A0A096NRB1_PAPAN Loading...

Ras-related protein Rab-36

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion.

AlphaFold DB , UniProt , Accession A0A096NRB1, Species PAPAN (Papio anubis, Olive baboon), Gene RAB36, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M29.7Very low28.7Very low241 Ų241132.5 Ų132.5100%1.18781%0.811SS**  0116.60-175.3168153.200105.9
2V30Very low28.9Very low116 Ų116141.1 Ų141.170%0.70382%0.817SS**  cis-164.5121.17.4133.80000103.5
3I28.6Very low28.8Very low148 Ų148137.7 Ų137.776%0.75982%0.816SS**  87.3113.8110.8-59.1-177.5000116.5
4A30.2Very low28.9Very low98 Ų98135.3 Ų135.381%0.8182%0.819SS**  52.2143.5128.700000124.6
5G28.4Very low29.1Very low85 Ų85135.4 Ų135.488%0.87682%0.82SS**  trans-165.788.9152.200000110.1
6A29.8Very low29.2Very low94 Ų94133.8 Ų133.878%0.77782%0.816SS**  trans-97.9155178.800000111.6
7S28.1Very low30.1Very low103 Ų103132.5 Ų132.572%0.7281%0.812SS**  trans166.8130.7162.9-920000111.2
8W28.3Very low30.1Very low204 Ų204132.8 Ų132.877%0.77381%0.813SS**  cis-156.2144-3.8-95.488.5000109.5
9M27.5Very low30.1Very low135 Ų135134.7 Ų134.767%0.66581%0.812SS**  trans42.8121.7139.4-66.3-157.6-177.200122.2
10L29Very low30.3Very low150 Ų150134.2 Ų134.279%0.78581%0.809SS**  86.8119.659.3-85.6160.9000114.5
11G25.9Very low30.6Very low84 Ų84133.3 Ų133.387%0.86681%0.807SS**  trans-166.295.615900000110.4
12R31Very low30.9Very low235 Ų235127.8 Ų127.889%0.88779%0.789SS**  trans-96.1149.6177.1-79.5179.7168.4-145-0.9111.1
13A27.9Very low31Very low97 Ų97127.8 Ų127.880%0.80279%0.789SS**  trans-160.8111.3139.800000107.1
14A31Very low31.3Very low104 Ų104127.1 Ų127.186%0.8679%0.792SS**  86.2127.373.100000114.4
15V32.1Very low31.6Very low137 Ų137126.7 Ų126.783%0.8378%0.783SS**  trans-65.2145.1-169.5-178.50000113.5
16S30Very low32Very low109 Ų109126.6 Ų126.676%0.76278%0.775SS**  169.8165.298.950.30000112.2
17P45.2Very low32.2Very low113 Ų113128.5 Ų128.573%0.73477%0.77SS**  trans-99.9153.5-14738.2-33.2000114.1
18T29.2Very low32.3Very low137 Ų137134.2 Ų134.284%0.8478%0.776SS**  trans-175.4151.5149.316.80000110.5
19Q30.2Very low32.7Very low170 Ų170130.8 Ų130.879%0.79478%0.777SS**  trans11789.8158.1-55.3-168.811.800117.4
20T34.2Very low33Very low123 Ų123128.8 Ų128.876%0.75578%0.782SS**  trans74.8121.2131.957.30000120.5
21P36.2Very low33Very low116 Ų116132.4 Ų132.475%0.75379%0.785SS**PPolyproline II helixtrans-75.6149.1168.832.7-31.8000110.7
22P36Very low33.3Very low126 Ų126139.9 Ų139.982%0.81879%0.787SS**PPolyproline II helixtrans-67.7142.2174.726.5-31.3000111.5
23T32.4Very low33.7Very low115 Ų115134.1 Ų134.171%0.70678%0.783SS**PPolyproline II helixtrans-63.2145.2-171.331.80000114.6S25T23-S25 PolarHBondContact O-N 3.49Å
24T35Very low34.2Very low134 Ų134141.6 Ų141.682%0.82279%0.791SS**THydrogen-bonded Turntrans-71.540.6-177.8-36.60000114.2
25S36.6Very low34.3Very low89 Ų89141.6 Ų141.662%0.62279%0.791SS**THydrogen-bonded Turntrans-115.6-15173.369.90000114.1T23T23-S25 PolarHBondContact O-N 3.49Å
26A35.8Very low34.2Very low84 Ų84139.3 Ų139.369%0.69479%0.786SS**THydrogen-bonded Turntrans-87-8.117800000114.7
27I34.8Very low34.2Very low133 Ų133142.2 Ų142.268%0.68279%0.792SS**THydrogen-bonded Turntrans-93.5-4-178.1-66.9173.8000112.6
28R30.6Very low33.5Very low223 Ų223144 Ų14484%0.84280%0.801SS**SBendtrans-101.2-5.4-176.7-102.3178.7173.6176.2-1.7116.6
29V35.6Very low33.4Very low132 Ų132142.1 Ų142.180%0.880%0.799SS**SBendtrans-99.4-16.5176-177.20000112.7R31V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.07Å
30A33.5Very low33.2Very low93 Ų93142.9 Ų142.977%0.76981%0.805SS**THydrogen-bonded Turntrans-91.522.317800000114.5
31R30.1Very low32.9Very low226 Ų226143.8 Ų143.885%0.85381%0.81SS**THydrogen-bonded Turntrans-125.221.7-176.2-120.1-178.7177.3-170.4-1114.7V29V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.07Å
32R32.2Very low32.4Very low241 Ų241145.3 Ų145.391%0.90981%0.81SS**SBendtrans-118.13.7178-94.7-171.6172.8-170.7-1.9117.2
33S39.1Very low31.9Very low114 Ų114145.7 Ų145.780%0.79781%0.81SS**SBendtrans-138.974.9176.4-62.20000111.4
34R38.4Very low31.7Very low254 Ų254145 Ų14596%0.95882%0.817SS**SBendtrans-179.187.6159-103.1168.6-169.3-151.33.3108.7
35A32.6Very low31.3Very low104 Ų104143.3 Ų143.386%0.8682%0.816SS**SBendtrans163.875.9153.200000109.6
36A29.5Very low30.9Very low90 Ų90146.2 Ų146.274%0.74483%0.825SS**SBendtrans177.790.3154.800000108.7
37L30.5Very low30.7Very low169 Ų169148.3 Ų148.389%0.88583%0.834SS**SBendtrans172.358.3134.6-115.684.4000110.6
38V31.2Very low30.3Very low150 Ų150145.5 Ų145.591%0.90984%0.838SS**SBendtrans-139.686.7154-176.40000105.8
39A26.8Very low30.2Very low98 Ų98138.5 Ų138.581%0.8184%0.835SS**  trans148.185.5161.100000110.7
40M26.2Very low29.9Very low187 Ų187140.2 Ų140.292%0.92184%0.839SS**  trans-166.878.1148.2-131.1-179.7-17800110.9
41V28Very low29.7Very low142 Ų142139.6 Ų139.686%0.86184%0.842SS**  trans-140.298.7153.6-177.30000106.2
42I25.9Very low29.7Very low148 Ų148140.6 Ų140.676%0.75985%0.845SS**SBendtrans178.9134143.7-86.3153.6000106.7
43T26Very low29.6Very low133 Ų133132.8 Ų132.882%0.81684%0.84SS**  trans66.2104.9168.649.10000119.8
44A27.1Very low29.2Very low102 Ų102136.6 Ų136.684%0.84385%0.845SS**  -162.9102.3114.100000109.8
45A27.8Very low28.9Very low97 Ų97130 Ų13080%0.80284%0.835SS**  trans-71.3161.4148.500000108.5
46D26.7Very low28.7Very low151 Ų151134.7 Ų134.781%0.80784%0.839SS**  trans85.493.6162-144.817.5000117.5
47S32.5Very low28.7Very low128 Ų128138.4 Ų138.490%0.89585%0.846SS**  trans-155.691.9137.6-25.90000108.8
48G26.6Very low28.7Very low74 Ų74136.2 Ų136.276%0.76385%0.845SS**  trans-69.5132.1165.700000111.2
49G28.2Very low28.6Very low75 Ų75137.6 Ų137.677%0.77384%0.841SS**  trans-135.2119.1172.500000109.8
50L28.9Very low28.9Very low169 Ų169138.3 Ų138.389%0.88584%0.838SS**  trans-58.8145.2-172.4-78.576.2000114.6
51G30.1Very low29.1Very low80 Ų80141.4 Ų141.483%0.82584%0.839SS**  trans-161.698.5159.800000110.8
52R29.8Very low29.4Very low247 Ų247141.5 Ų141.593%0.93284%0.84SS**  trans-71.5139.9-179.1-70.8177.6172.2-161.5-2.2111.9
53G29.7Very low29.5Very low77 Ų77141.1 Ų141.179%0.79484%0.839SS**  trans-155.3117.5161.100000108.9
54E31.5Very low29.8Very low194 Ų194140.4 Ų140.491%0.90784%0.84SS**  trans-70.7164.4-173.9-90.3-176.1131.600114.7
55P30.8Very low30.3Very low116 Ų116138.6 Ų138.675%0.75383%0.831SS**  trans-97.8156.1-161.237.6-31.4000113.4
56Q30Very low30.7Very low202 Ų202144.3 Ų144.394%0.94483%0.832SS**  trans-118.4136.3157.3-83.2-164-8.100111.3
57L28.2Very low31Very low168 Ų168146.7 Ų146.788%0.8884%0.841SS**  trans-91.4128.4-169.2-163.284.5000110.1
58S30.1Very low31.5Very low123 Ų123150.5 Ų150.586%0.8684%0.835SS**  trans-147.9131.3155.861.20000110.9
59Q30.5Very low32Very low178 Ų178151.2 Ų151.283%0.83283%0.829SS**  trans-74.5173.3-165-94.2-172.41.200115.9
60P31.8Very low32.5Very low114 Ų114152.8 Ų152.874%0.7483%0.828SS**  trans-92.3157.9-14437.4-34.6000113.7
61R30.1Very low33.3Very low252 Ų252151.3 Ų151.395%0.95182%0.82SS**  trans-130.4140.6158.9-77.5-169.2176.1-174.9-0.3111.1
62V34.3Very low34.2Very low144 Ų144152.9 Ų152.987%0.87381%0.814SS**  trans-62.5138.1-162.9177.20000112.5
63D28.4Very low35.2Very low139 Ų139146.2 Ų146.274%0.74380%0.802SS**  trans-63.4139.4176.6-166.4-0000111.9G65D63-G65 PolarHBondContact OD1-N 3.37Å
64S32.8Very low36.1Very low119 Ų119151 Ų15183%0.83281%0.809SS**  trans-145.669.1161.3-71.50000108.1
65G37.4Very low37.3Very low64 Ų64143.8 Ų143.866%0.6679%0.787SS**  62.373123.400000116D63D63-G65 PolarHBondContact OD1-N 3.37Å
66R37.2Very low38.7Very low216 Ų216142.6 Ų142.682%0.81578%0.779SS**  trans-154.794.5142.3-141.7173.1-172.1-1762.1109.5R68R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 3.21Å
67M33.1Very low40.7Very low202 Ų202139.1 Ų139.1100%0.99577%0.773SS**  trans-58.593.6163.8-84.1-177.2147.900108.4S69M67-S69 PolarHBondContact O-N 2.98Å
68R42.3Very low43.5Very low207 Ų207133 Ų13378%0.78174%0.743SS**  trans-75.8113.8157.7-73.7-176.5177.1-133.41.8105.1R66 S70R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 3.21Å; R68-S70 VanDerWaalsContact C-N 3.3Å; R68-S70 PolarHBondContact O-N 3.21Å
69S37.6Very low46.3Very low90 Ų90130.5 Ų130.563%0.62973%0.726SS**  trans-60.899.4166.655.30000107.9M67 L71M67-S69 PolarHBondContact O-N 2.98Å; S69-L71 PolarHBondContact O-N 3.2Å
70S37.2Very low49Very low107 Ų107133.2 Ų133.275%0.74873%0.728SS**  trans-77.570.9176.255.50000108.8R68 T72R68-S70 VanDerWaalsContact C-N 3.3Å; R68-S70 PolarHBondContact O-N 3.21Å; S70-T72 VanDerWaalsContact C-N 3.3Å; S70-T72 PolarHBondContact O-N 3.22Å; S70-T72 VanDerWaalsContact O-N 3.12Å
71L46.8Very low51.7Low138 Ų138130.4 Ų130.472%0.72371%0.707SS**  trans-70.399.2154.3-71.6169.3000105.7S69S69-L71 PolarHBondContact O-N 3.2Å
72T48.4Very low54.8Low113 Ų113119 Ų11969%0.69366%0.664SS**  trans-52.6130.5164.536.30000108.2S70 L74S70-T72 VanDerWaalsContact C-N 3.3Å; S70-T72 PolarHBondContact O-N 3.22Å; S70-T72 VanDerWaalsContact O-N 3.12Å; T72-L74 PolarHBondContact O-N 3.02Å
73P50.4Low57.7Low107 Ų107115.3 Ų115.370%0.69564%0.641SS**  trans-54.7120.3174.8-20.730.8000108.8G75P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 2.79Å
74L49.8Very low60.9Low179 Ų179109.1 Ų109.194%0.93761%0.609SS**SBendtrans-71.288.9174-87.1154.4000107.9T72T72-L74 PolarHBondContact O-N 3.02Å
75G56.2Low63.7Low42 Ų42107.3 Ų107.343%0.43360%0.6SS.*SBendtrans146.6159.717300000113.3P73P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 2.79Å
76P59.5Low66.3Low91 Ų91109.5 Ų109.559%0.59160%0.601SS**SBendtrans-56.814516924.2-31.5000109.8V78P76-V78 PolarHBondContact O-N 3Å
77P73.8Confident68.9Low128 Ų12899.9 Ų99.983%0.83157%0.565SS**PPolyproline II helixtrans-56.3131.5-17921.5-31.1000110.3
78V86.3Confident71.8Confident39 Ų3991.2 Ų91.224%0.23652%0.524CS..PPolyproline II helixtrans-65.1148.7174.7-66.20000109.9P76 R82 V83 R164 E166P76-V78 PolarHBondContact O-N 3Å; V78-R82 HydrophobicContact CB-CB 4.32Å; V78-V83 HydrophobicContact CG2-CG2 3.86Å; V78-R164 HydrophobicContact CG1-CB 3.9Å; V78-E166 HydrophobicContact CG2-CB 3.74Å
79S87.7Confident74.2Confident72 Ų7287.4 Ų87.450%0.50351%0.513SS..PPolyproline II helixtrans-59.5148.5174.7-179.10000110.6D81 R82S79-D81 WeakPolarHBondContact CB-OD1 3.44Å; S79-D81 PolarHBondContact O-N 3.16Å; S79-D81 VanDerWaalsContact O-N 3.14Å; S79-D81 PolarHBondContact OG-OD1 3.16Å; S79-R82 WeakPolarHBondContact O-CA 3.42Å; S79-R82 WeakPolarHBondContact O-CB 3.36Å; S79-R82 PolarHBondContact O-N 2.63Å
80R88.1Confident76.9Confident234 Ų23485 Ų8588%0.88349%0.49SS*.G310 helixtrans-57.1-32.4-177.9-70.9-175176.3-175.3-0.7112.8R82 V83R80-R82 PolarHBondContact O-N 3.08Å; R80-V83 PolarHBondContact O-N 2.91Å
81D88.8Confident79.6Confident55 Ų5582.2 Ų82.229%0.29446%0.464SS..G310 helixtrans-8010.7176.869.9-32.6000114S79 K277S79-D81 WeakPolarHBondContact CB-OD1 3.44Å; S79-D81 PolarHBondContact O-N 3.16Å; S79-D81 VanDerWaalsContact O-N 3.14Å; S79-D81 PolarHBondContact OG-OD1 3.16Å; D81-K277 HydrophobicContact CB-CD 4.48Å; D81-K277 WeakPolarHBondContact OD2-CE 3.43Å; D81-K277 IonicContact OD2-NZ 3.87Å; D81-K277 PolarHBondContact OD2-NZ 2.87Å
82R94.8Very high81.7Confident14 Ų1477.6 Ų77.65%0.05344%0.441CS..G310 helixtrans-118.95.5170.4-58.7-60.7-176.3-86.9-12.2113V78 S79 R80 F143 E163 R164 F165 E166V78-R82 HydrophobicContact CB-CB 4.32Å; S79-R82 WeakPolarHBondContact O-CA 3.42Å; S79-R82 WeakPolarHBondContact O-CB 3.36Å; S79-R82 PolarHBondContact O-N 2.63Å; R80-R82 PolarHBondContact O-N 3.08Å; R82-F143 PolarHBondContact NH2-O 2.92Å; R82-E163 IonicContact CZ-OE1 2.73Å; R82-E163 VanDerWaalsContact CZ-OE1 3.29Å; R82-E163 IonicContact NE-OE1 3.62Å; R82-E163 PolarHBondContact NE-OE1 3.35Å; R82-E163 IonicContact NH2-OE1 3.82Å; R82-E163 PolarHBondContact NH2-OE1 3.39Å; R82-R164 WeakPolarHBondContact CB-O 3.22Å; R82-F165 HydrophobicContact CB-CD1 4.14Å; R82-F165 WeakPolarHBondContact O-CA 2.94Å; R82-E166 PolarHBondContact O-N 3.07Å
83V95.9Very high83.6Confident65 Ų6575.3 Ų75.339%0.39443%0.429SS..EExtended strand (participates in β ladder)trans-92.3113.8172.9-176.50000108.5V78 R80 E166V78-V83 HydrophobicContact CG2-CG2 3.86Å; R80-V83 PolarHBondContact O-N 2.91Å; V83-E166 CarbonylContact C-O 3.52Å; V83-E166 WeakPolarHBondContact CA-O 3.38Å; V83-E166 HydrophobicContact CG2-CB 4.41Å
84I95.6Very high85.4Confident10 Ų1075.5 Ų75.55%0.05142%0.42CS..EExtended strand (participates in β ladder)trans-109.394-179.6-56.2178.6000108.2T86 P88 F103 F165 E166 I167 A168 S281 A284I84-T86 VanDerWaalsContact CG2-O 3.24Å; I84-T86 WeakPolarHBondContact CG2-O 3.32Å; I84-P88 HydrophobicContact CD1-CG 4.47Å; I84-P88 HydrophobicContact CG2-CG 3.82Å; I84-F103 HydrophobicContact CG2-CZ 4.29Å; I84-F165 HydrophobicContact CD1-CD1 3.99Å; I84-F165 HydrophobicContact CD1-CE1 4.35Å; I84-E166 PolarHBondContact N-O 3.24Å; I84-I167 HydrophobicContact CB-CB 4.47Å; I84-I167 HydrophobicContact CB-CG1 4.17Å; I84-I167 HydrophobicContact CB-CG2 4.19Å; I84-I167 HydrophobicContact CD1-CD1 4.13Å; I84-I167 HydrophobicContact CD1-CG1 4.14Å; I84-I167 HydrophobicContact CG1-CG1 4.42Å; I84-I167 HydrophobicContact CG2-CG2 4.3Å; I84-I167 WeakPolarHBondContact O-CA 3.36Å; I84-A168 PolarHBondContact O-N 2.84Å; I84-S281 WeakPolarHBondContact CD1-O 3.42Å; I84-A284 HydrophobicContact CD1-CB 4.15Å
85A90.4Very high87Confident80 Ų8067.2 Ų67.266%0.66138%0.377SS*.  trans-85-33.117700000112.6
86T91.9Very high88.4Confident111 Ų11166 Ų6668%0.68136%0.363SS*.SBendtrans-117.3148.3-179.754.50000110.1I84 P88I84-T86 VanDerWaalsContact CG2-O 3.24Å; I84-T86 WeakPolarHBondContact CG2-O 3.32Å; T86-P88 WeakPolarHBondContact O-CD 3.02Å
87F93.1Very high89.5Confident13 Ų1365.7 Ų65.76%0.05736%0.355CS..PPolyproline II helixtrans-62.1123.5180-163.7-109.4000110.5R100 F103 A285 L286F87-R100 WeakPolarHBondContact CD1-O 3.19Å; F87-R100 HydrophobicContact CE1-CB 4.42Å; F87-R100 WeakPolarHBondContact CE1-O 3.34Å; F87-F103 HydrophobicContact CB-CD2 4.18Å; F87-F103 HydrophobicContact CB-CE2 4.21Å; F87-F103 AromaticContact CD2-CD1 3.52Å; F87-F103 HydrophobicContact CD2-CD1 3.52Å; F87-F103 HydrophobicContact CD2-CD2 4.21Å; F87-F103 AromaticContact CD2-CE1 3.53Å; F87-F103 HydrophobicContact CD2-CE1 3.53Å; F87-F103 HydrophobicContact CD2-CE2 4.21Å; F87-F103 AromaticContact CD2-CG 3.87Å; F87-F103 HydrophobicContact CD2-CG 3.87Å; F87-F103 AromaticContact CD2-CZ 3.87Å; F87-F103 HydrophobicContact CD2-CZ 3.87Å; F87-F103 AromaticContact CE2-CD1 3.96Å; F87-F103 HydrophobicContact CE2-CD1 3.96Å; F87-F103 HydrophobicContact CE2-CE1 4.01Å; F87-A285 HydrophobicContact CD2-CB 4.19Å; F87-A285 HydrophobicContact CE2-CB 4.07Å; F87-L286 HydrophobicContact CZ-CD2 3.81Å; F87-L286 HydrophobicContact CZ-CG 4.31Å
88P94Very high89.7Confident21 Ų2164.4 Ų64.414%0.13634%0.338CS..PPolyproline II helixtrans-65.6139-178.9-23.235.5000111.9I84 T86 R282 A285I84-P88 HydrophobicContact CD1-CG 4.47Å; I84-P88 HydrophobicContact CG2-CG 3.82Å; T86-P88 WeakPolarHBondContact O-CD 3.02Å; P88-R282 HydrophobicContact CB-CB 4.2Å; P88-R282 WeakPolarHBondContact O-CD 3.24Å; P88-R282 PolarHBondContact O-NH1 2.91Å; P88-A285 HydrophobicContact CG-CB 3.86Å
89K92.9Very high89.5Confident127 Ų12767.6 Ų67.655%0.55235%0.353SS*.PPolyproline II helixtrans-72.9155.8175.4-63-163.3176.9-144.70111E101K89-E101 IonicContact NZ-OE1 2.79Å; K89-E101 PolarHBondContact NZ-OE1 3.27Å
90W93Very high89.3Confident38 Ų3867.9 Ų67.914%0.14434%0.343CS..PPolyproline II helixtrans-68.5168.5168.353.678.7000111.4C96 L99 R100 E101W90-C96 HydrophobicContact CB-CB 3.58Å; W90-C96 HydrophobicContact CD2-CB 4.43Å; W90-C96 HydrophobicContact CG-CB 3.81Å; W90-L99 HydrophobicContact CD2-CD2 4.07Å; W90-L99 HydrophobicContact CE3-CD2 4.46Å; W90-L99 HydrophobicContact CH2-CB 3.94Å; W90-L99 HydrophobicContact CH2-CD2 4.02Å; W90-L99 HydrophobicContact CZ2-CB 4.33Å; W90-L99 HydrophobicContact CZ2-CD2 3.57Å; W90-L99 VanDerWaalsContact CZ3-CA 3.48Å; W90-L99 HydrophobicContact CZ3-CB 4.23Å; W90-L99 HydrophobicContact CZ3-CD2 4.45Å; W90-R100 WeakPolarHBondContact CZ3-O 3.47Å; W90-E101 HydrophobicContact CH2-CG 3.81Å; W90-E101 HydrophobicContact CZ3-CG 3.99Å
91Y93.9Very high89.2Confident49 Ų4960.9 Ų60.919%0.19232%0.321CS..SBendtrans-65.8-61.8178178.6-127.7000112.2A95 K239 E251 Y265 W266 N275Y91-A95 HydrophobicContact CD1-CB 4.48Å; Y91-K239 PolarHBondContact OH-NZ 3.06Å; Y91-E251 WeakPolarHBondContact CE1-OE2 3.49Å; Y91-E251 PolarHBondContact OH-OE1 2.98Å; Y91-E251 PolarHBondContact OH-OE2 3.33Å; Y91-Y265 WeakPolarHBondContact CB-O 3.45Å; Y91-Y265 HydrophobicContact CD1-CD1 4.06Å; Y91-Y265 HydrophobicContact CD1-CE1 4.13Å; Y91-Y265 HydrophobicContact CE1-CD1 4.31Å; Y91-Y265 AromaticContact CE1-CE1 3.92Å; Y91-Y265 HydrophobicContact CE1-CE1 3.92Å; Y91-W266 HydrophobicContact CD2-CE3 4.32Å; Y91-W266 HydrophobicContact CG-CD2 4.47Å; Y91-W266 HydrophobicContact CG-CE3 4.37Å; Y91-N275 WeakPolarHBondContact CE2-ND2 3.49Å
92T91.1Very high89.4Confident41 Ų4165 Ų6525%0.25234%0.338SS..  trans-135.8152.5170.166.10000110.1E94 A95T92-E94 WeakPolarHBondContact CB-OE2 3.34Å; T92-E94 PolarHBondContact O-N 3.28Å; T92-A95 WeakPolarHBondContact O-CB 3.3Å; T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 WeakPolarHBondContact OG1-CB 3.19Å; T92-A95 PolarHBondContact OG1-N 2.94Å
93P88.4Confident89.3Confident66 Ų6665.4 Ų65.443%0.42934%0.34SS..G310 helixtrans-55.6-35.3-179.3-25.534.3000113.3A95 L99P93-A95 VanDerWaalsContact C-N 3.27Å; P93-A95 PolarHBondContact O-N 3.47Å; P93-L99 HydrophobicContact CB-CD2 3.9Å
94E87.8Confident89.2Confident111 Ų11165.3 Ų65.352%0.51934%0.335SS..G310 helixtrans-74.3-21.3-179-55.570.6-149.900112.5T92 V255 K259T92-E94 WeakPolarHBondContact CB-OE2 3.34Å; T92-E94 PolarHBondContact O-N 3.28Å; E94-V255 HydrophobicContact CB-CG1 4.28Å; E94-V255 VanDerWaalsContact O-CG1 3.3Å; E94-V255 WeakPolarHBondContact O-CG1 3.4Å; E94-K259 WeakPolarHBondContact O-CE 3.42Å
95A83.1Confident89.2Confident4 Ų475.2 Ų75.23%0.03337%0.372CS..G310 helixtrans-90.7-1-179.100000113.6Y91 T92 P93 V255 E264 Y265Y91-A95 HydrophobicContact CD1-CB 4.48Å; T92-A95 WeakPolarHBondContact O-CB 3.3Å; T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 WeakPolarHBondContact OG1-CB 3.19Å; T92-A95 PolarHBondContact OG1-N 2.94Å; P93-A95 VanDerWaalsContact C-N 3.27Å; P93-A95 PolarHBondContact O-N 3.47Å; A95-V255 HydrophobicContact CB-CG2 4.04Å; A95-E264 CarbonylContact O-C 3.6Å; A95-E264 WeakPolarHBondContact O-CA 3.48Å; A95-E264 WeakPolarHBondContact O-CG 3.37Å; A95-Y265 HydrophobicContact CB-CD1 4.01Å; A95-Y265 HydrophobicContact CB-CG 4.47Å; A95-Y265 PolarHBondContact O-N 3.09Å
96C86.3Confident89.3Confident18 Ų1876.8 Ų76.812%0.12237%0.366CS..  trans-114.9145.4-174.4-167.50000112.8W90 Q98 E264 R282W90-C96 HydrophobicContact CB-CB 3.58Å; W90-C96 HydrophobicContact CD2-CB 4.43Å; W90-C96 HydrophobicContact CG-CB 3.81Å; C96-Q98 PolarHBondContact SG-N 2.96Å; C96-Q98 VanDerWaalsContact SG-N 3.36Å; C96-Q98 PolarHBondContact SG-O 2.74Å; C96-E264 HydrophobicContact CB-CG 4.46Å; C96-E264 PolarHBondContact SG-OE2 2.96Å; C96-R282 PolarHBondContact SG-NH2 3.38Å
97L83.2Confident89.4Confident83 Ų8371.5 Ų71.544%0.43533%0.333SS..SBendtrans-80.7-23.7173.5-56.7172.8000112.5Q262L97-Q262 VanDerWaalsContact CD1-O 3.24Å; L97-Q262 WeakPolarHBondContact CD1-O 3.49Å
98Q76.9Confident89.4Confident101 Ų10172.8 Ų72.847%0.47234%0.344SS..  trans-143.9113.5-173.8-62.5-175.510.300111.8C96 R100C96-Q98 PolarHBondContact SG-N 2.96Å; C96-Q98 VanDerWaalsContact SG-N 3.36Å; C96-Q98 PolarHBondContact SG-O 2.74Å; Q98-R100 HydrophobicContact CB-CG 4.41Å; Q98-R100 PolarHBondContact O-N 3.36Å
99L82.4Confident89.4Confident107 Ų10773.3 Ų73.356%0.5635%0.35SS*.  trans-7944.6179.5-61173.5000113.2W90 P93W90-L99 HydrophobicContact CD2-CD2 4.07Å; W90-L99 HydrophobicContact CE3-CD2 4.46Å; W90-L99 HydrophobicContact CH2-CB 3.94Å; W90-L99 HydrophobicContact CH2-CD2 4.02Å; W90-L99 HydrophobicContact CZ2-CB 4.33Å; W90-L99 HydrophobicContact CZ2-CD2 3.57Å; W90-L99 VanDerWaalsContact CZ3-CA 3.48Å; W90-L99 HydrophobicContact CZ3-CB 4.23Å; W90-L99 HydrophobicContact CZ3-CD2 4.45Å; P93-L99 HydrophobicContact CB-CD2 3.9Å
