A0A087XU48_POEFO Loading...

Sciellin

AlphaFold DB , UniProt , Accession A0A087XU48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low46.9Very low245 Ų245148.5 Ų148.5100%1.20783%0.831SS**  0129.90-74.3147.8136.100107.4
2S40.5Very low47.1Very low121 Ų121148.1 Ų148.185%0.84682%0.824SS**  trans-130.2130.2-172.1-52.80000111
3S42.3Very low47Very low95 Ų95146.2 Ų146.266%0.66481%0.805SS**  trans-173.1168.5163.437.80000110.7
4Y40.9Very low46.7Very low211 Ų211142.4 Ų142.483%0.82778%0.783SS**  trans73.977.7170.5-47.1-66.7000119
5S48.4Very low46.9Very low119 Ų119138.6 Ų138.683%0.83277%0.77SS**  -175.382.8129.8-85.80000113.9
6T52.6Low47.2Very low136 Ų136141.6 Ų141.683%0.83477%0.773SS**  trans-158.861.7169.915.30000112
7S51.2Low47.5Very low119 Ų119141.2 Ų141.283%0.83276%0.762SS**SBendtrans-143.7-2.6-177.1-45.20000116.8
8K49.1Very low47.9Very low195 Ų195142.7 Ų142.785%0.84876%0.76SS**SBendtrans-109.9-7.1-172.5-116.9178.3-179.1178.90116.4
9T50.9Low48.2Very low125 Ų125141.6 Ų141.677%0.76776%0.76SS**SBendtrans-92.8-23.6-176.644.30000114.7A11T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 2.86Å
10K49Very low48.3Very low188 Ų188140.1 Ų140.182%0.81776%0.76SS**THydrogen-bonded Turntrans-73.7-13.9179.6-101.5-173.4174.5-176.80115.2
11A49.5Very low48.5Very low80 Ų80141.4 Ų141.466%0.66177%0.766SS**THydrogen-bonded Turntrans-87.7-2.3-169.100000115.8T9T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 2.86Å
12L48.9Very low48.9Very low143 Ų143137.5 Ų137.575%0.74975%0.749SS**THydrogen-bonded Turntrans-119-8.4-174.4-84.5168000115.4
13E45.9Very low49.6Very low124 Ų124141.7 Ų141.758%0.57975%0.752SS**THydrogen-bonded Turntrans-91.9-29.9-178.7-148.4-167.7118.500113.5S15 K16 K17E13-S15 PolarHBondContact O-N 3.28Å; E13-K16 PolarHBondContact O-N 2.92Å; E13-K17 VanDerWaalsContact OE1-CE 3.32Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å
14D43.3Very low49.8Very low93 Ų93142 Ų14250%0.49775%0.746SS.*G310 helixtrans-68-19.9179.4-80.2-21.5000113.7K16D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.41Å
15S49.6Very low50.3Low85 Ų85140.3 Ų140.359%0.59475%0.752SS**G310 helixtrans-73.6-12.5179.9-56.50000114E13E13-S15 PolarHBondContact O-N 3.28Å
16K50.8Low50.5Low186 Ų186139 Ų13981%0.80974%0.743SS**G310 helixtrans-100.9-1.2178.5-77.8-171.2173.4-176.60114.7E13 D14E13-K16 PolarHBondContact O-N 2.92Å; D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.41Å
17K51.9Low50.2Low136 Ų136145 Ų14559%0.59175%0.75SS**SBendtrans-109.210.2-173.3-57.1178.3-171.3175.20113.6E13E13-K17 VanDerWaalsContact OE1-CE 3.32Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.11Å
18K55.3Low50Low167 Ų167145.9 Ų145.973%0.72674%0.744SS**SBendtrans-131.313.5-168.7-62-178.2-177.6174.80114.8
19T53.8Low49.8Very low123 Ų123148.4 Ų148.476%0.75575%0.748SS**SBendtrans-115.325.2-173.961.60000113.6
20S49.2Very low49.6Very low110 Ų110150.9 Ų150.977%0.76975%0.749SS**SBendtrans-155.866.9-177.3-179.20000112.7
21L52.7Low49.4Very low168 Ų168147.4 Ų147.488%0.8874%0.744SS**  trans-171.761.3159-107.8167.9000110.8
22L50.3Low49.5Very low163 Ų163151.3 Ų151.385%0.85375%0.753SS**  trans-140.196.8165.1-79.9173.9000106.9
23K56Low49.7Very low210 Ų210150.3 Ų150.391%0.91375%0.749SS**  trans-153.433.6-175.7-133.3168.3-172.4175.60112.2
24D47.3Very low50.1Low100 Ų100152.6 Ų152.654%0.53576%0.759SS.*  trans-139.982-165.349.7-45000109S26D24-S26 PolarHBondContact O-N 3.01Å
25N51.1Low50.5Low176 Ų176156.5 Ų156.594%0.94178%0.78SS**  trans-72.961.8177-71.4-5.2000111.3
26S53.1Low51Low93 Ų93159.9 Ų159.965%0.6579%0.787SS**  trans-133.757-167.6-66.50000113.7D24 I28D24-S26 PolarHBondContact O-N 3.01Å; S26-I28 VanDerWaalsContact C-N 3.35Å; S26-I28 PolarHBondContact O-N 3.29Å
27W44.8Very low51.3Low260 Ų260156.8 Ų156.899%0.98579%0.786SS**  trans-96.551.6167-75.3-6.6000112.8
28I47.5Very low51.4Low139 Ų139155.8 Ų155.871%0.71379%0.791SS**  trans-131.3117.5159.1-68.1177.9000106.9S26 K30S26-I28 VanDerWaalsContact C-N 3.35Å; S26-I28 PolarHBondContact O-N 3.29Å; I28-K30 HydrophobicContact CG2-CG 4.32Å; I28-K30 PolarHBondContact O-N 2.88Å
29R44.8Very low51.4Low247 Ų247155.4 Ų155.493%0.93280%0.796SS**  trans-74.3106.2163.9-67.9176.869.51762107.1
30K46.9Very low51.3Low177 Ų177160 Ų16077%0.7780%0.8SS**  trans-75.6151.9160.4-64.5-175.3178.7-176.80108.4I28I28-K30 HydrophobicContact CG2-CG 4.32Å; I28-K30 PolarHBondContact O-N 2.88Å
31T44.9Very low51.7Low116 Ų116159.1 Ų159.171%0.71279%0.787SS**  trans-79.3138.2159.540.90000108.4D33T31-D33 PolarHBondContact O-N 3.38Å
32D52.2Low52Low161 Ų161157.5 Ų157.586%0.86179%0.786SS**  trans-83.385.7173.9-57.7-73.7000109
33D52.3Low52.1Low123 Ų123154.6 Ų154.666%0.65877%0.772SS**  trans-142.9152173.2-68.5-69.1000109.1T31T31-D33 PolarHBondContact O-N 3.38Å
34E54.5Low52Low171 Ų171153.1 Ų153.180%0.79977%0.765SS**  trans6744.6172.5-47.6-54.797.900119.4E36E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.84Å
35D51.2Low51.9Low175 Ų175152 Ų15294%0.93678%0.778SS**  trans-88.462.5156.4-100.9-35000110.7
36E60.5Low51.8Low157 Ų157151.9 Ų151.973%0.73477%0.769SS**  trans-79.3130.1170.7-166.5-177.4-127.100110.3E34 V38E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.84Å; E36-V38 PolarHBondContact O-N 3.25Å
37P56.3Low51.6Low121 Ų121152.1 Ų152.179%0.78677%0.77SS**  trans-73.687.6-179.130-35.6000111.7D39P37-D39 PolarHBondContact O-N 3.23Å
38V54.9Low51.7Low115 Ų115146.1 Ų146.170%0.69776%0.762SS**  trans-59106.7174.9-178.60000110.6E36 R40E36-V38 PolarHBondContact O-N 3.25Å; V38-R40 PolarHBondContact O-N 2.81Å
39D56Low51.5Low158 Ų158147.9 Ų147.985%0.84577%0.772SS**  trans-63.7121177.7-167.37000110.6P37 D41P37-D39 PolarHBondContact O-N 3.23Å; D39-D41 PolarHBondContact O-N 3.48Å
40R51.8Low51.4Low220 Ų220140.8 Ų140.883%0.8376%0.76SS**  trans-98.685.8-171.4-80.1-168.4170.1-160.4-1.5111V38 P42V38-R40 PolarHBondContact O-N 2.81Å; R40-P42 WeakPolarHBondContact O-CD 3.21Å; R40-P42 VanDerWaalsContact O-N 3.14Å
41D55.7Low51.3Low92 Ų92143.7 Ų143.749%0.49277%0.766SS.*  trans-50.4116.2165.5177.6-0.9000110.4D39 N43 F44D39-D41 PolarHBondContact O-N 3.48Å; D41-N43 PolarHBondContact O-N 2.96Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 VanDerWaalsContact OD1-CB 3.31Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.91Å; D41-F44 HydrophobicContact CB-CD2 4.28Å
42P58.9Low51Low133 Ų133144.2 Ų144.286%0.86477%0.769SS**THydrogen-bonded Turntrans-64.7-10.7-180-23.235.4000115.2R40R40-P42 WeakPolarHBondContact O-CD 3.21Å; R40-P42 VanDerWaalsContact O-N 3.14Å
43N53.1Low50.3Low103 Ų103144.5 Ų144.555%0.55177%0.771SS**THydrogen-bonded Turntrans-100.84.6-166.8-161.931.4000115.4D41 G45D41-N43 PolarHBondContact O-N 2.96Å; D41-N43 VanDerWaalsContact O-N 3.11Å; D41-N43 VanDerWaalsContact OD1-CB 3.31Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.91Å; N43-G45 PolarHBondContact O-N 3.22Å
44F53.5Low49.5Very low179 Ų179146.2 Ų146.279%0.78578%0.78SS**THydrogen-bonded Turntrans-61.7-8.7-177.3-114-93.4000115.7D41D41-F44 HydrophobicContact CB-CD2 4.28Å
45G46.7Very low48.8Very low77 Ų77144.3 Ų144.379%0.79478%0.78SS**THydrogen-bonded Turntrans-90.24.3-171.800000117.9N43N43-G45 PolarHBondContact O-N 3.22Å
46K48Very low47.9Very low173 Ų173143.1 Ų143.175%0.75277%0.773SS**SBendtrans-121-11.3-170.8-74.9-169.6173.1-177.10117.9V48K46-V48 PolarHBondContact O-N 3.45Å
47S48.3Very low46.6Very low98 Ų98140.9 Ų140.969%0.68577%0.771SS**THydrogen-bonded Turntrans-87.312.5-167.6-54.10000116.3
48V48.3Very low45.5Very low133 Ų133141.6 Ų141.681%0.80677%0.773SS**THydrogen-bonded Turntrans-110.10.8-171.1-167.50000113.4K46K46-V48 PolarHBondContact O-N 3.45Å
49L43.5Very low44.2Very low176 Ų176143.1 Ų143.192%0.92178%0.777SS**SBendtrans-12122.9-177-71.4174.6000114.6
50S42.8Very low43.1Very low98 Ų98141 Ų14169%0.68578%0.775SS**  trans-125.332.8-175.754.80000114.6
51R44.8Very low42.2Very low239 Ų239136 Ų13690%0.90277%0.773SS**SBendtrans-11696.1167.7-73.7-163.6179.3-152.60112.9
52V38.7Very low41.8Very low127 Ų127137 Ų13777%0.7779%0.786SS**  trans63.472.5150.3-160.10000116.4
53N36.1Very low40.6Very low167 Ų167138 Ų13889%0.89378%0.779SS**  -99.3116.4120.3-90.8-5.1000106.7
54N36.2Very low40.3Very low158 Ų158137.6 Ų137.685%0.84578%0.782SS**  trans-158.2129156.7-131.338.1000109.2
55T40Very low39.4Very low132 Ų132137.6 Ų137.681%0.8178%0.781SS**  trans-98.9136.2178.348.80000110.2
56D31.9Very low38.7Very low149 Ų149138.9 Ų138.980%0.79778%0.778SS**  trans-155.4-172.3139.5-136.8-43.6000111.6
57T33.2Very low38Very low110 Ų110136.7 Ų136.768%0.67578%0.779SS**  trans-129.7175.4-14453.30000115.3
58T32.2Very low37.3Very low136 Ų136143 Ų14383%0.83479%0.788SS**  trans107131.4155.869.80000121
59D29.2Very low36.5Very low147 Ų147141.7 Ų141.779%0.78678%0.78SS**  trans7698.5142.4-15330.8000123.5
60S33.2Very low35.9Very low115 Ų115138.6 Ų138.680%0.80477%0.769SS**  -176145.2113.2-81.10000112.9
61S32Very low35.5Very low113 Ų113142.7 Ų142.779%0.7977%0.774SS**  trans-103.9178174.8-124.90000110.9
62P47.3Very low34.8Very low115 Ų115138 Ų13875%0.74777%0.772SS**  cis-139161.614.839.1-19.1000119.6
63E32.9Very low34.6Very low154 Ų154137.6 Ų137.672%0.7278%0.775SS**  trans12.7153.8134.8-94.2-109.4108.400121.7K65E63-K65 PolarHBondContact OE1-N 3.31Å
