3.81Å; L322-V324 HydrophobicContact CG-CG2 3.72Å
323S94.2Very high89.6Confident62 Ų6260.3 Ų60.343%0.43433%0.328SS..EExtended strand (participates in β ladder)trans-118.8123.8170.6178.60000108.7A315 R316A315-S323 CarbonylContact C-O 3.45Å; A315-S323 WeakPolarHBondContact CA-O 3.37Å; R316-S323 PolarHBondContact N-O 3.33Å; R316-S323 PolarHBondContact O-N 2.73Å
324V92.6Very high89.1Confident40 Ų4067.6 Ų67.624%0.24236%0.36CS..EExtended strand (participates in β ladder)trans-123.9124.4-177.9-170.60000109.2L277 Y282 V313 L322L277-V324 HydrophobicContact CD1-CG2 4.11Å; Y282-V324 HydrophobicContact CD1-CG1 4.31Å; Y282-V324 HydrophobicContact CE1-CB 4.03Å; Y282-V324 HydrophobicContact CE1-CG1 3.99Å; Y282-V324 HydrophobicContact CE1-CG2 4.04Å; V313-V324 HydrophobicContact CB-CG1 4.32Å; V313-V324 HydrophobicContact CG2-CG1 4.17Å; L322-V324 HydrophobicContact CD1-CG2 4.26Å; L322-V324 HydrophobicContact CD2-CG2 3.81Å; L322-V324 HydrophobicContact CG-CG2 3.72Å
325S92.3Very high88.7Confident30 Ų3073.3 Ų73.321%0.2139%0.389CS..  trans-80.1175.7175.777.80000112.2V314 C338V314-S325 PolarHBondContact N-OG 3.1Å; V314-S325 PolarHBondContact O-N 2.63Å; S325-C338 PolarHBondContact OG-SG 3.18Å
326K90.4Very high88Confident178 Ų17879.1 Ų79.177%0.77442%0.42SS*.  trans-73167164.5-64-177.8-179.6178.70110.9C328K326-C328 PolarHBondContact O-N 3.04Å; K326-C328 PolarHBondContact O-SG 2.82Å
327C90.1Very high87.2Confident42 Ų4279.5 Ų79.528%0.28443%0.432SS..  trans-66123.1174.4-71.60000112.2C303 K311C303-C327 HydrophobicContact CB-CB 3.93Å; C303-C327 WeakPolarHBondContact CB-SG 3.2Å; C303-C327 VanDerWaalsContact SG-CA 3.58Å; C303-C327 WeakPolarHBondContact SG-CB 3.1Å; C303-C327 CovalentContact SG-SG 2.02Å; C303-C327 PolarHBondContact SG-SG 2.84Å; K311-C327 HydrophobicContact CB-CB 4.45Å
328C88.1Confident86.1Confident19 Ų1982.2 Ų82.213%0.12845%0.451CS..EExtended strand (participates in β ladder)trans-128.7159-174.8-64.20000111.3K311 Y312 K326 T332 I333 C338K311-C328 CarbonylContact C-O 3.53Å; K311-C328 WeakPolarHBondContact CA-O 3.44Å; Y312-C328 PolarHBondContact N-O 2.99Å; Y312-C328 PolarHBondContact O-N 2.93Å; K326-C328 PolarHBondContact O-N 3.04Å; K326-C328 PolarHBondContact O-SG 2.82Å; C328-T332 WeakPolarHBondContact CB-OG1 3.49Å; C328-I333 HydrophobicContact CB-CD1 4.34Å; C328-I333 HydrophobicContact CB-CG1 3.93Å; C328-C338 HydrophobicContact CB-CB 3.69Å; C328-C338 WeakPolarHBondContact CB-SG 3.38Å; C328-C338 WeakPolarHBondContact SG-CB 3.34Å; C328-C338 CovalentContact SG-SG 2.02Å; C328-C338 PolarHBondContact SG-SG 3.47Å