100R83.6Confident89.3Confident77 Ų7767.6 Ų67.629%0.29133%0.327SS..  trans-87.4127.7-178.9-67.2-175.563.8-152.6-17.2111.5F87 W90 Q98 H102 H104 E289F87-R100 WeakPolarHBondContact CD1-O 3.19Å; F87-R100 HydrophobicContact CE1-CB 4.42Å; F87-R100 WeakPolarHBondContact CE1-O 3.34Å; W90-R100 WeakPolarHBondContact CZ3-O 3.47Å; Q98-R100 HydrophobicContact CB-CG 4.41Å; Q98-R100 PolarHBondContact O-N 3.36Å; R100-H102 PolarHBondContact NH2-O 3.37Å; R100-H104 VanDerWaalsContact NH2-CA 3.27Å; R100-H104 VanDerWaalsContact NH2-N 3.12Å; R100-E289 IonicContact CZ-OE2 3.88Å; R100-E289 VanDerWaalsContact CZ-OE2 3.31Å; R100-E289 IonicContact NH1-OE2 2.77Å; R100-E289 PolarHBondContact NH1-OE2 3.46Å; R100-E289 IonicContact NH2-OE1 3.8Å; R100-E289 IonicContact NH2-OE2 3.41Å; R100-E289 PolarHBondContact NH2-OE2 3.43Å; R100-E289 VanDerWaalsContact NH2-OE2 3.09Å
101E87Confident89.3Confident88 Ų8866.2 Ų66.241%0.41132%0.323SS..  trans-101.6-4.1179.9-60.7-158131.200113.9K89 W90K89-E101 IonicContact NZ-OE1 2.79Å; K89-E101 PolarHBondContact NZ-OE1 3.27Å; W90-E101 HydrophobicContact CH2-CG 3.81Å; W90-E101 HydrophobicContact CZ3-CG 3.99Å
102H91.9Very high89.2Confident142 Ų14271.7 Ų71.766%0.65735%0.35SS*.SBendtrans-139.5148-175.1-55.1-43.4000112R100R100-H102 PolarHBondContact NH2-O 3.37Å
103F93.4Very high89.2Confident22 Ų2279.3 Ų79.310%0.09637%0.374CS..  trans-56.2149.2168.9-71.1-75.6000110.7I84 F87 V107 I167 A285 F288 E289I84-F103 HydrophobicContact CG2-CZ 4.29Å; F87-F103 HydrophobicContact CB-CD2 4.18Å; F87-F103 HydrophobicContact CB-CE2 4.21Å; F87-F103 AromaticContact CD2-CD1 3.52Å; F87-F103 HydrophobicContact CD2-CD1 3.52Å; F87-F103 HydrophobicContact CD2-CD2 4.21Å; F87-F103 AromaticContact CD2-CE1 3.53Å; F87-F103 HydrophobicContact CD2-CE1 3.53Å; F87-F103 HydrophobicContact CD2-CE2 4.21Å; F87-F103 AromaticContact CD2-CG 3.87Å; F87-F103 HydrophobicContact CD2-CG 3.87Å; F87-F103 AromaticContact CD2-CZ 3.87Å; F87-F103 HydrophobicContact CD2-CZ 3.87Å; F87-F103 AromaticContact CE2-CD1 3.96Å; F87-F103 HydrophobicContact CE2-CD1 3.96Å; F87-F103 HydrophobicContact CE2-CE1 4.01Å; F103-V107 HydrophobicContact CD1-CG1 4.47Å; F103-I167 HydrophobicContact CE1-CG2 3.94Å; F103-I167 HydrophobicContact CZ-CG2 3.57Å; F103-A285 HydrophobicContact CE1-CB 4.16Å; F103-A285 HydrophobicContact CZ-CB 4.3Å; F103-F288 HydrophobicContact CE1-CD1 4.14Å; F103-E289 VanDerWaalsContact CA-OE1 3.24Å; F103-E289 WeakPolarHBondContact CA-OE1 3.3Å
104H94Very high89.1Confident63 Ų6384.1 Ų84.129%0.29238%0.384SS..  trans-55.8142177.2-167.9-100.5000109.9R100 Q106 V107 S108 E289R100-H104 VanDerWaalsContact NH2-CA 3.27Å; R100-H104 VanDerWaalsContact NH2-N 3.12Å; H104-Q106 PolarHBondContact CE1-OE1 2.87Å; H104-Q106 PolarHBondContact ND1-N 2.59Å; H104-Q106 PolarHBondContact ND1-OE1 3.39Å; H104-Q106 PolarHBondContact O-N 3.1Å; H104-V107 HydrophobicContact CB-CB 4.27Å; H104-V107 HydrophobicContact CB-CG2 4.02Å; H104-V107 WeakPolarHBondContact O-CB 3.44Å; H104-V107 PolarHBondContact O-N 3.22Å; H104-S108 PolarHBondContact O-N 3.3Å; H104-S108 PolarHBondContact O-OG 3.06Å; H104-E289 HydrophobicContact CB-CG 4.36Å; H104-E289 PolarHBondContact N-OE1 2.84Å
105R94.1Very high89.1Confident217 Ų21782.5 Ų82.582%0.81938%0.379SS*.Hα-helixtrans-56.8-40.9-174.3-176.5-179.8177.3-174.50.2112A109R105-A109 WeakPolarHBondContact O-CB 3.42Å; R105-A109 PolarHBondContact O-N 2.86Å
106Q93.6Very high89.1Confident114 Ų11482.8 Ų82.853%0.53338%0.38SS..Hα-helixtrans-66.4-40.1177.5-67.5173.4-48.800112H104 A109 A110 L293 L296H104-Q106 PolarHBondContact CE1-OE1 2.87Å; H104-Q106 PolarHBondContact ND1-N 2.59Å; H104-Q106 PolarHBondContact ND1-OE1 3.39Å; H104-Q106 PolarHBondContact O-N 3.1Å; Q106-A109 PolarHBondContact O-N 3.09Å; Q106-A110 VanDerWaalsContact O-CB 3.3Å; Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 2.7Å; Q106-L293 HydrophobicContact CB-CD2 4.35Å; Q106-L296 HydrophobicContact CB-CD1 4.26Å
107V93.4Very high89Confident0 Ų083.9 Ų83.90%039%0.394CS..Hα-helixtrans-64.8-46.7177.2174.90000110.4F103 H104 A109 A110 C111 F288 E289 V292 L293F103-V107 HydrophobicContact CD1-CG1 4.47Å; H104-V107 HydrophobicContact CB-CB 4.27Å; H104-V107 HydrophobicContact CB-CG2 4.02Å; H104-V107 WeakPolarHBondContact O-CB 3.44Å; H104-V107 PolarHBondContact O-N 3.22Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.83Å; V107-A110 PolarHBondContact O-N 3.07Å; V107-C111 PolarHBondContact O-N 3.14Å; V107-C111 PolarHBondContact O-SG 3.19Å; V107-F288 HydrophobicContact CG1-CE1 3.97Å; V107-E289 HydrophobicContact CG2-CG 4.1Å; V107-V292 HydrophobicContact CB-CG1 4.27Å; V107-V292 HydrophobicContact CG1-CB 4.14Å; V107-V292 HydrophobicContact CG1-CG1 4.11Å; V107-V292 HydrophobicContact CG1-CG2 4.25Å; V107-V292 HydrophobicContact CG2-CB 3.94Å; V107-V292 HydrophobicContact CG2-CG1 3.87Å; V107-L293 HydrophobicContact CG2-CD2 3.75Å; V107-L293 HydrophobicContact CG2-CG 3.76Å
108S93.3Very high89Confident40 Ų4084 Ų8428%0.2840%0.398SS..Hα-helixtrans-57.3-47.1175.8-61.70000111.6H104 A110 C111 Q112H104-S108 PolarHBondContact O-N 3.3Å; H104-S108 PolarHBondContact O-OG 3.06Å; S108-A110 PolarHBondContact O-N 2.82Å; S108-C111 PolarHBondContact O-N 2.81Å; S108-Q112 WeakPolarHBondContact O-CB 3.43Å; S108-Q112 VanDerWaalsContact O-CG 3.27Å; S108-Q112 WeakPolarHBondContact O-CG 3.31Å; S108-Q112 PolarHBondContact O-N 3.19Å
109A93.5Very high89.4Confident32 Ų3279.2 Ų79.226%0.26438%0.376SS..Hα-helixtrans-64.2-39.7177.400000112.6R105 Q106 V107 R113R105-A109 WeakPolarHBondContact O-CB 3.42Å; R105-A109 PolarHBondContact O-N 2.86Å; Q106-A109 PolarHBondContact O-N 3.09Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.83Å; A109-R113 WeakPolarHBondContact O-CB 3.47Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.31Å; A109-R113 PolarHBondContact O-N 3.05Å; A109-R113 VanDerWaalsContact O-N 3.12Å
110A92.4Very high89.4Confident7 Ų775.5 Ų75.56%0.05836%0.364CS..Hα-helixtrans-65-43.917700000111.8Q106 V107 S108 R113 R114 N115 T116 V292 L296Q106-A110 VanDerWaalsContact O-CB 3.3Å; Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 2.7Å; V107-A110 PolarHBondContact O-N 3.07Å; S108-A110 PolarHBondContact O-N 2.82Å; A110-R113 CarbonylContact O-C 3.56Å; A110-R113 PolarHBondContact O-N 3.22Å; A110-R114 PolarHBondContact O-N 3.15Å; A110-N115 PolarHBondContact O-N 3.39Å; A110-T116 HydrophobicContact CB-CG2 4.11Å; A110-V292 HydrophobicContact CB-CG1 4.15Å; A110-L296 HydrophobicContact CB-CD1 4.09Å; A110-L296 HydrophobicContact CB-CD2 4.26Å
111C91.9Very high89.4Confident9 Ų979.1 Ų79.16%0.06139%0.388CS..Hα-helixtrans-63.7-45.7177.4-63.20000111.5V107 S108 R113 R114 A168 I170V107-C111 PolarHBondContact O-N 3.14Å; V107-C111 PolarHBondContact O-SG 3.19Å; S108-C111 PolarHBondContact O-N 2.81Å; C111-R113 VanDerWaalsContact C-N 3.27Å; C111-R113 PolarHBondContact O-N 3.01Å; C111-R114 PolarHBondContact O-N 3.06Å; C111-A168 HydrophobicContact CB-CB 3.94Å; C111-I170 HydrophobicContact CB-CG1 4.18Å
112Q91.8Very high89.4Confident164 Ų16476.8 Ų76.877%0.76638%0.376SS*.Hα-helixtrans-59.1-38.2177-74.2172.31.700112.6S108 R114S108-Q112 WeakPolarHBondContact O-CB 3.43Å; S108-Q112 VanDerWaalsContact O-CG 3.27Å; S108-Q112 WeakPolarHBondContact O-CG 3.31Å; S108-Q112 PolarHBondContact O-N 3.19Å; Q112-R114 VanDerWaalsContact C-N 3.27Å; Q112-R114 PolarHBondContact O-N 3.41Å
113R91.5Very high89.4Confident200 Ų20074 Ų7476%0.75537%0.366SS*.THydrogen-bonded Turntrans-82.8-2.5177.4-66.1174.6-175.6-173.90.7113.3A109 A110 C111 N115A109-R113 WeakPolarHBondContact O-CB 3.47Å; A109-R113 VanDerWaalsContact O-CG 3.28Å; A109-R113 WeakPolarHBondContact O-CG 3.31Å; A109-R113 PolarHBondContact O-N 3.05Å; A109-R113 VanDerWaalsContact O-N 3.12Å; A110-R113 CarbonylContact O-C 3.56Å; A110-R113 PolarHBondContact O-N 3.22Å; C111-R113 VanDerWaalsContact C-N 3.27Å; C111-R113 PolarHBondContact O-N 3.01Å; R113-N115 HydrophobicContact CB-CB 4.21Å; R113-N115 PolarHBondContact O-N 3.45Å
114R86.9Confident89.5Confident168 Ų16873 Ų7363%0.63436%0.361SS*.THydrogen-bonded Turntrans49.534.8-169.1-62.6-173.5168.7-159.5-6.9112.9A110 C111 Q112A110-R114 PolarHBondContact O-N 3.15Å; C111-R114 PolarHBondContact O-N 3.06Å; Q112-R114 VanDerWaalsContact C-N 3.27Å; Q112-R114 PolarHBondContact O-N 3.41Å
115N86.5Confident89.7Confident77 Ų7771.3 Ų71.341%0.41235%0.353SS..  trans-111.155.6179.6-17342000110.3A110 R113 G117A110-N115 PolarHBondContact O-N 3.39Å; R113-N115 HydrophobicContact CB-CB 4.21Å; R113-N115 PolarHBondContact O-N 3.45Å; N115-G117 VanDerWaalsContact C-N 3.31Å
116T82.9Confident89.9Confident10 Ų1061 Ų616%0.06131%0.314CS..  trans-95.818177.554.20000112.3A110 T118 V119 I170 V292A110-T116 HydrophobicContact CB-CG2 4.11Å; T116-T118 PolarHBondContact O-N 3.44Å; T116-V119 VanDerWaalsContact O-CB 3.29Å; T116-V119 WeakPolarHBondContact O-CB 3.42Å; T116-V119 WeakPolarHBondContact O-CG2 3.35Å; T116-V119 PolarHBondContact O-N 2.86Å; T116-I170 HydrophobicContact CG2-CD1 4.17Å; T116-I170 HydrophobicContact CG2-CG1 4.01Å; T116-V292 HydrophobicContact CG2-CG1 4.29Å; T116-V292 HydrophobicContact CG2-CG2 4.32Å
117G84.3Confident90Very high40 Ų4055.6 Ų55.641%0.41229%0.289SS..THydrogen-bonded Turntrans58.1-127.117900000112.9N115 Q299N115-G117 VanDerWaalsContact C-N 3.31Å; G117-Q299 VanDerWaalsContact CA-NE2 3.33Å
118T84.8Confident90.2Very high87 Ų8755.6 Ų55.653%0.53429%0.289SS..THydrogen-bonded Turntrans-92.11-17762.30000113.5T116 G120 L121 K122 D295T116-T118 PolarHBondContact O-N 3.44Å; T118-G120 PolarHBondContact O-N 2.96Å; T118-G120 VanDerWaalsContact O-N 3.1Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-K122 PolarHBondContact O-N 3.35Å; T118-D295 PolarHBondContact N-OD2 3.43Å; T118-D295 PolarHBondContact OG1-OD2 3.46Å
119V85.2Confident90.3Very high0 Ų053.7 Ų53.70%028%0.276CS..G310 helixtrans-56.5-32.9-176.4175.70000112.7T116 L121 K122 Y172 F288 V292 D295T116-V119 VanDerWaalsContact O-CB 3.29Å; T116-V119 WeakPolarHBondContact O-CB 3.42Å; T116-V119 WeakPolarHBondContact O-CG2 3.35Å; T116-V119 PolarHBondContact O-N 2.86Å; V119-L121 PolarHBondContact O-N 2.54Å; V119-K122 WeakPolarHBondContact O-CB 3.29Å; V119-K122 PolarHBondContact O-N 2.92Å; V119-Y172 HydrophobicContact CG1-CD2 4.11Å; V119-Y172 HydrophobicContact CG1-CE2 4.35Å; V119-F288 HydrophobicContact CG1-CD2 3.85Å; V119-F288 HydrophobicContact CG1-CE2 3.7Å; V119-V292 HydrophobicContact CB-CG2 4.31Å; V119-V292 HydrophobicContact CG1-CG2 3.86Å; V119-V292 HydrophobicContact CG2-CB 4.46Å; V119-V292 HydrophobicContact CG2-CG2 3.98Å; V119-D295 HydrophobicContact CG2-CB 3.99Å
120G81.9Confident90.4Very high29 Ų2952.2 Ų52.230%0.29926%0.264SS..G310 helixtrans-57.8-19.7175.900000114.8T118 P171T118-G120 PolarHBondContact O-N 2.96Å; T118-G120 VanDerWaalsContact O-N 3.1Å; G120-P171 VanDerWaalsContact CA-O 3.32Å; G120-P171 WeakPolarHBondContact CA-O 3.3Å
121L83.6Confident90.4Very high152 Ų15253.4 Ų53.480%0.79627%0.269SS*.G310 helixtrans-112.5-1.9-179.7-55.9176.3000112.2T118 V119T118-L121 PolarHBondContact O-N 3.39Å; V119-L121 PolarHBondContact O-N 2.54Å
122K86.6Confident90.4Very high39 Ų3955 Ų5517%0.1728%0.277CS..  trans-82.8141.5-173.6-164177179.4-169.20110.6T118 V119 S291T118-K122 PolarHBondContact O-N 3.35Å; V119-K122 WeakPolarHBondContact O-CB 3.29Å; V119-K122 PolarHBondContact O-N 2.92Å; K122-S291 PolarHBondContact NZ-OG 3.29Å
123L91.5Very high90.4Very high84 Ų8453.8 Ų53.844%0.4427%0.266SS..EExtended strand (participates in β ladder)trans-109.6122.7171.8-72.9156.7000108.2I162 S173L123-I162 HydrophobicContact CD2-CG2 4.01Å; L123-S173 WeakPolarHBondContact CA-O 3.43Å
124S96.6Very high90.6Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-96.3124.8168.8-85.10000111Y172 S173 L174 Q175S124-Y172 WeakPolarHBondContact CB-OH 3.32Å; S124-Y172 PolarHBondContact OG-OH 3.43Å; S124-S173 PolarHBondContact N-O 3.39Å; S124-L174 CarbonylContact O-C 3.59Å; S124-L174 WeakPolarHBondContact O-CA 3.49Å; S124-Q175 PolarHBondContact O-N 3.22Å
125K97.1Very high91Very high29 Ų2937.1 Ų37.113%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-75.5122.9175.7-177165.1-178.1-176.30111V127 Q175 Y192 R194 Q197 V198K125-V127 HydrophobicContact CG-CG2 4.2Å; K125-Q175 WeakPolarHBondContact CA-O 3.32Å; K125-Y192 WeakPolarHBondContact CE-O 3.45Å; K125-Y192 PolarHBondContact NZ-O 3.31Å; K125-R194 PolarHBondContact NZ-O 3.27Å; K125-Q197 PolarHBondContact O-N 2.98Å; K125-Q197 PolarHBondContact O-OE1 3.24Å; K125-V198 PolarHBondContact O-N 2.88Å
126V98.2Very high91.5Very high0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-113.8128.4172.1-177.80000107.2L174 Q175 I176 W177 V198 I200 V283V126-L174 HydrophobicContact CG2-CB 4.35Å; V126-L174 HydrophobicContact CG2-CD1 4.18Å; V126-L174 HydrophobicContact CG2-CD2 4.09Å; V126-L174 HydrophobicContact CG2-CG 4.45Å; V126-Q175 PolarHBondContact N-O 3.41Å; V126-I176 HydrophobicContact CB-CG1 4.34Å; V126-W177 PolarHBondContact O-N 3Å; V126-V198 WeakPolarHBondContact CA-O 3.14Å; V126-V198 HydrophobicContact CB-CB 4.34Å; V126-V198 HydrophobicContact CG1-CB 4.09Å; V126-V198 HydrophobicContact CG1-CG1 4.2Å; V126-V198 HydrophobicContact CG2-CB 4.03Å; V126-V198 HydrophobicContact CG2-CG2 4.23Å; V126-I200 HydrophobicContact CG1-CD1 3.43Å; V126-I200 VanDerWaalsContact CG1-CD1 3.43Å; V126-I200 HydrophobicContact CG1-CG1 3.98Å; V126-V283 HydrophobicContact CG2-CG1 4.12Å
127V96.8Very high92.1Very high1 Ų135 Ų351%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-113.3130.4177-179.50000109K125 V129 W177 T179 Y193 A196 V198 I200K125-V127 HydrophobicContact CG-CG2 4.2Å; V127-V129 HydrophobicContact CG1-CG1 3.9Å; V127-W177 HydrophobicContact CG2-CB 4.36Å; V127-T179 HydrophobicContact CG1-CG2 3.97Å; V127-Y193 HydrophobicContact CG1-CD1 3.71Å; V127-Y193 HydrophobicContact CG1-CE1 4.09Å; V127-A196 HydrophobicContact CB-CB 4.45Å; V127-A196 HydrophobicContact CG2-CB 3.78Å; V127-V198 PolarHBondContact N-O 3.14Å; V127-I200 PolarHBondContact O-N 3.09Å
128V96.9Very high92.7Very high0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-108118.3177-167.80000109.5K136 I140 I176 W177 T179 I200V128-K136 HydrophobicContact CG1-CB 3.95Å; V128-K136 HydrophobicContact CG1-CD 4.08Å; V128-K136 HydrophobicContact CG1-CG 3.92Å; V128-I140 HydrophobicContact CB-CD1 4.15Å; V128-I140 HydrophobicContact CG2-CD1 3.83Å; V128-I140 HydrophobicContact CG2-CG1 4.19Å; V128-I176 HydrophobicContact CG2-CG2 4.03Å; V128-W177 PolarHBondContact N-O 2.68Å; V128-T179 WeakPolarHBondContact O-CB 3.48Å; V128-T179 WeakPolarHBondContact O-CG2 3.35Å; V128-T179 PolarHBondContact O-OG1 2.78Å; V128-I200 CarbonylContact C-O 3.59Å; V128-I200 WeakPolarHBondContact CA-O 3.46Å; V128-I200 HydrophobicContact CG1-CB 4.33Å; V128-I200 HydrophobicContact CG1-CG2 4.18Å; V128-I200 HydrophobicContact CG2-CB 4.26Å; V128-I200 HydrophobicContact CG2-CD1 4.19Å
129V95.4Very high93.3Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-124.2164.7-178.5-64.30000111.4V127 K136 T179 Y193 I199 I200 T201 A202 W217V127-V129 HydrophobicContact CG1-CG1 3.9Å; V129-K136 VanDerWaalsContact C-CD 3.46Å; V129-T179 HydrophobicContact CG1-CG2 4.45Å; V129-Y193 HydrophobicContact CG1-CD1 4.43Å; V129-Y193 HydrophobicContact CG1-CE1 3.69Å; V129-I199 HydrophobicContact CG2-CG2 4.25Å; V129-I200 PolarHBondContact N-O 2.97Å; V129-T201 HydrophobicContact CG2-CG2 4.18Å; V129-T201 WeakPolarHBondContact O-CA 3.4Å; V129-A202 PolarHBondContact O-N 2.94Å; V129-W217 HydrophobicContact CB-CB 4.39Å; V129-W217 HydrophobicContact CB-CE3 4.07Å; V129-W217 HydrophobicContact CG2-CB 4.05Å
130G95.1Very high93.8Very high1 Ų130.6 Ų30.61%0.0116%0.164CC..  trans140.1173-176.200000111.8K136 G181G130-K136 PolarHBondContact O-NZ 3.42Å; G130-G181 VanDerWaalsContact O-CA 3.23Å; G130-G181 WeakPolarHBondContact O-CA 3.44Å
131D93.6Very high94.5Very high31 Ų3131.8 Ų31.817%0.16616%0.162CC..  trans-62.9168.7-174.7-75.4-3.3000114V134 K136 T210 H213 W217D131-V134 HydrophobicContact CB-CG1 3.77Å; D131-V134 VanDerWaalsContact O-CG2 3.26Å; D131-V134 WeakPolarHBondContact O-CG2 3.11Å; D131-K136 PolarHBondContact O-NZ 3.11Å; D131-T210 HydrophobicContact CB-CG2 4.32Å; D131-H213 IonicContact OD1-ND1 3.14Å; D131-H213 IonicContact OD2-CE1 2.68Å; D131-H213 IonicContact OD2-CG 3.31Å; D131-H213 IonicContact OD2-ND1 3.28Å; D131-H213 PolarHBondContact OD2-ND1 2.99Å; D131-W217 PolarHBondContact OD1-NE1 3.3Å
132L91.9Very high95.2Very high43 Ų4326.5 Ų26.523%0.22513%0.131CC..THydrogen-bonded Turntrans-59.8151.8166.9-69.6174.3000110.7V134 G181 Q182L132-V134 PolarHBondContact O-N 3.28Å; L132-G181 PolarHBondContact N-O 3.11Å; L132-Q182 HydrophobicContact CD1-CB 3.87Å; L132-Q182 HydrophobicContact CD1-CG 3.87Å; L132-Q182 HydrophobicContact CD2-CB 3.97Å; L132-Q182 HydrophobicContact CG-CB 4.13Å
133Y91.9Very high95.7Very high138 Ų13824.8 Ų24.854%0.54112%0.124SC..THydrogen-bonded Turntrans63.5-4.2174.8-54.4-79.3000117.7G135 Y152 K238Y133-G135 PolarHBondContact O-N 2.85Å; Y133-G135 VanDerWaalsContact O-N 3.13Å; Y133-Y152 AromaticContact CD1-CD1 3.8Å; Y133-Y152 HydrophobicContact CD1-CD1 3.8Å; Y133-Y152 AromaticContact CD1-CD2 3.83Å; Y133-Y152 HydrophobicContact CD1-CD2 3.83Å; Y133-Y152 AromaticContact CD1-CE1 3.66Å; Y133-Y152 HydrophobicContact CD1-CE1 3.66Å; Y133-Y152 AromaticContact CD1-CE2 3.72Å; Y133-Y152 HydrophobicContact CD1-CE2 3.72Å; Y133-Y152 AromaticContact CD1-CG 3.84Å; Y133-Y152 HydrophobicContact CD1-CG 3.84Å; Y133-Y152 AromaticContact CD1-CZ 3.58Å; Y133-Y152 AromaticContact CE1-CD1 3.17Å; Y133-Y152 HydrophobicContact CE1-CD1 3.17Å; Y133-Y152 HydrophobicContact CE1-CD2 4.1Å; Y133-Y152 AromaticContact CE1-CE1 3Å; Y133-Y152 HydrophobicContact CE1-CE1 3Å; Y133-Y152 AromaticContact CE1-CE2 3.98Å; Y133-Y152 HydrophobicContact CE1-CE2 3.98Å; Y133-Y152 AromaticContact CE1-CG 3.69Å; Y133-Y152 HydrophobicContact CE1-CG 3.69Å; Y133-Y152 AromaticContact CE1-CZ 3.42Å; Y133-Y152 VanDerWaalsContact CE1-CZ 3.42Å; Y133-Y152 HydrophobicContact CE2-CE1 4.48Å; Y133-Y152 HydrophobicContact CG-CE2 4.43Å; Y133-Y152 AromaticContact CZ-CE1 3.47Å; Y133-Y152 VanDerWaalsContact CZ-CE1 3.47Å; Y133-Y152 AromaticContact CZ-CZ 3.91Å; Y133-K238 WeakPolarHBondContact O-CE 3.27Å; Y133-K238 PolarHBondContact O-NZ 3.21Å
134V95.5Very high95.9Very high0 Ų022 Ų220%011%0.111CC..SBendtrans-68.3-6.5173.3-51.80000113D131 L132 K136 A202 D204 T210 T237D131-V134 HydrophobicContact CB-CG1 3.77Å; D131-V134 VanDerWaalsContact O-CG2 3.26Å; D131-V134 WeakPolarHBondContact O-CG2 3.11Å; L132-V134 PolarHBondContact O-N 3.28Å; V134-K136 HydrophobicContact CG2-CD 4.43Å; V134-K136 HydrophobicContact CG2-CG 3.75Å; V134-A202 HydrophobicContact CG2-CB 4.14Å; V134-D204 HydrophobicContact CB-CB 4.46Å; V134-D204 HydrophobicContact CG1-CB 4.32Å; V134-T210 HydrophobicContact CG1-CG2 3.87Å; V134-T237 WeakPolarHBondContact O-CB 2.92Å; V134-T237 WeakPolarHBondContact O-CG2 3.28Å; V134-T237 PolarHBondContact O-OG1 3.42Å
135G95.4Very high95.8Very high18 Ų1826.6 Ų26.619%0.18613%0.131CC..  trans86.725.1171.800000116.3Y133 S138 L139Y133-G135 PolarHBondContact O-N 2.85Å; Y133-G135 VanDerWaalsContact O-N 3.13Å; G135-S138 PolarHBondContact O-N 3.35Å; G135-L139 WeakPolarHBondContact O-CB 3.4Å; G135-L139 PolarHBondContact O-N 3.1Å
136K95.9Very high95.6Very high11 Ų1130 Ų305%0.04815%0.151CC..Hα-helixtrans-50.6-55.9172.2-60.3-174.1-61.1-74.30112.7V128 V129 G130 D131 V134 S138 L139 I140 T179 G181 A202V128-K136 HydrophobicContact CG1-CB 3.95Å; V128-K136 HydrophobicContact CG1-CD 4.08Å; V128-K136 HydrophobicContact CG1-CG 3.92Å; V129-K136 VanDerWaalsContact C-CD 3.46Å; G130-K136 PolarHBondContact O-NZ 3.42Å; D131-K136 PolarHBondContact O-NZ 3.11Å; V134-K136 HydrophobicContact CG2-CD 4.43Å; V134-K136 HydrophobicContact CG2-CG 3.75Å; K136-S138 VanDerWaalsContact C-N 3.33Å; K136-S138 PolarHBondContact O-N 3.44Å; K136-L139 WeakPolarHBondContact O-CB 3.3Å; K136-L139 PolarHBondContact O-N 3.05Å; K136-L139 VanDerWaalsContact O-N 3.16Å; K136-I140 WeakPolarHBondContact O-CG1 3.44Å; K136-I140 PolarHBondContact O-N 3.16Å; K136-T179 WeakPolarHBondContact CE-O 3.43Å; K136-G181 VanDerWaalsContact NZ-CA 3.34Å; K136-A202 HydrophobicContact CG-CB 4.01Å
137T95.3Very high95.4Very high32 Ų3233.8 Ų33.820%0.19617%0.173CC..Hα-helixtrans-59.6-42.6178.3-45.70000111.9L139 I140 H141 T155 D178T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.45Å; T137-I140 PolarHBondContact O-N 2.88Å; T137-H141 VanDerWaalsContact O-CB 3.32Å; T137-H141 WeakPolarHBondContact O-CB 3.24Å; T137-H141 PolarHBondContact O-N 2.95Å; T137-T155 PolarHBondContact OG1-OG1 3.34Å; T137-D178 VanDerWaalsContact CB-OD2 3.32Å; T137-D178 WeakPolarHBondContact CB-OD2 3.27Å; T137-D178 WeakPolarHBondContact CG2-OD2 3.46Å; T137-D178 PolarHBondContact OG1-OD1 2.77Å; T137-D178 PolarHBondContact OG1-OD2 3.02Å