64P48.4Very low34.4Very low94 Ų94135 Ų13561%0.6177%0.77SS**  cis-151.4158.746.241.6-20.4000122.6
65K33.8Very low34.3Very low179 Ų179133.4 Ų133.478%0.77877%0.771SS**  trans75.2147.7151.5-69.9154.1-172.1171.10118E63E63-K65 PolarHBondContact OE1-N 3.31Å
66S32Very low34.1Very low104 Ų104132.2 Ų132.273%0.72777%0.769SS**  cis-151.7129.65.5169.50000114.6
67T34Very low34.3Very low126 Ų126130.8 Ų130.877%0.77377%0.77SS**  trans18.1126.4138.8-45.30000121.8
68R33.1Very low34.9Very low231 Ų231131.9 Ų131.987%0.87278%0.777SS**  178.9130104.2-163.7164.388.9-177.86.6117.2
69T30.7Very low35.1Very low106 Ų106134.5 Ų134.565%0.6578%0.779SS**  trans-28.516316259.40000121.2
70T31.4Very low35.2Very low111 Ų111131.9 Ų131.968%0.68178%0.778SS**  cis-176.5151.7-8.531.60000113
71K34.8Very low35.6Very low183 Ų183134.6 Ų134.680%0.79678%0.782SS**  trans61.7134.6139.9-70.7179.7177.5-177.50124.3
72T30.3Very low35.8Very low140 Ų140134.2 Ų134.286%0.85978%0.78SS**  trans66.8154.5145.6510000119.1
73S33.3Very low35.4Very low119 Ų119138.3 Ų138.383%0.83279%0.786SS**  cis-140.1-170.815.763.60000113.9
74S33.4Very low35.5Very low112 Ų112141.3 Ų141.378%0.78379%0.791SS**  trans-142.7139.4-172.657.80000113.4
75S33.6Very low34.7Very low125 Ų125146.2 Ų146.287%0.87480%0.803SS**  trans-171159145.955.70000113.9
76S35.5Very low34.7Very low108 Ų108143.4 Ų143.476%0.75581%0.805SS**  trans-85.3159.8-177.453.80000115
77S35.2Very low34.5Very low118 Ų118142.4 Ų142.483%0.82581%0.811SS**  179.9165.8115.148.40000112.5
78V46.3Very low34.4Very low134 Ų134141.8 Ų141.881%0.81281%0.812SS**  trans-135.5124.6176.5-178.20000108.8
79Q36.7Very low34.5Very low191 Ų191136.8 Ų136.889%0.89381%0.808SS**  trans-169.5154.9158.7-117.615978.900115.3
80A32.4Very low34.7Very low91 Ų91139.4 Ų139.475%0.75282%0.818SS**  trans58.8110.5154.300000120.4
81L40Very low34.8Very low172 Ų172141.8 Ų141.890%0.90183%0.826SS**  trans-153.9136.1132.1-111.3162.2000109.9
82S36.1Very low34.7Very low105 Ų105141.5 Ų141.573%0.73483%0.833SS**  trans-159.1157.7-179.5-69.10000111.1
83K40.6Very low34.9Very low201 Ų201143.7 Ų143.787%0.87483%0.83SS**  trans91.2151.2172.4-54.1174.5-179.6177.90116.7
84R33.6Very low34.6Very low217 Ų217143.9 Ų143.982%0.81983%0.827SS**  trans68.9138.3-169.2-66.5-179.1164.9175.6-5.9113.6
85F33Very low34.4Very low198 Ų198147.1 Ų147.187%0.86883%0.832SS**  cis-112.117312.1-74.3-95.8000114.3
86S32.8Very low34.5Very low119 Ų119146.7 Ų146.783%0.83282%0.824SS**  trans-133.8149.5-176.6-51.10000111.3
87G28.5Very low34.8Very low83 Ų83146.9 Ų146.986%0.85682%0.822SS**  trans85.6138.1172.700000113.6
88S30.6Very low34.4Very low113 Ų113145.9 Ų145.979%0.7982%0.815SS**  cis-142165.439.8-159.90000113.7
89T35.2Very low33.8Very low126 Ų126150.3 Ų150.377%0.77382%0.819SS**  trans-106.3139.9166.848.40000109.8
90D35.2Very low33.5Very low162 Ų162151.6 Ų151.687%0.86682%0.817SS**  trans-150.9141.8160.2-91.4-56.1000110.2
91D34Very low33.5Very low160 Ų160153.1 Ų153.186%0.85682%0.823SS**  trans-92.5147.6-175.5-75.3-63.7000112.9
92L33.6Very low33Very low178 Ų178154.4 Ų154.493%0.93282%0.821SS**  trans-150154.1142.1-147.860.2000113.9
93K32.7Very low32.7Very low186 Ų186161.1 Ų161.181%0.80983%0.83SS**  trans-93.8137.8-163.8-68.7172.7179.4170.40114.4
94T27.8Very low32.4Very low123 Ų123157.6 Ų157.676%0.75583%0.825SS**  33.4114128-39.30000119.5
95M29.5Very low32.1Very low180 Ų180153 Ų15389%0.88783%0.826SS**  trans-145.8142.1138.4-88.1-123.782.200111.2
96T35.3Very low31.9Very low115 Ų115149.5 Ų149.571%0.70683%0.825SS**  trans-145.7170.517059.90000107.2
97P42Very low31.9Very low113 Ų113150.4 Ų150.473%0.73483%0.826SS**  cis-126.3-175-5.241.3-26.6000113
98S27.5Very low32.1Very low97 Ų97155.6 Ų155.668%0.67883%0.825SS**  160.8162.8112.460.60000115.5
99Y32.6Very low32Very low226 Ų226156 Ų15689%0.88682%0.823SS**  trans65.6123.9168-67.8-72.3000122
100Y31.6Very low31.8Very low219 Ų219159.1 Ų159.186%0.85983%0.829SS**  trans-82.3150.5174.8-100.4-116.4000112.3
101S30.7Very low31.5Very low123 Ų123158.3 Ų158.386%0.8683%0.83SS**  -172.4100118.8-84.50000112.6
102K29.4Very low31.6Very low198 Ų198155.9 Ų155.986%0.86183%0.826SS**  trans-77.7124162.2-89.1-178.7174.9174.90109.1
103R31.4Very low31.6Very low247 Ų247152.2 Ų152.293%0.93282%0.815SS**  trans-89.2105.8171.3-170.4179.8-62.9-156.71.6109.7
104T32.5Very low31.8Very low126 Ų126147.7 Ų147.777%0.77380%0.803SS**  trans-78.3150.3172.137.80000111.6
105S28.6Very low32.1Very low120 Ų120147.1 Ų147.184%0.83980%0.799SS**  trans-86.8138.3175.645.70000111.5
106C28.2Very low32.8Very low126 Ų126145.7 Ų145.785%0.85179%0.788SS**  trans-125.6131.1171.3-88.30000110.4
107T32.1Very low32.8Very low138 Ų138144.3 Ų144.385%0.84778%0.783SS**  trans-94.2116.5179.648.40000111.7
108K32.9Very low32.6Very low191 Ų191142.9 Ų142.983%0.8377%0.773SS**  trans-147.4121.8163.7-69.8-162.8179.4-174.50107.4
109T30.1Very low33.3Very low123 Ų123142.8 Ų142.876%0.75577%0.768SS**  55.9113.376.662.10000114.7
110E30.6Very low33.8Very low190 Ų190137.1 Ų137.189%0.88876%0.757SS**  trans53116.9153.6-58.1-173176.300119.8
111T28.8Very low34.7Very low145 Ų145130.5 Ų130.589%0.8974%0.739SS**  trans-94.7101.9-179.4-53.10000111.8
112S36.1Very low35.5Very low110 Ų110134.8 Ų134.877%0.76974%0.742SS**  trans-89125160.3-70.60000110T114S112-T114 PolarHBondContact O-N 3.36Å
113S34Very low36.4Very low100 Ų100132.3 Ų132.370%0.69974%0.739SS**  trans-87.7105.2-178.5570000112.4
114T35Very low37.3Very low91 Ų91123.5 Ų123.556%0.55872%0.724SS**  trans-100113.4173.8-58.20000110.8S112S112-T114 PolarHBondContact O-N 3.36Å
115T34.9Very low37.8Very low112 Ų112121.8 Ų121.869%0.68771%0.714SS**  trans-93129.4171.7-54.40000110
116K43.7Very low38.7Very low149 Ų149120.5 Ų120.565%0.64870%0.701SS**  trans-108.7140.8168.5-64.4-176.4-180-176.70108.9
117S35Very low39.3Very low86 Ų86120.7 Ų120.760%0.60169%0.69SS**EExtended strand (participates in β ladder)trans-131.3141.1169-166.40000108.6
118T39.5Very low39.9Very low84 Ų84118.2 Ų118.252%0.51567%0.674SS.*EExtended strand (participates in β ladder)trans-128.4119.2-176.4-54.40000108.5
119T41.5Very low40.3Very low95 Ų95113.3 Ų113.358%0.58366%0.66SS**EExtended strand (participates in β ladder)trans-113.4124.517945.40000109.4
120V43Very low40.9Very low107 Ų107111.2 Ų111.265%0.64865%0.647SS**EExtended strand (participates in β ladder)trans-95.5119.7179.6-176.70000109
121T50.3Low41.3Very low79 Ų79106.6 Ų106.649%0.48563%0.632SS.*  trans-82.8159.4170.249.80000110.4D123 G124 T125T121-D123 PolarHBondContact O-N 3.38Å; T121-D123 VanDerWaalsContact O-N 3.13Å; T121-G124 PolarHBondContact O-N 2.65Å; T121-T125 PolarHBondContact OG1-O 2.84Å
122K48.4Very low41.7Very low213 Ų213104 Ų10493%0.92662%0.617SS**THydrogen-bonded Turntrans-64.9-19.8-168.3-84-172.6172.5-177.90115G124K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.94Å
123D48.6Very low41.8Very low147 Ų147104.3 Ų104.379%0.78661%0.613SS**THydrogen-bonded Turntrans-95.429.4-177.4-53.2-66.7000113.1T121 T125T121-D123 PolarHBondContact O-N 3.38Å; T121-D123 VanDerWaalsContact O-N 3.13Å; D123-T125 PolarHBondContact O-N 3.46Å
124G49.7Very low42.1Very low61 Ų61106.8 Ų106.863%0.62961%0.614SS**SBendtrans72.3-3.3164.300000117T121 K122T121-G124 PolarHBondContact O-N 2.65Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.94Å
125T43.8Very low42Very low90 Ų90108.5 Ų108.555%0.55263%0.63SS**  trans-84.5125.5178.1-60.30000110.7T121 D123T121-T125 PolarHBondContact OG1-O 2.84Å; D123-T125 PolarHBondContact O-N 3.46Å
126T45.8Very low41.9Very low94 Ų94108.6 Ų108.658%0.57763%0.63SS**EExtended strand (participates in β ladder)trans-97.198.9-178.9550000111.8
127E42.1Very low41.3Very low130 Ų130111.6 Ų111.661%0.60764%0.643SS**EExtended strand (participates in β ladder)trans-80.3132.9171.2-65-172.2176.800111
128T43.6Very low41.3Very low85 Ų85112.2 Ų112.252%0.52165%0.647SS.*EExtended strand (participates in β ladder)trans-119.694.3-178.4-61.10000110.6V130T128-V130 HydrophobicContact CG2-CG2 4.3Å
129T42.4Very low41.1Very low88 Ų88114.1 Ų114.154%0.5466%0.661SS.*EExtended strand (participates in β ladder)trans-84.2116.5-179.5-47.90000111
130V41.9Very low40.3Very low79 Ų79116.1 Ų116.148%0.47967%0.673SS.*  trans-102.486.7-179.2-174.80000110.7T128 T132T128-V130 HydrophobicContact CG2-CG2 4.3Å; V130-T132 PolarHBondContact O-N 3.3Å
131T40.2Very low39.7Very low93 Ų93117 Ų11757%0.57168%0.679SS**  trans-77.3102.3177.7-53.30000111T133T131-T133 HydrophobicContact CG2-CG2 4.37Å
132T36.8Very low38.9Very low92 Ų92122.9 Ų122.956%0.56470%0.698SS**  trans-94.2101.2176.3-56.50000110.7V130 Q134V130-T132 PolarHBondContact O-N 3.3Å; T132-Q134 HydrophobicContact CG2-CG 4.24Å; T132-Q134 PolarHBondContact O-N 2.94Å
133T38.1Very low38.1Very low115 Ų115118 Ų11871%0.70669%0.686SS**  trans-84.394.4176.246.30000111.7T131T131-T133 HydrophobicContact CG2-CG2 4.37Å
134Q40.5Very low37.7Very low152 Ų152117.1 Ų117.171%0.7169%0.688SS**  trans-82.1120.9169.3-63.7-171.48.800110.7T132 V136T132-Q134 HydrophobicContact CG2-CG 4.24Å; T132-Q134 PolarHBondContact O-N 2.94Å; Q134-V136 PolarHBondContact O-N 3.31Å; Q134-V136 VanDerWaalsContact O-N 3.13Å
135S33Very low36.8Very low127 Ų127120.6 Ų120.689%0.88869%0.693SS**  trans-85.477.6175.3-165.20000111.1