329T87.3Confident85.9Confident48 Ų4880.9 Ų80.929%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-77.9156.6169.958.70000110.2T331 T332 I333T329-T331 PolarHBondContact O-N 2.81Å; T329-T331 VanDerWaalsContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å; T329-T332 PolarHBondContact N-OG1 3.36Å; T329-T332 VanDerWaalsContact N-OG1 3.1Å; T329-T332 PolarHBondContact O-N 2.04Å; T329-T332 VanDerWaalsContact O-N 3.09Å; T329-T332 PolarHBondContact O-OG1 3.39Å; T329-T332 PolarHBondContact OG1-N 2.98Å; T329-T332 PolarHBondContact OG1-OG1 3.01Å; T329-I333 WeakPolarHBondContact O-CG1 3.49Å; T329-I333 PolarHBondContact O-N 3.22Å; T329-I333 VanDerWaalsContact O-N 3.15Å
330W82.9Confident85.9Confident117 Ų11781.5 Ų81.544%0.44343%0.432SS..Hα-helixtrans-58.3-31.4176.6-162.7-112.4000113.3Y300 Y312 I333 K334Y300-W330 HydrophobicContact CD1-CZ3 4.09Å; Y300-W330 HydrophobicContact CD2-CH2 4.21Å; Y300-W330 HydrophobicContact CD2-CZ3 4.35Å; Y300-W330 HydrophobicContact CE2-CH2 4.43Å; Y300-W330 HydrophobicContact CG-CH2 4.28Å; Y300-W330 AromaticContact CG-CZ3 3.95Å; Y300-W330 HydrophobicContact CG-CZ3 3.95Å; Y312-W330 HydrophobicContact CD2-CE3 4.05Å; Y312-W330 HydrophobicContact CE2-CE3 4.37Å; Y312-W330 HydrophobicContact CG-CE3 4.48Å; W330-I333 HydrophobicContact CE3-CD1 4.13Å; W330-I333 HydrophobicContact CZ3-CD1 4.48Å; W330-K334 PolarHBondContact O-N 3.27Å; W330-K334 VanDerWaalsContact O-N 3.1Å
331T82.9Confident86.1Confident97 Ų9783.7 Ų83.760%0.59543%0.431SS*.Hα-helixtrans-63.4-42.7175.241.30000113T329 K334 L335T329-T331 PolarHBondContact O-N 2.81Å; T329-T331 VanDerWaalsContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-OG1 2.84Å; T331-K334 PolarHBondContact O-N 3.02Å; T331-L335 WeakPolarHBondContact O-CG 3.28Å; T331-L335 PolarHBondContact O-N 3.49Å
332T84.2Confident85.9Confident44 Ų4476.6 Ų76.627%0.2741%0.412SS..Hα-helixtrans-73.4-33.6-18043.70000111.8C328 T329 L335 N336 T337C328-T332 WeakPolarHBondContact CB-OG1 3.49Å; T329-T332 PolarHBondContact N-OG1 3.36Å; T329-T332 VanDerWaalsContact N-OG1 3.1Å; T329-T332 PolarHBondContact O-N 2.04Å; T329-T332 VanDerWaalsContact O-N 3.09Å; T329-T332 PolarHBondContact O-OG1 3.39Å; T329-T332 PolarHBondContact OG1-N 2.98Å; T329-T332 PolarHBondContact OG1-OG1 3.01Å; T332-L335 PolarHBondContact O-N 2.9Å; T332-N336 PolarHBondContact O-N 2.71Å; T332-T337 PolarHBondContact O-N 3.47Å; T332-T337 PolarHBondContact O-OG1 2.9Å; T332-T337 VanDerWaalsContact O-OG1 3.04Å