138S96.6Very high95.3Very high31 Ų3137 Ų3722%0.21719%0.187CC..Hα-helixtrans-63.7-38.6177.4-54.70000112G135 K136 R142G135-S138 PolarHBondContact O-N 3.35Å; K136-S138 VanDerWaalsContact C-N 3.33Å; K136-S138 PolarHBondContact O-N 3.44Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.3Å
139L97.9Very high94.9Very high1 Ų141 Ų411%0.00521%0.209CC..Hα-helixtrans-63.1-48175.6176.260.2000111.2G135 K136 T137 R142 F143 V235 V268 V276 F279 F280G135-L139 WeakPolarHBondContact O-CB 3.4Å; G135-L139 PolarHBondContact O-N 3.1Å; K136-L139 WeakPolarHBondContact O-CB 3.3Å; K136-L139 PolarHBondContact O-N 3.05Å; K136-L139 VanDerWaalsContact O-N 3.16Å; T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.45Å; L139-R142 PolarHBondContact O-N 3.14Å; L139-F143 PolarHBondContact O-N 2.93Å; L139-V235 HydrophobicContact CD2-CG1 4.03Å; L139-V268 HydrophobicContact CD1-CB 4.45Å; L139-V268 HydrophobicContact CD1-CG2 3.82Å; L139-V268 HydrophobicContact CD2-CG2 4.38Å; L139-V276 HydrophobicContact CD1-CB 4.39Å; L139-V276 HydrophobicContact CD1-CG1 3.9Å; L139-V276 HydrophobicContact CD1-CG2 3.82Å; L139-F279 HydrophobicContact CD2-CE1 4.45Å; L139-F280 HydrophobicContact CD1-CE2 4.03Å; L139-F280 HydrophobicContact CG-CE2 3.96Å; L139-F280 HydrophobicContact CG-CZ 4.28Å
140I97.1Very high94.3Very high3 Ų350.5 Ų50.52%0.01525%0.245CC..Hα-helixtrans-63.6-47.8178.5-63.4166.9000110.4V128 K136 T137 R142 F143 C144 E161 I176 D178V128-I140 HydrophobicContact CB-CD1 4.15Å; V128-I140 HydrophobicContact CG2-CD1 3.83Å; V128-I140 HydrophobicContact CG2-CG1 4.19Å; K136-I140 WeakPolarHBondContact O-CG1 3.44Å; K136-I140 PolarHBondContact O-N 3.16Å; T137-I140 PolarHBondContact O-N 2.88Å; I140-R142 PolarHBondContact O-N 3.13Å; I140-F143 PolarHBondContact O-N 2.85Å; I140-F143 VanDerWaalsContact O-N 3.1Å; I140-C144 PolarHBondContact O-N 2.84Å; I140-C144 PolarHBondContact O-SG 2.83Å; I140-C144 VanDerWaalsContact O-SG 3.4Å; I140-E161 HydrophobicContact CG2-CB 4.37Å; I140-E161 HydrophobicContact CG2-CG 4.01Å; I140-I176 HydrophobicContact CD1-CG2 4.05Å; I140-I176 HydrophobicContact CG1-CG2 3.92Å; I140-I176 HydrophobicContact CG2-CG2 4.25Å; I140-D178 HydrophobicContact CD1-CB 3.48Å; I140-D178 VanDerWaalsContact CD1-CB 3.48Å
141H95.9Very high93.7Very high53 Ų5356.2 Ų56.225%0.24528%0.275CS..Hα-helixtrans-64-38.6178.2-75.1-177.9000113T137 F143 K145 N146 V147T137-H141 VanDerWaalsContact O-CB 3.32Å; T137-H141 WeakPolarHBondContact O-CB 3.24Å; T137-H141 PolarHBondContact O-N 2.95Å; H141-F143 PolarHBondContact O-N 3.32Å; H141-K145 PolarHBondContact NE2-NZ 2.88Å; H141-K145 CarbonylContact O-C 3.53Å; H141-K145 WeakPolarHBondContact O-CA 3.21Å; H141-K145 WeakPolarHBondContact O-CB 3.36Å; H141-K145 PolarHBondContact O-N 2.83Å; H141-N146 PolarHBondContact O-N 2.83Å; H141-N146 VanDerWaalsContact O-N 3.11Å; H141-V147 CarbonylContact C-O 3.57Å; H141-V147 PolarHBondContact O-N 2.89Å
142R97.3Very high92.7Very high41 Ų4159.4 Ų59.416%0.15529%0.285CS..Hα-helixtrans-60.9-39.7173.3172.454.872.2-163.25.3110.5S138 L139 I140 N146 V147 A270 K271 V276S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.3Å; L139-R142 PolarHBondContact O-N 3.14Å; I140-R142 PolarHBondContact O-N 3.13Å; R142-N146 PolarHBondContact NH1-O 2.93Å; R142-N146 PolarHBondContact NH1-OD1 2.82Å; R142-N146 VanDerWaalsContact O-CA 3.24Å; R142-N146 WeakPolarHBondContact O-CA 3.25Å; R142-N146 PolarHBondContact O-N 2.71Å; R142-V147 WeakPolarHBondContact CA-O 3.42Å; R142-V147 PolarHBondContact N-O 3.1Å; R142-A270 HydrophobicContact CB-CB 4.18Å; R142-A270 WeakPolarHBondContact CG-O 3.1Å; R142-A270 PolarHBondContact NE-O 2.66Å; R142-A270 PolarHBondContact NH2-O 2.64Å; R142-K271 PolarHBondContact NH2-O 2.97Å; R142-V276 HydrophobicContact CB-CG1 4.47Å; R142-V276 HydrophobicContact CG-CB 4.23Å; R142-V276 HydrophobicContact CG-CG1 3.98Å; R142-V276 HydrophobicContact CG-CG2 3.99Å
143F97.4Very high92.1Very high4 Ų465 Ų652%0.01831%0.308CS..Hα-helixtrans-71.4-58.5178.8-180-118.1000112.7R82 L139 I140 H141 E163 F165 I176 V276 F280R82-F143 PolarHBondContact NH2-O 2.92Å; L139-F143 PolarHBondContact O-N 2.93Å; I140-F143 PolarHBondContact O-N 2.85Å; I140-F143 VanDerWaalsContact O-N 3.1Å; H141-F143 PolarHBondContact O-N 3.32Å; F143-E163 HydrophobicContact CE1-CB 3.96Å; F143-E163 HydrophobicContact CE1-CG 3.55Å; F143-E163 HydrophobicContact CZ-CG 3.82Å; F143-F165 AromaticContact CE1-CZ 3.99Å; F143-F165 HydrophobicContact CE1-CZ 3.99Å; F143-F165 HydrophobicContact CZ-CE1 4Å; F143-F165 HydrophobicContact CZ-CE2 4.46Å; F143-F165 AromaticContact CZ-CZ 3.5Å; F143-F165 HydrophobicContact CZ-CZ 3.5Å; F143-F165 VanDerWaalsContact CZ-CZ 3.5Å; F143-I176 HydrophobicContact CD1-CD1 3.87Å; F143-I176 HydrophobicContact CE1-CD1 3.93Å; F143-V276 HydrophobicContact CB-CG1 3.81Å; F143-V276 HydrophobicContact CD2-CG1 4.43Å; F143-F280 HydrophobicContact CB-CD2 3.54Å; F143-F280 HydrophobicContact CB-CE2 3.6Å; F143-F280 HydrophobicContact CB-CG 4.31Å; F143-F280 HydrophobicContact CB-CZ 4.42Å; F143-F280 HydrophobicContact CD1-CB 3.94Å; F143-F280 AromaticContact CD1-CD1 3.91Å; F143-F280 HydrophobicContact CD1-CD1 3.91Å; F143-F280 AromaticContact CD1-CD2 3.7Å; F143-F280 HydrophobicContact CD1-CD2 3.7Å; F143-F280 HydrophobicContact CD1-CE1 4.33Å; F143-F280 HydrophobicContact CD1-CE2 4.13Å; F143-F280 AromaticContact CD1-CG 3.57Å; F143-F280 HydrophobicContact CD1-CG 3.57Å; F143-F280 HydrophobicContact CD1-CZ 4.43Å; F143-F280 HydrophobicContact CD2-CB 3.63Å; F143-F280 AromaticContact CD2-CD2 3.62Å; F143-F280 HydrophobicContact CD2-CD2 3.62Å; F143-F280 AromaticContact CD2-CG 3.83Å; F143-F280 HydrophobicContact CD2-CG 3.83Å; F143-F280 HydrophobicContact CE1-CB 3.7Å; F143-F280 HydrophobicContact CE1-CD1 4.05Å; F143-F280 HydrophobicContact CE1-CD2 4.34Å; F143-F280 AromaticContact CE1-CG 3.78Å; F143-F280 HydrophobicContact CE1-CG 3.78Å; F143-F280 HydrophobicContact CE2-CB 3.4Å; F143-F280 VanDerWaalsContact CE2-CB 3.4Å; F143-F280 HydrophobicContact CE2-CD2 4.3Å; F143-F280 HydrophobicContact CE2-CG 4.06Å; F143-F280 HydrophobicContact CG-CB 3.92Å; F143-F280 HydrophobicContact CG-CD1 4.36Å; F143-F280 AromaticContact CG-CD2 3.3Å; F143-F280 HydrophobicContact CG-CD2 3.3Å; F143-F280 AromaticContact CG-CE2 3.83Å; F143-F280 HydrophobicContact CG-CE2 3.83Å; F143-F280 AromaticContact CG-CG 3.6Å; F143-F280 HydrophobicContact CG-CG 3.6Å; F143-F280 HydrophobicContact CZ-CB 3.46Å; F143-F280 VanDerWaalsContact CZ-CB 3.46Å; F143-F280 HydrophobicContact CZ-CG 4.06Å
144C95.6Very high91.5Very high25 Ų2561 Ų6117%0.16930%0.304CS..Hα-helixtrans-77.4-35.8-170.4-52.40000113.1I140 E161I140-C144 PolarHBondContact O-N 2.84Å; I140-C144 PolarHBondContact O-SG 2.83Å; I140-C144 VanDerWaalsContact O-SG 3.4Å; C144-E161 HydrophobicContact CB-CB 4.29Å; C144-E161 HydrophobicContact CB-CG 4.32Å
145K94.3Very high90.6Very high97 Ų9762.4 Ų62.442%0.42231%0.312SS..THydrogen-bonded Turntrans-110.7-10.6-172.5-60.3172.6-176.11610112.9H141 V147 E161H141-K145 PolarHBondContact NE2-NZ 2.88Å; H141-K145 CarbonylContact O-C 3.53Å; H141-K145 WeakPolarHBondContact O-CA 3.21Å; H141-K145 WeakPolarHBondContact O-CB 3.36Å; H141-K145 PolarHBondContact O-N 2.83Å; K145-V147 HydrophobicContact CB-CB 4.33Å; K145-V147 HydrophobicContact CB-CG2 4.23Å; K145-V147 PolarHBondContact O-N 2.93Å; K145-E161 WeakPolarHBondContact CE-OE1 3.24Å; K145-E161 IonicContact NZ-OE1 2.64Å; K145-E161 PolarHBondContact NZ-OE1 3.3Å
146N94.8Very high89.8Confident101 Ų10168.9 Ų68.954%0.5434%0.341SS..  trans52.234.6-169.7-164.829.7000113.3H141 R142H141-N146 PolarHBondContact O-N 2.83Å; H141-N146 VanDerWaalsContact O-N 3.11Å; R142-N146 PolarHBondContact NH1-O 2.93Å; R142-N146 PolarHBondContact NH1-OD1 2.82Å; R142-N146 VanDerWaalsContact O-CA 3.24Å; R142-N146 WeakPolarHBondContact O-CA 3.25Å; R142-N146 PolarHBondContact O-N 2.71Å
147V93.6Very high88.9Confident79 Ų7969.3 Ų69.348%0.47935%0.348SS..  trans-116.7143.6178.9174.80000109.4H141 R142 K145H141-V147 CarbonylContact C-O 3.57Å; H141-V147 PolarHBondContact O-N 2.89Å; R142-V147 WeakPolarHBondContact CA-O 3.42Å; R142-V147 PolarHBondContact N-O 3.1Å; K145-V147 HydrophobicContact CB-CB 4.33Å; K145-V147 HydrophobicContact CB-CG2 4.23Å; K145-V147 PolarHBondContact O-N 2.93Å
148F93.8Very high88.3Confident67 Ų6769.5 Ų69.529%0.29435%0.349SS..  trans-128118.5167.4174.9-97.3000108.4R150 A270 K271F148-R150 HydrophobicContact CD1-CG 4.35Å; F148-R150 HydrophobicContact CE1-CG 3.74Å; F148-A270 HydrophobicContact CD2-CB 4.07Å; F148-A270 WeakPolarHBondContact CD2-O 3.43Å; F148-A270 HydrophobicContact CE2-CB 4.29Å; F148-K271 HydrophobicContact CD1-CB 4.31Å; F148-K271 HydrophobicContact CD1-CG 4.11Å; F148-K271 HydrophobicContact CD2-CB 4.26Å; F148-K271 HydrophobicContact CE1-CB 4Å; F148-K271 HydrophobicContact CE1-CG 3.76Å; F148-K271 HydrophobicContact CE2-CB 3.96Å; F148-K271 HydrophobicContact CG-CB 4.43Å; F148-K271 HydrophobicContact CZ-CB 3.82Å; F148-K271 HydrophobicContact CZ-CG 4.05Å
149D88.8Confident87.9Confident85 Ų8572 Ų7246%0.45536%0.36SS..  trans-98.2132.6174.2-163.3-16000109D151D149-D151 PolarHBondContact OD1-N 3.29Å
150R82.3Confident87.6Confident200 Ų20076.1 Ų76.176%0.75538%0.378SS*.SBendtrans-81.7-27.3174.7-73.7-175.6-179.7-155.12.8111.5F148 Y152F148-R150 HydrophobicContact CD1-CG 4.35Å; F148-R150 HydrophobicContact CE1-CG 3.74Å; R150-Y152 PolarHBondContact O-N 3.36Å; R150-Y152 VanDerWaalsContact O-N 3.11Å
151D82.7Confident87.6Confident121 Ų12178.1 Ų78.165%0.64739%0.388SS*.SBendtrans-80.498.5-177.4-67-22.6000108.8D149 K153D149-D151 PolarHBondContact OD1-N 3.29Å; D151-K153 PolarHBondContact O-N 3.1Å
152Y73.3Confident87.5Confident98 Ų9879.3 Ų79.338%0.38440%0.395SS..  trans-62.6130.9178.4174.4-93.9000111Y133 R150 A154Y133-Y152 AromaticContact CD1-CD1 3.8Å; Y133-Y152 HydrophobicContact CD1-CD1 3.8Å; Y133-Y152 AromaticContact CD1-CD2 3.83Å; Y133-Y152 HydrophobicContact CD1-CD2 3.83Å; Y133-Y152 AromaticContact CD1-CE1 3.66Å; Y133-Y152 HydrophobicContact CD1-CE1 3.66Å; Y133-Y152 AromaticContact CD1-CE2 3.72Å; Y133-Y152 HydrophobicContact CD1-CE2 3.72Å; Y133-Y152 AromaticContact CD1-CG 3.84Å; Y133-Y152 HydrophobicContact CD1-CG 3.84Å; Y133-Y152 AromaticContact CD1-CZ 3.58Å; Y133-Y152 AromaticContact CE1-CD1 3.17Å; Y133-Y152 HydrophobicContact CE1-CD1 3.17Å; Y133-Y152 HydrophobicContact CE1-CD2 4.1Å; Y133-Y152 AromaticContact CE1-CE1 3Å; Y133-Y152 HydrophobicContact CE1-CE1 3Å; Y133-Y152 AromaticContact CE1-CE2 3.98Å; Y133-Y152 HydrophobicContact CE1-CE2 3.98Å; Y133-Y152 AromaticContact CE1-CG 3.69Å; Y133-Y152 HydrophobicContact CE1-CG 3.69Å; Y133-Y152 AromaticContact CE1-CZ 3.42Å; Y133-Y152 VanDerWaalsContact CE1-CZ 3.42Å; Y133-Y152 HydrophobicContact CE2-CE1 4.48Å; Y133-Y152 HydrophobicContact CG-CE2 4.43Å; Y133-Y152 AromaticContact CZ-CE1 3.47Å; Y133-Y152 VanDerWaalsContact CZ-CE1 3.47Å; Y133-Y152 AromaticContact CZ-CZ 3.91Å; R150-Y152 PolarHBondContact O-N 3.36Å; R150-Y152 VanDerWaalsContact O-N 3.11Å; Y152-A154 HydrophobicContact CE1-CB 3.78Å; Y152-A154 VanDerWaalsContact CE1-N 3.32Å; Y152-A154 VanDerWaalsContact CZ-CA 3.5Å; Y152-A154 WeakPolarHBondContact OH-CA 3.39Å
153K78.6Confident87.5Confident161 Ų16178.7 Ų78.770%0.739%0.394SS*.  trans-124.7124.1166.5-66.4174.5-175.5162.10107.4D151 T155D151-K153 PolarHBondContact O-N 3.1Å; K153-T155 PolarHBondContact O-N 2.84Å
154A80.1Confident87.4Confident54 Ų5485.1 Ų85.145%0.44642%0.418SS..  trans-60.8130.4176.900000110.1Y152 I156Y152-A154 HydrophobicContact CE1-CB 3.78Å; Y152-A154 VanDerWaalsContact CE1-N 3.32Å; Y152-A154 VanDerWaalsContact CZ-CA 3.5Å; Y152-A154 WeakPolarHBondContact OH-CA 3.39Å; A154-I156 PolarHBondContact O-N 2.94Å
155T76.8Confident87.4Confident28 Ų2884 Ų8417%0.17241%0.41CS..  trans-64.5116.8173-530000108.7T137 K153 D178 A180T137-T155 PolarHBondContact OG1-OG1 3.34Å; K153-T155 PolarHBondContact O-N 2.84Å; T155-D178 PolarHBondContact OG1-OD2 2.85Å; T155-A180 VanDerWaalsContact O-CB 3.31Å; T155-A180 WeakPolarHBondContact O-CB 3.43Å
156I77.1Confident87.5Confident154 Ų15483.1 Ų83.179%0.7941%0.407SS*.  trans-92.1107.7175.2-58.2176.7000107.5A154A154-I156 PolarHBondContact O-N 2.94Å
157G76.9Confident87.6Confident20 Ų2078.3 Ų78.321%0.20638%0.382CS..SBendtrans81.9-129.9-178.300000112.6A180G157-A180 VanDerWaalsContact O-CB 3.27Å; G157-A180 WeakPolarHBondContact O-CB 3.43Å; G157-A180 PolarHBondContact O-N 3.07Å; G157-A180 VanDerWaalsContact O-N 3.08Å
158V84.1Confident87.6Confident36 Ų3676.2 Ų76.222%0.21837%0.373CS..EExtended strand (participates in β ladder)trans-136.8136-174.6-178.90000108.8W177 D178 Y192V158-W177 HydrophobicContact CG1-CE3 3.52Å; V158-W177 HydrophobicContact CG1-CZ3 4.05Å; V158-D178 WeakPolarHBondContact CA-O 3.37Å; V158-D178 WeakPolarHBondContact CG1-O 3.27Å; V158-Y192 HydrophobicContact CB-CD1 4.4Å; V158-Y192 HydrophobicContact CB-CD2 4.19Å; V158-Y192 HydrophobicContact CB-CE1 4.48Å; V158-Y192 HydrophobicContact CB-CE2 4.28Å; V158-Y192 HydrophobicContact CB-CG 4.24Å; V158-Y192 HydrophobicContact CG1-CD1 4.12Å; V158-Y192 HydrophobicContact CG1-CD2 4.45Å; V158-Y192 HydrophobicContact CG1-CG 4.03Å; V158-Y192 HydrophobicContact CG2-CD2 3.54Å; V158-Y192 HydrophobicContact CG2-CE2 3.82Å; V158-Y192 HydrophobicContact CG2-CG 3.94Å
159D88.6Confident87.5Confident85 Ų8574.8 Ų74.846%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-124.6162.9174.5-158.93.1000109.7W177 D178D159-W177 CarbonylContact O-C 3.54Å; D159-W177 WeakPolarHBondContact O-CA 3.34Å; D159-D178 PolarHBondContact N-O 2.91Å; D159-D178 PolarHBondContact O-N 2.83Å
160F91.4Very high87.7Confident86 Ų8671.3 Ų71.338%0.37736%0.358SS..EExtended strand (participates in β ladder)trans-145.4148.9174.973.3-88.8000113.3I162 Q175 I176 W177F160-I162 HydrophobicContact CD2-CG1 4.13Å; F160-I162 HydrophobicContact CE2-CD1 4.07Å; F160-I162 HydrophobicContact CE2-CG1 4.02Å; F160-Q175 HydrophobicContact CB-CG 4.44Å; F160-Q175 HydrophobicContact CD2-CG 3.84Å; F160-Q175 HydrophobicContact CG-CG 4.36Å; F160-I176 CarbonylContact C-O 3.58Å; F160-I176 WeakPolarHBondContact CA-O 3.39Å; F160-I176 WeakPolarHBondContact CB-O 3.32Å; F160-W177 HydrophobicContact CB-CD2 3.96Å; F160-W177 HydrophobicContact CB-CE3 4.11Å; F160-W177 HydrophobicContact CB-CG 4.21Å; F160-W177 HydrophobicContact CD1-CH2 4.22Å; F160-W177 HydrophobicContact CD1-CZ3 4.16Å
161E95.4Very high88.2Confident46 Ų4665.1 Ų65.122%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-116.6145.3172.8-66.8-65.7170.100109.9I140 C144 K145 Q175 I176I140-E161 HydrophobicContact CG2-CB 4.37Å; I140-E161 HydrophobicContact CG2-CG 4.01Å; C144-E161 HydrophobicContact CB-CB 4.29Å; C144-E161 HydrophobicContact CB-CG 4.32Å; K145-E161 WeakPolarHBondContact CE-OE1 3.24Å; K145-E161 IonicContact NZ-OE1 2.64Å; K145-E161 PolarHBondContact NZ-OE1 3.3Å; E161-Q175 CarbonylContact O-C 3.59Å; E161-Q175 WeakPolarHBondContact O-CA 3.37Å; E161-I176 PolarHBondContact N-O 2.87Å; E161-I176 PolarHBondContact O-N 3.41Å
162I95.6Very high88.8Confident78 Ų7859.4 Ų59.440%0.431%0.314SS..EExtended strand (participates in β ladder)trans-107.9116172.2-61.8176.5000108.3L123 F160 L174 Q175L123-I162 HydrophobicContact CD2-CG2 4.01Å; F160-I162 HydrophobicContact CD2-CG1 4.13Å; F160-I162 HydrophobicContact CE2-CD1 4.07Å; F160-I162 HydrophobicContact CE2-CG1 4.02Å; I162-L174 CarbonylContact C-O 3.57Å; I162-L174 WeakPolarHBondContact CA-O 3.45Å; I162-Q175 HydrophobicContact CG1-CG 4.4Å
163E96.1Very high89.9Confident28 Ų2855.8 Ų55.813%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-107.2128.3176.3-164.773.7-170.800110.8R82 F143 F165 S173 L174 I176R82-E163 IonicContact CZ-OE1 2.73Å; R82-E163 VanDerWaalsContact CZ-OE1 3.29Å; R82-E163 IonicContact NE-OE1 3.62Å; R82-E163 PolarHBondContact NE-OE1 3.35Å; R82-E163 IonicContact NH2-OE1 3.82Å; R82-E163 PolarHBondContact NH2-OE1 3.39Å; F143-E163 HydrophobicContact CE1-CB 3.96Å; F143-E163 HydrophobicContact CE1-CG 3.55Å; F143-E163 HydrophobicContact CZ-CG 3.82Å; E163-F165 HydrophobicContact CB-CE2 3.91Å; E163-F165 HydrophobicContact CG-CD2 4.44Å; E163-F165 HydrophobicContact CG-CE2 3.76Å; E163-F165 HydrophobicContact CG-CZ 4.04Å; E163-S173 CarbonylContact O-C 3.56Å; E163-S173 VanDerWaalsContact O-CA 3.28Å; E163-S173 WeakPolarHBondContact O-CA 3.16Å; E163-L174 PolarHBondContact N-O 2.68Å; E163-L174 PolarHBondContact O-N 3.14Å; E163-I176 HydrophobicContact CB-CD1 4.35Å
164R95.8Very high90.8Very high139 Ų13948.1 Ų48.153%0.52527%0.269SS..EExtended strand (participates in β ladder)trans-97139.2178.6-61.5-173.5176.2130.60.2111.4V78 R82V78-R164 HydrophobicContact CG1-CB 3.9Å; R82-R164 WeakPolarHBondContact CB-O 3.22Å
165F96.3Very high91.6Very high2 Ų247.5 Ų47.51%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-128.5160.2177.5-62.7-99.8000110.8R82 I84 F143 E163 I167 Y172 L174 A284R82-F165 HydrophobicContact CB-CD1 4.14Å; R82-F165 WeakPolarHBondContact O-CA 2.94Å; I84-F165 HydrophobicContact CD1-CD1 3.99Å; I84-F165 HydrophobicContact CD1-CE1 4.35Å; F143-F165 AromaticContact CE1-CZ 3.99Å; F143-F165 HydrophobicContact CE1-CZ 3.99Å; F143-F165 HydrophobicContact CZ-CE1 4Å; F143-F165 HydrophobicContact CZ-CE2 4.46Å; F143-F165 AromaticContact CZ-CZ 3.5Å; F143-F165 HydrophobicContact CZ-CZ 3.5Å; F143-F165 VanDerWaalsContact CZ-CZ 3.5Å; E163-F165 HydrophobicContact CB-CE2 3.91Å; E163-F165 HydrophobicContact CG-CD2 4.44Å; E163-F165 HydrophobicContact CG-CE2 3.76Å; E163-F165 HydrophobicContact CG-CZ 4.04Å; F165-I167 HydrophobicContact CB-CD1 4.07Å; F165-I167 HydrophobicContact CB-CG1 3.8Å; F165-Y172 PolarHBondContact N-O 3.11Å; F165-Y172 PolarHBondContact O-N 3.21Å; F165-L174 HydrophobicContact CD2-CG 4.33Å; F165-L174 HydrophobicContact CE2-CB 4.22Å; F165-L174 HydrophobicContact CE2-CD1 3.72Å; F165-L174 HydrophobicContact CE2-CG 3.74Å; F165-L174 HydrophobicContact CZ-CD1 4.03Å; F165-A284 HydrophobicContact CD1-CB 3.99Å; F165-A284 HydrophobicContact CD2-CB 4.19Å; F165-A284 HydrophobicContact CE1-CB 3.72Å; F165-A284 HydrophobicContact CE2-CB 3.96Å; F165-A284 HydrophobicContact CG-CB 4.2Å; F165-A284 HydrophobicContact CZ-CB 3.68Å
166E95.7Very high92.6Very high77 Ų7746.1 Ų46.136%0.3625%0.249SC..EExtended strand (participates in β ladder)trans-118.6111.3160.5-175.9-176.413200107.6V78 R82 V83 I84 I170V78-E166 HydrophobicContact CG2-CB 3.74Å; R82-E166 PolarHBondContact O-N 3.07Å; V83-E166 CarbonylContact C-O 3.52Å; V83-E166 WeakPolarHBondContact CA-O 3.38Å; V83-E166 HydrophobicContact CG2-CB 4.41Å; I84-E166 PolarHBondContact N-O 3.24Å; E166-I170 WeakPolarHBondContact CA-O 3.18Å
167I95.7Very high93.5Very high0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-116.3120-174.2-52.1-177.2000108.2I84 F103 F165 G169 I170 Y172 A284 F288I84-I167 HydrophobicContact CB-CB 4.47Å; I84-I167 HydrophobicContact CB-CG1 4.17Å; I84-I167 HydrophobicContact CB-CG2 4.19Å; I84-I167 HydrophobicContact CD1-CD1 4.13Å; I84-I167 HydrophobicContact CD1-CG1 4.14Å; I84-I167 HydrophobicContact CG1-CG1 4.42Å; I84-I167 HydrophobicContact CG2-CG2 4.3Å; I84-I167 WeakPolarHBondContact O-CA 3.36Å; F103-I167 HydrophobicContact CE1-CG2 3.94Å; F103-I167 HydrophobicContact CZ-CG2 3.57Å; F165-I167 HydrophobicContact CB-CD1 4.07Å; F165-I167 HydrophobicContact CB-CG1 3.8Å; I167-G169 PolarHBondContact O-N 3.21Å; I167-G169 VanDerWaalsContact O-N 3.12Å; I167-I170 PolarHBondContact N-O 3.32Å; I167-I170 WeakPolarHBondContact O-CB 3.42Å; I167-I170 PolarHBondContact O-N 3.25Å; I167-Y172 HydrophobicContact CD1-CD1 3.67Å; I167-Y172 HydrophobicContact CD1-CE1 4.44Å; I167-Y172 HydrophobicContact CD1-CG 4.24Å; I167-A284 HydrophobicContact CD1-CB 3.96Å; I167-F288 HydrophobicContact CB-CD1 4.1Å; I167-F288 HydrophobicContact CB-CD2 4.24Å; I167-F288 HydrophobicContact CB-CE1 4.26Å; I167-F288 HydrophobicContact CB-CE2 4.4Å; I167-F288 HydrophobicContact CB-CG 4.08Å; I167-F288 HydrophobicContact CB-CZ 4.4Å; I167-F288 HydrophobicContact CD1-CB 3.76Å; I167-F288 HydrophobicContact CD1-CD2 4.45Å; I167-F288 HydrophobicContact CD1-CG 4.07Å; I167-F288 HydrophobicContact CG2-CB 4.44Å; I167-F288 HydrophobicContact CG2-CD1 3.53Å; I167-F288 HydrophobicContact CG2-CE1 3.82Å; I167-F288 HydrophobicContact CG2-CG 3.93Å; I167-F288 HydrophobicContact CG2-CZ 4.43Å