136V31Very low36.2Very low114 Ų114126.3 Ų126.369%0.69171%0.71SS**  trans-89.9103.8173-78.90000110.7Q134 S138Q134-V136 PolarHBondContact O-N 3.31Å; Q134-V136 VanDerWaalsContact O-N 3.13Å; V136-S138 PolarHBondContact O-N 3.27Å
137K32.3Very low35.6Very low212 Ų212127.6 Ų127.692%0.92272%0.717SS**  trans-79.485.4179.5-172-176.5177.5179.90111.7
138S33.7Very low35.1Very low99 Ų99130.6 Ų130.669%0.69273%0.732SS**  trans-124.7142.6165.4-71.10000110.5V136V136-S138 PolarHBondContact O-N 3.27Å
139P35.7Very low34.8Very low124 Ų124132.3 Ų132.381%0.80574%0.742SS**  trans-73.9142-175.930.1-35000112.4T141P139-T141 PolarHBondContact O-N 3.38Å
140V26.3Very low34.2Very low137 Ų137137.3 Ų137.383%0.8376%0.756SS**  trans-84.2113.2175.2176.80000110.4
141T30.5Very low33.8Very low127 Ų127140.9 Ų140.978%0.77977%0.77SS**  trans-115.9124.9158.547.80000109.2P139P139-T141 PolarHBondContact O-N 3.38Å
142K32.1Very low33.4Very low201 Ų201143 Ų14387%0.87477%0.773SS**  trans-68.8136.7-175.5-59.5176.6-178.6178.20111.4
143T32.1Very low33.3Very low110 Ų110147.5 Ų147.568%0.67578%0.78SS**  trans-116.8150.915960.30000110.1N145T143-N145 PolarHBondContact OG1-OD1 3.17Å
144P39.6Very low33Very low129 Ų129147.7 Ų147.784%0.83878%0.781SS**  trans-102.5125.8146.232.8-25.3000109
145N31Very low32.5Very low135 Ų135149.5 Ų149.572%0.72279%0.786SS**  trans-80.8140.4179.8-69.4-4.2000111.4T143T143-N145 PolarHBondContact OG1-OD1 3.17Å
146K31.8Very low32.4Very low209 Ų209148 Ų14891%0.90978%0.776SS**  trans-129129.1140.3-80.4-165.5174-173.50108.6
147T32.6Very low32.4Very low121 Ų121148.2 Ų148.274%0.74278%0.782SS**  trans-85.5145.1179.2-32.80000109.6
148E32.5Very low32.5Very low194 Ų194142.2 Ų142.291%0.90777%0.767SS**  -165.2168.8126.1-113.7168.7-148.600112.6
149T35.7Very low32.5Very low120 Ų120145.9 Ų145.974%0.73677%0.77SS**  trans-114.6137.5-157.8-50.40000111.5
150F29.8Very low32.3Very low193 Ų193147.2 Ų147.285%0.84677%0.771SS**  trans-155.9168.4142.4-149-109.3000113.7
151M34.3Very low32.7Very low155 Ų155145.2 Ų145.276%0.76476%0.763SS**  trans-106.2172.8-175.7-58.2-169.9-168.900113.6
152E31.7Very low32.7Very low137 Ų137147.5 Ų147.564%0.6477%0.765SS**  trans87.6157.5140.1-137.6-144.8109.200120.7
153R34Very low32.5Very low187 Ų187148 Ų14871%0.70676%0.763SS**  trans99.883.6146.6-148.5157.6-68.8165.95.8120.9
154V32.2Very low32.5Very low119 Ų119147.5 Ų147.572%0.72176%0.764SS**  trans20.7119.4139.8-78.20000122.6
155K31.1Very low32Very low190 Ų190145.4 Ų145.483%0.82675%0.752SS**  82.3143.3110.5-160.5-175.5-177.8178.40120.5
156S30.5Very low31.9Very low96 Ų96149.2 Ų149.267%0.67176%0.758SS**  trans99.2125.6154.2-32.40000120
157S30Very low31.9Very low117 Ų117144.2 Ų144.282%0.81875%0.749SS**  trans64.7159.3137.2-67.80000122
158S36.2Very low32.2Very low87 Ų87144.5 Ų144.561%0.60875%0.753SS**  cis-178.7167.1-27.160.10000110.2
159K33.3Very low32Very low175 Ų175141.5 Ų141.576%0.76175%0.748SS**  trans78.1130.9163.4-65.1173.9-179.2-176.70116
160D30.2Very low31.7Very low153 Ų153144.7 Ų144.782%0.81875%0.752SS**  71.9135.758.7-55-47.7000111.9
161S34.9Very low31.7Very low95 Ų95141.2 Ų141.266%0.66475%0.747SS**  cis-147.5-157.85.251.10000109.6
162Q31.7Very low31.4Very low174 Ų174140.5 Ų140.581%0.81375%0.751SS**  cis-159.9-147.57.1-147152.6-68.500112.6
163Y28.2Very low31.3Very low213 Ų213142.2 Ų142.284%0.83576%0.757SS**  trans-77.9176.9-179.2-92.9-132.8000114.4
164S31.8Very low31.6Very low99 Ų99138.5 Ų138.569%0.69276%0.757SS**  cis-172.8178.334.5-131.10000109.9
165S28.9Very low31.4Very low85 Ų85139.3 Ų139.359%0.59476%0.762SS**  cis177.8168.8-30.351.30000112.1
166Y29.3Very low31.6Very low214 Ų214136.5 Ų136.584%0.83976%0.755SS**  trans82108.2158.8-83.5-77.8000124.4
167S30.3Very low32.2Very low105 Ų105138 Ų13873%0.73476%0.762SS**  trans49.6136.2133.2-57.60000126.5
168P40.4Very low32.2Very low127 Ų127138.1 Ų138.183%0.82576%0.758SS**  trans-118.5173.4174.343.3-34.2000116.7
169T27.3Very low32Very low131 Ų131140.5 Ų140.580%0.80477%0.769SS**  trans-147.2122.7-179.5-32.10000116.9
170K30.3Very low32.1Very low186 Ų186142.6 Ų142.681%0.80978%0.778SS**  trans48.7120.2147-70.5-175.9176178.70125.9
171T28.8Very low31.9Very low121 Ų121138.7 Ų138.774%0.74277%0.774SS**  74.5130.3118-51.10000123.4
172T29Very low31.9Very low139 Ų139138.6 Ų138.685%0.85378%0.779SS**  176.1159.4118-66.80000112.2
173K29.9Very low32Very low174 Ų174139.1 Ų139.176%0.75778%0.782SS**  trans-127.6149-167.7-169.6-139.6176.5-169.80114.4
174P40.2Very low32.4Very low109 Ų109135.4 Ų135.471%0.70878%0.776SS**  trans-97.8-161162.6-6.428.3000115.3
175T26.8Very low32.8Very low135 Ų135137.4 Ų137.483%0.82877%0.774SS**  trans-131.6165.1-168.9-47.20000113.6
176I35.3Very low33.1Very low131 Ų131140.1 Ų140.167%0.67278%0.782SS**  trans-93.9175.4175.2-26.8176.8000110.4
177P42.9Very low33.2Very low127 Ų127139.1 Ų139.183%0.82578%0.778SS**  -145.3173.8100.339.4-24.4000116.1
178T30.6Very low33.3Very low120 Ų120140.3 Ų140.374%0.73678%0.776SS**  trans-129.6159.6-176.8-45.50000110.2
179T31.4Very low33Very low138 Ų138139 Ų13985%0.84777%0.77SS**  trans-123.8153.3170.247.70000112.8
180K35.8Very low33.4Very low219 Ų219140.8 Ų140.895%0.95277%0.774SS**  trans-155.1158.1-176.7-106-164.3175.1-166.90112.3
181G26.3Very low33.5Very low70 Ų70137.4 Ų137.472%0.72277%0.768SS**  trans155.2123.6169.700000109
182A35.9Very low33.7Very low94 Ų94140.2 Ų140.278%0.77777%0.773SS**  cis73.2141.31700000113.1
183E33.2Very low34.1Very low185 Ų185138.3 Ų138.386%0.86477%0.766SS**  cis-152.816417.2-64177176.900108
184D36.5Very low35.2Very low135 Ų135135.6 Ų135.672%0.72277%0.766SS**  cis-157.4-143.8-18.1-138.957.5000107.9
185Q40.1Very low34.8Very low140 Ų140136.8 Ų136.865%0.65477%0.771SS**  cis-164.6-165.71.7-135-46.6-73.500109.1
186L34.5Very low35Very low142 Ų142139.7 Ų139.774%0.74377%0.772SS**  trans89.896.5157.6-59.3-171.9000123.6
187Y31.4Very low34.9Very low193 Ų193140.7 Ų140.776%0.75778%0.778SS**  68.392.3126.1-94.3-98.9000124.7
188N33.7Very low34.3Very low131 Ų131142.4 Ų142.470%0.70178%0.781SS**  53.6133.8111.4-85.3-23.4000125.2
189S33.3Very low34.5Very low99 Ų99141.9 Ų141.969%0.69278%0.782SS**  trans76.4109.2137-61.60000122.2
190L35.3Very low35.6Very low169 Ų169140.9 Ų140.989%0.88578%0.778SS**  -177.9171101.2-99.3151.5000112.4
191T32.3Very low35.3Very low114 Ų114137 Ų13770%0.69977%0.773SS**  trans-136.6165.4-167.753.50000113.6
192Q33.2Very low35.5Very low180 Ų180141.6 Ų141.684%0.84177%0.773SS**  trans71153.3167.4-65.6-178.326.800116.4
193S38.2Very low35.2Very low100 Ų100142.9 Ų142.970%0.69977%0.767SS**  cis-156.6171-2-116.60000111.9
194P51.4Low35.2Very low116 Ų116139 Ų13975%0.75376%0.76SS**  trans-99.2161.9-17338.3-35.6000116.1
195V32.3Very low34.8Very low134 Ų134141.4 Ų141.481%0.81276%0.764SS**  trans-138.6103.8173.9-177.70000107.2
196K31.6Very low34.3Very low196 Ų196140.8 Ų140.885%0.85277%0.77SS**  71.2134.888.5-75.3-170.7175.4-175.70115.6
197N32.6Very low34Very low152 Ų152139.9 Ų139.981%0.81377%0.77SS**  trans-77.2159.4174.1-42.9-70.3000111.3
198D30Very low34Very low164 Ų164137 Ų13788%0.87777%0.772SS**  -162.2169.5121.5-103-34.9000111.8
199S35.3Very low33.7Very low108 Ų108136.3 Ų136.376%0.75577%0.774SS**  trans-142.5-174.9179.2-54.90000108.4
200P53.9Low33.5Very low117 Ų117137.9 Ų137.976%0.7678%0.779SS**  cis-127.8171.3-19.439.6-26.3000113.1
201T29.7Very low33.3Very low139 Ų139135.3 Ų135.385%0.85377%0.77SS**  trans-164.2127.6140.718.70000114.5
202K31.4Very low33.2Very low166 Ų166139.1 Ų139.172%0.72278%0.78SS**  trans40.3141.5131.1-111.1179153.8-74.20124.1
203D29.6Very low32.9Very low121 Ų121136.5 Ų136.565%0.64778%0.777SS**  trans81.7134.7144.9-61.7-33.2000122.8
204S32.2Very low32.5Very low104 Ų104137.4 Ų137.473%0.72778%0.778SS**  trans67.298.5145-167.70000121.8
205K30Very low31.4Very low184 Ų184138.2 Ų138.280%0.878%0.781SS**  36.1120.7115.9176.2-166174.7-173.90118.4
206T28.9Very low31.6Very low128 Ų128137.6 Ų137.679%0.78578%0.777SS**  -165.5144.9122-79.30000111.5
207T28.1Very low31.6Very low122 Ų122137.6 Ų137.675%0.74878%0.777SS**  trans-93.8142.8176.418.50000112.5
208V30.8Very low31.8Very low132 Ų132134.8 Ų134.880%0.877%0.77SS**  trans-140.5135.8145.6-178.30000108.4
209T27Very low32Very low118 Ų118131.6 Ų131.672%0.72476%0.76SS**  trans-120.7140.4171-51.10000108T211T209-T211 HydrophobicContact CG2-CG2 4.3Å
210T29.1Very low32.2Very low132 Ų132131 Ų13181%0.8176%0.756SS**  trans-127.7133.3170.1-51.50000109.6
211T31.9Very low31.3Very low114 Ų114132.4 Ų132.470%0.69976%0.757SS**  trans-136.1143-177.449.30000110.1T209T209-T211 HydrophobicContact CG2-CG2 4.3Å
212E31.1Very low31.7Very low194 Ų194129.8 Ų129.891%0.90775%0.749SS**  trans-129.4157.4164.3-75-157.9128.700112
213T26.9Very low32.1Very low125 Ų125131.1 Ų131.177%0.76776%0.755SS**  trans-154.2171.1-161.758.70000109.9
214V28.1Very low32.5Very low120 Ų120129 Ų12973%0.72775%0.754SS**  cis-117-110.212.9-165.20000111.6
215T28.7Very low32.7Very low133 Ų133132.7 Ų132.782%0.81676%0.76SS**  cis-147.5140.61.9-59.60000109.2
216V36.4Very low33.1Very low121 Ų121129.8 Ų129.873%0.73375%0.753SS**  trans-139.9150.9-165.6-172.90000111.7
217K31.2Very low33.8Very low196 Ų196131.3 Ų131.385%0.85275%0.749SS**  trans-157.9103152.5-135.4128.8-175172.50109.5