333I85.1Confident85.4Confident14 Ų1478.4 Ų78.47%0.07242%0.422CS..Hα-helixtrans-61.3-47.8172.3-65.1172.3000111Y300 V314 C328 T329 W330 L335 N336 C338Y300-I333 HydrophobicContact CD1-CD1 4.26Å; Y300-I333 HydrophobicContact CD1-CG2 4.23Å; Y300-I333 HydrophobicContact CE1-CG2 3.63Å; V314-I333 HydrophobicContact CG2-CD1 4.12Å; V314-I333 HydrophobicContact CG2-CG1 3.82Å; V314-I333 HydrophobicContact CG2-CG2 4.1Å; C328-I333 HydrophobicContact CB-CD1 4.34Å; C328-I333 HydrophobicContact CB-CG1 3.93Å; T329-I333 WeakPolarHBondContact O-CG1 3.49Å; T329-I333 PolarHBondContact O-N 3.22Å; T329-I333 VanDerWaalsContact O-N 3.15Å; W330-I333 HydrophobicContact CE3-CD1 4.13Å; W330-I333 HydrophobicContact CZ3-CD1 4.48Å; I333-L335 PolarHBondContact O-N 2.83Å; I333-N336 PolarHBondContact O-N 3.36Å; I333-N336 VanDerWaalsContact O-N 3.08Å; I333-C338 HydrophobicContact CG1-CB 4.22Å
334K83.1Confident84.8Confident158 Ų15879.5 Ų79.569%0.68742%0.421SS*.Hα-helixtrans-61.5-28.8177.9-78.4-167.1176.1-170.40113.8W330 T331 N336W330-K334 PolarHBondContact O-N 3.27Å; W330-K334 VanDerWaalsContact O-N 3.1Å; T331-K334 PolarHBondContact O-N 3.02Å; K334-N336 VanDerWaalsContact C-N 3.33Å
335L85.5Confident84.2Confident128 Ų12882.4 Ų82.467%0.6743%0.434SS*.THydrogen-bonded Turntrans-87.92.5179.2-67.9169.5000113.1T331 T332 I333 T337T331-L335 WeakPolarHBondContact O-CG 3.28Å; T331-L335 PolarHBondContact O-N 3.49Å; T332-L335 PolarHBondContact O-N 2.9Å; I333-L335 PolarHBondContact O-N 2.83Å; L335-T337 HydrophobicContact CB-CG2 4.19Å; L335-T337 PolarHBondContact O-N 3.06Å
336N78.4Confident83.6Confident121 Ų12186.4 Ų86.465%0.64745%0.451SS*.THydrogen-bonded Turntrans51.735.7-172.9-69.4-39000113.2T332 I333 K334T332-N336 PolarHBondContact O-N 2.71Å; I333-N336 PolarHBondContact O-N 3.36Å; I333-N336 VanDerWaalsContact O-N 3.08Å; K334-N336 VanDerWaalsContact C-N 3.33Å
337T77.4Confident83Confident99 Ų9978.8 Ų78.861%0.60742%0.424SS*.  trans-107.512.9178.750.70000112.5T332 L335T332-T337 PolarHBondContact O-N 3.47Å; T332-T337 PolarHBondContact O-OG1 2.9Å; T332-T337 VanDerWaalsContact O-OG1 3.04Å; L335-T337 HydrophobicContact CB-CG2 4.19Å; L335-T337 PolarHBondContact O-N 3.06Å
338C71.6Confident82.4Confident58 Ų5882.1 Ų82.139%0.39244%0.437SS..  trans-106.60167.4-168.70000107.5V314 S325 C328 I333V314-C338 HydrophobicContact CG2-CB 4.29Å; S325-C338 PolarHBondContact OG-SG 3.18Å; C328-C338 HydrophobicContact CB-CB 3.69Å; C328-C338 WeakPolarHBondContact CB-SG 3.38Å; C328-C338 WeakPolarHBondContact SG-CB 3.34Å; C328-C338 CovalentContact SG-SG 2.02Å; C328-C338 PolarHBondContact SG-SG 3.47Å; I333-C338 HydrophobicContact CG1-CB 4.22Å

Retrieved 338 of 338 residues in 54.8 ms (Link to these results)