168A93.6Very high94.2Very high36 Ų3640 Ų4030%0.29821%0.21SC..THydrogen-bonded Turntrans50.534.5-173.700000113.6I84 C111 I170I84-A168 PolarHBondContact O-N 2.84Å; C111-A168 HydrophobicContact CB-CB 3.94Å; A168-I170 VanDerWaalsContact C-N 3.32Å
169G91.7Very high94.4Very high37 Ų3738.3 Ų38.338%0.38120%0.2SC..THydrogen-bonded Turntrans78.88.8-178.100000115.1I167I167-G169 PolarHBondContact O-N 3.21Å; I167-G169 VanDerWaalsContact O-N 3.12Å
170I93.2Very high94.1Very high11 Ų1134.3 Ų34.36%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-109.1127.8179.4-53-60.8000109.1C111 T116 E166 I167 A168 Y172 F288C111-I170 HydrophobicContact CB-CG1 4.18Å; T116-I170 HydrophobicContact CG2-CD1 4.17Å; T116-I170 HydrophobicContact CG2-CG1 4.01Å; E166-I170 WeakPolarHBondContact CA-O 3.18Å; I167-I170 PolarHBondContact N-O 3.32Å; I167-I170 WeakPolarHBondContact O-CB 3.42Å; I167-I170 PolarHBondContact O-N 3.25Å; A168-I170 VanDerWaalsContact C-N 3.32Å; I170-Y172 PolarHBondContact O-N 3.48Å; I170-F288 HydrophobicContact CB-CE2 3.94Å; I170-F288 HydrophobicContact CB-CZ 3.98Å; I170-F288 HydrophobicContact CG1-CZ 4.22Å; I170-F288 HydrophobicContact CG2-CE2 3.94Å; I170-F288 HydrophobicContact CG2-CZ 4.36Å
171P94Very high93Very high70 Ų7030.4 Ų30.446%0.45516%0.163SC..EExtended strand (participates in β ladder)trans-58.5138.4172-22.833.5000110.8G120G120-P171 VanDerWaalsContact CA-O 3.32Å; G120-P171 WeakPolarHBondContact CA-O 3.3Å
172Y95.4Very high91.8Very high2 Ų230.9 Ų30.91%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-149.1156.3177.7-172.4-115.1000110.2V119 S124 F165 I167 I170 L174 A287 F288V119-Y172 HydrophobicContact CG1-CD2 4.11Å; V119-Y172 HydrophobicContact CG1-CE2 4.35Å; S124-Y172 WeakPolarHBondContact CB-OH 3.32Å; S124-Y172 PolarHBondContact OG-OH 3.43Å; F165-Y172 PolarHBondContact N-O 3.11Å; F165-Y172 PolarHBondContact O-N 3.21Å; I167-Y172 HydrophobicContact CD1-CD1 3.67Å; I167-Y172 HydrophobicContact CD1-CE1 4.44Å; I167-Y172 HydrophobicContact CD1-CG 4.24Å; I170-Y172 PolarHBondContact O-N 3.48Å; Y172-L174 HydrophobicContact CD1-CD2 4.47Å; Y172-L174 HydrophobicContact CE1-CD2 3.66Å; Y172-L174 HydrophobicContact CE1-CG 4.45Å; Y172-A287 HydrophobicContact CE1-CB 4.42Å; Y172-A287 WeakPolarHBondContact OH-CB 3.31Å; Y172-A287 PolarHBondContact OH-O 2.84Å; Y172-A287 VanDerWaalsContact OH-O 3.13Å; Y172-F288 HydrophobicContact CD1-CB 3.98Å; Y172-F288 HydrophobicContact CD1-CD2 4.36Å; Y172-F288 HydrophobicContact CD2-CB 4.44Å; Y172-F288 AromaticContact CD2-CD2 3.73Å; Y172-F288 HydrophobicContact CD2-CD2 3.73Å; Y172-F288 HydrophobicContact CE1-CB 3.83Å; Y172-F288 HydrophobicContact CE2-CB 4.31Å; Y172-F288 HydrophobicContact CE2-CD2 4.21Å; Y172-F288 HydrophobicContact CG-CB 4.25Å; Y172-F288 AromaticContact CG-CD2 3.79Å; Y172-F288 HydrophobicContact CG-CD2 3.79Å; Y172-F288 HydrophobicContact CG-CG 4.48Å; Y172-F288 PolarHBondContact OH-N 3.08Å
173S96.1Very high90.3Very high21 Ų2132.5 Ų32.515%0.14717%0.171CC..EExtended strand (participates in β ladder)trans-143.3139.5-179.3-64.60000112.1L123 S124 E163L123-S173 WeakPolarHBondContact CA-O 3.43Å; S124-S173 PolarHBondContact N-O 3.39Å; E163-S173 CarbonylContact O-C 3.56Å; E163-S173 VanDerWaalsContact O-CA 3.28Å; E163-S173 WeakPolarHBondContact O-CA 3.16Å
174L97.6Very high88.6Confident0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-102.4139.7169.8-62.9-175.6000109.5S124 V126 I162 E163 F165 Y172 I176 V283 A284 A287S124-L174 CarbonylContact O-C 3.59Å; S124-L174 WeakPolarHBondContact O-CA 3.49Å; V126-L174 HydrophobicContact CG2-CB 4.35Å; V126-L174 HydrophobicContact CG2-CD1 4.18Å; V126-L174 HydrophobicContact CG2-CD2 4.09Å; V126-L174 HydrophobicContact CG2-CG 4.45Å; I162-L174 CarbonylContact C-O 3.57Å; I162-L174 WeakPolarHBondContact CA-O 3.45Å; E163-L174 PolarHBondContact N-O 2.68Å; E163-L174 PolarHBondContact O-N 3.14Å; F165-L174 HydrophobicContact CD2-CG 4.33Å; F165-L174 HydrophobicContact CE2-CB 4.22Å; F165-L174 HydrophobicContact CE2-CD1 3.72Å; F165-L174 HydrophobicContact CE2-CG 3.74Å; F165-L174 HydrophobicContact CZ-CD1 4.03Å; Y172-L174 HydrophobicContact CD1-CD2 4.47Å; Y172-L174 HydrophobicContact CE1-CD2 3.66Å; Y172-L174 HydrophobicContact CE1-CG 4.45Å; L174-I176 HydrophobicContact CB-CG1 4.11Å; L174-V283 HydrophobicContact CD1-CG1 4.15Å; L174-A284 HydrophobicContact CD1-CB 3.82Å; L174-A284 HydrophobicContact CG-CB 4.33Å; L174-A287 HydrophobicContact CD2-CB 4.32Å
175Q97.3Very high87.1Confident41 Ų4135.2 Ų35.219%0.19219%0.186CC..EExtended strand (participates in β ladder)trans-106.7106.6165.7-172.4-173.944.100107.7S124 K125 V126 F160 E161 I162S124-Q175 PolarHBondContact O-N 3.22Å; K125-Q175 WeakPolarHBondContact CA-O 3.32Å; V126-Q175 PolarHBondContact N-O 3.41Å; F160-Q175 HydrophobicContact CB-CG 4.44Å; F160-Q175 HydrophobicContact CD2-CG 3.84Å; F160-Q175 HydrophobicContact CG-CG 4.36Å; E161-Q175 CarbonylContact O-C 3.59Å; E161-Q175 WeakPolarHBondContact O-CA 3.37Å; I162-Q175 HydrophobicContact CG1-CG 4.4Å
176I97.5Very high85.5Confident0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-100.2113-172.5-52.5170.1000108.4V126 V128 I140 F143 F160 E161 E163 L174 F280V126-I176 HydrophobicContact CB-CG1 4.34Å; V128-I176 HydrophobicContact CG2-CG2 4.03Å; I140-I176 HydrophobicContact CD1-CG2 4.05Å; I140-I176 HydrophobicContact CG1-CG2 3.92Å; I140-I176 HydrophobicContact CG2-CG2 4.25Å; F143-I176 HydrophobicContact CD1-CD1 3.87Å; F143-I176 HydrophobicContact CE1-CD1 3.93Å; F160-I176 CarbonylContact C-O 3.58Å; F160-I176 WeakPolarHBondContact CA-O 3.39Å; F160-I176 WeakPolarHBondContact CB-O 3.32Å; E161-I176 PolarHBondContact N-O 2.87Å; E161-I176 PolarHBondContact O-N 3.41Å; E163-I176 HydrophobicContact CB-CD1 4.35Å; L174-I176 HydrophobicContact CB-CG1 4.11Å; I176-F280 HydrophobicContact CD1-CD1 4.14Å; I176-F280 HydrophobicContact CD1-CE1 3.93Å; I176-F280 HydrophobicContact CG2-CE1 4.41Å
177W95Very high83.9Confident35 Ų3539.7 Ų39.713%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-95.2117-177.1-66.975.8000110.5V126 V127 V128 V158 D159 F160 Y192V126-W177 PolarHBondContact O-N 3Å; V127-W177 HydrophobicContact CG2-CB 4.36Å; V128-W177 PolarHBondContact N-O 2.68Å; V158-W177 HydrophobicContact CG1-CE3 3.52Å; V158-W177 HydrophobicContact CG1-CZ3 4.05Å; D159-W177 CarbonylContact O-C 3.54Å; D159-W177 WeakPolarHBondContact O-CA 3.34Å; F160-W177 HydrophobicContact CB-CD2 3.96Å; F160-W177 HydrophobicContact CB-CE3 4.11Å; F160-W177 HydrophobicContact CB-CG 4.21Å; F160-W177 HydrophobicContact CD1-CH2 4.22Å; F160-W177 HydrophobicContact CD1-CZ3 4.16Å; W177-Y192 AromaticContact CE3-CD1 3.98Å; W177-Y192 HydrophobicContact CE3-CD1 3.98Å; W177-Y192 HydrophobicContact CH2-CD1 4.13Å; W177-Y192 AromaticContact CZ3-CD1 3.42Å; W177-Y192 HydrophobicContact CZ3-CD1 3.42Å; W177-Y192 VanDerWaalsContact CZ3-CD1 3.42Å; W177-Y192 AromaticContact CZ3-CE1 3.95Å; W177-Y192 HydrophobicContact CZ3-CE1 3.95Å; W177-Y192 HydrophobicContact CZ3-CG 4.4Å
178D92.5Very high82.4Confident9 Ų944.1 Ų44.15%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-87.1125.5170.6-170.728.4000109.8T137 I140 T155 V158 D159T137-D178 VanDerWaalsContact CB-OD2 3.32Å; T137-D178 WeakPolarHBondContact CB-OD2 3.27Å; T137-D178 WeakPolarHBondContact CG2-OD2 3.46Å; T137-D178 PolarHBondContact OG1-OD1 2.77Å; T137-D178 PolarHBondContact OG1-OD2 3.02Å; I140-D178 HydrophobicContact CD1-CB 3.48Å; I140-D178 VanDerWaalsContact CD1-CB 3.48Å; T155-D178 PolarHBondContact OG1-OD2 2.85Å; V158-D178 WeakPolarHBondContact CA-O 3.37Å; V158-D178 WeakPolarHBondContact CG1-O 3.27Å; D159-D178 PolarHBondContact N-O 2.91Å; D159-D178 PolarHBondContact O-N 2.83Å
179T88.1Confident81.3Confident1 Ų142.5 Ų42.51%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-111.3144.1-176.968.50000110.9V127 V128 V129 K136 G181 Y193V127-T179 HydrophobicContact CG1-CG2 3.97Å; V128-T179 WeakPolarHBondContact O-CB 3.48Å; V128-T179 WeakPolarHBondContact O-CG2 3.35Å; V128-T179 PolarHBondContact O-OG1 2.78Å; V129-T179 HydrophobicContact CG1-CG2 4.45Å; K136-T179 WeakPolarHBondContact CE-O 3.43Å; T179-G181 PolarHBondContact O-N 3.22Å; T179-Y193 HydrophobicContact CG2-CE1 4.05Å
180A81.7Confident80.5Confident2 Ų242.4 Ų42.42%0.01722%0.22CC..  trans-60.4125.2169.200000110.1T155 G157 Q182 F185T155-A180 VanDerWaalsContact O-CB 3.31Å; T155-A180 WeakPolarHBondContact O-CB 3.43Å; G157-A180 VanDerWaalsContact O-CB 3.27Å; G157-A180 WeakPolarHBondContact O-CB 3.43Å; G157-A180 PolarHBondContact O-N 3.07Å; G157-A180 VanDerWaalsContact O-N 3.08Å; A180-Q182 PolarHBondContact O-N 3.4Å; A180-F185 HydrophobicContact CB-CB 4.21Å; A180-F185 HydrophobicContact CB-CD2 4.16Å
181G69.4Low79.9Confident4 Ų445.3 Ų45.34%0.04125%0.246CC..  trans-77.42.3176.600000114.5G130 L132 K136 T179G130-G181 VanDerWaalsContact O-CA 3.23Å; G130-G181 WeakPolarHBondContact O-CA 3.44Å; L132-G181 PolarHBondContact N-O 3.11Å; K136-G181 VanDerWaalsContact NZ-CA 3.34Å; T179-G181 PolarHBondContact O-N 3.22Å
182Q70.4Confident79.5Confident56 Ų5646.3 Ų46.326%0.26224%0.242SC..  trans-83.1129.1-176.4-162.7165.735.100110.3L132 A180 K184 F185L132-Q182 HydrophobicContact CD1-CB 3.87Å; L132-Q182 HydrophobicContact CD1-CG 3.87Å; L132-Q182 HydrophobicContact CD2-CB 3.97Å; L132-Q182 HydrophobicContact CG-CB 4.13Å; A180-Q182 PolarHBondContact O-N 3.4Å; Q182-K184 HydrophobicContact CG-CB 4.17Å; Q182-K184 HydrophobicContact CG-CG 4.38Å; Q182-K184 PolarHBondContact O-N 2.8Å; Q182-K184 VanDerWaalsContact O-N 3.14Å; Q182-F185 HydrophobicContact CB-CD2 3.81Å; Q182-F185 HydrophobicContact CB-CE2 4.39Å; Q182-F185 HydrophobicContact CG-CD2 4.46Å; Q182-F185 PolarHBondContact O-N 2.89Å
183E62.5Low79.3Confident111 Ų11146.5 Ų46.552%0.51924%0.242SC..G310 helixtrans-54.1-35.2177.764-68.7151.500112.9F185 K186E183-F185 PolarHBondContact O-N 2.85Å; E183-F185 VanDerWaalsContact O-N 3.16Å; E183-K186 HydrophobicContact CB-CD 4.25Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.25Å; E183-K186 VanDerWaalsContact O-N 3.12Å
184K61Low79.1Confident159 Ų15954 Ų5469%0.69127%0.267SS*.G310 helixtrans-63.6-19.1177.9-60.7-179-175.9177.80114Q182Q182-K184 HydrophobicContact CG-CB 4.17Å; Q182-K184 HydrophobicContact CG-CG 4.38Å; Q182-K184 PolarHBondContact O-N 2.8Å; Q182-K184 VanDerWaalsContact O-N 3.14Å
185F63.5Low78.9Confident66 Ų6655.8 Ų55.829%0.28929%0.286SS..G310 helixtrans-106.93.2178-60.5-53.8000113.4A180 Q182 E183 C187 I188 A189A180-F185 HydrophobicContact CB-CB 4.21Å; A180-F185 HydrophobicContact CB-CD2 4.16Å; Q182-F185 HydrophobicContact CB-CD2 3.81Å; Q182-F185 HydrophobicContact CB-CE2 4.39Å; Q182-F185 HydrophobicContact CG-CD2 4.46Å; Q182-F185 PolarHBondContact O-N 2.89Å; E183-F185 PolarHBondContact O-N 2.85Å; E183-F185 VanDerWaalsContact O-N 3.16Å; F185-C187 VanDerWaalsContact C-N 3.3Å; F185-C187 PolarHBondContact O-N 3.35Å; F185-I188 HydrophobicContact CD1-CD1 4.03Å; F185-I188 WeakPolarHBondContact O-CA 3.41Å; F185-I188 WeakPolarHBondContact O-CB 3.44Å; F185-I188 PolarHBondContact O-N 3.03Å; F185-A189 PolarHBondContact O-N 3.39Å
186K62.8Low78.9Confident58 Ų5854 Ų5425%0.25228%0.278SS..Hα-helixtrans-54.7-41.5179.4-79.7178.4175.9-165.50113.2E183 I188 A189 S190 W217E183-K186 HydrophobicContact CB-CD 4.25Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.25Å; E183-K186 VanDerWaalsContact O-N 3.12Å; K186-I188 PolarHBondContact O-N 2.6Å; K186-A189 PolarHBondContact O-N 3.45Å; K186-A189 VanDerWaalsContact O-N 3.15Å; K186-S190 PolarHBondContact O-N 2.97Å; K186-W217 HydrophobicContact CD-CH2 4.09Å; K186-W217 HydrophobicContact CD-CZ3 4.28Å; K186-W217 HydrophobicContact CG-CH2 3.71Å; K186-W217 HydrophobicContact CG-CZ3 3.84Å
187C62.1Low78.9Confident115 Ų11556.5 Ų56.578%0.77729%0.29SS*.Hα-helixtrans-66-25.3176.8-61.50000113.5F185 S190F185-C187 VanDerWaalsContact C-N 3.3Å; F185-C187 PolarHBondContact O-N 3.35Å; C187-S190 PolarHBondContact O-OG 3.34Å
188I66Low79.1Confident92 Ų9254.9 Ų54.947%0.47228%0.284SS..Hα-helixtrans-81.6-36.4174.5-58.9-179.9000109.5F185 K186 Y192F185-I188 HydrophobicContact CD1-CD1 4.03Å; F185-I188 WeakPolarHBondContact O-CA 3.41Å; F185-I188 WeakPolarHBondContact O-CB 3.44Å; F185-I188 PolarHBondContact O-N 3.03Å; K186-I188 PolarHBondContact O-N 2.6Å; I188-Y192 HydrophobicContact CG2-CE2 4.22Å; I188-Y192 WeakPolarHBondContact O-CD2 3.38Å; I188-Y192 WeakPolarHBondContact O-CE2 3.38Å
189A69.6Low79.3Confident2 Ų254.5 Ų54.52%0.01728%0.282CS..Hα-helixtrans-69.2-32.8-17900000113.4F185 K186 A191 Y192 Y193F185-A189 PolarHBondContact O-N 3.39Å; K186-A189 PolarHBondContact O-N 3.45Å; K186-A189 VanDerWaalsContact O-N 3.15Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.13Å; A189-Y192 WeakPolarHBondContact O-CA 3.48Å; A189-Y192 WeakPolarHBondContact O-CB 3.16Å; A189-Y192 PolarHBondContact O-N 2.95Å; A189-Y193 HydrophobicContact CB-CE1 3.96Å; A189-Y193 WeakPolarHBondContact CB-OH 3.48Å; A189-Y193 WeakPolarHBondContact O-CD1 3.4Å; A189-Y193 WeakPolarHBondContact O-CE1 3.43Å
190S74.4Confident79.8Confident35 Ų3554.4 Ų54.425%0.24528%0.282CS..G310 helixtrans-56.8-41.3-175.561.50000113.8K186 C187 Y192 Y193K186-S190 PolarHBondContact O-N 2.97Å; C187-S190 PolarHBondContact O-OG 3.34Å; S190-Y192 PolarHBondContact O-N 3.33Å; S190-Y192 VanDerWaalsContact O-N 3.08Å; S190-Y193 WeakPolarHBondContact O-CB 3.36Å; S190-Y193 PolarHBondContact O-N 3.32Å
191A80.4Confident80.6Confident73 Ų7354.3 Ų54.360%0.60328%0.281SS*.G310 helixtrans-59.1-25.2176.300000113.1A189A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.13Å
192Y86.9Confident82Confident91 Ų9154.1 Ų54.136%0.35728%0.279SS..G310 helixtrans-87.7-7.4178.6-59.6-84.1000113.3K125 V158 W177 I188 A189 S190K125-Y192 WeakPolarHBondContact CE-O 3.45Å; K125-Y192 PolarHBondContact NZ-O 3.31Å; V158-Y192 HydrophobicContact CB-CD1 4.4Å; V158-Y192 HydrophobicContact CB-CD2 4.19Å; V158-Y192 HydrophobicContact CB-CE1 4.48Å; V158-Y192 HydrophobicContact CB-CE2 4.28Å; V158-Y192 HydrophobicContact CB-CG 4.24Å; V158-Y192 HydrophobicContact CG1-CD1 4.12Å; V158-Y192 HydrophobicContact CG1-CD2 4.45Å; V158-Y192 HydrophobicContact CG1-CG 4.03Å; V158-Y192 HydrophobicContact CG2-CD2 3.54Å; V158-Y192 HydrophobicContact CG2-CE2 3.82Å; V158-Y192 HydrophobicContact CG2-CG 3.94Å; W177-Y192 AromaticContact CE3-CD1 3.98Å; W177-Y192 HydrophobicContact CE3-CD1 3.98Å; W177-Y192 HydrophobicContact CH2-CD1 4.13Å; W177-Y192 AromaticContact CZ3-CD1 3.42Å; W177-Y192 HydrophobicContact CZ3-CD1 3.42Å; W177-Y192 VanDerWaalsContact CZ3-CD1 3.42Å; W177-Y192 AromaticContact CZ3-CE1 3.95Å; W177-Y192 HydrophobicContact CZ3-CE1 3.95Å; W177-Y192 HydrophobicContact CZ3-CG 4.4Å; I188-Y192 HydrophobicContact CG2-CE2 4.22Å; I188-Y192 WeakPolarHBondContact O-CD2 3.38Å; I188-Y192 WeakPolarHBondContact O-CE2 3.38Å; A189-Y192 WeakPolarHBondContact O-CA 3.48Å; A189-Y192 WeakPolarHBondContact O-CB 3.16Å; A189-Y192 PolarHBondContact O-N 2.95Å; S190-Y192 PolarHBondContact O-N 3.33Å; S190-Y192 VanDerWaalsContact O-N 3.08Å
193Y90.8Very high83.3Confident5 Ų551.5 Ų51.52%0.0227%0.267CS..THydrogen-bonded Turntrans-79-28.6177.6-58.4-17.3000112.7V127 V129 T179 A189 S190 G195 A196 A221 E224 N225V127-Y193 HydrophobicContact CG1-CD1 3.71Å; V127-Y193 HydrophobicContact CG1-CE1 4.09Å; V129-Y193 HydrophobicContact CG1-CD1 4.43Å; V129-Y193 HydrophobicContact CG1-CE1 3.69Å; T179-Y193 HydrophobicContact CG2-CE1 4.05Å; A189-Y193 HydrophobicContact CB-CE1 3.96Å; A189-Y193 WeakPolarHBondContact CB-OH 3.48Å; A189-Y193 WeakPolarHBondContact O-CD1 3.4Å; A189-Y193 WeakPolarHBondContact O-CE1 3.43Å; S190-Y193 WeakPolarHBondContact O-CB 3.36Å; S190-Y193 PolarHBondContact O-N 3.32Å; Y193-G195 PolarHBondContact O-N 2.77Å; Y193-A196 WeakPolarHBondContact O-CB 3.38Å; Y193-A196 PolarHBondContact O-N 3.28Å; Y193-A221 VanDerWaalsContact CD2-CA 3.5Å; Y193-A221 HydrophobicContact CD2-CB 4.1Å; Y193-A221 HydrophobicContact CE2-CB 4.39Å; Y193-A221 HydrophobicContact CG-CB 4.35Å; Y193-E224 HydrophobicContact CD2-CG 4.19Å; Y193-N225 PolarHBondContact O-ND2 2.9Å; Y193-N225 PolarHBondContact O-OD1 2.96Å
194R92.2Very high85Confident178 Ų17846.8 Ų46.867%0.67225%0.245SC*.THydrogen-bonded Turntrans-56.7133.9-175.2-173.3179.5176.789.81.6112.6K125 A196 E224K125-R194 PolarHBondContact NZ-O 3.27Å; R194-A196 VanDerWaalsContact C-N 3.34Å; R194-E224 WeakPolarHBondContact CA-O 3.32Å
195G93.3Very high86.7Confident39 Ų3939.3 Ų39.340%0.40221%0.212SC..THydrogen-bonded Turntrans75.720.4176.900000113.8Y193 Q197 N225Y193-G195 PolarHBondContact O-N 2.77Å; G195-Q197 PolarHBondContact O-NE2 2.84Å; G195-N225 WeakPolarHBondContact CA-OD1 3.49Å; G195-N225 PolarHBondContact N-OD1 2.74Å
196A96.8Very high88.3Confident3 Ų339.4 Ų39.43%0.02522%0.219CC..  trans-66.6133172.100000109.9V127 Y193 R194 I199 N225 C230V127-A196 HydrophobicContact CB-CB 4.45Å; V127-A196 HydrophobicContact CG2-CB 3.78Å; Y193-A196 WeakPolarHBondContact O-CB 3.38Å; Y193-A196 PolarHBondContact O-N 3.28Å; R194-A196 VanDerWaalsContact C-N 3.34Å; A196-I199 HydrophobicContact CB-CG1 4.14Å; A196-N225 PolarHBondContact N-OD1 3.14Å; A196-C230 PolarHBondContact O-SG 3.13Å
197Q97.4Very high89.9Confident53 Ų5339.7 Ų39.725%0.24822%0.223CC..SBendtrans-92.8-19.8166.3-66.982.324.300111.4K125 G195 C230 F231K125-Q197 PolarHBondContact O-N 2.98Å; K125-Q197 PolarHBondContact O-OE1 3.24Å; G195-Q197 PolarHBondContact O-NE2 2.84Å; Q197-C230 WeakPolarHBondContact O-CA 3.49Å; Q197-F231 PolarHBondContact O-N 2.85Å
198V98.3Very high91.3Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-137.4132.2177.3-172.90000109.4K125 V126 V127 I200 F231 F233 V283 A287K125-V198 PolarHBondContact O-N 2.88Å; V126-V198 WeakPolarHBondContact CA-O 3.14Å; V126-V198 HydrophobicContact CB-CB 4.34Å; V126-V198 HydrophobicContact CG1-CB 4.09Å; V126-V198 HydrophobicContact CG1-CG1 4.2Å; V126-V198 HydrophobicContact CG2-CB 4.03Å; V126-V198 HydrophobicContact CG2-CG2 4.23Å; V127-V198 PolarHBondContact N-O 3.14Å; V198-I200 HydrophobicContact CG1-CG1 4.15Å; V198-F231 CarbonylContact C-O 3.56Å; V198-F231 WeakPolarHBondContact CA-O 3.42Å; V198-F231 HydrophobicContact CG1-CB 4.41Å; V198-F231 HydrophobicContact CG2-CB 4.32Å; V198-F231 HydrophobicContact CG2-CD2 4.44Å; V198-F233 HydrophobicContact CG1-CD2 3.59Å; V198-F233 HydrophobicContact CG1-CE2 3.71Å; V198-V283 HydrophobicContact CB-CG1 4.4Å; V198-V283 HydrophobicContact CG1-CG1 3.98Å; V198-V283 HydrophobicContact CG2-CG1 4.1Å; V198-A287 HydrophobicContact CG2-CB 4.09Å
199I98.2Very high92.7Very high1 Ų138.5 Ų38.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-114.1124.2171.5-61.5169.3000107.6V129 A196 L218 A221 L222 C230 F231 I232 F233V129-I199 HydrophobicContact CG2-CG2 4.25Å; A196-I199 HydrophobicContact CB-CG1 4.14Å; I199-L218 HydrophobicContact CB-CD1 4.48Å; I199-L218 HydrophobicContact CG2-CD1 3.91Å; I199-A221 HydrophobicContact CD1-CB 3.92Å; I199-A221 HydrophobicContact CG1-CB 4.45Å; I199-A221 HydrophobicContact CG2-CB 3.99Å; I199-L222 HydrophobicContact CD1-CD2 3.74Å; I199-L222 HydrophobicContact CD1-CG 4.18Å; I199-C230 HydrophobicContact CD1-CB 3.95Å; I199-C230 HydrophobicContact CG1-CB 4.15Å; I199-F231 PolarHBondContact N-O 3.37Å; I199-I232 WeakPolarHBondContact O-CA 3.39Å; I199-F233 PolarHBondContact O-N 3.17Å
200I98.6Very high94.1Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-111.3115.1175.4-59.9172.6000107.3V126 V127 V128 V129 V198 F233 V235 F279 F280V126-I200 HydrophobicContact CG1-CD1 3.43Å; V126-I200 VanDerWaalsContact CG1-CD1 3.43Å; V126-I200 HydrophobicContact CG1-CG1 3.98Å; V127-I200 PolarHBondContact O-N 3.09Å; V128-I200 CarbonylContact C-O 3.59Å; V128-I200 WeakPolarHBondContact CA-O 3.46Å; V128-I200 HydrophobicContact CG1-CB 4.33Å; V128-I200 HydrophobicContact CG1-CG2 4.18Å; V128-I200 HydrophobicContact CG2-CB 4.26Å; V128-I200 HydrophobicContact CG2-CD1 4.19Å; V129-I200 PolarHBondContact N-O 2.97Å; V198-I200 HydrophobicContact CG1-CG1 4.15Å; I200-F233 HydrophobicContact CG1-CB 4.29Å; I200-V235 HydrophobicContact CG2-CB 4.2Å; I200-V235 HydrophobicContact CG2-CG2 3.55Å; I200-F279 HydrophobicContact CD1-CE1 3.85Å; I200-F279 HydrophobicContact CD1-CZ 3.63Å; I200-F279 HydrophobicContact CG1-CZ 3.97Å; I200-F279 HydrophobicContact CG2-CE1 4.43Å; I200-F279 HydrophobicContact CG2-CZ 3.99Å; I200-F280 HydrophobicContact CD1-CE1 4.09Å