218S37Very low34.3Very low93 Ų93133.2 Ų133.265%0.6575%0.754SS**  85.9146.174.278.40000113.2
219S34.2Very low34.4Very low97 Ų97136.8 Ų136.868%0.67875%0.754SS**  cis-131.6-1452.6490000108.9
220S40Very low34.6Very low96 Ų96137.9 Ų137.967%0.67176%0.756SS**  cis-174.2166.1-1.820.70000107.5
221D34.3Very low34.9Very low145 Ų145136.6 Ų136.678%0.77575%0.752SS**  cis179.3145.8-29.6-93.8-51.4000105.8
222A39.6Very low35.2Very low84 Ų84139.4 Ų139.469%0.69476%0.762SS**  cis-154-124.3-8.400000108
223K38.4Very low35.5Very low195 Ų195138.5 Ų138.585%0.84876%0.762SS**  trans66.183.5-179.3-55.4-68.8-175.2176.60113.4
224A37.9Very low36.3Very low76 Ų76138 Ų13863%0.62876%0.761SS**  62.999.77800000112.2
225E37.3Very low36.8Very low181 Ų181139.4 Ų139.485%0.84677%0.765SS**  85.1142.294.3-76.9168.2-124.800112.4
226D38.8Very low37.2Very low124 Ų124138.8 Ų138.866%0.66376%0.763SS**  cis-135-17320.2-163.412.3000113.7
227K43.7Very low37.2Very low160 Ų160141 Ų14170%0.69677%0.769SS**  trans-78.2160.6-167.8-51.8150.6-160.792.80112.9
228L37.5Very low37.4Very low162 Ų162140.9 Ų140.985%0.84877%0.768SS**  -170.415876.4-152.771.7000112.8
229Y32.7Very low37.1Very low206 Ų206141.3 Ų141.381%0.80877%0.772SS**  trans-74.7169.9161.3-79.7-112.4000109.7
230D32Very low37.4Very low142 Ų142142.9 Ų142.976%0.75978%0.78SS**  cis-165.2-16730.6-151.9-19.7000111.7
231S36.1Very low37.1Very low104 Ų104146.1 Ų146.173%0.72779%0.789SS**  trans8486162.5-54.10000118
232L36.9Very low37.1Very low173 Ų173144.9 Ų144.991%0.90679%0.792SS**  trans-130.191.6157.8-75.1178.6000111.7
233L38.4Very low36.7Very low175 Ų175146.1 Ų146.192%0.91680%0.796SS**  trans-137.1150.2153.4-80.3-178.2000109.5
234P42.6Very low36.3Very low115 Ų115142.9 Ų142.975%0.74779%0.792SS**  trans-100.7154.8-154.237.6-36.4000115.9
235D39.1Very low35.9Very low150 Ų150144.8 Ų144.880%0.80280%0.797SS**  trans-69.7144.5166.1-78.4-52.8000112.8I237D235-I237 PolarHBondContact O-N 3.1Å
236P36.6Very low35.5Very low120 Ų120141.9 Ų141.978%0.77980%0.796SS**  trans-82.3100178.432.3-33.9000112.3K238P236-K238 PolarHBondContact O-N 3.1Å
237I36.8Very low34.8Very low167 Ų167141 Ų14186%0.85680%0.795SS**  trans-66.8113174.1-60.3176.9000110.5D235D235-I237 PolarHBondContact O-N 3.1Å
238K35.3Very low34.1Very low193 Ų193142.2 Ų142.284%0.83980%0.8SS**PPolyproline II helixtrans-77.2145161.5-86.4-176.1174.2178.40110.7P236P236-K238 PolarHBondContact O-N 3.1Å
239S31.6Very low33.5Very low103 Ų103141.4 Ų141.472%0.7280%0.802SS**PPolyproline II helixtrans-64.6139.317448.30000112.4
240P39.5Very low33.3Very low130 Ų130140.7 Ų140.784%0.84480%0.804SS**PPolyproline II helixtrans-87.3120.2172.533-31000111.6
241D34.3Very low33Very low163 Ų163140.4 Ų140.487%0.87281%0.807SS**PPolyproline II helixtrans-90.5143.9160.5-88.5-54.7000110.3
242S33.1Very low32.6Very low119 Ų119144.5 Ų144.583%0.83281%0.812SS**PPolyproline II helixtrans-97.9131.3-173.2640000113.5
243S32.1Very low32.1Very low110 Ų110142.7 Ų142.777%0.76981%0.808SS**  trans-157.8120.9147.454.90000114.9
244T29.9Very low31.5Very low127 Ų127143.2 Ų143.278%0.77980%0.803SS**  trans5089.8130.6-42.60000120.6
245T28.9Very low30.7Very low117 Ų117142.9 Ų142.972%0.71880%0.799SS**  22.5119.2121.5-42.30000120.1
246S29.3Very low30.2Very low119 Ų119144.7 Ų144.783%0.83280%0.8SS**  trans-163.684.4142.4-87.90000115.6
247T25.4Very low29.7Very low106 Ų106147.8 Ų147.865%0.6580%0.801SS**  trans16.8143.4144.863.80000124.5
248K27.5Very low29.3Very low185 Ų185145 Ų14580%0.80479%0.792SS**  trans90.1113.7143.1-73.2153-177.1168.70120.8
249T25.3Very low29.1Very low145 Ų145142.4 Ų142.489%0.8979%0.787SS**  trans-140.7161136.5-75.30000107.6
250K28.2Very low29.1Very low192 Ų192142.2 Ų142.284%0.83579%0.785SS**  trans-148.884-145.5-169.4179.9-179.6-176.40116.1
251T25.6Very low28.9Very low135 Ų135141.4 Ų141.483%0.82878%0.783SS**  trans-132.1115.4177.8-26.90000109.4
252K28.6Very low28.8Very low190 Ų190138 Ų13883%0.82677%0.772SS**  cis86.6135.731.3-154.1-177.6-172.5-173.60113.1
253T25.2Very low28.9Very low135 Ų135140 Ų14083%0.82877%0.768SS**  trans100.8140.1178.7-52.50000114.5
254K26.8Very low28.8Very low186 Ų186140.3 Ų140.381%0.80977%0.765SS**  cis-173.2146-30.4-141-160.2179.7179.80111.6
255T25.4Very low29Very low109 Ų109140.1 Ų140.167%0.66976%0.764SS**  trans61.7100.4143.7-560000124.2
256K29Very low29Very low188 Ų188140.1 Ų140.182%0.81776%0.764SS**  56.3110.1115.9-169.2-170.5179.6179.20124
257K25.8Very low29.1Very low184 Ų184138.6 Ų138.680%0.876%0.758SS**  -168.2133.6119.2-108.3-164.4171.3-168.40108.6
258V29.1Very low29.3Very low109 Ų109142.7 Ų142.766%0.66177%0.767SS**  55.9118.591.9-177.90000111.1
259D29.6Very low29.5Very low139 Ų139138.7 Ų138.774%0.74376%0.762SS**  cis-135.4179.242.8-131.7-55.3000117.6
260S32Very low30Very low98 Ų98137 Ų13769%0.68576%0.756SS**  trans-44.2152.4172.5-45.60000114
261S35.6Very low30.3Very low113 Ų113132.5 Ų132.579%0.7975%0.749SS**  cis-171.6164.710.721.80000107.4
262S32.9Very low30.7Very low91 Ų91133.2 Ų133.264%0.63675%0.748SS**  cis-165.2-150.5-3.742.30000106.6
263E34.3Very low31.1Very low163 Ų163128.1 Ų128.176%0.76274%0.741SS**  cis-153.1-88.22.8-153.7137.2100.800113.8
264T31.6Very low31.5Very low115 Ų115130 Ų13071%0.70674%0.744SS**  trans-157.2156.9-155.351.20000112.9
265V32.1Very low31.9Very low123 Ų123125.6 Ų125.675%0.74574%0.743SS**  cis-160.3155.2-0.8122.30000107.3
266T30Very low32.5Very low118 Ų118129.5 Ų129.572%0.72475%0.754SS**  cis146.172.345.336.40000115.8
267A31.3Very low32.9Very low87 Ų87126.6 Ų126.672%0.71975%0.747SS**  trans67.8-179.8143.400000117.9
268K28.9Very low33.7Very low192 Ų192125.8 Ų125.884%0.83574%0.744SS**  cis-152.7158.513.3-158.8169.4179.4179.60115.4
269S33Very low34.1Very low100 Ų100127.5 Ų127.570%0.69975%0.748SS**  trans-65.9-179.1165.255.50000113
270S34.3Very low34.2Very low109 Ų109130.4 Ų130.476%0.76275%0.75SS**  cis-154.6-163.323.957.30000110.8
271S35.9Very low34.2Very low99 Ų99131.8 Ų131.869%0.69275%0.75SS**  cis-159.3173.69.347.80000113.9
272D33.8Very low34.4Very low150 Ų150133.4 Ų133.480%0.80276%0.755SS**  trans-35169.5153.6-43.9-78.2000117.2
273A37.5Very low34.5Very low83 Ų83135.7 Ų135.769%0.68676%0.759SS**  cis-179.2-179.7-24.700000110.3
274I33.5Very low34.8Very low173 Ų173134.8 Ų134.889%0.88776%0.759SS**  trans75.2119.4163.2-50.5168.2000118.6
275A35Very low35.5Very low95 Ų95135.1 Ų135.179%0.78576%0.762SS**  trans-178.1157.1134.400000111
276E37.5Very low35.8Very low191 Ų191135.3 Ų135.389%0.89377%0.77SS**  trans-127.8165.5179.7-62.6-172.6145.700113.1
277D37.2Very low36Very low126 Ų126134 Ų13467%0.67477%0.77SS**  trans91111.6140.8-139.429.1000122.3
278K41.9Very low36.3Very low168 Ų168136.8 Ų136.873%0.7377%0.772SS**  trans60.9165.9158.8-32.5-161.4-172.2-177.80117.1
279L37.3Very low36.7Very low144 Ų144135.8 Ų135.875%0.75477%0.768SS**  cis-158.5165.826.6-167.466.8000112.3
280Y32.2Very low36.7Very low200 Ų200137.3 Ų137.378%0.78477%0.768SS**  trans-21.8149.9-179.8-74.5-79.1000124.7
281D31.6Very low36.4Very low127 Ų127135.5 Ų135.568%0.67977%0.767SS**  trans23131.8143.6-71.1-51.6000122.2
282T40.3Very low36.3Very low147 Ų147137.9 Ų137.990%0.90277%0.771SS**  -145.1143.3125.1-50.60000110.7
283L35.7Very low36.4Very low139 Ų139135.2 Ų135.273%0.72877%0.765SS**  trans-95.8153.3-174.7-79.9166.2000113.8
284I40.7Very low36.5Very low145 Ų145141.7 Ų141.774%0.74478%0.777SS**  trans73.7135.4152.5-71.4160.7000117.5
285P45.9Very low36.5Very low121 Ų121142.2 Ų142.279%0.78677%0.773SS**  trans-86.1146.9177.434.8-35.4000113.1
286S38.5Very low36.2Very low128 Ų128143.8 Ų143.890%0.89577%0.773SS**  trans-108.6133.2165.6-70.20000110.2
287A34.4Very low35.8Very low90 Ų90140.6 Ų140.674%0.74477%0.767SS**  trans-109.6-168.4-178.600000111.5
288I36.8Very low35.5Very low146 Ų146141.1 Ų141.175%0.74978%0.775SS**  trans66.2118.8168-12.4180000112.7
289K38.4Very low34.8Very low171 Ų171138.2 Ų138.274%0.74378%0.775SS**  -170.1152.476-89.2-172.9168-155.20115.1
290D31.9Very low34.4Very low131 Ų131136.4 Ų136.470%0.70178%0.775SS**  33.6133.2127.9-34.7-25000118.3
291G28.7Very low34.3Very low72 Ų72132 Ų13274%0.74277%0.773SS**  cis167.5-162.74.200000112.5
292D34.3Very low34.4Very low148 Ų148134.4 Ų134.479%0.79178%0.78SS**  trans59.9101.4168.6-88.7-57.4000122
293S35.5Very low34.7Very low95 Ų95132.3 Ų132.366%0.66477%0.769SS**  52.9102.5109.8-51.20000120.2
294K40.1Very low34.3Very low219 Ų219131.7 Ų131.795%0.95277%0.771SS**  -157.9145.1127.8-108.8143.3-1681690115.4
295K32.6Very low33.6Very low183 Ų183130.2 Ų130.280%0.79677%0.768SS**  trans-104127-177.1147.4-144.9174-175.30108.7
296T29.3Very low32.8Very low128 Ų128130.5 Ų130.579%0.78577%0.768SS**  trans-178.4113.213827.20000114.1
297T28.4Very low32.5Very low124 Ų124133.1 Ų133.176%0.76176%0.763SS**  13.4149.7124.5-23.30000122.8
298V31.1Very low32.3Very low138 Ų138133.8 Ų133.884%0.83676%0.762SS**  trans112.8143149.8-173.20000118.1
299S27.9Very low32.1Very low107 Ų107131.2 Ų131.275%0.74876%0.757SS**  trans-86.7159.5-161.3-34.30000118.6
300S28.2Very low31.9Very low105 Ų105129.9 Ų129.973%0.73476%0.758SS**  81.7151.9129.4-163.80000122.2
301S29.6Very low32Very low107 Ų107129.6 Ų129.675%0.74876%0.762SS**  trans64.114616334.80000117.6