201T97.8Very high95.2Very high0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-100.1117.1172-47.90000109.2V129 T214 W217 F233 L234 V235V129-T201 HydrophobicContact CG2-CG2 4.18Å; V129-T201 WeakPolarHBondContact O-CA 3.4Å; T201-T214 HydrophobicContact CG2-CG2 3.63Å; T201-W217 HydrophobicContact CG2-CB 3.91Å; T201-F233 PolarHBondContact N-O 2.94Å; T201-L234 WeakPolarHBondContact O-CA 3.32Å; T201-V235 PolarHBondContact O-N 2.99Å
202A98.1Very high95.9Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-103.9141.1-176.800000111.6V129 V134 K136 V235 T237V129-A202 PolarHBondContact O-N 2.94Å; V134-A202 HydrophobicContact CG2-CB 4.14Å; K136-A202 HydrophobicContact CG-CB 4.01Å; A202-V235 WeakPolarHBondContact CA-O 3.24Å; A202-T237 HydrophobicContact CB-CG2 4.19Å
203F98.4Very high96.3Very high1 Ų139 Ų390%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-134.5165.1171.974.7-82.1000110.6L205 T210 L211 T214 L234 V235 G236 T237 V250 A254 Y265F203-L205 HydrophobicContact CE2-CD2 3.79Å; F203-L205 HydrophobicContact CE2-CG 4.3Å; F203-L205 HydrophobicContact CZ-CD2 3.8Å; F203-T210 WeakPolarHBondContact CB-O 3.4Å; F203-L211 HydrophobicContact CD1-CD1 3.7Å; F203-L211 HydrophobicContact CD2-CB 3.77Å; F203-L211 HydrophobicContact CD2-CD1 3.88Å; F203-L211 HydrophobicContact CD2-CG 4.36Å; F203-L211 HydrophobicContact CE1-CD1 3.6Å; F203-L211 HydrophobicContact CE2-CB 4.15Å; F203-L211 HydrophobicContact CE2-CD1 3.79Å; F203-L211 HydrophobicContact CE2-CD2 4.43Å; F203-L211 HydrophobicContact CE2-CG 4.35Å; F203-L211 HydrophobicContact CG-CB 4.16Å; F203-L211 HydrophobicContact CG-CD1 3.85Å; F203-L211 HydrophobicContact CZ-CD1 3.66Å; F203-T214 HydrophobicContact CB-CG2 3.79Å; F203-T214 HydrophobicContact CD1-CG2 4.39Å; F203-T214 HydrophobicContact CG-CG2 4.44Å; F203-L234 HydrophobicContact CD1-CD1 3.78Å; F203-L234 HydrophobicContact CD1-CG 4.17Å; F203-L234 HydrophobicContact CE1-CD1 4.06Å; F203-L234 HydrophobicContact CE1-CD2 4.31Å; F203-L234 HydrophobicContact CE1-CG 3.93Å; F203-V235 VanDerWaalsContact CD1-O 3.31Å; F203-V235 WeakPolarHBondContact CD1-O 3.44Å; F203-V235 PolarHBondContact N-O 3.4Å; F203-G236 VanDerWaalsContact CE1-N 3.32Å; F203-G236 VanDerWaalsContact CZ-CA 3.45Å; F203-T237 WeakPolarHBondContact O-CB 3.48Å; F203-T237 PolarHBondContact O-N 3.24Å; F203-T237 PolarHBondContact O-OG1 3.01Å; F203-V250 HydrophobicContact CE2-CG1 4.32Å; F203-A254 HydrophobicContact CE1-CB 4.09Å; F203-A254 HydrophobicContact CZ-CB 3.58Å; F203-Y265 AromaticContact CE1-CE2 3.87Å; F203-Y265 HydrophobicContact CE1-CE2 3.87Å; F203-Y265 AromaticContact CZ-CE2 3.95Å; F203-Y265 HydrophobicContact CZ-CE2 3.95Å
204D97.8Very high96.5Very high12 Ų1238.8 Ų38.86%0.06420%0.197CC..EExtended strand (participates in β ladder)trans-91.7121.7175.3-175.1-15.9000109.5V134 T206 D207 T210 K238V134-D204 HydrophobicContact CB-CB 4.46Å; V134-D204 HydrophobicContact CG1-CB 4.32Å; D204-T206 PolarHBondContact O-N 3.21Å; D204-T206 VanDerWaalsContact O-N 3.09Å; D204-T206 WeakPolarHBondContact OD1-CB 3.41Å; D204-T206 PolarHBondContact OD1-N 2.73Å; D204-T206 PolarHBondContact OD1-OG1 3.16Å; D204-T206 PolarHBondContact OD2-OG1 2.72Å; D204-D207 HydrophobicContact CB-CB 4.24Å; D204-D207 CarbonylContact O-C 3.43Å; D204-D207 PolarHBondContact O-N 3.13Å; D204-T210 PolarHBondContact N-OG1 3.17Å; D204-T210 PolarHBondContact O-OG1 3.23Å; D204-K238 VanDerWaalsContact OD2-CD 3.31Å; D204-K238 WeakPolarHBondContact OD2-CD 3.31Å; D204-K238 WeakPolarHBondContact OD2-CE 3.5Å; D204-K238 IonicContact OD2-NZ 2.82Å; D204-K238 PolarHBondContact OD2-NZ 2.69Å
205L97.6Very high96.7Very high2 Ų235.2 Ų35.21%0.0118%0.183CC..THydrogen-bonded Turntrans-59.2-24.1178.4-75164.3000112.8F203 D207 T237 K239 L242 V250 E251 S267F203-L205 HydrophobicContact CE2-CD2 3.79Å; F203-L205 HydrophobicContact CE2-CG 4.3Å; F203-L205 HydrophobicContact CZ-CD2 3.8Å; L205-D207 VanDerWaalsContact C-N 3.35Å; L205-T237 VanDerWaalsContact CB-O 3.32Å; L205-T237 WeakPolarHBondContact CB-O 3.41Å; L205-T237 WeakPolarHBondContact CD1-O 3.43Å; L205-T237 VanDerWaalsContact CG-O 3.29Å; L205-T237 WeakPolarHBondContact CG-O 3.32Å; L205-T237 PolarHBondContact N-O 2.88Å; L205-K239 HydrophobicContact CD1-CB 3.76Å; L205-K239 HydrophobicContact CD1-CG 4.13Å; L205-L242 HydrophobicContact CB-CD1 4Å; L205-L242 VanDerWaalsContact O-CD1 3.24Å; L205-L242 WeakPolarHBondContact O-CD1 3.36Å; L205-V250 HydrophobicContact CD2-CG1 3.81Å; L205-E251 HydrophobicContact CD2-CG 4.48Å; L205-S267 VanDerWaalsContact CD1-OG 3.31Å; L205-S267 WeakPolarHBondContact CD1-OG 3.3Å
206T96.5Very high96.7Very high68 Ų6837.4 Ų37.442%0.41718%0.183SC..THydrogen-bonded Turntrans-83.9-7.2178.966.40000114.2D204 L241 L242D204-T206 PolarHBondContact O-N 3.21Å; D204-T206 VanDerWaalsContact O-N 3.09Å; D204-T206 WeakPolarHBondContact OD1-CB 3.41Å; D204-T206 PolarHBondContact OD1-N 2.73Å; D204-T206 PolarHBondContact OD1-OG1 3.16Å; D204-T206 PolarHBondContact OD2-OG1 2.72Å; T206-L241 HydrophobicContact CG2-CB 3.51Å; T206-L241 HydrophobicContact CG2-CD1 3.99Å; T206-L241 HydrophobicContact CG2-CG 4.39Å; T206-L242 HydrophobicContact CG2-CD2 4.26Å; T206-L242 HydrophobicContact CG2-CG 4.07Å
207D96.2Very high96.6Very high64 Ų6437.4 Ų37.434%0.34218%0.182SC..  trans-134.9101.2-175.9-173.8-8.9000111.6D204 L205 Q209 T210D204-D207 HydrophobicContact CB-CB 4.24Å; D204-D207 CarbonylContact O-C 3.43Å; D204-D207 PolarHBondContact O-N 3.13Å; L205-D207 VanDerWaalsContact C-N 3.35Å; D207-Q209 PolarHBondContact O-N 2.82Å; D207-Q209 WeakPolarHBondContact OD1-CB 3.34Å; D207-Q209 PolarHBondContact OD1-N 3.36Å; D207-T210 HydrophobicContact CB-CG2 4.02Å; D207-T210 PolarHBondContact O-N 3.25Å; D207-T210 VanDerWaalsContact O-N 3.14Å; D207-T210 PolarHBondContact O-OG1 3.01Å
208V92.5Very high96.5Very high63 Ų6335.3 Ų35.338%0.38217%0.173SC..Hα-helixtrans-63.9-25.7-176.890.90000113.1T210 L211 E212V208-T210 PolarHBondContact O-N 3.47Å; V208-L211 HydrophobicContact CG2-CD2 4.5Å; V208-L211 VanDerWaalsContact O-CB 3.27Å; V208-L211 WeakPolarHBondContact O-CB 3.24Å; V208-L211 PolarHBondContact O-N 3.14Å; V208-E212 PolarHBondContact O-N 2.89Å
209Q95.8Very high96.3Very high118 Ų11840.3 Ų40.355%0.55120%0.196SC*.Hα-helixtrans-64.3-36.8177.9-64-170.8-21.900110.7D207 L211 E212 H213D207-Q209 PolarHBondContact O-N 2.82Å; D207-Q209 WeakPolarHBondContact OD1-CB 3.34Å; D207-Q209 PolarHBondContact OD1-N 3.36Å; Q209-L211 PolarHBondContact O-N 2.6Å; Q209-E212 PolarHBondContact O-N 3.06Å; Q209-H213 VanDerWaalsContact O-CG 3.27Å; Q209-H213 PolarHBondContact O-N 3.31Å; Q209-H213 VanDerWaalsContact O-N 3.11Å; Q209-H213 PolarHBondContact O-ND1 3.19Å
210T97.3Very high96Very high9 Ų941.5 Ų41.56%0.05520%0.203CC..Hα-helixtrans-66.2-26.5177.370.40000112.2D131 V134 F203 D204 D207 V208 T214D131-T210 HydrophobicContact CB-CG2 4.32Å; V134-T210 HydrophobicContact CG1-CG2 3.87Å; F203-T210 WeakPolarHBondContact CB-O 3.4Å; D204-T210 PolarHBondContact N-OG1 3.17Å; D204-T210 PolarHBondContact O-OG1 3.23Å; D207-T210 HydrophobicContact CB-CG2 4.02Å; D207-T210 PolarHBondContact O-N 3.25Å; D207-T210 VanDerWaalsContact O-N 3.14Å; D207-T210 PolarHBondContact O-OG1 3.01Å; V208-T210 PolarHBondContact O-N 3.47Å; T210-T214 VanDerWaalsContact O-CG2 3.24Å; T210-T214 WeakPolarHBondContact O-CG2 3.49Å
211L97.6Very high95.8Very high3 Ų341.5 Ų41.52%0.01620%0.203CC..Hα-helixtrans-69.2-47.2172.9-179.462.1000110.7F203 V208 Q209 H213 T214 L234 E253 A254 L257F203-L211 HydrophobicContact CD1-CD1 3.7Å; F203-L211 HydrophobicContact CD2-CB 3.77Å; F203-L211 HydrophobicContact CD2-CD1 3.88Å; F203-L211 HydrophobicContact CD2-CG 4.36Å; F203-L211 HydrophobicContact CE1-CD1 3.6Å; F203-L211 HydrophobicContact CE2-CB 4.15Å; F203-L211 HydrophobicContact CE2-CD1 3.79Å; F203-L211 HydrophobicContact CE2-CD2 4.43Å; F203-L211 HydrophobicContact CE2-CG 4.35Å; F203-L211 HydrophobicContact CG-CB 4.16Å; F203-L211 HydrophobicContact CG-CD1 3.85Å; F203-L211 HydrophobicContact CZ-CD1 3.66Å; V208-L211 HydrophobicContact CG2-CD2 4.5Å; V208-L211 VanDerWaalsContact O-CB 3.27Å; V208-L211 WeakPolarHBondContact O-CB 3.24Å; V208-L211 PolarHBondContact O-N 3.14Å; Q209-L211 PolarHBondContact O-N 2.6Å; L211-H213 VanDerWaalsContact C-N 3.32Å; L211-H213 PolarHBondContact O-N 3.38Å; L211-T214 WeakPolarHBondContact O-CB 3.41Å; L211-T214 WeakPolarHBondContact O-CG2 3.36Å; L211-T214 PolarHBondContact O-N 2.89Å; L211-T214 VanDerWaalsContact O-N 3.13Å; L211-T214 PolarHBondContact O-OG1 2.91Å; L211-L234 HydrophobicContact CD1-CD1 4.38Å; L211-L234 HydrophobicContact CD1-CD2 4Å; L211-E253 HydrophobicContact CD2-CG 4.09Å; L211-A254 HydrophobicContact CD1-CB 4.07Å; L211-A254 HydrophobicContact CD2-CB 4.26Å; L211-L257 HydrophobicContact CD1-CD2 3.52Å; L211-L257 HydrophobicContact CG-CD2 3.67Å; L211-L257 WeakPolarHBondContact O-CD2 3.33Å
212E95.7Very high95.6Very high118 Ų11844.3 Ų44.355%0.55122%0.217SC*.Hα-helixtrans-60.3-41.6179.2-65.7177.4173.800112V208 Q209 T214V208-E212 PolarHBondContact O-N 2.89Å; Q209-E212 PolarHBondContact O-N 3.06Å; E212-T214 PolarHBondContact O-N 2.8Å
213H95.3Very high95.4Very high83 Ų8351.9 Ų51.938%0.38425%0.246SC..THydrogen-bonded Turntrans-65.2-17.9179.1-61.9160.6000113.9D131 Q209 L211 R215 Q216 W217D131-H213 IonicContact OD1-ND1 3.14Å; D131-H213 IonicContact OD2-CE1 2.68Å; D131-H213 IonicContact OD2-CG 3.31Å; D131-H213 IonicContact OD2-ND1 3.28Å; D131-H213 PolarHBondContact OD2-ND1 2.99Å; Q209-H213 VanDerWaalsContact O-CG 3.27Å; Q209-H213 PolarHBondContact O-N 3.31Å; Q209-H213 VanDerWaalsContact O-N 3.11Å; Q209-H213 PolarHBondContact O-ND1 3.19Å; L211-H213 VanDerWaalsContact C-N 3.32Å; L211-H213 PolarHBondContact O-N 3.38Å; H213-R215 PolarHBondContact O-N 2.61Å; H213-Q216 PolarHBondContact O-N 2.73Å; H213-Q216 VanDerWaalsContact O-N 3.16Å; H213-W217 VanDerWaalsContact O-CD1 3.28Å; H213-W217 PolarHBondContact O-N 3.31Å
214T96.3Very high95.2Very high0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-60.5-29.4-178.763.50000113.5T201 F203 T210 L211 E212 W217 L218 L234T201-T214 HydrophobicContact CG2-CG2 3.63Å; F203-T214 HydrophobicContact CB-CG2 3.79Å; F203-T214 HydrophobicContact CD1-CG2 4.39Å; F203-T214 HydrophobicContact CG-CG2 4.44Å; T210-T214 VanDerWaalsContact O-CG2 3.24Å; T210-T214 WeakPolarHBondContact O-CG2 3.49Å; L211-T214 WeakPolarHBondContact O-CB 3.41Å; L211-T214 WeakPolarHBondContact O-CG2 3.36Å; L211-T214 PolarHBondContact O-N 2.89Å; L211-T214 VanDerWaalsContact O-N 3.13Å; L211-T214 PolarHBondContact O-OG1 2.91Å; E212-T214 PolarHBondContact O-N 2.8Å; T214-W217 PolarHBondContact O-N 3.12Å; T214-L218 WeakPolarHBondContact O-CB 3.34Å; T214-L218 PolarHBondContact O-N 2.88Å; T214-L234 HydrophobicContact CG2-CD1 3.73Å
215R95.9Very high95Very high102 Ų10255.4 Ų55.439%0.38526%0.263SS..Hα-helixtrans-60-50.6174.6-68.2-171.4-161.7-100.97.2111.5H213 W217 L218 E219 L257 E260 M261H213-R215 PolarHBondContact O-N 2.61Å; R215-W217 VanDerWaalsContact C-N 3.31Å; R215-W217 PolarHBondContact O-N 2.87Å; R215-L218 PolarHBondContact O-N 2.81Å; R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 3.4Å; R215-L257 HydrophobicContact CG-CD1 3.94Å; R215-L257 VanDerWaalsContact NE-CD1 3.28Å; R215-E260 IonicContact CZ-OE2 3.11Å; R215-E260 IonicContact NH1-OE2 2.73Å; R215-E260 PolarHBondContact NH1-OE2 2.86Å; R215-E260 IonicContact NH2-OE2 2.61Å; R215-E260 PolarHBondContact NH2-OE2 2.86Å; R215-M261 HydrophobicContact CG-CG 4.47Å; R215-M261 HydrophobicContact CG-SD 4.31Å
216Q93.7Very high94.8Very high85 Ų8563 Ų6340%0.39730%0.298SS..Hα-helixtrans-63.1-40.6-179-173.161.665.900111.4H213 L218 E219 D220H213-Q216 PolarHBondContact O-N 2.73Å; H213-Q216 VanDerWaalsContact O-N 3.16Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.29Å; Q216-E219 PolarHBondContact O-N 2.64Å; Q216-D220 PolarHBondContact NE2-OD1 3.42Å; Q216-D220 WeakPolarHBondContact O-CB 3.25Å; Q216-D220 VanDerWaalsContact O-CG 3.32Å; Q216-D220 PolarHBondContact O-N 2.9Å
217W94.1Very high94.6Very high3 Ų364.9 Ų64.91%0.01132%0.321CS..Hα-helixtrans-61.9-41.8175.7-78.5112.7000112.7V129 D131 K186 T201 H213 T214 R215 A221V129-W217 HydrophobicContact CB-CB 4.39Å; V129-W217 HydrophobicContact CB-CE3 4.07Å; V129-W217 HydrophobicContact CG2-CB 4.05Å; D131-W217 PolarHBondContact OD1-NE1 3.3Å; K186-W217 HydrophobicContact CD-CH2 4.09Å; K186-W217 HydrophobicContact CD-CZ3 4.28Å; K186-W217 HydrophobicContact CG-CH2 3.71Å; K186-W217 HydrophobicContact CG-CZ3 3.84Å; T201-W217 HydrophobicContact CG2-CB 3.91Å; H213-W217 VanDerWaalsContact O-CD1 3.28Å; H213-W217 PolarHBondContact O-N 3.31Å; T214-W217 PolarHBondContact O-N 3.12Å; R215-W217 VanDerWaalsContact C-N 3.31Å; R215-W217 PolarHBondContact O-N 2.87Å; W217-A221 WeakPolarHBondContact O-CB 3.47Å; W217-A221 PolarHBondContact O-N 3.49Å; W217-A221 VanDerWaalsContact O-N 3.12Å
218L95.5Very high94.2Very high9 Ų965.9 Ų65.95%0.04735%0.346CS..Hα-helixtrans-65.6-46.8176.3177.560.9000111.3I199 T214 R215 Q216 D220 A221 L222 I232 M261I199-L218 HydrophobicContact CB-CD1 4.48Å; I199-L218 HydrophobicContact CG2-CD1 3.91Å; T214-L218 WeakPolarHBondContact O-CB 3.34Å; T214-L218 PolarHBondContact O-N 2.88Å; R215-L218 PolarHBondContact O-N 2.81Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.29Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 3.17Å; L218-A221 PolarHBondContact O-N 3.19Å; L218-L222 HydrophobicContact CD1-CD1 3.82Å; L218-L222 HydrophobicContact CD1-CD2 4.47Å; L218-L222 HydrophobicContact CD1-CG 3.84Å; L218-L222 HydrophobicContact CD2-CD1 4.28Å; L218-L222 HydrophobicContact CG-CD1 3.72Å; L218-L222 HydrophobicContact CG-CG 4.19Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.29Å; L218-L222 PolarHBondContact O-N 3.24Å; L218-I232 HydrophobicContact CD1-CD1 4.22Å; L218-I232 HydrophobicContact CD1-CG1 4.26Å; L218-I232 HydrophobicContact CD1-CG2 3.58Å; L218-I232 HydrophobicContact CD2-CD1 4.32Å; L218-I232 HydrophobicContact CD2-CG2 3.77Å; L218-I232 HydrophobicContact CG-CG2 4.34Å; L218-M261 HydrophobicContact CB-CE 3.82Å; L218-M261 HydrophobicContact CD2-CB 3.86Å; L218-M261 HydrophobicContact CD2-CE 3.41Å; L218-M261 VanDerWaalsContact CD2-CE 3.41Å; L218-M261 HydrophobicContact CD2-CG 4.14Å; L218-M261 HydrophobicContact CG-CE 4.22Å
219E94.4Very high94.1Very high105 Ų10565.1 Ų65.149%0.49134%0.343SS..Hα-helixtrans-58.2-45.1178.5-75.2175.7-166.500112.1R215 Q216 A221 L222 R223R215-E219 WeakPolarHBondContact O-CG 3.48Å; R215-E219 PolarHBondContact O-N 3.4Å; Q216-E219 PolarHBondContact O-N 2.64Å; E219-A221 VanDerWaalsContact C-N 3.32Å; E219-A221 PolarHBondContact O-N 3.41Å; E219-L222 PolarHBondContact O-N 3.41Å; E219-R223 PolarHBondContact O-N 3.02Å
220D91.9Very high94.2Very high27 Ų2760.3 Ų60.314%0.14432%0.323CS..Hα-helixtrans-63.9-37.8177.5-72.5-25000111.9Q216 L218 R223Q216-D220 PolarHBondContact NE2-OD1 3.42Å; Q216-D220 WeakPolarHBondContact O-CB 3.25Å; Q216-D220 VanDerWaalsContact O-CG 3.32Å; Q216-D220 PolarHBondContact O-N 2.9Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 3.17Å; D220-R223 IonicContact OD1-CZ 3.33Å; D220-R223 IonicContact OD1-NH1 2.89Å; D220-R223 PolarHBondContact OD1-NH1 3.5Å; D220-R223 IonicContact OD1-NH2 2.91Å; D220-R223 PolarHBondContact OD1-NH2 2.88Å
221A92.9Very high94.2Very high0 Ų062.6 Ų62.60%033%0.332CS..Hα-helixtrans-70.9-40.2176.200000112.9Y193 I199 W217 L218 E219 R223 E224 N225Y193-A221 VanDerWaalsContact CD2-CA 3.5Å; Y193-A221 HydrophobicContact CD2-CB 4.1Å; Y193-A221 HydrophobicContact CE2-CB 4.39Å; Y193-A221 HydrophobicContact CG-CB 4.35Å; I199-A221 HydrophobicContact CD1-CB 3.92Å; I199-A221 HydrophobicContact CG1-CB 4.45Å; I199-A221 HydrophobicContact CG2-CB 3.99Å; W217-A221 WeakPolarHBondContact O-CB 3.47Å; W217-A221 PolarHBondContact O-N 3.49Å; W217-A221 VanDerWaalsContact O-N 3.12Å; L218-A221 PolarHBondContact O-N 3.19Å; E219-A221 VanDerWaalsContact C-N 3.32Å; E219-A221 PolarHBondContact O-N 3.41Å; A221-R223 VanDerWaalsContact C-N 3.34Å; A221-E224 PolarHBondContact O-N 3.13Å; A221-N225 PolarHBondContact O-ND2 2.9Å
222L95.1Very high94.2Very high58 Ų5863.6 Ų63.630%0.30434%0.337SS..Hα-helixtrans-68.7-31.5178.9-74.8174.3000112.5I199 L218 E219 E224 N225 I232I199-L222 HydrophobicContact CD1-CD2 3.74Å; I199-L222 HydrophobicContact CD1-CG 4.18Å; L218-L222 HydrophobicContact CD1-CD1 3.82Å; L218-L222 HydrophobicContact CD1-CD2 4.47Å; L218-L222 HydrophobicContact CD1-CG 3.84Å; L218-L222 HydrophobicContact CD2-CD1 4.28Å; L218-L222 HydrophobicContact CG-CD1 3.72Å; L218-L222 HydrophobicContact CG-CG 4.19Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.29Å; L218-L222 PolarHBondContact O-N 3.24Å; E219-L222 PolarHBondContact O-N 3.41Å; L222-E224 PolarHBondContact O-N 3.48Å; L222-E224 VanDerWaalsContact O-N 3.08Å; L222-N225 PolarHBondContact O-N 3.4Å; L222-N225 VanDerWaalsContact O-O 3.07Å; L222-I232 HydrophobicContact CD1-CD1 4.25Å; L222-I232 HydrophobicContact CD2-CD1 4.33Å
223R93.9Very high94.3Very high160 Ų16058.1 Ų58.160%0.60431%0.311SS*.THydrogen-bonded Turntrans-56.2-26.8177.5-166.1-178.2-59.7125.17.6113.2E219 D220 A221E219-R223 PolarHBondContact O-N 3.02Å; D220-R223 IonicContact OD1-CZ 3.33Å; D220-R223 IonicContact OD1-NH1 2.89Å; D220-R223 PolarHBondContact OD1-NH1 3.5Å; D220-R223 IonicContact OD1-NH2 2.91Å; D220-R223 PolarHBondContact OD1-NH2 2.88Å; A221-R223 VanDerWaalsContact C-N 3.34Å
224E93.4Very high94.5Very high62 Ų6254.1 Ų54.129%0.2929%0.293SS..THydrogen-bonded Turntrans-94.42.6-178.2-57.2-60.915500113.5Y193 R194 A221 L222Y193-E224 HydrophobicContact CD2-CG 4.19Å; R194-E224 WeakPolarHBondContact CA-O 3.32Å; A221-E224 PolarHBondContact O-N 3.13Å; L222-E224 PolarHBondContact O-N 3.48Å; L222-E224 VanDerWaalsContact O-N 3.08Å
225N94.4Very high94.6Very high25 Ų2554.1 Ų54.113%0.13429%0.293CS..SBendtrans-129.3158.4-175.1-68.3-73.9000112Y193 G195 A196 A221 L222Y193-N225 PolarHBondContact O-ND2 2.9Å; Y193-N225 PolarHBondContact O-OD1 2.96Å; G195-N225 WeakPolarHBondContact CA-OD1 3.49Å; G195-N225 PolarHBondContact N-OD1 2.74Å; A196-N225 PolarHBondContact N-OD1 3.14Å; A221-N225 PolarHBondContact O-ND2 2.9Å; L222-N225 PolarHBondContact O-N 3.4Å; L222-N225 VanDerWaalsContact O-O 3.07Å
226E93.4Very high94.7Very high161 Ų16149.3 Ų49.375%0.75228%0.275SS*.  trans-68.3141.1176.8-68.5173.4-173.400110.3G228 S229E226-G228 PolarHBondContact O-N 3.47Å; E226-S229 PolarHBondContact N-OG 3.26Å; E226-S229 VanDerWaalsContact O-CB 3.25Å; E226-S229 WeakPolarHBondContact O-CB 3.24Å; E226-S229 PolarHBondContact O-N 2.99Å; E226-S229 VanDerWaalsContact O-N 3.09Å; E226-S229 PolarHBondContact O-OG 3.27Å
227A90.8Very high94.9Very high108 Ų10845.5 Ų45.589%0.89326%0.257SS*.THydrogen-bonded Turntrans-58.5130.9-179.500000111.1S229A227-S229 PolarHBondContact O-N 2.63Å
228G88.9Confident95.1Very high84 Ų8448 Ų4887%0.86627%0.268SS*.THydrogen-bonded Turntrans71.78-179.400000115.3E226E226-G228 PolarHBondContact O-N 3.47Å
229S90.9Very high95.2Very high47 Ų4749.1 Ų49.133%0.32927%0.273SS..  trans-85.4-16.1-178.468.40000114.6E226 A227E226-S229 PolarHBondContact N-OG 3.26Å; E226-S229 VanDerWaalsContact O-CB 3.25Å; E226-S229 WeakPolarHBondContact O-CB 3.24Å; E226-S229 PolarHBondContact O-N 2.99Å; E226-S229 VanDerWaalsContact O-N 3.09Å; E226-S229 PolarHBondContact O-OG 3.27Å; A227-S229 PolarHBondContact O-N 2.63Å
230C96.3Very high95.3Very high18 Ų1846.4 Ų46.412%0.12226%0.262CS..SBendtrans-109.2138.9-174.5-51.40000111.8A196 Q197 I199A196-C230 PolarHBondContact O-SG 3.13Å; Q197-C230 WeakPolarHBondContact O-CA 3.49Å; I199-C230 HydrophobicContact CD1-CB 3.95Å; I199-C230 HydrophobicContact CG1-CB 4.15Å
231F97.3Very high95.5Very high56 Ų5649.7 Ų49.725%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-74.7136.4157.6-65.7-78.5000109.5Q197 V198 I199 F233 L286 Q290Q197-F231 PolarHBondContact O-N 2.85Å; V198-F231 CarbonylContact C-O 3.56Å; V198-F231 WeakPolarHBondContact CA-O 3.42Å; V198-F231 HydrophobicContact CG1-CB 4.41Å; V198-F231 HydrophobicContact CG2-CB 4.32Å; V198-F231 HydrophobicContact CG2-CD2 4.44Å; I199-F231 PolarHBondContact N-O 3.37Å; F231-F233 HydrophobicContact CB-CE2 3.95Å; F231-L286 HydrophobicContact CD1-CB 4.47Å; F231-L286 HydrophobicContact CD2-CB 4.47Å; F231-L286 HydrophobicContact CE1-CB 4.32Å; F231-L286 HydrophobicContact CE1-CD2 4.27Å; F231-L286 HydrophobicContact CE2-CB 4.31Å; F231-L286 HydrophobicContact CZ-CB 4.24Å; F231-Q290 HydrophobicContact CE2-CB 3.72Å; F231-Q290 HydrophobicContact CE2-CG 4.11Å; F231-Q290 HydrophobicContact CZ-CB 4Å; F231-Q290 HydrophobicContact CZ-CG 4.41Å