302E34.5Very low32.3Very low179 Ų179132 Ų13284%0.83676%0.761SS**  cis-179.1-170-19.4-125.2-170.2-15400105.5
303P45.2Very low32.2Very low102 Ų102132.7 Ų132.766%0.66277%0.765SS**  cis-125.9-168.6-24.639.2-22.9000112.1
304V27.4Very low32.3Very low126 Ų126135.3 Ų135.376%0.76477%0.772SS**  trans-175.3121.4130.1140.10000114.2
305T27.6Very low33Very low114 Ų114129.6 Ų129.670%0.69976%0.757SS**  trans61.3116.4155.558.20000124.9
306V28.9Very low33Very low128 Ų128130 Ų13078%0.77676%0.759SS**  72.3128.8122.9176.90000117.5
307K31.1Very low33Very low183 Ų183129.8 Ų129.880%0.79676%0.758SS**  cis-160.9153.742.7-152.2159.8-178.2176.80113.5
308S30.8Very low33.2Very low104 Ų104129.8 Ų129.873%0.72776%0.758SS**  trans33.3148.1148.2-690000123.3
309S33.2Very low34Very low92 Ų92128.2 Ų128.264%0.64375%0.75SS**  cis-173.8157.9-7-92.80000109.9
310N34.6Very low34.1Very low142 Ų142128.6 Ų128.676%0.75975%0.748SS**  trans69.5123.8166.6-51.9-9.7000115.6
311T32.7Very low34.5Very low126 Ų126132.7 Ų132.777%0.77375%0.753SS**  62.4129.85973.80000112.4
312V35.3Very low34.4Very low121 Ų121133.3 Ų133.373%0.73375%0.752SS**  cis-153.9162.141163.20000112.3
313D33.1Very low34.3Very low163 Ų163131.1 Ų131.187%0.87275%0.751SS**  trans80.3140.8161.5-75.2-21.5000123.8
314D36.1Very low33.4Very low151 Ų151132 Ų13281%0.80776%0.755SS**  trans-131-167.9-175.9-148.85.6000105
315P56.1Low33.7Very low99 Ų99132.2 Ų132.264%0.64376%0.755SS**  cis-137.1-161.5-11.636.1-13.2000114.5
316K31Very low33.7Very low190 Ų190135.5 Ų135.583%0.82676%0.76SS**  trans100.8129.2139.6-153168.1-169.8172.10117
317T30.2Very low33.8Very low125 Ų125134.5 Ų134.577%0.76776%0.759SS**  cis-167.1152-16-103.50000109.5
318T32.8Very low33.7Very low124 Ų124130.8 Ų130.876%0.76176%0.756SS**  trans-84.2175.9171.859.40000112
319P48.3Very low34Very low104 Ų104131.3 Ų131.368%0.67576%0.759SS**  -159.7162.39541-21.3000118.6
320T29.7Very low34.2Very low115 Ų115133.4 Ų133.471%0.70677%0.769SS**  trans60.7115.7144.947.10000121.2
321K35.7Very low34.9Very low192 Ų192132.1 Ų132.184%0.83577%0.768SS**  84.3135.772.1-84.4-170.9-172.5176.90113.8
322T28.4Very low35.2Very low120 Ų120132.3 Ų132.374%0.73677%0.769SS**  cis-131-121.4-4.4-34.50000111.3
323V32.3Very low35.5Very low132 Ų132133.7 Ų133.780%0.877%0.773SS**  cis-153.3167.51.8-145.90000110.2
324T27.3Very low35.8Very low122 Ų122133.1 Ų133.175%0.74877%0.77SS**  trans-102.8171.5174.912.90000111.8
325V32.1Very low36Very low129 Ų129133.5 Ų133.578%0.78277%0.771SS**  cis-158.9152.134.6-139.90000114.7
326K28.9Very low34.9Very low183 Ų183139.4 Ų139.480%0.79678%0.782SS**  trans84.1106.3136-147164-171177.10123.4
327S30.1Very low35Very low107 Ų107136.5 Ų136.575%0.74878%0.775SS**  trans59.6135.2135.6-52.40000120
328S30.1Very low35.4Very low106 Ų106136 Ų13674%0.74177%0.772SS**  cis-175.217939.754.20000112.8
329S36.4Very low35.6Very low114 Ų114138.4 Ų138.480%0.79778%0.78SS**  trans71.6165.416872.30000118
330T37.5Very low35.3Very low137 Ų137140.7 Ų140.784%0.8479%0.785SS**  trans-133.1-175.1-165.371.80000110.1
331P49.3Very low36Very low114 Ų114140.8 Ų140.874%0.7479%0.788SS**  -112.3160.6-123.538-21.9000115.9
332T39.6Very low36.2Very low130 Ų130140.8 Ų140.880%0.79879%0.788SS**  trans-135.5154.8155.643.20000110.4
333D40Very low36.5Very low151 Ų151139.5 Ų139.581%0.80779%0.789SS**  trans-117.796.3-170.5-177.114.9000109
334D39Very low36.7Very low151 Ų151140.3 Ų140.381%0.80779%0.787SS**  trans-112.485.8-177.4-81.5-52.6000110.5Y336D334-Y336 PolarHBondContact O-N 2.87Å
335L42.3Very low36.9Very low158 Ų158140.8 Ų140.883%0.82779%0.791SS**  trans-95.183.3175.1-167.480.8000111.2
336Y31.9Very low37.1Very low223 Ų223140 Ų14088%0.87579%0.79SS**  trans-132.9122.1169.2-108.4-85.9000115D334D334-Y336 PolarHBondContact O-N 2.87Å
337D32.2Very low38Very low130 Ų130137 Ų13770%0.69579%0.79SS**  trans77.2149.2145.2-127.5-26.1000122.8
338T40.6Very low38Very low114 Ų114138.5 Ų138.570%0.69979%0.794SS**  trans55.2115.1166.253.50000119.1
339L35.5Very low38Very low175 Ų175138.4 Ų138.492%0.91679%0.794SS**  -164.6133.7100.8-96.2177.4000112.2
340L43.2Very low37.9Very low151 Ų151137.8 Ų137.879%0.79179%0.789SS**  trans-84.2156.4171.9-94.7155.8000109.9
341P43.8Very low37.9Very low117 Ų117136.7 Ų136.776%0.7679%0.787SS**  -158.514969.740.3-18.4000121.1
342K40.3Very low37.3Very low192 Ų192140.6 Ų140.684%0.83579%0.792SS**  trans35.8143.7136-64.5-178.7175.7177.40123.9
343A34.1Very low37Very low93 Ų93140.4 Ų140.477%0.76979%0.791SS**  trans76.4159.516300000115.5
344I36Very low36.8Very low149 Ų149139.3 Ų139.376%0.76479%0.79SS**  cis-150.1154.521.2-16.9175.3000112.7
345T32.8Very low36.9Very low133 Ų133140.4 Ų140.482%0.81679%0.787SS**  trans63.5146.5153.438.70000123.4
346S34.5Very low36.5Very low111 Ų111138.9 Ų138.978%0.77678%0.78SS**  trans-82.1174.7176.4-31.30000113.1
347P47.8Very low36.8Very low120 Ų120136 Ų13678%0.77978%0.778SS**  -152.1146.171.338.9-18.1000119.8
348V30.6Very low36.9Very low139 Ų139137 Ų13784%0.84278%0.782SS**  trans21.4128.9132-179.10000121.1
349S31Very low36.6Very low105 Ų105137.4 Ų137.473%0.73478%0.784SS**  -160.7146.2128.9-170.40000113.2
350S34.7Very low36.4Very low100 Ų100134.4 Ų134.470%0.69977%0.773SS**  trans54.2102.5161.1-54.60000117.8
351S36.6Very low36Very low114 Ų114134.6 Ų134.680%0.79778%0.775SS**  cis74.710241.7-50.50000116.4
352K35.8Very low35.5Very low196 Ų196134.7 Ų134.785%0.85277%0.774SS**  -176.7121.1127.8-103.4166.3-175.8178.70113.6
353T33.7Very low35.1Very low126 Ų126135.4 Ų135.477%0.77378%0.777SS**  trans42.3135.813561.80000120.4
354V37.4Very low35.1Very low129 Ų129140.2 Ų140.278%0.78278%0.78SS**  cis-146.6148.729.6-1770000112.4
355K41Very low34.9Very low173 Ų173141.9 Ų141.975%0.75279%0.785SS**  trans-25.8168.7152.8-58.2-173.1177.5-173.10118.2
356D33.8Very low35Very low127 Ų127143.5 Ų143.568%0.67979%0.789SS**  cis-172.1152.7-23.2-89.4-31.5000106.3
357I37.3Very low34.9Very low162 Ų162146.6 Ų146.683%0.83179%0.791SS**  trans-178.4135.7135.5-96.8156.6000108.7
358I34.6Very low34.3Very low150 Ų150146.6 Ų146.677%0.76979%0.789SS**  trans-106.6124-177.4-60168.7000109.5V360I358-V360 HydrophobicContact CG2-CG2 4.21Å
359T33.7Very low34.7Very low123 Ų123146.3 Ų146.376%0.75579%0.79SS**  trans-137.899.6153.5-60.70000108.5
360V32.2Very low34.6Very low113 Ų113146.6 Ų146.669%0.68579%0.792SS**  trans-81.2125.5168.7176.90000108.1I358 T362I358-V360 HydrophobicContact CG2-CG2 4.21Å; V360-T362 HydrophobicContact CG1-CG2 4.28Å
361N34.2Very low34.5Very low155 Ų155148.4 Ų148.483%0.82980%0.799SS**  trans-141.2113.9160.3-122.1-15.2000108.9
362T32.4Very low34.6Very low119 Ų119149 Ų14973%0.7380%0.8SS**  trans-81.8132.2-172.342.60000111.9V360V360-T362 HydrophobicContact CG1-CG2 4.28Å
363K33.4Very low34.2Very low206 Ų206145.2 Ų145.290%0.89680%0.798SS**  trans-156.2148.6156.2-101.1140-172.6-179.70108.6
364K33.9Very low33.9Very low194 Ų194144.5 Ų144.584%0.84380%0.798SS**  trans-71.6146.6172.2-62.8177.3174.7-177.20109.2
365E31.8Very low33.7Very low185 Ų185144.9 Ų144.986%0.86480%0.801SS**  -179148.9107.6-96152.8-149.500109.8
366D34.9Very low33.2Very low167 Ų167146.8 Ų146.889%0.89380%0.804SS**  trans-90.3110.1-173.9-64.4-77.2000110.9
367E31.1Very low33Very low175 Ų175145.9 Ų145.982%0.81881%0.807SS**  trans-137.9138.7171-92.3-69.4136.700109.9
368T37Very low32.8Very low121 Ų121144.2 Ų144.274%0.74280%0.804SS**  trans-121.6148.2171.447.60000110.4S370T368-S370 PolarHBondContact O-N 3.26Å
369P37.7Very low32.5Very low133 Ų133142.4 Ų142.486%0.86481%0.805SS**PPolyproline II helixtrans-75.1123-153.6-19.133.6000114.1
370S29.6Very low32.3Very low110 Ų110147.5 Ų147.577%0.76981%0.812SS**PPolyproline II helixtrans-76.2124.3165.5-71.80000111.2T368T368-S370 PolarHBondContact O-N 3.26Å
371T32.2Very low32.1Very low139 Ų139146.1 Ų146.185%0.85381%0.807SS**PPolyproline II helixtrans-80.6124.7163.936.50000110
372P37.8Very low32.2Very low126 Ų126143.2 Ų143.282%0.81880%0.799SS**PPolyproline II helixtrans-84.9134-17031.8-34.8000112.9
373S27.5Very low32.1Very low116 Ų116145.1 Ų145.181%0.81181%0.805SS**  trans-138.4104.2157.3-169.60000108.8
374S29.2Very low32.6Very low111 Ų111142.6 Ų142.678%0.77680%0.8SS**  trans-133.985.5-174.7-172.10000110.6R376S374-R376 PolarHBondContact O-N 3.14Å; S374-R376 VanDerWaalsContact O-N 3.13Å
375T31.7Very low32.4Very low138 Ų138140.2 Ų140.285%0.84780%0.796SS**  trans-8483.2173.9-42.60000109.2S377T375-S377 PolarHBondContact O-N 3.15Å
376R31.8Very low32.2Very low213 Ų213138.4 Ų138.480%0.80479%0.793SS**  trans-59.7120.5179.8176.4-178.4170.4-155.2-1.2111.5S374S374-R376 PolarHBondContact O-N 3.14Å; S374-R376 VanDerWaalsContact O-N 3.13Å
377S28.8Very low32.3Very low108 Ų108136.1 Ų136.176%0.75579%0.785SS**  trans-76.8147171.945.70000112.2T375T375-S377 PolarHBondContact O-N 3.15Å
378V33Very low32.9Very low126 Ų126132.7 Ų132.776%0.76478%0.778SS**  trans-145.7135.2166.6-139.70000108.5
379S29.2Very low32.6Very low113 Ų113137.8 Ų137.879%0.7979%0.785SS**  trans-115.4141.9-174.8-45.90000111.1
380Y28.3Very low32.4Very low229 Ų229136.6 Ų136.690%0.89878%0.78SS**  trans-153.6178.1141.8-156.1-111.1000112.2
381S29.2Very low33Very low84 Ų84136.5 Ų136.559%0.58778%0.776SS**  trans-102.5166.3-148.6-56.10000116.6