232I98.1Very high95.5Very high25 Ų2551.7 Ų51.713%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-114.1131.2-176.1-52.7170.6000108.8I199 L218 L222 A263 E264I199-I232 WeakPolarHBondContact O-CA 3.39Å; L218-I232 HydrophobicContact CD1-CD1 4.22Å; L218-I232 HydrophobicContact CD1-CG1 4.26Å; L218-I232 HydrophobicContact CD1-CG2 3.58Å; L218-I232 HydrophobicContact CD2-CD1 4.32Å; L218-I232 HydrophobicContact CD2-CG2 3.77Å; L218-I232 HydrophobicContact CG-CG2 4.34Å; L222-I232 HydrophobicContact CD1-CD1 4.25Å; L222-I232 HydrophobicContact CD2-CD1 4.33Å; I232-A263 HydrophobicContact CB-CB 4.07Å; I232-A263 HydrophobicContact CG2-CB 3.57Å; I232-A263 CarbonylContact O-C 3.43Å; I232-A263 VanDerWaalsContact O-CA 3.29Å; I232-A263 WeakPolarHBondContact O-CA 3.38Å; I232-E264 PolarHBondContact O-N 2.91Å
233F98.6Very high95.3Very high2 Ų253.8 Ų53.81%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-125.8136.2174.6-68.4-92.5000110.9V198 I199 I200 T201 F231 V235 E264 W266 F279 R282 V283 L286V198-F233 HydrophobicContact CG1-CD2 3.59Å; V198-F233 HydrophobicContact CG1-CE2 3.71Å; I199-F233 PolarHBondContact O-N 3.17Å; I200-F233 HydrophobicContact CG1-CB 4.29Å; T201-F233 PolarHBondContact N-O 2.94Å; F231-F233 HydrophobicContact CB-CE2 3.95Å; F233-V235 HydrophobicContact CB-CG2 4.38Å; F233-E264 CarbonylContact C-O 3.53Å; F233-E264 VanDerWaalsContact CA-O 3.25Å; F233-E264 WeakPolarHBondContact CA-O 3.48Å; F233-E264 HydrophobicContact CD1-CB 3.77Å; F233-E264 HydrophobicContact CD1-CG 4.17Å; F233-E264 HydrophobicContact CE1-CB 3.78Å; F233-E264 HydrophobicContact CE1-CG 3.97Å; F233-W266 AromaticContact CD1-CD1 3.99Å; F233-F279 HydrophobicContact CB-CE2 4.07Å; F233-F279 HydrophobicContact CB-CZ 4.29Å; F233-F279 HydrophobicContact CD1-CD2 4.46Å; F233-F279 AromaticContact CD1-CE2 3.66Å; F233-F279 HydrophobicContact CD1-CE2 3.66Å; F233-F279 HydrophobicContact CE1-CE2 4.26Å; F233-F279 AromaticContact CG-CE2 3.92Å; F233-F279 HydrophobicContact CG-CE2 3.92Å; F233-F279 HydrophobicContact CG-CZ 4.42Å; F233-R282 HydrophobicContact CE1-CG 4.41Å; F233-V283 HydrophobicContact CD2-CG2 4.16Å; F233-V283 HydrophobicContact CE1-CG2 4.23Å; F233-V283 HydrophobicContact CE2-CG2 3.83Å; F233-V283 HydrophobicContact CG-CG2 4.49Å; F233-V283 HydrophobicContact CZ-CG2 3.86Å; F233-L286 HydrophobicContact CZ-CD1 3.73Å
234L98.7Very high95.3Very high0 Ų048.4 Ų48.40%030%0.303CS..EExtended strand (participates in β ladder)trans-104.2123.9167.6-179.565.4000108.6T201 F203 L211 T214 A254 L257 A258 M261 A263 E264 Y265 W266T201-L234 WeakPolarHBondContact O-CA 3.32Å; F203-L234 HydrophobicContact CD1-CD1 3.78Å; F203-L234 HydrophobicContact CD1-CG 4.17Å; F203-L234 HydrophobicContact CE1-CD1 4.06Å; F203-L234 HydrophobicContact CE1-CD2 4.31Å; F203-L234 HydrophobicContact CE1-CG 3.93Å; L211-L234 HydrophobicContact CD1-CD1 4.38Å; L211-L234 HydrophobicContact CD1-CD2 4Å; T214-L234 HydrophobicContact CG2-CD1 3.73Å; L234-A254 HydrophobicContact CD2-CB 4.36Å; L234-A254 WeakPolarHBondContact CD2-O 3.34Å; L234-L257 HydrophobicContact CD2-CB 4.44Å; L234-L257 HydrophobicContact CD2-CD2 4.36Å; L234-L257 HydrophobicContact CD2-CG 4.32Å; L234-A258 HydrophobicContact CB-CB 4.17Å; L234-A258 HydrophobicContact CD2-CB 3.91Å; L234-M261 HydrophobicContact CD1-CE 4.48Å; L234-A263 HydrophobicContact CB-CB 4.3Å; L234-E264 PolarHBondContact N-O 2.79Å; L234-Y265 HydrophobicContact CB-CD2 4.33Å; L234-Y265 HydrophobicContact CD2-CD2 4.17Å; L234-Y265 HydrophobicContact CG-CD2 4.13Å; L234-Y265 CarbonylContact O-C 3.58Å; L234-Y265 VanDerWaalsContact O-CA 3.32Å; L234-Y265 WeakPolarHBondContact O-CA 3.39Å; L234-Y265 WeakPolarHBondContact O-CD2 3.27Å; L234-W266 PolarHBondContact O-N 2.82Å
235V98.7Very high95.2Very high0 Ų049 Ų490%032%0.318CS..EExtended strand (participates in β ladder)trans-122.7112.1-172.8-179.20000111.4L139 I200 T201 A202 F203 F233 T237 W266 V268 F279L139-V235 HydrophobicContact CD2-CG1 4.03Å; I200-V235 HydrophobicContact CG2-CB 4.2Å; I200-V235 HydrophobicContact CG2-CG2 3.55Å; T201-V235 PolarHBondContact O-N 2.99Å; A202-V235 WeakPolarHBondContact CA-O 3.24Å; F203-V235 VanDerWaalsContact CD1-O 3.31Å; F203-V235 WeakPolarHBondContact CD1-O 3.44Å; F203-V235 PolarHBondContact N-O 3.4Å; F233-V235 HydrophobicContact CB-CG2 4.38Å; V235-T237 HydrophobicContact CG1-CG2 4.25Å; V235-W266 CarbonylContact C-O 3.58Å; V235-W266 VanDerWaalsContact CA-O 3.3Å; V235-W266 WeakPolarHBondContact CA-O 3.28Å; V235-W266 HydrophobicContact CG2-CB 4.46Å; V235-V268 HydrophobicContact CG1-CG1 4.21Å; V235-V268 HydrophobicContact CG1-CG2 3.5Å; V235-F279 HydrophobicContact CG2-CE1 3.97Å; V235-F279 HydrophobicContact CG2-CE2 3.75Å; V235-F279 HydrophobicContact CG2-CZ 3.4Å; V235-F279 VanDerWaalsContact CG2-CZ 3.4Å
236G98.4Very high95.1Very high0 Ų050.3 Ų50.30%033%0.333CS..EExtended strand (participates in β ladder)trans-80.1115.916900000110.2F203 W266 S267 V268F203-G236 VanDerWaalsContact CE1-N 3.32Å; F203-G236 VanDerWaalsContact CZ-CA 3.45Å; G236-W266 PolarHBondContact N-O 2.92Å; G236-S267 CarbonylContact O-C 3.58Å; G236-S267 WeakPolarHBondContact O-CA 3.46Å; G236-V268 PolarHBondContact O-N 2.99Å
237T98.4Very high95.1Very high5 Ų543.3 Ų43.33%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-98.2171.8-179.3670000111.5V134 A202 F203 L205 V235 K239 V268V134-T237 WeakPolarHBondContact O-CB 2.92Å; V134-T237 WeakPolarHBondContact O-CG2 3.28Å; V134-T237 PolarHBondContact O-OG1 3.42Å; A202-T237 HydrophobicContact CB-CG2 4.19Å; F203-T237 WeakPolarHBondContact O-CB 3.48Å; F203-T237 PolarHBondContact O-N 3.24Å; F203-T237 PolarHBondContact O-OG1 3.01Å; L205-T237 VanDerWaalsContact CB-O 3.32Å; L205-T237 WeakPolarHBondContact CB-O 3.41Å; L205-T237 WeakPolarHBondContact CD1-O 3.43Å; L205-T237 VanDerWaalsContact CG-O 3.29Å; L205-T237 WeakPolarHBondContact CG-O 3.32Å; L205-T237 PolarHBondContact N-O 2.88Å; V235-T237 HydrophobicContact CG1-CG2 4.25Å; T237-K239 PolarHBondContact O-N 2.95Å; T237-V268 CarbonylContact C-O 3.46Å; T237-V268 WeakPolarHBondContact CA-O 3.42Å; T237-V268 HydrophobicContact CG2-CG2 4.29Å
238K97.5Very high95.2Very high56 Ų5644.8 Ų44.824%0.24329%0.29CS..  trans58.534.2178.5-47.4-171.2-163.2169.10113.2Y133 D204 D240 L241 V268Y133-K238 WeakPolarHBondContact O-CE 3.27Å; Y133-K238 PolarHBondContact O-NZ 3.21Å; D204-K238 VanDerWaalsContact OD2-CD 3.31Å; D204-K238 WeakPolarHBondContact OD2-CD 3.31Å; D204-K238 WeakPolarHBondContact OD2-CE 3.5Å; D204-K238 IonicContact OD2-NZ 2.82Å; D204-K238 PolarHBondContact OD2-NZ 2.69Å; K238-D240 PolarHBondContact O-N 3.48Å; K238-L241 HydrophobicContact CB-CD1 3.89Å; K238-L241 HydrophobicContact CB-CG 4.15Å; K238-L241 HydrophobicContact CD-CD1 3.92Å; K238-L241 HydrophobicContact CG-CD1 4.49Å; K238-L241 WeakPolarHBondContact O-CB 3.49Å; K238-L241 PolarHBondContact O-N 2.84Å; K238-V268 PolarHBondContact N-O 3.47Å
239K97.1Very high95.5Very high32 Ų3247.6 Ų47.614%0.13928%0.28CS..G310 helixtrans-50.7-31.8177.1-169.4-175.1-174.3-179.40113.2Y91 L205 T237 L241 L242 E251 S267 V268 E274Y91-K239 PolarHBondContact OH-NZ 3.06Å; L205-K239 HydrophobicContact CD1-CB 3.76Å; L205-K239 HydrophobicContact CD1-CG 4.13Å; T237-K239 PolarHBondContact O-N 2.95Å; K239-L241 PolarHBondContact O-N 3.37Å; K239-L241 VanDerWaalsContact O-N 3.08Å; K239-L242 PolarHBondContact O-N 3.09Å; K239-L242 VanDerWaalsContact O-N 3.16Å; K239-E251 WeakPolarHBondContact CE-OE1 3.45Å; K239-E251 IonicContact NZ-OE1 3.58Å; K239-S267 WeakPolarHBondContact CD-OG 3.45Å; K239-S267 WeakPolarHBondContact CG-OG 3.17Å; K239-V268 WeakPolarHBondContact CB-O 3.43Å; K239-V268 PolarHBondContact N-O 3.23Å; K239-V268 VanDerWaalsContact N-O 3.14Å; K239-E274 WeakPolarHBondContact CD-OE1 3.41Å; K239-E274 WeakPolarHBondContact CE-OE1 3.37Å; K239-E274 IonicContact NZ-OE1 3.09Å; K239-E274 PolarHBondContact NZ-OE1 3.14Å
240D96.8Very high95.7Very high49 Ų4946.7 Ų46.726%0.26227%0.273SS..G310 helixtrans-63.4-12.4177.764-81.9000115.3K238 S269 K271 T272K238-D240 PolarHBondContact O-N 3.48Å; D240-S269 WeakPolarHBondContact OD1-CB 3.35Å; D240-S269 PolarHBondContact OD1-OG 2.92Å; D240-K271 WeakPolarHBondContact OD2-CD 3.4Å; D240-K271 IonicContact OD2-NZ 3.02Å; D240-K271 PolarHBondContact OD2-NZ 3Å; D240-T272 HydrophobicContact CB-CG2 3.79Å
241L96.3Very high95.7Very high95 Ų9547.2 Ų47.250%0.49727%0.273SS..G310 helixtrans-92.8-12.2178.7-59-175.5000113.3T206 K238 K239T206-L241 HydrophobicContact CG2-CB 3.51Å; T206-L241 HydrophobicContact CG2-CD1 3.99Å; T206-L241 HydrophobicContact CG2-CG 4.39Å; K238-L241 HydrophobicContact CB-CD1 3.89Å; K238-L241 HydrophobicContact CB-CG 4.15Å; K238-L241 HydrophobicContact CD-CD1 3.92Å; K238-L241 HydrophobicContact CG-CD1 4.49Å; K238-L241 WeakPolarHBondContact O-CB 3.49Å; K238-L241 PolarHBondContact O-N 2.84Å; K239-L241 PolarHBondContact O-N 3.37Å; K239-L241 VanDerWaalsContact O-N 3.08Å
242L93.1Very high95.7Very high42 Ų4247.6 Ų47.622%0.2229%0.287CS..  trans-117150.7174.8-68.3-173.7000111.1L205 T206 K239 C247 V250L205-L242 HydrophobicContact CB-CD1 4Å; L205-L242 VanDerWaalsContact O-CD1 3.24Å; L205-L242 WeakPolarHBondContact O-CD1 3.36Å; T206-L242 HydrophobicContact CG2-CD2 4.26Å; T206-L242 HydrophobicContact CG2-CG 4.07Å; K239-L242 PolarHBondContact O-N 3.09Å; K239-L242 VanDerWaalsContact O-N 3.16Å; L242-C247 HydrophobicContact CB-CB 3.85Å; L242-V250 HydrophobicContact CD1-CB 4.48Å; L242-V250 HydrophobicContact CD1-CG2 4.23Å
243S91.1Very high95.6Very high102 Ų10250.6 Ų50.671%0.71330%0.301SS*.  trans-154.7159.117459.40000111.1
244G92.3Very high95.6Very high47 Ų4750.5 Ų50.549%0.48530%0.3SS..THydrogen-bonded Turntrans63-146.9-179.900000113.2A246 C247 E248G244-A246 VanDerWaalsContact C-N 3.28Å; G244-A246 PolarHBondContact O-N 2.9Å; G244-C247 WeakPolarHBondContact O-CB 3.01Å; G244-C247 PolarHBondContact O-N 2.77Å; G244-E248 PolarHBondContact O-N 2.85Å
245A92.7Very high95.5Very high74 Ų7451.3 Ų51.361%0.61231%0.305SS*.Hα-helixtrans-58.5-34.3-171.800000114.2C247 E248 Q249A245-C247 VanDerWaalsContact C-N 3.35Å; A245-C247 PolarHBondContact O-N 3.49Å; A245-E248 PolarHBondContact O-N 2.85Å; A245-Q249 WeakPolarHBondContact O-CB 3.23Å; A245-Q249 PolarHBondContact O-N 3.41Å
246A91.4Very high95.4Very high54 Ų5457 Ų5745%0.44633%0.331SS..Hα-helixtrans-65.2-39.3178.200000112G244 V250G244-A246 VanDerWaalsContact C-N 3.28Å; G244-A246 PolarHBondContact O-N 2.9Å; A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 3.49Å
247C92.8Very high95.3Very high13 Ų1357.6 Ų57.69%0.08834%0.335CS..Hα-helixtrans-64.9-48.5174.9-1680000110.4L242 G244 A245 Q249 V250 E251L242-C247 HydrophobicContact CB-CB 3.85Å; G244-C247 WeakPolarHBondContact O-CB 3.01Å; G244-C247 PolarHBondContact O-N 2.77Å; A245-C247 VanDerWaalsContact C-N 3.35Å; A245-C247 PolarHBondContact O-N 3.49Å; C247-Q249 VanDerWaalsContact C-N 3.29Å; C247-Q249 PolarHBondContact O-N 3.18Å; C247-V250 PolarHBondContact O-N 2.95Å; C247-E251 WeakPolarHBondContact O-CG 3.49Å; C247-E251 PolarHBondContact O-N 3.41Å
248E94Very high95.3Very high139 Ų13957.4 Ų57.465%0.6533%0.334SS*.Hα-helixtrans-59.3-39.7-179-68.4172.2-17200112.4G244 A245 A252G244-E248 PolarHBondContact O-N 2.85Å; A245-E248 PolarHBondContact O-N 2.85Å; E248-A252 VanDerWaalsContact O-CB 3.3Å; E248-A252 WeakPolarHBondContact O-CB 3.44Å; E248-A252 PolarHBondContact O-N 2.89Å
249Q95.1Very high95.2Very high143 Ų14359.9 Ų59.967%0.66834%0.344SS*.Hα-helixtrans-64-48.1177.6-176176.1-6.100112.1A245 C247 A252 E253A245-Q249 WeakPolarHBondContact O-CB 3.23Å; A245-Q249 PolarHBondContact O-N 3.41Å; C247-Q249 VanDerWaalsContact C-N 3.29Å; C247-Q249 PolarHBondContact O-N 3.18Å; Q249-A252 PolarHBondContact O-N 2.99Å; Q249-E253 PolarHBondContact O-N 3.12Å; Q249-E253 VanDerWaalsContact O-N 3.09Å
250V95.8Very high95.1Very high28 Ų2863 Ų6317%0.1736%0.359CS..Hα-helixtrans-67.4-40.1179.3178.20000111.1F203 L205 L242 A246 C247 A252 E253 A254F203-V250 HydrophobicContact CE2-CG1 4.32Å; L205-V250 HydrophobicContact CD2-CG1 3.81Å; L242-V250 HydrophobicContact CD1-CB 4.48Å; L242-V250 HydrophobicContact CD1-CG2 4.23Å; A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 3.49Å; C247-V250 PolarHBondContact O-N 2.95Å; V250-A252 VanDerWaalsContact C-N 3.32Å; V250-A252 PolarHBondContact O-N 3.38Å; V250-E253 PolarHBondContact O-N 2.85Å; V250-A254 WeakPolarHBondContact O-CB 3.4Å; V250-A254 PolarHBondContact O-N 3.46Å
251E96.2Very high95.1Very high29 Ų2961.4 Ų61.414%0.13635%0.351CS..Hα-helixtrans-63.1-39.5175.4-65.7-158.8178.200111.3Y91 L205 K239 C247 A254 V255 Y265 S267Y91-E251 WeakPolarHBondContact CE1-OE2 3.49Å; Y91-E251 PolarHBondContact OH-OE1 2.98Å; Y91-E251 PolarHBondContact OH-OE2 3.33Å; L205-E251 HydrophobicContact CD2-CG 4.48Å; K239-E251 WeakPolarHBondContact CE-OE1 3.45Å; K239-E251 IonicContact NZ-OE1 3.58Å; C247-E251 WeakPolarHBondContact O-CG 3.49Å; C247-E251 PolarHBondContact O-N 3.41Å; E251-A254 PolarHBondContact O-N 3.39Å; E251-V255 WeakPolarHBondContact O-CB 3.36Å; E251-V255 VanDerWaalsContact O-CG2 3.27Å; E251-V255 WeakPolarHBondContact O-CG2 3.43Å; E251-V255 PolarHBondContact O-N 2.92Å; E251-Y265 HydrophobicContact CB-CE1 4.22Å; E251-Y265 HydrophobicContact CG-CE1 4.37Å; E251-Y265 WeakPolarHBondContact CG-OH 3.39Å; E251-S267 WeakPolarHBondContact OE1-CB 3.33Å; E251-S267 PolarHBondContact OE1-OG 3.4Å
252A96.3Very high95Very high64 Ų6462.9 Ų62.953%0.52936%0.355SS..Hα-helixtrans-63.4-42.9177.100000112.5E248 Q249 V250 V255 H256E248-A252 VanDerWaalsContact O-CB 3.3Å; E248-A252 WeakPolarHBondContact O-CB 3.44Å; E248-A252 PolarHBondContact O-N 2.89Å; Q249-A252 PolarHBondContact O-N 2.99Å; V250-A252 VanDerWaalsContact C-N 3.32Å; V250-A252 PolarHBondContact O-N 3.38Å; A252-V255 PolarHBondContact O-N 3.12Å; A252-H256 PolarHBondContact O-N 2.93Å
253E96.4Very high95.2Very high89 Ų8961 Ų6142%0.41635%0.345SS..Hα-helixtrans-64.2-43.9174.9-173.7174.9-179.300111.6L211 Q249 V250 V255 H256 L257L211-E253 HydrophobicContact CD2-CG 4.09Å; Q249-E253 PolarHBondContact O-N 3.12Å; Q249-E253 VanDerWaalsContact O-N 3.09Å; V250-E253 PolarHBondContact O-N 2.85Å; E253-V255 VanDerWaalsContact C-N 3.34Å; E253-V255 PolarHBondContact O-N 3.07Å; E253-H256 WeakPolarHBondContact O-CB 3.43Å; E253-H256 PolarHBondContact O-N 3.18Å; E253-H256 VanDerWaalsContact O-N 3.15Å; E253-L257 PolarHBondContact O-N 2.8Å
254A97.5Very high95.6Very high0 Ų056.6 Ų56.60%031%0.313CS..Hα-helixtrans-63.9-38.4176.900000112.4F203 L211 L234 V250 E251 H256 L257 A258 Y265F203-A254 HydrophobicContact CE1-CB 4.09Å; F203-A254 HydrophobicContact CZ-CB 3.58Å; L211-A254 HydrophobicContact CD1-CB 4.07Å; L211-A254 HydrophobicContact CD2-CB 4.26Å; L234-A254 HydrophobicContact CD2-CB 4.36Å; L234-A254 WeakPolarHBondContact CD2-O 3.34Å; V250-A254 WeakPolarHBondContact O-CB 3.4Å; V250-A254 PolarHBondContact O-N 3.46Å; E251-A254 PolarHBondContact O-N 3.39Å; A254-H256 VanDerWaalsContact C-N 3.33Å; A254-L257 PolarHBondContact O-N 2.86Å; A254-A258 VanDerWaalsContact O-CB 3.3Å; A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 3.31Å; A254-Y265 HydrophobicContact CB-CD2 3.87Å; A254-Y265 HydrophobicContact CB-CE2 3.38Å
255V97.4Very high95.9Very high17 Ų1754.3 Ų54.310%0.10329%0.29CS..Hα-helixtrans-63.3-39.6173.2167.10000111.3E94 A95 E251 A252 E253 A258 K259 Y265E94-V255 HydrophobicContact CB-CG1 4.28Å; E94-V255 VanDerWaalsContact O-CG1 3.3Å; E94-V255 WeakPolarHBondContact O-CG1 3.4Å; A95-V255 HydrophobicContact CB-CG2 4.04Å; E251-V255 WeakPolarHBondContact O-CB 3.36Å; E251-V255 VanDerWaalsContact O-CG2 3.27Å; E251-V255 WeakPolarHBondContact O-CG2 3.43Å; E251-V255 PolarHBondContact O-N 2.92Å; A252-V255 PolarHBondContact O-N 3.12Å; E253-V255 VanDerWaalsContact C-N 3.34Å; E253-V255 PolarHBondContact O-N 3.07Å; V255-A258 PolarHBondContact O-N 3.03Å; V255-K259 WeakPolarHBondContact O-CG 3.32Å; V255-K259 PolarHBondContact O-N 3.04Å; V255-Y265 HydrophobicContact CG2-CD1 3.45Å; V255-Y265 VanDerWaalsContact CG2-CD1 3.45Å; V255-Y265 HydrophobicContact CG2-CE1 4.04Å; V255-Y265 HydrophobicContact CG2-CG 4.02Å
256H96.4Very high96.1Very high118 Ų11851.1 Ų51.155%0.54626%0.262SS..Hα-helixtrans-62.3-49.2175.5-173.866.6000111.2A252 E253 A254 A258 K259 E260A252-H256 PolarHBondContact O-N 2.93Å; E253-H256 WeakPolarHBondContact O-CB 3.43Å; E253-H256 PolarHBondContact O-N 3.18Å; E253-H256 VanDerWaalsContact O-N 3.15Å; A254-H256 VanDerWaalsContact C-N 3.33Å; H256-A258 PolarHBondContact O-N 2.84Å; H256-K259 WeakPolarHBondContact O-CB 3.19Å; H256-K259 PolarHBondContact O-N 3.08Å; H256-E260 IonicContact CD2-OE1 2.78Å; H256-E260 IonicContact NE2-OE1 3.76Å; H256-E260 PolarHBondContact NE2-OE1 3.12Å; H256-E260 PolarHBondContact O-N 3.5Å
257L97.1Very high96.4Very high14 Ų1448.5 Ų48.57%0.07324%0.241CC..Hα-helixtrans-60.4-42.8176.8177.159.7000112.5L211 R215 L234 E253 A254 K259 E260 M261L211-L257 HydrophobicContact CD1-CD2 3.52Å; L211-L257 HydrophobicContact CG-CD2 3.67Å; L211-L257 WeakPolarHBondContact O-CD2 3.33Å; R215-L257 HydrophobicContact CG-CD1 3.94Å; R215-L257 VanDerWaalsContact NE-CD1 3.28Å; L234-L257 HydrophobicContact CD2-CB 4.44Å; L234-L257 HydrophobicContact CD2-CD2 4.36Å; L234-L257 HydrophobicContact CD2-CG 4.32Å; E253-L257 PolarHBondContact O-N 2.8Å; A254-L257 PolarHBondContact O-N 2.86Å; L257-K259 VanDerWaalsContact C-N 3.27Å; L257-K259 PolarHBondContact O-N 3.33Å; L257-E260 PolarHBondContact O-N 2.97Å; L257-E260 VanDerWaalsContact O-N 3.14Å; L257-M261 HydrophobicContact CD1-CG 4.19Å; L257-M261 HydrophobicContact CD1-SD 3.84Å; L257-M261 HydrophobicContact CD2-SD 4.13Å; L257-M261 HydrophobicContact CG-CG 4.44Å; L257-M261 HydrophobicContact CG-SD 3.63Å; L257-M261 WeakPolarHBondContact O-CG 3.49Å; L257-M261 PolarHBondContact O-N 3.05Å
258A97.4Very high96.7Very high1 Ų148 Ų481%0.00824%0.237CC..Hα-helixtrans-59-38.7178.800000112.2L234 A254 V255 H256 E260 M261 Q262 A263L234-A258 HydrophobicContact CB-CB 4.17Å; L234-A258 HydrophobicContact CD2-CB 3.91Å; A254-A258 VanDerWaalsContact O-CB 3.3Å; A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 3.31Å; V255-A258 PolarHBondContact O-N 3.03Å; H256-A258 PolarHBondContact O-N 2.84Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.92Å; A258-M261 CarbonylContact O-C 3.57Å; A258-M261 PolarHBondContact O-N 2.81Å; A258-Q262 PolarHBondContact O-N 3.03Å; A258-A263 HydrophobicContact CB-CB 4.32Å; A258-A263 PolarHBondContact O-N 3.34Å
259K95.8Very high96.9Very high107 Ų10741.3 Ų41.347%0.46521%0.206SC..Hα-helixtrans-61.9-42.3176.2-72.5170.7-178.4175.40111.9E94 V255 H256 L257 M261 Q262E94-K259 WeakPolarHBondContact O-CE 3.42Å; V255-K259 WeakPolarHBondContact O-CG 3.32Å; V255-K259 PolarHBondContact O-N 3.04Å; H256-K259 WeakPolarHBondContact O-CB 3.19Å; H256-K259 PolarHBondContact O-N 3.08Å; L257-K259 VanDerWaalsContact C-N 3.27Å; L257-K259 PolarHBondContact O-N 3.33Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-Q262 PolarHBondContact O-N 3.11Å; K259-Q262 PolarHBondContact O-NE2 3.13Å
260E95.4Very high97Very high98 Ų9835 Ų3546%0.45818%0.179SC..Hα-helixtrans-66.5-37.3177-62.1-176.7178.300112R215 H256 L257 A258 Q262R215-E260 IonicContact CZ-OE2 3.11Å; R215-E260 IonicContact NH1-OE2 2.73Å; R215-E260 PolarHBondContact NH1-OE2 2.86Å; R215-E260 IonicContact NH2-OE2 2.61Å; R215-E260 PolarHBondContact NH2-OE2 2.86Å; H256-E260 IonicContact CD2-OE1 2.78Å; H256-E260 IonicContact NE2-OE1 3.76Å; H256-E260 PolarHBondContact NE2-OE1 3.12Å; H256-E260 PolarHBondContact O-N 3.5Å; L257-E260 PolarHBondContact O-N 2.97Å; L257-E260 VanDerWaalsContact O-N 3.14Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.92Å; E260-Q262 PolarHBondContact O-N 2.78Å
261M95.4Very high97.1Very high16 Ų1637.7 Ų37.78%0.07919%0.188CC..THydrogen-bonded Turntrans-75.3-3.3175.7-67.9170.566.100113.7R215 L218 L234 L257 A258 K259 A263R215-M261 HydrophobicContact CG-CG 4.47Å; R215-M261 HydrophobicContact CG-SD 4.31Å; L218-M261 HydrophobicContact CB-CE 3.82Å; L218-M261 HydrophobicContact CD2-CB 3.86Å; L218-M261 HydrophobicContact CD2-CE 3.41Å; L218-M261 VanDerWaalsContact CD2-CE 3.41Å; L218-M261 HydrophobicContact CD2-CG 4.14Å; L218-M261 HydrophobicContact CG-CE 4.22Å; L234-M261 HydrophobicContact CD1-CE 4.48Å; L257-M261 HydrophobicContact CD1-CG 4.19Å; L257-M261 HydrophobicContact CD1-SD 3.84Å; L257-M261 HydrophobicContact CD2-SD 4.13Å; L257-M261 HydrophobicContact CG-CG 4.44Å; L257-M261 HydrophobicContact CG-SD 3.63Å; L257-M261 WeakPolarHBondContact O-CG 3.49Å; L257-M261 PolarHBondContact O-N 3.05Å; A258-M261 CarbonylContact O-C 3.57Å; A258-M261 PolarHBondContact O-N 2.81Å; K259-M261 VanDerWaalsContact C-N 3.32Å; M261-A263 HydrophobicContact CB-CB 4.06Å; M261-A263 PolarHBondContact O-N 3.24Å
262Q96.3Very high97.2Very high125 Ų12540.4 Ų40.458%0.58421%0.207SC*.THydrogen-bonded Turntrans5047.9-169.3-62.2-67.4-63.700111.3L97 A258 K259 E260L97-Q262 VanDerWaalsContact CD1-O 3.24Å; L97-Q262 WeakPolarHBondContact CD1-O 3.49Å; A258-Q262 PolarHBondContact O-N 3.03Å; K259-Q262 PolarHBondContact O-N 3.11Å; K259-Q262 PolarHBondContact O-NE2 3.13Å; E260-Q262 PolarHBondContact O-N 2.78Å
263A97.3Very high97.2Very high2 Ų238.6 Ų38.62%0.01719%0.194CC..  trans-116.9149-177.500000111.6I232 L234 A258 M261I232-A263 HydrophobicContact CB-CB 4.07Å; I232-A263 HydrophobicContact CG2-CB 3.57Å; I232-A263 CarbonylContact O-C 3.43Å; I232-A263 VanDerWaalsContact O-CA 3.29Å; I232-A263 WeakPolarHBondContact O-CA 3.38Å; L234-A263 HydrophobicContact CB-CB 4.3Å; A258-A263 HydrophobicContact CB-CB 4.32Å; A258-A263 PolarHBondContact O-N 3.34Å; M261-A263 HydrophobicContact CB-CB 4.06Å; M261-A263 PolarHBondContact O-N 3.24Å
264E97.8Very high97.3Very high10 Ų1038 Ų385%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-85.2130.4166.3-178172.7135.800109.6A95 C96 I232 F233 L234 W266 R282A95-E264 CarbonylContact O-C 3.6Å; A95-E264 WeakPolarHBondContact O-CA 3.48Å; A95-E264 WeakPolarHBondContact O-CG 3.37Å; C96-E264 HydrophobicContact CB-CG 4.46Å; C96-E264 PolarHBondContact SG-OE2 2.96Å; I232-E264 PolarHBondContact O-N 2.91Å; F233-E264 CarbonylContact C-O 3.53Å; F233-E264 VanDerWaalsContact CA-O 3.25Å; F233-E264 WeakPolarHBondContact CA-O 3.48Å; F233-E264 HydrophobicContact CD1-CB 3.77Å; F233-E264 HydrophobicContact CD1-CG 4.17Å; F233-E264 HydrophobicContact CE1-CB 3.78Å; F233-E264 HydrophobicContact CE1-CG 3.97Å; L234-E264 PolarHBondContact N-O 2.79Å; E264-W266 PolarHBondContact OE1-NE1 3.37Å; E264-R282 WeakPolarHBondContact OE1-CG 3.29Å; E264-R282 IonicContact OE1-CZ 2.97Å; E264-R282 IonicContact OE1-NE 3.97Å; E264-R282 PolarHBondContact OE1-NE 3.1Å; E264-R282 VanDerWaalsContact OE1-NE 3.14Å; E264-R282 IonicContact OE2-CZ 3.29Å; E264-R282 IonicContact OE2-NE 2.64Å; E264-R282 PolarHBondContact OE2-NE 3Å; E264-R282 IonicContact OE2-NH2 3Å; E264-R282 PolarHBondContact OE2-NH2 3.39Å
265Y98.4Very high97.3Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-95139-177172-101.7000112.9Y91 A95 F203 L234 E251 A254 V255Y91-Y265 WeakPolarHBondContact CB-O 3.45Å; Y91-Y265 HydrophobicContact CD1-CD1 4.06Å; Y91-Y265 HydrophobicContact CD1-CE1 4.13Å; Y91-Y265 HydrophobicContact CE1-CD1 4.31Å; Y91-Y265 AromaticContact CE1-CE1 3.92Å; Y91-Y265 HydrophobicContact CE1-CE1 3.92Å; A95-Y265 HydrophobicContact CB-CD1 4.01Å; A95-Y265 HydrophobicContact CB-CG 4.47Å; A95-Y265 PolarHBondContact O-N 3.09Å; F203-Y265 AromaticContact CE1-CE2 3.87Å; F203-Y265 HydrophobicContact CE1-CE2 3.87Å; F203-Y265 AromaticContact CZ-CE2 3.95Å; F203-Y265 HydrophobicContact CZ-CE2 3.95Å; L234-Y265 HydrophobicContact CB-CD2 4.33Å; L234-Y265 HydrophobicContact CD2-CD2 4.17Å; L234-Y265 HydrophobicContact CG-CD2 4.13Å; L234-Y265 CarbonylContact O-C 3.58Å; L234-Y265 VanDerWaalsContact O-CA 3.32Å; L234-Y265 WeakPolarHBondContact O-CA 3.39Å; L234-Y265 WeakPolarHBondContact O-CD2 3.27Å; E251-Y265 HydrophobicContact CB-CE1 4.22Å; E251-Y265 HydrophobicContact CG-CE1 4.37Å; E251-Y265 WeakPolarHBondContact CG-OH 3.39Å; A254-Y265 HydrophobicContact CB-CD2 3.87Å; A254-Y265 HydrophobicContact CB-CE2 3.38Å; V255-Y265 HydrophobicContact CG2-CD1 3.45Å; V255-Y265 VanDerWaalsContact CG2-CD1 3.45Å; V255-Y265 HydrophobicContact CG2-CE1 4.04Å; V255-Y265 HydrophobicContact CG2-CG 4.02Å
266W98.5Very high97.4Very high6 Ų639.3 Ų39.32%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-138.8139174.1-7873.7000111.7Y91 F233 L234 V235 G236 E264 V268 N275 A278 F279 R282Y91-W266 HydrophobicContact CD2-CE3 4.32Å; Y91-W266 HydrophobicContact CG-CD2 4.47Å; Y91-W266 HydrophobicContact CG-CE3 4.37Å; F233-W266 AromaticContact CD1-CD1 3.99Å; L234-W266 PolarHBondContact O-N 2.82Å; V235-W266 CarbonylContact C-O 3.58Å; V235-W266 VanDerWaalsContact CA-O 3.3Å; V235-W266 WeakPolarHBondContact CA-O 3.28Å; V235-W266 HydrophobicContact CG2-CB 4.46Å; G236-W266 PolarHBondContact N-O 2.92Å; E264-W266 PolarHBondContact OE1-NE1 3.37Å; W266-V268 HydrophobicContact CB-CG1 4.41Å; W266-N275 HydrophobicContact CE3-CB 4.29Å; W266-N275 HydrophobicContact CZ3-CB 4.39Å; W266-A278 HydrophobicContact CH2-CB 3.96Å; W266-A278 HydrophobicContact CZ3-CB 3.81Å; W266-F279 HydrophobicContact CB-CD2 3.85Å; W266-F279 HydrophobicContact CB-CE2 4.3Å; W266-F279 HydrophobicContact CB-CG 4.45Å; W266-F279 AromaticContact CD1-CD2 3.67Å; W266-F279 HydrophobicContact CD2-CB 3.87Å; W266-F279 AromaticContact CD2-CD2 3.61Å; W266-F279 HydrophobicContact CD2-CD2 3.61Å; W266-F279 HydrophobicContact CD2-CG 4.18Å; W266-F279 AromaticContact CE2-CD2 4Å; W266-F279 HydrophobicContact CE3-CB 3.57Å; W266-F279 HydrophobicContact CE3-CD2 4.22Å; W266-F279 HydrophobicContact CE3-CG 4.33Å; W266-F279 HydrophobicContact CG-CB 4.41Å; W266-F279 AromaticContact CG-CD2 3.42Å; W266-F279 HydrophobicContact CG-CD2 3.42Å; W266-F279 VanDerWaalsContact CG-CD2 3.42Å; W266-F279 HydrophobicContact CG-CE2 4.06Å; W266-F279 HydrophobicContact CG-CG 4.24Å; W266-F279 HydrophobicContact CZ3-CB 3.96Å; W266-R282 HydrophobicContact CH2-CB 4.44Å; W266-R282 HydrophobicContact CZ2-CB 3.8Å; W266-R282 HydrophobicContact CZ2-CG 3.88Å
267S97.9Very high97.4Very high0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-108.6124.5171.8-175.60000109.9L205 G236 K239 E251 N275L205-S267 VanDerWaalsContact CD1-OG 3.31Å; L205-S267 WeakPolarHBondContact CD1-OG 3.3Å; G236-S267 CarbonylContact O-C 3.58Å; G236-S267 WeakPolarHBondContact O-CA 3.46Å; K239-S267 WeakPolarHBondContact CD-OG 3.45Å; K239-S267 WeakPolarHBondContact CG-OG 3.17Å; E251-S267 WeakPolarHBondContact OE1-CB 3.33Å; E251-S267 PolarHBondContact OE1-OG 3.4Å; S267-N275 VanDerWaalsContact O-CB 3.3Å; S267-N275 WeakPolarHBondContact O-CB 3.33Å; S267-N275 PolarHBondContact O-ND2 3.16Å
268V98.5Very high97.4Very high1 Ų140 Ų401%0.00621%0.207CC..  trans-136.6154-169.7-55.60000112.4L139 V235 G236 T237 K238 K239 W266 N275 V276 F279L139-V268 HydrophobicContact CD1-CB 4.45Å; L139-V268 HydrophobicContact CD1-CG2 3.82Å; L139-V268 HydrophobicContact CD2-CG2 4.38Å; V235-V268 HydrophobicContact CG1-CG1 4.21Å; V235-V268 HydrophobicContact CG1-CG2 3.5Å; G236-V268 PolarHBondContact O-N 2.99Å; T237-V268 CarbonylContact C-O 3.46Å; T237-V268 WeakPolarHBondContact CA-O 3.42Å; T237-V268 HydrophobicContact CG2-CG2 4.29Å; K238-V268 PolarHBondContact N-O 3.47Å; K239-V268 WeakPolarHBondContact CB-O 3.43Å; K239-V268 PolarHBondContact N-O 3.23Å; K239-V268 VanDerWaalsContact N-O 3.14Å; W266-V268 HydrophobicContact CB-CG1 4.41Å; V268-N275 HydrophobicContact CG1-CB 4.01Å; V268-V276 HydrophobicContact CB-CG2 4.27Å; V268-F279 HydrophobicContact CG1-CB 4.34Å
269S98.3Very high97.4Very high0 Ų040 Ų400%021%0.207CC..  trans-124.5114.8166.3173.40000110.8D240 K271 T272 G273 E274 V276D240-S269 WeakPolarHBondContact OD1-CB 3.35Å; D240-S269 PolarHBondContact OD1-OG 2.92Å; S269-K271 PolarHBondContact O-N 3.4Å; S269-K271 PolarHBondContact OG-N 3.09Å; S269-T272 VanDerWaalsContact CB-OG1 3.22Å; S269-T272 WeakPolarHBondContact CB-OG1 3.48Å; S269-T272 PolarHBondContact OG-N 3.38Å; S269-T272 VanDerWaalsContact OG-N 3.1Å; S269-T272 PolarHBondContact OG-OG1 2.9Å; S269-G273 CarbonylContact O-C 3.6Å; S269-G273 WeakPolarHBondContact O-CA 3.39Å; S269-G273 PolarHBondContact O-N 3.12Å; S269-E274 PolarHBondContact N-O 2.94Å; S269-E274 VanDerWaalsContact N-O 3.07Å; S269-E274 PolarHBondContact O-N 3.27Å; S269-V276 WeakPolarHBondContact O-CG2 3.37Å
270A97.9Very high97.5Very high11 Ų1134.9 Ų34.99%0.09119%0.185CC..THydrogen-bonded Turntrans-65.8-26.5170.500000112.1R142 F148R142-A270 HydrophobicContact CB-CB 4.18Å; R142-A270 WeakPolarHBondContact CG-O 3.1Å; R142-A270 PolarHBondContact NE-O 2.66Å; R142-A270 PolarHBondContact NH2-O 2.64Å; F148-A270 HydrophobicContact CD2-CB 4.07Å; F148-A270 WeakPolarHBondContact CD2-O 3.43Å; F148-A270 HydrophobicContact CE2-CB 4.29Å
271K97.3Very high97.6Very high84 Ų8431.1 Ų31.137%0.36517%0.169SC..THydrogen-bonded Turntrans-73.3-52.7-179-176.1-167.1-176.7179.60111.2R142 F148 D240 S269R142-K271 PolarHBondContact NH2-O 2.97Å; F148-K271 HydrophobicContact CD1-CB 4.31Å; F148-K271 HydrophobicContact CD1-CG 4.11Å; F148-K271 HydrophobicContact CD2-CB 4.26Å; F148-K271 HydrophobicContact CE1-CB 4Å; F148-K271 HydrophobicContact CE1-CG 3.76Å; F148-K271 HydrophobicContact CE2-CB 3.96Å; F148-K271 HydrophobicContact CG-CB 4.43Å; F148-K271 HydrophobicContact CZ-CB 3.82Å; F148-K271 HydrophobicContact CZ-CG 4.05Å; D240-K271 WeakPolarHBondContact OD2-CD 3.4Å; D240-K271 IonicContact OD2-NZ 3.02Å; D240-K271 PolarHBondContact OD2-NZ 3Å; S269-K271 PolarHBondContact O-N 3.4Å; S269-K271 PolarHBondContact OG-N 3.09Å
272T97.5Very high97.7Very high86 Ų8630.5 Ų30.553%0.52817%0.166SC..THydrogen-bonded Turntrans-84.1-21.7-178.966.40000112.5D240 S269 E274D240-T272 HydrophobicContact CB-CG2 3.79Å; S269-T272 VanDerWaalsContact CB-OG1 3.22Å; S269-T272 WeakPolarHBondContact CB-OG1 3.48Å; S269-T272 PolarHBondContact OG-N 3.38Å; S269-T272 VanDerWaalsContact OG-N 3.1Å; S269-T272 PolarHBondContact OG-OG1 2.9Å; T272-E274 VanDerWaalsContact C-N 3.31Å; T272-E274 WeakPolarHBondContact OG1-CB 3.3Å; T272-E274 PolarHBondContact OG1-N 3.12Å
273G97.5Very high97.8Very high25 Ų2524.5 Ų24.526%0.25814%0.138SC..  trans84.43.1-171.800000113.6S269 N275 V276S269-G273 CarbonylContact O-C 3.6Å; S269-G273 WeakPolarHBondContact O-CA 3.39Å; S269-G273 PolarHBondContact O-N 3.12Å; G273-N275 PolarHBondContact O-N 2.95Å; G273-V276 PolarHBondContact O-N 2.93Å
274E97.8Very high97.8Very high77 Ų7724.4 Ų24.436%0.3614%0.137SC..THydrogen-bonded Turntrans-57.3130.4179-168.7-171.515600111K239 S269 T272 V276K239-E274 WeakPolarHBondContact CD-OE1 3.41Å; K239-E274 WeakPolarHBondContact CE-OE1 3.37Å; K239-E274 IonicContact NZ-OE1 3.09Å; K239-E274 PolarHBondContact NZ-OE1 3.14Å; S269-E274 PolarHBondContact N-O 2.94Å; S269-E274 VanDerWaalsContact N-O 3.07Å; S269-E274 PolarHBondContact O-N 3.27Å; T272-E274 VanDerWaalsContact C-N 3.31Å; T272-E274 WeakPolarHBondContact OG1-CB 3.3Å; T272-E274 PolarHBondContact OG1-N 3.12Å; E274-V276 PolarHBondContact O-N 3.16Å
275N97.7Very high97.8Very high44 Ų4424 Ų2424%0.23514%0.135CC..THydrogen-bonded Turntrans60.1-10179-58.3-30.7000117Y91 W266 S267 V268 G273 K277 A278 F279Y91-N275 WeakPolarHBondContact CE2-ND2 3.49Å; W266-N275 HydrophobicContact CE3-CB 4.29Å; W266-N275 HydrophobicContact CZ3-CB 4.39Å; S267-N275 VanDerWaalsContact O-CB 3.3Å; S267-N275 WeakPolarHBondContact O-CB 3.33Å; S267-N275 PolarHBondContact O-ND2 3.16Å; V268-N275 HydrophobicContact CG1-CB 4.01Å; G273-N275 PolarHBondContact O-N 2.95Å; N275-K277 PolarHBondContact O-N 3.38Å; N275-A278 PolarHBondContact O-N 3.18Å; N275-F279 VanDerWaalsContact O-CB 3.25Å; N275-F279 WeakPolarHBondContact O-CB 3.36Å; N275-F279 PolarHBondContact O-N 3.29Å
276V98.3Very high97.6Very high1 Ų124.6 Ų24.61%0.00614%0.138CC..Hα-helixtrans-57.8-48.1-176.3178.40000112.3L139 R142 F143 V268 S269 G273 E274 F280L139-V276 HydrophobicContact CD1-CB 4.39Å; L139-V276 HydrophobicContact CD1-CG1 3.9Å; L139-V276 HydrophobicContact CD1-CG2 3.82Å; R142-V276 HydrophobicContact CB-CG1 4.47Å; R142-V276 HydrophobicContact CG-CB 4.23Å; R142-V276 HydrophobicContact CG-CG1 3.98Å; R142-V276 HydrophobicContact CG-CG2 3.99Å; F143-V276 HydrophobicContact CB-CG1 3.81Å; F143-V276 HydrophobicContact CD2-CG1 4.43Å; V268-V276 HydrophobicContact CB-CG2 4.27Å; S269-V276 WeakPolarHBondContact O-CG2 3.37Å; G273-V276 PolarHBondContact O-N 2.93Å; E274-V276 PolarHBondContact O-N 3.16Å; V276-F280 HydrophobicContact CG1-CD2 4.06Å; V276-F280 HydrophobicContact CG1-CE2 4.22Å; V276-F280 WeakPolarHBondContact O-CD2 3.39Å; V276-F280 PolarHBondContact O-N 2.84Å; V276-F280 VanDerWaalsContact O-N 3.14Å
277K96.9Very high97.6Very high99 Ų9924.3 Ų24.343%0.4314%0.138SC..Hα-helixtrans-68.1-41.7-178.7-62.5-169.9-176.8-160.70112.6D81 N275 S281D81-K277 HydrophobicContact CB-CD 4.48Å; D81-K277 WeakPolarHBondContact OD2-CE 3.43Å; D81-K277 IonicContact OD2-NZ 3.87Å; D81-K277 PolarHBondContact OD2-NZ 2.87Å; N275-K277 PolarHBondContact O-N 3.38Å; K277-S281 VanDerWaalsContact O-CB 3.29Å; K277-S281 WeakPolarHBondContact O-CB 3.36Å; K277-S281 PolarHBondContact O-N 3.43Å; K277-S281 PolarHBondContact O-OG 3.2Å
278A97.3Very high97.5Very high48 Ų4824.3 Ų24.340%0.39714%0.138SC..Hα-helixtrans-64.1-44.317900000110.7W266 N275 S281 R282W266-A278 HydrophobicContact CH2-CB 3.96Å; W266-A278 HydrophobicContact CZ3-CB 3.81Å; N275-A278 PolarHBondContact O-N 3.18Å; A278-S281 PolarHBondContact O-N 3.46Å; A278-R282 PolarHBondContact O-N 3.43Å
279F98.2Very high97.3Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-56.4-55.7175.5170.9-120.2000112.2L139 I200 F233 V235 W266 V268 N275 S281 R282 V283L139-F279 HydrophobicContact CD2-CE1 4.45Å; I200-F279 HydrophobicContact CD1-CE1 3.85Å; I200-F279 HydrophobicContact CD1-CZ 3.63Å; I200-F279 HydrophobicContact CG1-CZ 3.97Å; I200-F279 HydrophobicContact CG2-CE1 4.43Å; I200-F279 HydrophobicContact CG2-CZ 3.99Å; F233-F279 HydrophobicContact CB-CE2 4.07Å; F233-F279 HydrophobicContact CB-CZ 4.29Å; F233-F279 HydrophobicContact CD1-CD2 4.46Å; F233-F279 AromaticContact CD1-CE2 3.66Å; F233-F279 HydrophobicContact CD1-CE2 3.66Å; F233-F279 HydrophobicContact CE1-CE2 4.26Å; F233-F279 AromaticContact CG-CE2 3.92Å; F233-F279 HydrophobicContact CG-CE2 3.92Å; F233-F279 HydrophobicContact CG-CZ 4.42Å; V235-F279 HydrophobicContact CG2-CE1 3.97Å; V235-F279 HydrophobicContact CG2-CE2 3.75Å; V235-F279 HydrophobicContact CG2-CZ 3.4Å; V235-F279 VanDerWaalsContact CG2-CZ 3.4Å; W266-F279 HydrophobicContact CB-CD2 3.85Å; W266-F279 HydrophobicContact CB-CE2 4.3Å; W266-F279 HydrophobicContact CB-CG 4.45Å; W266-F279 AromaticContact CD1-CD2 3.67Å; W266-F279 HydrophobicContact CD2-CB 3.87Å; W266-F279 AromaticContact CD2-CD2 3.61Å; W266-F279 HydrophobicContact CD2-CD2 3.61Å; W266-F279 HydrophobicContact CD2-CG 4.18Å; W266-F279 AromaticContact CE2-CD2 4Å; W266-F279 HydrophobicContact CE3-CB 3.57Å; W266-F279 HydrophobicContact CE3-CD2 4.22Å; W266-F279 HydrophobicContact CE3-CG 4.33Å; W266-F279 HydrophobicContact CG-CB 4.41Å; W266-F279 AromaticContact CG-CD2 3.42Å; W266-F279 HydrophobicContact CG-CD2 3.42Å; W266-F279 VanDerWaalsContact CG-CD2 3.42Å; W266-F279 HydrophobicContact CG-CE2 4.06Å; W266-F279 HydrophobicContact CG-CG 4.24Å; W266-F279 HydrophobicContact CZ3-CB 3.96Å; V268-F279 HydrophobicContact CG1-CB 4.34Å; N275-F279 VanDerWaalsContact O-CB 3.25Å; N275-F279 WeakPolarHBondContact O-CB 3.36Å; N275-F279 PolarHBondContact O-N 3.29Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.02Å; F279-R282 WeakPolarHBondContact O-CB 3.46Å; F279-R282 PolarHBondContact O-N 3.05Å; F279-R282 VanDerWaalsContact O-N 3.13Å; F279-V283 HydrophobicContact CD2-CG2 4.17Å; F279-V283 HydrophobicContact CE1-CG2 4.41Å; F279-V283 HydrophobicContact CE2-CG2 3.71Å; F279-V283 HydrophobicContact CZ-CG2 3.84Å; F279-V283 WeakPolarHBondContact O-CG2 3.49Å; F279-V283 PolarHBondContact O-N 3.09Å
280F98.2Very high97.2Very high0 Ų028.2 Ų28.20%016%0.156CC..Hα-helixtrans-69.1-26.5-178.4-81.9-73.8000113.3L139 F143 I176 I200 V276 A284L139-F280 HydrophobicContact CD1-CE2 4.03Å; L139-F280 HydrophobicContact CG-CE2 3.96Å; L139-F280 HydrophobicContact CG-CZ 4.28Å; F143-F280 HydrophobicContact CB-CD2 3.54Å; F143-F280 HydrophobicContact CB-CE2 3.6Å; F143-F280 HydrophobicContact CB-CG 4.31Å; F143-F280 HydrophobicContact CB-CZ 4.42Å; F143-F280 HydrophobicContact CD1-CB 3.94Å; F143-F280 AromaticContact CD1-CD1 3.91Å; F143-F280 HydrophobicContact CD1-CD1 3.91Å; F143-F280 AromaticContact CD1-CD2 3.7Å; F143-F280 HydrophobicContact CD1-CD2 3.7Å; F143-F280 HydrophobicContact CD1-CE1 4.33Å; F143-F280 HydrophobicContact CD1-CE2 4.13Å; F143-F280 AromaticContact CD1-CG 3.57Å; F143-F280 HydrophobicContact CD1-CG 3.57Å; F143-F280 HydrophobicContact CD1-CZ 4.43Å; F143-F280 HydrophobicContact CD2-CB 3.63Å; F143-F280 AromaticContact CD2-CD2 3.62Å; F143-F280 HydrophobicContact CD2-CD2 3.62Å; F143-F280 AromaticContact CD2-CG 3.83Å; F143-F280 HydrophobicContact CD2-CG 3.83Å; F143-F280 HydrophobicContact CE1-CB 3.7Å; F143-F280 HydrophobicContact CE1-CD1 4.05Å; F143-F280 HydrophobicContact CE1-CD2 4.34Å; F143-F280 AromaticContact CE1-CG 3.78Å; F143-F280 HydrophobicContact CE1-CG 3.78Å; F143-F280 HydrophobicContact CE2-CB 3.4Å; F143-F280 VanDerWaalsContact CE2-CB 3.4Å; F143-F280 HydrophobicContact CE2-CD2 4.3Å; F143-F280 HydrophobicContact CE2-CG 4.06Å; F143-F280 HydrophobicContact CG-CB 3.92Å; F143-F280 HydrophobicContact CG-CD1 4.36Å; F143-F280 AromaticContact CG-CD2 3.3Å; F143-F280 HydrophobicContact CG-CD2 3.3Å; F143-F280 AromaticContact CG-CE2 3.83Å; F143-F280 HydrophobicContact CG-CE2 3.83Å; F143-F280 AromaticContact CG-CG 3.6Å; F143-F280 HydrophobicContact CG-CG 3.6Å; F143-F280 HydrophobicContact CZ-CB 3.46Å; F143-F280 VanDerWaalsContact CZ-CB 3.46Å; F143-F280 HydrophobicContact CZ-CG 4.06Å; I176-F280 HydrophobicContact CD1-CD1 4.14Å; I176-F280 HydrophobicContact CD1-CE1 3.93Å; I176-F280 HydrophobicContact CG2-CE1 4.41Å; I200-F280 HydrophobicContact CD1-CE1 4.09Å; V276-F280 HydrophobicContact CG1-CD2 4.06Å; V276-F280 HydrophobicContact CG1-CE2 4.22Å; V276-F280 WeakPolarHBondContact O-CD2 3.39Å; V276-F280 PolarHBondContact O-N 2.84Å; V276-F280 VanDerWaalsContact O-N 3.14Å; F280-A284 VanDerWaalsContact O-CB 3.32Å; F280-A284 WeakPolarHBondContact O-CB 3.15Å; F280-A284 PolarHBondContact O-N 3.33Å
281S97.6Very high97Very high18 Ų1827.8 Ų27.813%0.12615%0.152CC..Hα-helixtrans-66.2-43.1171.3-63.50000111I84 K277 A278 F279 A284 A285I84-S281 WeakPolarHBondContact CD1-O 3.42Å; K277-S281 VanDerWaalsContact O-CB 3.29Å; K277-S281 WeakPolarHBondContact O-CB 3.36Å; K277-S281 PolarHBondContact O-N 3.43Å; K277-S281 PolarHBondContact O-OG 3.2Å; A278-S281 PolarHBondContact O-N 3.46Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.02Å; S281-A284 PolarHBondContact O-N 2.91Å; S281-A285 WeakPolarHBondContact O-CB 3.04Å; S281-A285 PolarHBondContact O-N 2.89Å
282R97.1Very high96.9Very high3 Ų323.8 Ų23.81%0.01114%0.135CC..Hα-helixtrans-59.6-47.3173.5178.167.6173.4-177.45.8111.7P88 C96 F233 E264 W266 A278 F279 A284 A285 L286P88-R282 HydrophobicContact CB-CB 4.2Å; P88-R282 WeakPolarHBondContact O-CD 3.24Å; P88-R282 PolarHBondContact O-NH1 2.91Å; C96-R282 PolarHBondContact SG-NH2 3.38Å; F233-R282 HydrophobicContact CE1-CG 4.41Å; E264-R282 WeakPolarHBondContact OE1-CG 3.29Å; E264-R282 IonicContact OE1-CZ 2.97Å; E264-R282 IonicContact OE1-NE 3.97Å; E264-R282 PolarHBondContact OE1-NE 3.1Å; E264-R282 VanDerWaalsContact OE1-NE 3.14Å; E264-R282 IonicContact OE2-CZ 3.29Å; E264-R282 IonicContact OE2-NE 2.64Å; E264-R282 PolarHBondContact OE2-NE 3Å; E264-R282 IonicContact OE2-NH2 3Å; E264-R282 PolarHBondContact OE2-NH2 3.39Å; W266-R282 HydrophobicContact CH2-CB 4.44Å; W266-R282 HydrophobicContact CZ2-CB 3.8Å; W266-R282 HydrophobicContact CZ2-CG 3.88Å; A278-R282 PolarHBondContact O-N 3.43Å; F279-R282 WeakPolarHBondContact O-CB 3.46Å; F279-R282 PolarHBondContact O-N 3.05Å; F279-R282 VanDerWaalsContact O-N 3.13Å; R282-A284 PolarHBondContact O-N 3.32Å; R282-A285 PolarHBondContact O-N 2.86Å; R282-L286 HydrophobicContact CG-CD1 4.12Å; R282-L286 WeakPolarHBondContact O-CG 3.39Å; R282-L286 PolarHBondContact O-N 2.91Å; R282-L286 VanDerWaalsContact O-N 3.13Å