382S35.9Very low32.8Very low94 Ų94136.5 Ų136.566%0.65778%0.776SS**  trans-67.6166.116952.70000115.1
383N30.5Very low32.4Very low160 Ų160135.9 Ų135.986%0.85678%0.775SS**  trans-135.3155.5140.4-76.2-57.5000109.3
384I43.1Very low32.5Very low153 Ų153135.5 Ų135.579%0.78577%0.772SS**  trans-143.4128.7176.6-61.5174000107.6
385D29.8Very low32.6Very low144 Ų144139.6 Ų139.677%0.7777%0.772SS**  trans-143146.6161.2-59.2-69.8000105.4
386D29Very low32.5Very low147 Ų147136.9 Ų136.979%0.78676%0.759SS**  cis-149.9-179.3-1.5-150-24.1000110.1
387T35.3Very low32.5Very low119 Ų119132.6 Ų132.673%0.7376%0.762SS**  trans-119.9167176.1-17.50000110.1
388P45.2Very low32.6Very low103 Ų103133 Ų13367%0.66976%0.755SS**  -162.8173.179.844.9-23.7000120
389Y30.6Very low32.8Very low227 Ų227136.2 Ų136.289%0.8976%0.755SS**  trans74.8147.2155.3-75.3-63.5000123.1
390S32.3Very low32.9Very low109 Ų109139.9 Ų139.976%0.76276%0.757SS**  trans-123.9177.2-170.3-42.20000110.1
391P42.3Very low33.1Very low107 Ų107134 Ų13470%0.69575%0.749SS**  -157.9149.387.340-20.6000118.2
392T27.8Very low33.2Very low139 Ų139139.4 Ų139.485%0.85376%0.758SS**  trans57.7159.1144.558.90000120.5
393S30Very low33.3Very low114 Ų114139.7 Ų139.780%0.79776%0.76SS**  cis-141.3172.90.562.60000111.7
394S29.2Very low33.4Very low107 Ų107142.4 Ų142.475%0.74876%0.76SS**  trans-79.6149.3169.353.80000113.4
395Y31.8Very low33Very low197 Ų197140.6 Ų140.677%0.77376%0.761SS**  170115.5123.6-154.9-119000109.2
396S29.6Very low33.5Very low82 Ų82145 Ų14557%0.57377%0.767SS**  48.1109.6101.4-147.50000115.1
397S31.4Very low34Very low122 Ų122144 Ų14485%0.85377%0.768SS**  trans-110.494.4178.759.70000111.2
398D31.5Very low33.8Very low116 Ų116145.4 Ų145.462%0.6277%0.771SS**  trans-76.1162.2171.9-91.4-62.5000113
399Y36.4Very low33.2Very low195 Ų195145.5 Ų145.577%0.76578%0.775SS**  trans-66.4136.1179.953.9-80.7000112.6
400K31.7Very low33.4Very low190 Ų190140 Ų14083%0.82677%0.769SS**  trans-162.2138.4143.9-121.1167.3-174.7172.90114.1
401S33.5Very low33.6Very low106 Ų106145.1 Ų145.174%0.74177%0.773SS**  trans-84.4143.4167.9530000111.2
402Y31.2Very low33.1Very low196 Ų196148.2 Ų148.277%0.76978%0.779SS**  trans-148.6144.5152.5-108.7-76.4000111.6
403S38.1Very low33.2Very low101 Ų101152.1 Ų152.171%0.70678%0.779SS**  trans-93.5146.7172.454.60000111
404Y32Very low33.3Very low217 Ų217150.3 Ų150.385%0.85177%0.767SS**  trans-133.4153.3164.5-87.1-78.1000112.8
405S35.1Very low33.4Very low115 Ų115150.1 Ų150.180%0.80477%0.765SS**PPolyproline II helixtrans-88.2170.5-164-57.80000114.1
406R39.5Very low33.3Very low235 Ų235148.1 Ų148.189%0.88777%0.767SS**PPolyproline II helixtrans-58.6145.4167.6-62.6177.3174.9-172.6-2.9111.4
407P40.5Very low33.3Very low126 Ų126151.4 Ų151.482%0.81878%0.778SS**PPolyproline II helixtrans-76.3151.6156.233.8-32.5000110.8
408D29.5Very low33.4Very low149 Ų149151.2 Ų151.280%0.79778%0.777SS**PPolyproline II helixtrans-93.1157.7163.6-175.719.3000109.3
409S33.8Very low33.8Very low106 Ų106151.7 Ų151.774%0.74179%0.786SS**  trans-15192.6173.866.50000110.8
410S34Very low33.7Very low111 Ų111147 Ų14778%0.77678%0.783SS**  trans-75.9143.4176.149.60000112.4
411Y36.9Very low33.6Very low216 Ų216146 Ų14685%0.84779%0.785SS**  trans-137.2126.915157.9-92000108.3
412E30.8Very low33.6Very low172 Ų172152.2 Ų152.280%0.80479%0.794SS**  trans-79.1144.6171.5-72.6-165.1124.300110.6
413Y29.9Very low33.5Very low221 Ų221147 Ų14787%0.86779%0.786SS**  trans-144.2114.6147.8-165.2-87.7000108.3
414S32.6Very low33.2Very low76 Ų76147 Ų14753%0.53179%0.786SS.*  trans-106.3137.9-160.1-69.30000113.8
415S31.1Very low33.3Very low103 Ų103143.1 Ų143.172%0.7279%0.785SS**  trans71.8148.2171.2-52.90000115.3
416L30.6Very low33.3Very low156 Ų156140.8 Ų140.882%0.81777%0.769SS**  cis-143.1159.538.3-74.6158.1000114.9
417N30Very low32.9Very low150 Ų150139.6 Ų139.680%0.80277%0.766SS**  trans57.9113.9158.8-71.125.6000121.5
418S32.1Very low32.8Very low118 Ų118143.6 Ų143.683%0.82577%0.77SS**  trans-120.1149.5141.8-69.80000106.8
419P41.3Very low32.8Very low126 Ų126142 Ų14282%0.81877%0.771SS**  -138-166.165.243.4-25.2000111.8
420S33Very low32.7Very low98 Ų98142.6 Ų142.669%0.68578%0.775SS**  cis-156.714715.358.20000114.8
421L30.2Very low32.8Very low168 Ų168142.4 Ų142.488%0.8877%0.774SS**  trans22.6111.9138.7-58.3169.8000119.6
422Y32.7Very low33.2Very low237 Ų237139.6 Ų139.693%0.92977%0.772SS**  -141.4164.8128.2-153-100.2000110.2
423S29.8Very low33.7Very low86 Ų86136.4 Ų136.460%0.60177%0.769SS**  trans-119.8151.5-155.7-164.60000114.9
424S31.8Very low34.1Very low100 Ų100132.9 Ų132.970%0.69977%0.765SS**  trans55.8112.9151.2-58.80000119.9
425T34.8Very low34.5Very low136 Ų136136.7 Ų136.783%0.83478%0.78SS**  172159.4117.4320000110.7
426S34.1Very low35Very low66 Ų66138 Ų13846%0.46278%0.777SS.*  cis-174.9138.2-43.450.70000110.2
427Y30.9Very low35.7Very low211 Ų211139 Ų13983%0.82778%0.782SS**  trans46.9108.3167.63.5-92.2000119.1
428K38.7Very low36.3Very low210 Ų210136.6 Ų136.691%0.91378%0.778SS**  -177152.8102.5-99.6175.5-179.7-1780112.9
429S30.5Very low36.6Very low115 Ų115139 Ų13980%0.80478%0.781SS**  trans-98-177.7172.5-51.20000111.5
430S30.8Very low37Very low119 Ų119137.4 Ų137.483%0.83277%0.771SS**  trans86.6120.9-176.8-55.20000113.4
431S36.1Very low37.4Very low107 Ų107140.2 Ų140.275%0.74878%0.777SS**  cis82.5129.826.5-157.60000115.1
432L44.8Very low38Very low156 Ų156142.2 Ų142.282%0.81777%0.774SS**  trans65.5115.9175.4-55.2-178.8000118.5
433S42.7Very low38Very low106 Ų106136.6 Ų136.674%0.74177%0.769SS**  -164.2115.8118.454.10000110.8
434D38.1Very low38.6Very low147 Ų147142.4 Ų142.479%0.78678%0.784SS**  trans-68.9140.4155-69.5-93.7000109
435D40.7Very low38.9Very low155 Ų155143.5 Ų143.583%0.82979%0.791SS**  trans-123.9107.8166.2-115.5-40.3000109.6
436I41.3Very low39.5Very low130 Ų130141.8 Ų141.867%0.66779%0.785SS**  trans-96.1108-179.9-59.9179.2000109S438I436-S438 VanDerWaalsContact CG2-OG 3.3Å; I436-S438 WeakPolarHBondContact CG2-OG 3.49Å; I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.1Å
437L45.9Very low40.1Very low177 Ų177145.4 Ų145.493%0.92780%0.804SS**  trans-74.696160.4-68.1-179.6000109.5
438S42.6Very low40.9Very low101 Ų101142.1 Ų142.171%0.70679%0.794SS**  trans-90.7108.1171.5-69.80000110.6I436I436-S438 VanDerWaalsContact CG2-OG 3.3Å; I436-S438 WeakPolarHBondContact CG2-OG 3.49Å; I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.1Å
439D37Very low41.4Very low168 Ų168135.2 Ų135.290%0.89877%0.773SS**  trans-92.1126.7165.5-133.9-14.4000109.4
440P50.2Low42.1Very low93 Ų93136.6 Ų136.660%0.60478%0.776SS**  trans-111.5139.1-159.740.2-33.7000115.8
441I42.8Very low42.8Very low157 Ų157141.9 Ų141.981%0.80578%0.779SS**  trans65.3136.8160.9-6.2-171.1000115.3
442Y41.1Very low43.2Very low209 Ų209143.3 Ų143.382%0.8277%0.774SS**  cis-152.7122.817.4-173.2-83.4000112
443S34.3Very low43.1Very low119 Ų119140.4 Ų140.483%0.83277%0.767SS**  trans-175.269.1154-870000111.2
444K40.7Very low43.9Very low209 Ų209139.7 Ų139.791%0.90976%0.76SS**  trans-96.8106176-75.2-175.8177.7178.40111.2
445S38.8Very low44.4Very low122 Ų122140 Ų14085%0.85376%0.761SS**  trans-142.378.8151.3-1590000109.3
446S48.2Very low45.4Very low101 Ų101140.6 Ų140.671%0.70675%0.752SS**  trans-127.186.8-179-1770000109.8K448S446-K448 PolarHBondContact O-N 3.08Å
447T45.5Very low46.3Very low141 Ų141139 Ų13987%0.86575%0.75SS**  trans-87.245.5161.447.10000110S449T447-S449 PolarHBondContact O-N 3.22Å
448K48Very low46.8Very low143 Ų143135.5 Ų135.562%0.62274%0.735SS**  trans-7093.4178.3-171.6173.7-175.9176.40109.6S446 V450S446-K448 PolarHBondContact O-N 3.08Å; K448-V450 PolarHBondContact O-N 2.9Å
449S48.5Very low47.9Very low65 Ų65133.6 Ų133.646%0.45572%0.717SS.*  trans-63131.7174.669.50000110.2T447 Y451 Q452T447-S449 PolarHBondContact O-N 3.22Å; S449-Y451 PolarHBondContact O-N 3.35Å; S449-Q452 PolarHBondContact O-N 2.87Å
450V46.1Very low49.1Very low143 Ų143134.3 Ų134.387%0.86772%0.715SS**THydrogen-bonded Turntrans-76.614.5-168.7-169.70000112.8K448K448-V450 PolarHBondContact O-N 2.9Å
451Y45.2Very low50.1Low231 Ų231135.9 Ų135.991%0.90671%0.712SS**THydrogen-bonded Turntrans-118.42.3177.1-90.7-85.3000114.2S449S449-Y451 PolarHBondContact O-N 3.35Å
452Q45Very low52.1Low137 Ų137130.6 Ų130.664%0.6469%0.686SS**SBendtrans-89.7113.9166.8-80.1-176.3-38.400110.7S449 P454S449-Q452 PolarHBondContact O-N 2.87Å; Q452-P454 WeakPolarHBondContact O-CD 3.32Å
453S41.8Very low54.4Low95 Ų95123.3 Ų123.366%0.66466%0.661SS**  trans-57.6121.2168.152.30000110D455S453-D455 VanDerWaalsContact C-N 3.31Å; S453-D455 PolarHBondContact O-N 2.91Å
454P59.5Low57.1Low91 Ų91117.6 Ų117.659%0.59162%0.621SS**THydrogen-bonded Turntrans-62.7-33.8-173.2-2535.2000114.5Q452 R456Q452-P454 WeakPolarHBondContact O-CD 3.32Å; P454-R456 PolarHBondContact O-N 2.95Å
455D50Low59.5Low152 Ų152110.5 Ų110.581%0.81360%0.595SS**THydrogen-bonded Turntrans-104.346.1-164.2-57.9-67.1000114.1S453S453-D455 VanDerWaalsContact C-N 3.31Å; S453-D455 PolarHBondContact O-N 2.91Å
456R60.5Low61.9Low168 Ų168109 Ų10963%0.63458%0.581SS**SBendtrans-90117.6150.7-161.6-178.6-158.5-143.310.1107P454 V458P454-R456 PolarHBondContact O-N 2.95Å; R456-V458 PolarHBondContact O-N 3.33Å