283V97.8Very high96.7Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-56.3-49.4174.2170.30000111.2V126 L174 V198 F233 F279 A285 L286 A287V126-V283 HydrophobicContact CG2-CG1 4.12Å; L174-V283 HydrophobicContact CD1-CG1 4.15Å; V198-V283 HydrophobicContact CB-CG1 4.4Å; V198-V283 HydrophobicContact CG1-CG1 3.98Å; V198-V283 HydrophobicContact CG2-CG1 4.1Å; F233-V283 HydrophobicContact CD2-CG2 4.16Å; F233-V283 HydrophobicContact CE1-CG2 4.23Å; F233-V283 HydrophobicContact CE2-CG2 3.83Å; F233-V283 HydrophobicContact CG-CG2 4.49Å; F233-V283 HydrophobicContact CZ-CG2 3.86Å; F279-V283 HydrophobicContact CD2-CG2 4.17Å; F279-V283 HydrophobicContact CE1-CG2 4.41Å; F279-V283 HydrophobicContact CE2-CG2 3.71Å; F279-V283 HydrophobicContact CZ-CG2 3.84Å; F279-V283 WeakPolarHBondContact O-CG2 3.49Å; F279-V283 PolarHBondContact O-N 3.09Å; V283-A285 PolarHBondContact O-N 3.2Å; V283-L286 PolarHBondContact O-N 2.87Å; V283-A287 WeakPolarHBondContact O-CB 3.46Å; V283-A287 PolarHBondContact O-N 2.7Å; V283-A287 VanDerWaalsContact O-N 3.09Å
284A97.6Very high96.5Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-62.5-44.3-178.500000112.3I84 F165 I167 L174 F280 S281 R282 F288I84-A284 HydrophobicContact CD1-CB 4.15Å; F165-A284 HydrophobicContact CD1-CB 3.99Å; F165-A284 HydrophobicContact CD2-CB 4.19Å; F165-A284 HydrophobicContact CE1-CB 3.72Å; F165-A284 HydrophobicContact CE2-CB 3.96Å; F165-A284 HydrophobicContact CG-CB 4.2Å; F165-A284 HydrophobicContact CZ-CB 3.68Å; I167-A284 HydrophobicContact CD1-CB 3.96Å; L174-A284 HydrophobicContact CD1-CB 3.82Å; L174-A284 HydrophobicContact CG-CB 4.33Å; F280-A284 VanDerWaalsContact O-CB 3.32Å; F280-A284 WeakPolarHBondContact O-CB 3.15Å; F280-A284 PolarHBondContact O-N 3.33Å; S281-A284 PolarHBondContact O-N 2.91Å; R282-A284 PolarHBondContact O-N 3.32Å; A284-F288 WeakPolarHBondContact O-CB 3.21Å; A284-F288 PolarHBondContact O-N 2.9Å
285A96.7Very high96.2Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-64.8-41.5-178.900000112.8F87 P88 F103 S281 R282 V283 E289F87-A285 HydrophobicContact CD2-CB 4.19Å; F87-A285 HydrophobicContact CE2-CB 4.07Å; P88-A285 HydrophobicContact CG-CB 3.86Å; F103-A285 HydrophobicContact CE1-CB 4.16Å; F103-A285 HydrophobicContact CZ-CB 4.3Å; S281-A285 WeakPolarHBondContact O-CB 3.04Å; S281-A285 PolarHBondContact O-N 2.89Å; R282-A285 PolarHBondContact O-N 2.86Å; V283-A285 PolarHBondContact O-N 3.2Å; A285-E289 WeakPolarHBondContact O-CB 3.13Å; A285-E289 PolarHBondContact O-N 3.22Å
286L96Very high95.9Very high13 Ų1319 Ų197%0.06810%0.1CC..Hα-helixtrans-66.8-47.3177.5-74.7165.4000111.6F87 F231 F233 R282 V283 F288 E289 Q290F87-L286 HydrophobicContact CZ-CD2 3.81Å; F87-L286 HydrophobicContact CZ-CG 4.31Å; F231-L286 HydrophobicContact CD1-CB 4.47Å; F231-L286 HydrophobicContact CD2-CB 4.47Å; F231-L286 HydrophobicContact CE1-CB 4.32Å; F231-L286 HydrophobicContact CE1-CD2 4.27Å; F231-L286 HydrophobicContact CE2-CB 4.31Å; F231-L286 HydrophobicContact CZ-CB 4.24Å; F233-L286 HydrophobicContact CZ-CD1 3.73Å; R282-L286 HydrophobicContact CG-CD1 4.12Å; R282-L286 WeakPolarHBondContact O-CG 3.39Å; R282-L286 PolarHBondContact O-N 2.91Å; R282-L286 VanDerWaalsContact O-N 3.13Å; V283-L286 PolarHBondContact O-N 2.87Å; L286-F288 VanDerWaalsContact C-N 3.3Å; L286-F288 PolarHBondContact O-N 2.97Å; L286-E289 PolarHBondContact O-N 3.25Å; L286-Q290 PolarHBondContact O-N 2.84Å
287A96.6Very high95.5Very high1 Ų124.6 Ų24.61%0.00813%0.126CC..Hα-helixtrans-62.6-38.8177.100000112Y172 L174 V198 V283 S291Y172-A287 HydrophobicContact CE1-CB 4.42Å; Y172-A287 WeakPolarHBondContact OH-CB 3.31Å; Y172-A287 PolarHBondContact OH-O 2.84Å; Y172-A287 VanDerWaalsContact OH-O 3.13Å; L174-A287 HydrophobicContact CD2-CB 4.32Å; V198-A287 HydrophobicContact CG2-CB 4.09Å; V283-A287 WeakPolarHBondContact O-CB 3.46Å; V283-A287 PolarHBondContact O-N 2.7Å; V283-A287 VanDerWaalsContact O-N 3.09Å; A287-S291 WeakPolarHBondContact O-CB 3.47Å; A287-S291 PolarHBondContact O-N 3.03Å; A287-S291 PolarHBondContact O-OG 2.85Å; A287-S291 VanDerWaalsContact O-OG 3.11Å
288F96.7Very high95.1Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-63.4-50.9175.8170.2-98.9000111.8F103 V107 V119 I167 I170 Y172 A284 L286 Q290 S291 V292F103-F288 HydrophobicContact CE1-CD1 4.14Å; V107-F288 HydrophobicContact CG1-CE1 3.97Å; V119-F288 HydrophobicContact CG1-CD2 3.85Å; V119-F288 HydrophobicContact CG1-CE2 3.7Å; I167-F288 HydrophobicContact CB-CD1 4.1Å; I167-F288 HydrophobicContact CB-CD2 4.24Å; I167-F288 HydrophobicContact CB-CE1 4.26Å; I167-F288 HydrophobicContact CB-CE2 4.4Å; I167-F288 HydrophobicContact CB-CG 4.08Å; I167-F288 HydrophobicContact CB-CZ 4.4Å; I167-F288 HydrophobicContact CD1-CB 3.76Å; I167-F288 HydrophobicContact CD1-CD2 4.45Å; I167-F288 HydrophobicContact CD1-CG 4.07Å; I167-F288 HydrophobicContact CG2-CB 4.44Å; I167-F288 HydrophobicContact CG2-CD1 3.53Å; I167-F288 HydrophobicContact CG2-CE1 3.82Å; I167-F288 HydrophobicContact CG2-CG 3.93Å; I167-F288 HydrophobicContact CG2-CZ 4.43Å; I170-F288 HydrophobicContact CB-CE2 3.94Å; I170-F288 HydrophobicContact CB-CZ 3.98Å; I170-F288 HydrophobicContact CG1-CZ 4.22Å; I170-F288 HydrophobicContact CG2-CE2 3.94Å; I170-F288 HydrophobicContact CG2-CZ 4.36Å; Y172-F288 HydrophobicContact CD1-CB 3.98Å; Y172-F288 HydrophobicContact CD1-CD2 4.36Å; Y172-F288 HydrophobicContact CD2-CB 4.44Å; Y172-F288 AromaticContact CD2-CD2 3.73Å; Y172-F288 HydrophobicContact CD2-CD2 3.73Å; Y172-F288 HydrophobicContact CE1-CB 3.83Å; Y172-F288 HydrophobicContact CE2-CB 4.31Å; Y172-F288 HydrophobicContact CE2-CD2 4.21Å; Y172-F288 HydrophobicContact CG-CB 4.25Å; Y172-F288 AromaticContact CG-CD2 3.79Å; Y172-F288 HydrophobicContact CG-CD2 3.79Å; Y172-F288 HydrophobicContact CG-CG 4.48Å; Y172-F288 PolarHBondContact OH-N 3.08Å; A284-F288 WeakPolarHBondContact O-CB 3.21Å; A284-F288 PolarHBondContact O-N 2.9Å; L286-F288 VanDerWaalsContact C-N 3.3Å; L286-F288 PolarHBondContact O-N 2.97Å; F288-Q290 VanDerWaalsContact C-N 3.32Å; F288-Q290 PolarHBondContact O-N 3.13Å; F288-S291 WeakPolarHBondContact O-CB 3.21Å; F288-S291 PolarHBondContact O-N 3.19Å; F288-S291 VanDerWaalsContact O-N 3.09Å; F288-V292 HydrophobicContact CD1-CG2 4.39Å; F288-V292 HydrophobicContact CD2-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 3.97Å; F288-V292 HydrophobicContact CE2-CG2 3.84Å; F288-V292 HydrophobicContact CZ-CG2 3.68Å; F288-V292 WeakPolarHBondContact O-CG2 3.45Å; F288-V292 PolarHBondContact O-N 3.44Å
289E95Very high94.5Very high10 Ų1027.8 Ų27.85%0.04713%0.128CC..Hα-helixtrans-55.1-48.9178.4167.1153.7-59.900111R100 F103 H104 V107 A285 L286 S291 V292 L293R100-E289 IonicContact CZ-OE2 3.88Å; R100-E289 VanDerWaalsContact CZ-OE2 3.31Å; R100-E289 IonicContact NH1-OE2 2.77Å; R100-E289 PolarHBondContact NH1-OE2 3.46Å; R100-E289 IonicContact NH2-OE1 3.8Å; R100-E289 IonicContact NH2-OE2 3.41Å; R100-E289 PolarHBondContact NH2-OE2 3.43Å; R100-E289 VanDerWaalsContact NH2-OE2 3.09Å; F103-E289 VanDerWaalsContact CA-OE1 3.24Å; F103-E289 WeakPolarHBondContact CA-OE1 3.3Å; H104-E289 HydrophobicContact CB-CG 4.36Å; H104-E289 PolarHBondContact N-OE1 2.84Å; V107-E289 HydrophobicContact CG2-CG 4.1Å; A285-E289 WeakPolarHBondContact O-CB 3.13Å; A285-E289 PolarHBondContact O-N 3.22Å; L286-E289 PolarHBondContact O-N 3.25Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.96Å; E289-V292 PolarHBondContact O-N 3.25Å; E289-L293 HydrophobicContact CG-CD1 4.11Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.25Å
290Q94.8Very high93.8Very high73 Ų7330.8 Ų30.834%0.34115%0.148SC..Hα-helixtrans-60.3-41.8177.1-173.662.219.700112.1F231 L286 F288 V292 L293 Q294F231-Q290 HydrophobicContact CE2-CB 3.72Å; F231-Q290 HydrophobicContact CE2-CG 4.11Å; F231-Q290 HydrophobicContact CZ-CB 4Å; F231-Q290 HydrophobicContact CZ-CG 4.41Å; L286-Q290 PolarHBondContact O-N 2.84Å; F288-Q290 VanDerWaalsContact C-N 3.32Å; F288-Q290 PolarHBondContact O-N 3.13Å; Q290-V292 VanDerWaalsContact C-N 3.35Å; Q290-V292 PolarHBondContact O-N 3Å; Q290-L293 PolarHBondContact O-N 3.04Å; Q290-Q294 WeakPolarHBondContact O-CB 3.47Å; Q290-Q294 VanDerWaalsContact O-CG 3.3Å; Q290-Q294 WeakPolarHBondContact O-CG 3.29Å; Q290-Q294 PolarHBondContact O-N 3.4Å
291S94.9Very high93.1Very high2 Ų233.7 Ų33.71%0.01417%0.169CC..Hα-helixtrans-63.2-39.4177.7-77.40000112.9K122 A287 F288 E289 D295K122-S291 PolarHBondContact NZ-OG 3.29Å; A287-S291 WeakPolarHBondContact O-CB 3.47Å; A287-S291 PolarHBondContact O-N 3.03Å; A287-S291 PolarHBondContact O-OG 2.85Å; A287-S291 VanDerWaalsContact O-OG 3.11Å; F288-S291 WeakPolarHBondContact O-CB 3.21Å; F288-S291 PolarHBondContact O-N 3.19Å; F288-S291 VanDerWaalsContact O-N 3.09Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.96Å; S291-D295 PolarHBondContact O-N 3.31Å; S291-D295 VanDerWaalsContact O-N 3.13Å
292V95.1Very high92.2Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-67.3-45.1175.81780000111.1V107 A110 T116 V119 F288 E289 Q290 Q294 D295 L296V107-V292 HydrophobicContact CB-CG1 4.27Å; V107-V292 HydrophobicContact CG1-CB 4.14Å; V107-V292 HydrophobicContact CG1-CG1 4.11Å; V107-V292 HydrophobicContact CG1-CG2 4.25Å; V107-V292 HydrophobicContact CG2-CB 3.94Å; V107-V292 HydrophobicContact CG2-CG1 3.87Å; A110-V292 HydrophobicContact CB-CG1 4.15Å; T116-V292 HydrophobicContact CG2-CG1 4.29Å; T116-V292 HydrophobicContact CG2-CG2 4.32Å; V119-V292 HydrophobicContact CB-CG2 4.31Å; V119-V292 HydrophobicContact CG1-CG2 3.86Å; V119-V292 HydrophobicContact CG2-CB 4.46Å; V119-V292 HydrophobicContact CG2-CG2 3.98Å; F288-V292 HydrophobicContact CD1-CG2 4.39Å; F288-V292 HydrophobicContact CD2-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 3.97Å; F288-V292 HydrophobicContact CE2-CG2 3.84Å; F288-V292 HydrophobicContact CZ-CG2 3.68Å; F288-V292 WeakPolarHBondContact O-CG2 3.45Å; F288-V292 PolarHBondContact O-N 3.44Å; E289-V292 PolarHBondContact O-N 3.25Å; Q290-V292 VanDerWaalsContact C-N 3.35Å; Q290-V292 PolarHBondContact O-N 3Å; V292-Q294 PolarHBondContact O-N 2.96Å; V292-D295 PolarHBondContact O-N 3.27Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 HydrophobicContact CG1-CG 4.27Å; V292-L296 VanDerWaalsContact O-CG 3.29Å; V292-L296 WeakPolarHBondContact O-CG 3.4Å; V292-L296 PolarHBondContact O-N 2.99Å
293L93.9Very high91Very high26 Ų2644.5 Ų44.514%0.13622%0.219CC..Hα-helixtrans-59.7-46.6178.6-69.1172.8000111.6Q106 V107 E289 Q290 D295 L296 E297Q106-L293 HydrophobicContact CB-CD2 4.35Å; V107-L293 HydrophobicContact CG2-CD2 3.75Å; V107-L293 HydrophobicContact CG2-CG 3.76Å; E289-L293 HydrophobicContact CG-CD1 4.11Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.25Å; Q290-L293 PolarHBondContact O-N 3.04Å; L293-D295 VanDerWaalsContact C-N 3.34Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-L296 PolarHBondContact O-N 3.08Å; L293-E297 WeakPolarHBondContact O-CG 3.25Å; L293-E297 PolarHBondContact O-N 3.11Å
294Q92.2Very high89.6Confident56 Ų5651.4 Ų51.426%0.26226%0.255SS..Hα-helixtrans-60.3-40.8176.5-73175.2-11.900112.8Q290 V292 R298Q290-Q294 WeakPolarHBondContact O-CB 3.47Å; Q290-Q294 VanDerWaalsContact O-CG 3.3Å; Q290-Q294 WeakPolarHBondContact O-CG 3.29Å; Q290-Q294 PolarHBondContact O-N 3.4Å; V292-Q294 PolarHBondContact O-N 2.96Å; Q294-R298 WeakPolarHBondContact O-CB 3.5Å; Q294-R298 WeakPolarHBondContact O-CD 3.41Å; Q294-R298 WeakPolarHBondContact O-CG 3.5Å; Q294-R298 PolarHBondContact O-N 3.15Å
295D91.4Very high87.8Confident11 Ų1159.1 Ų59.16%0.05929%0.291CS..Hα-helixtrans-66.8-40.1177.5-109.142.7000111.5T118 V119 S291 V292 L293 R298 Q299T118-D295 PolarHBondContact N-OD2 3.43Å; T118-D295 PolarHBondContact OG1-OD2 3.46Å; V119-D295 HydrophobicContact CG2-CB 3.99Å; S291-D295 PolarHBondContact O-N 3.31Å; S291-D295 VanDerWaalsContact O-N 3.13Å; V292-D295 PolarHBondContact O-N 3.27Å; L293-D295 VanDerWaalsContact C-N 3.34Å; L293-D295 PolarHBondContact O-N 2.94Å; D295-R298 PolarHBondContact O-N 2.61Å; D295-Q299 VanDerWaalsContact O-CG 3.29Å; D295-Q299 WeakPolarHBondContact O-CG 3.29Å; D295-Q299 PolarHBondContact O-N 3.4Å
296L91Very high86Confident38 Ų3865.3 Ų65.320%0.19933%0.329CS..Hα-helixtrans-64.5-43.1176.9-69.3173.9000111.8Q106 A110 V292 L293 Q299 S300Q106-L296 HydrophobicContact CB-CD1 4.26Å; A110-L296 HydrophobicContact CB-CD1 4.09Å; A110-L296 HydrophobicContact CB-CD2 4.26Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 HydrophobicContact CG1-CG 4.27Å; V292-L296 VanDerWaalsContact O-CG 3.29Å; V292-L296 WeakPolarHBondContact O-CG 3.4Å; V292-L296 PolarHBondContact O-N 2.99Å; L293-L296 PolarHBondContact O-N 3.08Å; L296-Q299 PolarHBondContact O-N 3.03Å; L296-S300 PolarHBondContact O-N 3.24Å
297E90.8Very high83.9Confident118 Ų11867.6 Ų67.655%0.55136%0.356SS*.Hα-helixtrans-61-48.5175.6-74.5171.7-174.500111L293 Q299 S300 S301L293-E297 WeakPolarHBondContact O-CG 3.25Å; L293-E297 PolarHBondContact O-N 3.11Å; E297-Q299 VanDerWaalsContact C-N 3.31Å; E297-Q299 PolarHBondContact O-N 3.34Å; E297-S300 PolarHBondContact O-N 3.01Å; E297-S300 VanDerWaalsContact O-N 3.11Å; E297-S300 PolarHBondContact O-OG 3.31Å; E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 3Å
298R88.4Confident81.7Confident159 Ų15975.2 Ų75.260%0.640%0.396SS*.Hα-helixtrans-57.4-42.8177.2-74.1169.2-179.3-173-2.7112.5Q294 D295 S301 A302Q294-R298 WeakPolarHBondContact O-CB 3.5Å; Q294-R298 WeakPolarHBondContact O-CD 3.41Å; Q294-R298 WeakPolarHBondContact O-CG 3.5Å; Q294-R298 PolarHBondContact O-N 3.15Å; D295-R298 PolarHBondContact O-N 2.61Å; R298-S301 PolarHBondContact O-N 3.03Å; R298-A302 WeakPolarHBondContact O-CB 3.48Å; R298-A302 PolarHBondContact O-N 3.12Å
299Q85.1Confident79.3Confident56 Ų5678.5 Ų78.526%0.26243%0.43SS..Hα-helixtrans-65.9-37.9177.2-73175.81100112.6G117 D295 L296 E297 R303G117-Q299 VanDerWaalsContact CA-NE2 3.33Å; D295-Q299 VanDerWaalsContact O-CG 3.29Å; D295-Q299 WeakPolarHBondContact O-CG 3.29Å; D295-Q299 PolarHBondContact O-N 3.4Å; L296-Q299 PolarHBondContact O-N 3.03Å; E297-Q299 VanDerWaalsContact C-N 3.31Å; E297-Q299 PolarHBondContact O-N 3.34Å; Q299-R303 PolarHBondContact O-N 3.45Å; Q299-R303 VanDerWaalsContact O-N 3.12Å
300S83.9Confident77Confident62 Ų6286.6 Ų86.643%0.43447%0.468SS..Hα-helixtrans-64.8-45.5177.374.10000111.5L296 E297 A302 R303 L304L296-S300 PolarHBondContact O-N 3.24Å; E297-S300 PolarHBondContact O-N 3.01Å; E297-S300 VanDerWaalsContact O-N 3.11Å; E297-S300 PolarHBondContact O-OG 3.31Å; S300-A302 PolarHBondContact O-N 2.67Å; S300-R303 PolarHBondContact O-N 3.29Å; S300-L304 WeakPolarHBondContact O-CG 3.49Å; S300-L304 PolarHBondContact O-N 3.49Å
301S82.9Confident74.5Confident62 Ų6290.5 Ų90.543%0.43449%0.49SS..Hα-helixtrans-65.6-39177.7-57.40000112.4E297 R298 R303 L304 Q305E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 3Å; R298-S301 PolarHBondContact O-N 3.03Å; S301-R303 PolarHBondContact O-N 3.38Å; S301-L304 PolarHBondContact O-N 3.5Å; S301-Q305 PolarHBondContact O-N 3.42Å
302A78.8Confident72.2Confident56 Ų5697.4 Ų97.446%0.46353%0.525SS..Hα-helixtrans-65.3-36.8176.500000112.6R298 S300 Q305 V306R298-A302 WeakPolarHBondContact O-CB 3.48Å; R298-A302 PolarHBondContact O-N 3.12Å; S300-A302 PolarHBondContact O-N 2.67Å; A302-Q305 PolarHBondContact O-N 3.49Å; A302-V306 WeakPolarHBondContact O-CG2 3.39Å
303R72.4Confident69.7Low192 Ų192107 Ų10773%0.72556%0.562SS**Hα-helixtrans-67.4-34.4176.7-81.8-176.7179.3156.62.2113.3Q299 S300 S301 Q305 V306Q299-R303 PolarHBondContact O-N 3.45Å; Q299-R303 VanDerWaalsContact O-N 3.12Å; S300-R303 PolarHBondContact O-N 3.29Å; S301-R303 PolarHBondContact O-N 3.38Å; R303-Q305 VanDerWaalsContact C-N 3.27Å; R303-Q305 PolarHBondContact O-N 3.48Å; R303-V306 PolarHBondContact O-N 3.44Å
304L68.3Low67.3Low144 Ų144114.3 Ų114.375%0.75460%0.597SS**Hα-helixtrans-68.7-26.3179-68.7168.4000112.4S300 S301S300-L304 WeakPolarHBondContact O-CG 3.49Å; S300-L304 PolarHBondContact O-N 3.49Å; S301-L304 PolarHBondContact O-N 3.5Å
305Q59.2Low64.7Low163 Ų163119.2 Ų119.276%0.76262%0.62SS**Hα-helixtrans-83.3-13.6179.9-66.7-179.218.400114.4S301 A302 R303 G307S301-Q305 PolarHBondContact O-N 3.42Å; A302-Q305 PolarHBondContact O-N 3.49Å; R303-Q305 VanDerWaalsContact C-N 3.27Å; R303-Q305 PolarHBondContact O-N 3.48Å; Q305-G307 PolarHBondContact O-N 3.39Å
306V57.9Low62.2Low129 Ų129122.6 Ų122.678%0.78266%0.658SS**THydrogen-bonded Turntrans-84.23.1-179.1178.50000112.3A302 R303A302-V306 WeakPolarHBondContact O-CG2 3.39Å; R303-V306 PolarHBondContact O-N 3.44Å
307G53.3Low59.5Low62 Ų62126.1 Ų126.164%0.63969%0.685SS**THydrogen-bonded Turntrans-102.3-12.7-174.300000117.7Q305Q305-G307 PolarHBondContact O-N 3.39Å
308D50.1Low57.2Low161 Ų161126 Ų12686%0.86170%0.695SS**  trans-103.234.9-174.5-95.6-12.3000113.2E310D308-E310 PolarHBondContact O-N 3.14Å; D308-E310 VanDerWaalsContact O-N 3.14Å
309G46.1Very low54.7Low68 Ų68124.2 Ų124.270%0.70170%0.704SS**  trans-75.794.516500000109.5L311G309-L311 PolarHBondContact O-N 2.93Å
310E46.3Very low52.3Low180 Ų180131 Ų13184%0.84174%0.735SS**  trans-49.8109.6169.5-167.6173.9-170.300109.2D308 I312D308-E310 PolarHBondContact O-N 3.14Å; D308-E310 VanDerWaalsContact O-N 3.14Å; E310-I312 PolarHBondContact O-N 2.98Å
311L43.1Very low49.9Very low155 Ų155134 Ų13481%0.81275%0.751SS**  trans-64.497.9174.8-169.393.5000107G309 R313G309-L311 PolarHBondContact O-N 2.93Å; L311-R313 VanDerWaalsContact C-N 3.28Å; L311-R313 PolarHBondContact O-N 3.11Å
312I46.3Very low47.6Very low148 Ų148140.7 Ų140.776%0.75978%0.776SS**  trans-59.898.2170.6-60.2177.9000107.1E310 M314E310-I312 PolarHBondContact O-N 2.98Å; I312-M314 PolarHBondContact O-N 2.78Å; I312-M314 VanDerWaalsContact O-N 3.11Å
313R42.5Very low45.3Very low202 Ų202146.6 Ų146.676%0.76279%0.794SS**  trans-75.495.6173.8-161.6175.7175.5174.4-3.7106.2L311 E315L311-R313 VanDerWaalsContact C-N 3.28Å; L311-R313 PolarHBondContact O-N 3.11Å; R313-E315 VanDerWaalsContact C-N 3.31Å; R313-E315 PolarHBondContact O-N 2.93Å
314M43.1Very low43.4Very low179 Ų179142.1 Ų142.188%0.88279%0.792SS**  trans-66.593.7168.9-79.3-157.2-92.100108.5I312 G316I312-M314 PolarHBondContact O-N 2.78Å; I312-M314 VanDerWaalsContact O-N 3.11Å; M314-G316 PolarHBondContact O-N 3.37Å
315E37.1Very low41.6Very low159 Ų159144.8 Ų144.874%0.74380%0.797SS**  trans-74.1111.2161.7-73.3-167.8159.400108.2R313R313-E315 VanDerWaalsContact C-N 3.31Å; R313-E315 PolarHBondContact O-N 2.93Å
316G39.2Very low40.5Very low82 Ų82148.4 Ų148.485%0.84580%0.804SS**  trans-73.2122.9169.800000110.2M314M314-G316 PolarHBondContact O-N 3.37Å
317S35Very low39.7Very low111 Ų111147.7 Ų147.778%0.77680%0.802SS**  trans-110.2138.4158.950.30000109.1
318P41.3Very low38.9Very low116 Ų116149.6 Ų149.675%0.75381%0.806SS**PPolyproline II helixtrans-80.1162-177.333.7-32.9000111.2
319P37.6Very low38.2Very low121 Ų121146.3 Ų146.379%0.78680%0.795SS**PPolyproline II helixtrans-84.5125-176.933-29.3000110.6
320E33.7Very low37.9Very low198 Ų198151.4 Ų151.493%0.92581%0.805SS**PPolyproline II helixtrans-92.4126.9159.3-78.7-169.2153.900109.8
321T34.3Very low37.4Very low125 Ų125146.3 Ų146.377%0.76780%0.802SS**PPolyproline II helixtrans-93.8132176.3-30.30000107.6
322Q33.2Very low37.1Very low204 Ų204145.2 Ų145.295%0.95381%0.805SS**  trans-163141.6147.4-111.6171.749.800113.4
323E31.3Very low37Very low179 Ų179148 Ų14884%0.83684%0.836SS**  trans-84.7157.1-165.6-78.2175.4116.600116.2
324S31.7Very low36.7Very low99 Ų99145.4 Ų145.469%0.69284%0.839SS**  trans77.8116.614179.30000120
325K31.6Very low36.4Very low199 Ų199143.6 Ų143.687%0.86584%0.837SS**  178128.896.6-93.6172.5-178.81760110.8
326R34.8Very low36.3Very low240 Ų240142.7 Ų142.791%0.90684%0.843SS**  trans-75.2164.2160-58-179.4169.8178.1-3.3109.2
327P43Very low36.2Very low114 Ų114146.3 Ų146.374%0.7484%0.842SS**  -147.2161.18037.3-18.4000116.4
328S35.1Very low36.3Very low102 Ų102148.5 Ų148.571%0.71385%0.846SS**  trans49.1141.2141.361.60000120.4
329S36Very low35.9Very low91 Ų91150.7 Ų150.764%0.63685%0.853SS**  cis170.4158.810.641.80000107.6
330L40.5Very low35.8Very low175 Ų175152.8 Ų152.892%0.91686%0.857SS**  trans73.7134.7161.8-59.8133.2000116.6
331G34.9Very low36Very low74 Ų74149.3 Ų149.376%0.76385%0.852SS**  cis-177156.83.800000110.1
332C37.3Very low36.1Very low132 Ų132151.3 Ų151.389%0.89286%0.859SS**  trans-63.9149.5177-78.30000114.4
333C43.7Very low36.4Very low207 Ų207146.5 Ų146.5100%1.39985%0.851SS**  -162.10103.5-91.50000109.1

Retrieved 333 of 333 residues in 1862.4 ms (Link to these results)