457P59.9Low64Low97 Ų97106.6 Ų106.663%0.6356%0.564SS**  trans-58.4129176.724.8-33.4000108.5L459P457-L459 PolarHBondContact O-N 3.46Å
458V57Low66.1Low103 Ų103108.9 Ų108.962%0.62456%0.556SS**  trans-60.8103.6178.8179.90000107.5R456 D462 L463R456-V458 PolarHBondContact O-N 3.33Å; V458-D462 HydrophobicContact CG1-CB 4.06Å; V458-L463 HydrophobicContact CG1-CD2 3.89Å; V458-L463 HydrophobicContact CG1-CG 4.11Å
459L65.3Low68.1Low62 Ų62108.8 Ų108.833%0.32556%0.556SS.*  trans-73.6157.5179.8-75.3155.3000108.4P457 K461 D462P457-L459 PolarHBondContact O-N 3.46Å; L459-K461 HydrophobicContact CB-CB 4.13Å; L459-K461 HydrophobicContact CB-CD 4.12Å; L459-K461 HydrophobicContact CB-CG 4.16Å; L459-K461 HydrophobicContact CD1-CD 4.26Å; L459-K461 PolarHBondContact O-N 2.85Å; L459-D462 WeakPolarHBondContact CB-OD2 3.43Å; L459-D462 PolarHBondContact N-OD2 3.13Å; L459-D462 WeakPolarHBondContact O-CB 3.47Å; L459-D462 PolarHBondContact O-N 3.12Å
460E62.5Low70.1Confident182 Ų182109 Ų10985%0.8556%0.556SS**G310 helixtrans-51.8-25.6171.8-169-178.7-171.200112.6D462E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.23Å
461K71.1Confident72Confident126 Ų126104 Ų10455%0.54852%0.522SS..G310 helixtrans-67.5-21.8176-50.8167.5-168.2175.40114.2L459L459-K461 HydrophobicContact CB-CB 4.13Å; L459-K461 HydrophobicContact CB-CD 4.12Å; L459-K461 HydrophobicContact CB-CG 4.16Å; L459-K461 HydrophobicContact CD1-CD 4.26Å; L459-K461 PolarHBondContact O-N 2.85Å
462D85.1Confident73.8Confident46 Ų4698.4 Ų98.425%0.24651%0.512CS..G310 helixtrans-100.40.5-170.7-56.4-36.5000112.4V458 L459 E460 P470 F471V458-D462 HydrophobicContact CG1-CB 4.06Å; L459-D462 WeakPolarHBondContact CB-OD2 3.43Å; L459-D462 PolarHBondContact N-OD2 3.13Å; L459-D462 WeakPolarHBondContact O-CB 3.47Å; L459-D462 PolarHBondContact O-N 3.12Å; E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.23Å; D462-P470 WeakPolarHBondContact O-CA 3.3Å; D462-F471 VanDerWaalsContact C-CD2 3.45Å; D462-F471 WeakPolarHBondContact O-CD2 3.5Å; D462-F471 PolarHBondContact O-N 3.47Å
463L89.3Confident75.2Confident56 Ų5695.5 Ų95.529%0.29352%0.519SS..BIsolated β-bridgetrans-109.7143.1175.3-59.6-178.6000111.5V458 T465 P470V458-L463 HydrophobicContact CG1-CD2 3.89Å; V458-L463 HydrophobicContact CG1-CG 4.11Å; L463-T465 PolarHBondContact O-N 3.4Å; L463-P470 HydrophobicContact CD2-CB 3.9Å
464C91.5Very high76.9Confident0 Ų095.2 Ų95.20%051%0.511CS..  trans-69.6122.1170.6174.40000111T466 C467 R468 K469 F471 N485 C486 H487C464-T466 VanDerWaalsContact C-N 3.3Å; C464-T466 PolarHBondContact O-N 2.98Å; C464-C467 PolarHBondContact O-N 3.48Å; C464-C467 PolarHBondContact SG-SG 2.9Å; C464-R468 WeakPolarHBondContact O-CA 3.17Å; C464-R468 PolarHBondContact O-N 2.78Å; C464-K469 WeakPolarHBondContact CB-O 3.4Å; C464-K469 PolarHBondContact N-O 3.31Å; C464-F471 HydrophobicContact CB-CE1 4.13Å; C464-F471 HydrophobicContact CB-CZ 4.17Å; C464-N485 CarbonylContact C-O 3.58Å; C464-N485 WeakPolarHBondContact CA-O 3.49Å; C464-C486 VanDerWaalsContact SG-CA 3.56Å; C464-C486 VanDerWaalsContact SG-CB 3.57Å; C464-H487 WeakPolarHBondContact CB-CE1 3.5Å
465T89.8Confident77.9Confident59 Ų5994.6 Ų94.636%0.36251%0.513SS..THydrogen-bonded Turntrans-57.9-40.4179.454.40000112.5L463 R468 N485L463-T465 PolarHBondContact O-N 3.4Å; T465-R468 PolarHBondContact O-NE 3.21Å; T465-N485 PolarHBondContact N-O 2.76Å; T465-N485 PolarHBondContact OG1-O 3.43Å
466T89.8Confident79.7Confident92 Ų9292.7 Ų92.756%0.56450%0.497SS*.THydrogen-bonded Turntrans-72-40.9-177-38.20000113.8C464 C490C464-T466 VanDerWaalsContact C-N 3.3Å; C464-T466 PolarHBondContact O-N 2.98Å; T466-C490 HydrophobicContact CG2-CB 4.45Å
467C92.1Very high81Confident50 Ų5087.6 Ų87.634%0.33848%0.482SS..THydrogen-bonded Turntrans-122.90.3-17275.30000115.2C464 K469 H487C464-C467 PolarHBondContact O-N 3.48Å; C464-C467 PolarHBondContact SG-SG 2.9Å; C467-K469 PolarHBondContact O-N 3.42Å; C467-H487 VanDerWaalsContact SG-CE1 3.6Å
468R90.6Very high82.4Confident188 Ų18885.4 Ų85.471%0.70947%0.466SS*.  trans55.910.5178.3-54.3-54.9-175.4105.41.1116.7C464 T465C464-R468 WeakPolarHBondContact O-CA 3.17Å; C464-R468 PolarHBondContact O-N 2.78Å; T465-R468 PolarHBondContact O-NE 3.21Å
469K89.8Confident83.9Confident141 Ų14182.5 Ų82.561%0.61345%0.447SS*.  trans-81.4147.1171.5-61.8-177.2-178.4-1750111C464 C467C464-K469 WeakPolarHBondContact CB-O 3.4Å; C464-K469 PolarHBondContact N-O 3.31Å; C467-K469 PolarHBondContact O-N 3.42Å
470P89.4Confident84.9Confident70 Ų7085 Ų8546%0.45546%0.461SS..BIsolated β-bridgetrans-72.5153.6175.431.3-36000112.2D462 L463 T472D462-P470 WeakPolarHBondContact O-CA 3.3Å; L463-P470 HydrophobicContact CD2-CB 3.9Å; P470-T472 PolarHBondContact O-N 3.17Å
471F87Confident86Confident37 Ų3784.2 Ų84.216%0.16246%0.463CS..  trans-74.4100.3176.6-60.4-68.2000111.9D462 C464 G473 K476 N485 H487D462-F471 VanDerWaalsContact C-CD2 3.45Å; D462-F471 WeakPolarHBondContact O-CD2 3.5Å; D462-F471 PolarHBondContact O-N 3.47Å; C464-F471 HydrophobicContact CB-CE1 4.13Å; C464-F471 HydrophobicContact CB-CZ 4.17Å; F471-G473 PolarHBondContact O-N 2.77Å; F471-K476 HydrophobicContact CD1-CB 3.91Å; F471-K476 HydrophobicContact CD2-CD 4.45Å; F471-K476 HydrophobicContact CE1-CB 3.82Å; F471-K476 HydrophobicContact CG-CB 4.48Å; F471-K476 HydrophobicContact CZ-CB 4.3Å; F471-N485 HydrophobicContact CE2-CB 4.28Å; F471-N485 HydrophobicContact CZ-CB 4.13Å; F471-H487 AromaticContact CD1-CD2 3.48Å; F471-H487 VanDerWaalsContact CD1-CD2 3.48Å; F471-H487 WeakPolarHBondContact CD1-CD2 3.32Å; F471-H487 AromaticContact CD1-NE2 3.5Å; F471-H487 WeakPolarHBondContact CD1-NE2 3.34Å; F471-H487 AromaticContact CE1-CD2 3.76Å; F471-H487 AromaticContact CE1-NE2 3.86Å
472T82.6Confident86.6Confident114 Ų11479.6 Ų79.670%0.69944%0.443SS*.SBendtrans-79.23718044.20000114.1P470P470-T472 PolarHBondContact O-N 3.17Å
473G75.3Confident86.6Confident76 Ų7685.6 Ų85.678%0.78447%0.467SS*.SBendtrans87.70.4-173.900000114.9F471F471-G473 PolarHBondContact O-N 2.77Å
474D76.7Confident86.6Confident90 Ų9084.5 Ų84.548%0.48146%0.461SS..  trans-65.3154177.2-67.5-32.4000113K476 H487D474-K476 PolarHBondContact O-N 3.11Å; D474-K476 VanDerWaalsContact O-N 3.11Å; D474-H487 IonicContact OD2-CD2 3.98Å
475A81.1Confident86.5Confident78 Ų7885.4 Ų85.465%0.64547%0.466SS*.  trans-60.7113.6171.700000111A488A475-A488 PolarHBondContact O-N 3.09Å; A475-A488 VanDerWaalsContact O-N 3.09Å
476K87.4Confident86.6Confident111 Ų11182.6 Ų82.648%0.48345%0.449SS..EExtended strand (participates in β ladder)trans-96.7134179.864170.8-170.4165.30112.3F471 D474 V478 C486F471-K476 HydrophobicContact CD1-CB 3.91Å; F471-K476 HydrophobicContact CD2-CD 4.45Å; F471-K476 HydrophobicContact CE1-CB 3.82Å; F471-K476 HydrophobicContact CG-CB 4.48Å; F471-K476 HydrophobicContact CZ-CB 4.3Å; D474-K476 PolarHBondContact O-N 3.11Å; D474-K476 VanDerWaalsContact O-N 3.11Å; K476-V478 HydrophobicContact CB-CG2 4.4Å; K476-V478 HydrophobicContact CD-CG2 3.66Å; K476-V478 HydrophobicContact CG-CG2 3.88Å; K476-C486 CarbonylContact C-O 3.49Å; K476-C486 WeakPolarHBondContact CA-O 3.44Å
477M87.8Confident86.7Confident62 Ų6278.8 Ų78.831%0.30543%0.425SS..EExtended strand (participates in β ladder)trans-88.3121.1165.3-63.5-57.4-60.600108.2C486 F491M477-C486 PolarHBondContact N-O 3.17Å; M477-C486 PolarHBondContact O-N 3.13Å; M477-F491 HydrophobicContact CB-CB 4.06Å; M477-F491 HydrophobicContact CB-CD1 4.11Å; M477-F491 HydrophobicContact CB-CD2 4.26Å; M477-F491 HydrophobicContact CB-CG 3.89Å; M477-F491 HydrophobicContact CE-CD1 3.86Å; M477-F491 HydrophobicContact CE-CE1 3.79Å; M477-F491 HydrophobicContact CG-CB 3.8Å; M477-F491 HydrophobicContact CG-CD1 3.76Å; M477-F491 HydrophobicContact CG-CG 3.85Å; M477-F491 HydrophobicContact SD-CD1 4.49Å
478V89.2Confident86.5Confident51 Ų5177.2 Ų77.231%0.30942%0.415SS..EExtended strand (participates in β ladder)trans-125125.5-178.4179.20000108.9K476 D480 I484 N485K476-V478 HydrophobicContact CB-CG2 4.4Å; K476-V478 HydrophobicContact CD-CG2 3.66Å; K476-V478 HydrophobicContact CG-CG2 3.88Å; V478-D480 WeakPolarHBondContact CG1-OD1 3.38Å; V478-I484 CarbonylContact C-O 3.59Å; V478-I484 WeakPolarHBondContact CA-O 3.47Å; V478-N485 WeakPolarHBondContact CG2-OD1 3.14Å
479L89.2Confident86.5Confident41 Ų4171.8 Ų71.822%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-134.586.1177.1-75.3149.9000107.6D481 M482 K483 I484 F491 M509 I511L479-D481 VanDerWaalsContact C-N 3.33Å; L479-D481 PolarHBondContact O-N 2.68Å; L479-M482 HydrophobicContact CB-CE 3.76Å; L479-M482 HydrophobicContact CD1-CE 3.73Å; L479-M482 HydrophobicContact CD2-CE 4.13Å; L479-M482 HydrophobicContact CG-CE 4.08Å; L479-M482 PolarHBondContact O-N 2.64Å; L479-M482 VanDerWaalsContact O-N 3.14Å; L479-K483 PolarHBondContact O-N 3.45Å; L479-K483 VanDerWaalsContact O-N 3.1Å; L479-I484 HydrophobicContact CB-CB 4.31Å; L479-I484 PolarHBondContact N-O 2.93Å; L479-I484 PolarHBondContact O-N 2.85Å; L479-I484 VanDerWaalsContact O-N 3.08Å; L479-F491 HydrophobicContact CD1-CE1 4.44Å; L479-F491 HydrophobicContact CD1-CE2 3.55Å; L479-F491 HydrophobicContact CD1-CZ 3.38Å; L479-M509 HydrophobicContact CD1-CE 4.29Å; L479-I511 HydrophobicContact CD2-CD1 4.36Å
480D86.6Confident86.6Confident116 Ų11666.1 Ų66.162%0.6238%0.381SS*.G310 helixtrans-60.9-37.5-169.2-70.6-51000113.1V478 M482 K483V478-D480 WeakPolarHBondContact CG1-OD1 3.38Å; D480-M482 PolarHBondContact O-N 3Å; D480-M482 VanDerWaalsContact O-N 3.15Å; D480-K483 WeakPolarHBondContact O-CA 3.48Å; D480-K483 PolarHBondContact O-N 2.94Å
481D84.6Confident86.7Confident165 Ų16563 Ų6388%0.88236%0.36SS*.G310 helixtrans-58.4-28.4177.5-59.3-31.6000113.5L479L479-D481 VanDerWaalsContact C-N 3.33Å; L479-D481 PolarHBondContact O-N 2.68Å
482M84.5Confident87Confident29 Ų2965.7 Ų65.714%0.14337%0.371CS..G310 helixtrans-103-1.6175.1-64.9-175.1-71.800112.8L479 D480 I484 I511 V516L479-M482 HydrophobicContact CB-CE 3.76Å; L479-M482 HydrophobicContact CD1-CE 3.73Å; L479-M482 HydrophobicContact CD2-CE 4.13Å; L479-M482 HydrophobicContact CG-CE 4.08Å; L479-M482 PolarHBondContact O-N 2.64Å; L479-M482 VanDerWaalsContact O-N 3.14Å; D480-M482 PolarHBondContact O-N 3Å; D480-M482 VanDerWaalsContact O-N 3.15Å; M482-I484 HydrophobicContact CB-CB 4.5Å; M482-I484 HydrophobicContact CB-CD1 3.88Å; M482-I484 HydrophobicContact CB-CG1 3.81Å; M482-I484 HydrophobicContact CE-CD1 3.97Å; M482-I484 PolarHBondContact O-N 2.84Å; M482-I484 HydrophobicContact SD-CD1 4.03Å; M482-I511 HydrophobicContact CE-CD1 3.48Å; M482-I511 VanDerWaalsContact CE-CD1 3.48Å; M482-I511 HydrophobicContact CE-CG1 3.72Å; M482-I511 HydrophobicContact CE-CG2 4.21Å; M482-I511 HydrophobicContact CG-CG2 4.43Å; M482-I511 HydrophobicContact SD-CB 4.38Å; M482-I511 HydrophobicContact SD-CD1 4.22Å; M482-I511 HydrophobicContact SD-CG1 4.06Å; M482-I511 HydrophobicContact SD-CG2 3.44Å; M482-I511 WeakPolarHBondContact SD-CG2 3.4Å; M482-V516 HydrophobicContact CE-CG2 3.94Å; M482-V516 HydrophobicContact SD-CG2 4.29Å
483K84.9Confident87.5Confident172 Ų17260.3 Ų60.375%0.74834%0.338SS*.THydrogen-bonded Turntrans5427.6-168.9-55.7-173.9177.2-173.40113.8L479 D480 N485L479-K483 PolarHBondContact O-N 3.45Å; L479-K483 VanDerWaalsContact O-N 3.1Å; D480-K483 WeakPolarHBondContact O-CA 3.48Å; D480-K483 PolarHBondContact O-N 2.94Å; K483-N485 PolarHBondContact O-N 3.12Å
484I88.2Confident88.2Confident32 Ų3260.1 Ų60.116%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-86.2108.2179.2-63.4177000108.8V478 L479 M482 C486 F491 V516V478-I484 CarbonylContact C-O 3.59Å; V478-I484 WeakPolarHBondContact CA-O 3.47Å; L479-I484 HydrophobicContact CB-CB 4.31Å; L479-I484 PolarHBondContact N-O 2.93Å; L479-I484 PolarHBondContact O-N 2.85Å; L479-I484 VanDerWaalsContact O-N 3.08Å; M482-I484 HydrophobicContact CB-CB 4.5Å; M482-I484 HydrophobicContact CB-CD1 3.88Å; M482-I484 HydrophobicContact CB-CG1 3.81Å; M482-I484 HydrophobicContact CE-CD1 3.97Å; M482-I484 PolarHBondContact O-N 2.84Å; M482-I484 HydrophobicContact SD-CD1 4.03Å; I484-C486 HydrophobicContact CG2-CB 4.49Å; I484-F491 HydrophobicContact CG2-CD2 4.47Å; I484-F491 HydrophobicContact CG2-CE2 4.4Å; I484-V516 HydrophobicContact CD1-CG2 4.06Å
485N89.6Confident89Confident19 Ų1959.3 Ų59.310%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-112.7114.9168.2-71.6-83.7000107.5C464 T465 F471 V478 K483C464-N485 CarbonylContact C-O 3.58Å; C464-N485 WeakPolarHBondContact CA-O 3.49Å; T465-N485 PolarHBondContact N-O 2.76Å; T465-N485 PolarHBondContact OG1-O 3.43Å; F471-N485 HydrophobicContact CE2-CB 4.28Å; F471-N485 HydrophobicContact CZ-CB 4.13Å; V478-N485 WeakPolarHBondContact CG2-OD1 3.14Å; K483-N485 PolarHBondContact O-N 3.12Å
486C92Very high89.5Confident0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-153.6159.9-177.562.40000113.5C464 K476 M477 I484 C490 F491C464-C486 VanDerWaalsContact SG-CA 3.56Å; C464-C486 VanDerWaalsContact SG-CB 3.57Å; K476-C486 CarbonylContact C-O 3.49Å; K476-C486 WeakPolarHBondContact CA-O 3.44Å; M477-C486 PolarHBondContact N-O 3.17Å; M477-C486 PolarHBondContact O-N 3.13Å; I484-C486 HydrophobicContact CG2-CB 4.49Å; C486-C490 HydrophobicContact CB-CB 4.15Å; C486-F491 WeakPolarHBondContact SG-CD2 3.49Å
487H91.7Very high89.7Confident13 Ų1358.7 Ų58.76%0.0631%0.313CS..EExtended strand (participates in β ladder)trans-65.4151.2174-51106.3000110.2C464 C467 F471 D474 T489 C490 F491C464-H487 WeakPolarHBondContact CB-CE1 3.5Å; C467-H487 VanDerWaalsContact SG-CE1 3.6Å; F471-H487 AromaticContact CD1-CD2 3.48Å; F471-H487 VanDerWaalsContact CD1-CD2 3.48Å; F471-H487 WeakPolarHBondContact CD1-CD2 3.32Å; F471-H487 AromaticContact CD1-NE2 3.5Å; F471-H487 WeakPolarHBondContact CD1-NE2 3.34Å; F471-H487 AromaticContact CE1-CD2 3.76Å; F471-H487 AromaticContact CE1-NE2 3.86Å; D474-H487 IonicContact OD2-CD2 3.98Å; H487-T489 PolarHBondContact O-N 2.91Å; H487-T489 VanDerWaalsContact O-N 3.12Å; H487-C490 HydrophobicContact CB-CB 4.1Å; H487-C490 PolarHBondContact ND1-SG 3.09Å; H487-C490 VanDerWaalsContact ND1-SG 3.42Å; H487-C490 CarbonylContact O-C 3.53Å; H487-C490 WeakPolarHBondContact O-CA 3.48Å; H487-C490 WeakPolarHBondContact O-CB 3.47Å; H487-C490 PolarHBondContact O-N 3.48Å; H487-F491 PolarHBondContact O-N 3.03Å
488A89.3Confident89.8Confident16 Ų1657.2 Ų57.213%0.13231%0.314CS..THydrogen-bonded Turntrans-50.3-36.6170.400000113.3A475 G501A475-A488 PolarHBondContact O-N 3.09Å; A475-A488 VanDerWaalsContact O-N 3.09Å; A488-G501 VanDerWaalsContact O-CA 3.31Å; A488-G501 WeakPolarHBondContact O-CA 3.48Å; A488-G501 PolarHBondContact O-N 3.46Å
489T90.2Very high89.9Confident75 Ų7557.4 Ų57.446%0.4632%0.318SS..THydrogen-bonded Turntrans-73.4-23.1175.451.60000114.4H487 K492 Y502H487-T489 PolarHBondContact O-N 2.91Å; H487-T489 VanDerWaalsContact O-N 3.12Å; T489-K492 WeakPolarHBondContact O-CE 3.45Å; T489-Y502 WeakPolarHBondContact CG2-OH 3.48Å
490C91.5Very high89.9Confident21 Ų2156 Ų5614%0.14231%0.311CS..THydrogen-bonded Turntrans-92-15.7177-66.50000113T466 C486 H487 K492T466-C490 HydrophobicContact CG2-CB 4.45Å; C486-C490 HydrophobicContact CB-CB 4.15Å; H487-C490 HydrophobicContact CB-CB 4.1Å; H487-C490 PolarHBondContact ND1-SG 3.09Å; H487-C490 VanDerWaalsContact ND1-SG 3.42Å; H487-C490 CarbonylContact O-C 3.53Å; H487-C490 WeakPolarHBondContact O-CA 3.48Å; H487-C490 WeakPolarHBondContact O-CB 3.47Å; H487-C490 PolarHBondContact O-N 3.48Å; C490-K492 PolarHBondContact O-N 3.2Å
491F91.8Very high89.8Confident6 Ų651.3 Ų51.33%0.02629%0.289CS..  trans-81113.1179.2-166.4-126.3000110.3M477 L479 I484 C486 H487 L500 M509 V516M477-F491 HydrophobicContact CB-CB 4.06Å; M477-F491 HydrophobicContact CB-CD1 4.11Å; M477-F491 HydrophobicContact CB-CD2 4.26Å; M477-F491 HydrophobicContact CB-CG 3.89Å; M477-F491 HydrophobicContact CE-CD1 3.86Å; M477-F491 HydrophobicContact CE-CE1 3.79Å; M477-F491 HydrophobicContact CG-CB 3.8Å; M477-F491 HydrophobicContact CG-CD1 3.76Å; M477-F491 HydrophobicContact CG-CG 3.85Å; M477-F491 HydrophobicContact SD-CD1 4.49Å; L479-F491 HydrophobicContact CD1-CE1 4.44Å; L479-F491 HydrophobicContact CD1-CE2 3.55Å; L479-F491 HydrophobicContact CD1-CZ 3.38Å; I484-F491 HydrophobicContact CG2-CD2 4.47Å; I484-F491 HydrophobicContact CG2-CE2 4.4Å; C486-F491 WeakPolarHBondContact SG-CD2 3.49Å; H487-F491 PolarHBondContact O-N 3.03Å; F491-L500 HydrophobicContact CD1-CB 3.6Å; F491-L500 HydrophobicContact CE1-CB 3.85Å; F491-L500 HydrophobicContact CE1-CD1 4.46Å; F491-L500 HydrophobicContact CG-CB 4.42Å; F491-L500 PolarHBondContact O-N 3.22Å; F491-M509 HydrophobicContact CE1-CE 4.03Å; F491-M509 HydrophobicContact CE1-SD 3.35Å; F491-M509 WeakPolarHBondContact CE1-SD 3.31Å; F491-M509 HydrophobicContact CZ-CE 3.79Å; F491-M509 HydrophobicContact CZ-SD 3.33Å; F491-M509 WeakPolarHBondContact CZ-SD 3.4Å; F491-V516 HydrophobicContact CE2-CG1 4.16Å; F491-V516 HydrophobicContact CE2-CG2 4.11Å; F491-V516 HydrophobicContact CZ-CG1 3.83Å; F491-V516 HydrophobicContact CZ-CG2 4.38Å
492K93Very high89.8Confident92 Ų9250.3 Ų50.340%0.427%0.274SS..BIsolated β-bridgetrans-142.3153-165.9-70-176.6166.6-146.80112.2T489 C490 N497 G498T489-K492 WeakPolarHBondContact O-CE 3.45Å; C490-K492 PolarHBondContact O-N 3.2Å; K492-N497 WeakPolarHBondContact CD-O 3.33Å; K492-G498 VanDerWaalsContact CA-O 3.28Å; K492-G498 WeakPolarHBondContact CA-O 3.41Å
493C92.8Very high89.7Confident1 Ų151.8 Ų51.81%0.00728%0.282CS..  trans-69.3128.3169.7176.30000110.5V495 C496 N497 G498 L500 V516 C518C493-V495 PolarHBondContact O-N 2.79Å; C493-C496 VanDerWaalsContact CB-SG 3.54Å; C493-N497 WeakPolarHBondContact O-CA 3.19Å; C493-N497 PolarHBondContact O-N 2.86Å; C493-G498 PolarHBondContact N-O 3.47Å; C493-L500 HydrophobicContact CB-CD1 4.19Å; C493-L500 HydrophobicContact CB-CG 4.44Å; C493-V516 WeakPolarHBondContact CA-O 3.48Å; C493-C518 HydrophobicContact CB-CB 4.25Å; C493-C518 PolarHBondContact SG-N 3.31Å
494D91.3Very high89.5Confident72 Ų7250.3 Ų50.339%0.38528%0.275SS..THydrogen-bonded Turntrans-61.5-24-179.5-173.881.3000113.9K515 V516D494-K515 HydrophobicContact CB-CB 4.16Å; D494-K515 HydrophobicContact CB-CG 4.43Å; D494-K515 IonicContact OD1-NZ 2.64Å; D494-K515 PolarHBondContact OD1-NZ 3.04Å; D494-K515 WeakPolarHBondContact OD2-CD 3.2Å; D494-K515 IonicContact OD2-NZ 2.68Å; D494-K515 PolarHBondContact OD2-NZ 3.01Å; D494-V516 WeakPolarHBondContact CB-O 2.97Å; D494-V516 PolarHBondContact N-O 2.88Å
495V91.9Very high89.2Confident74 Ų7454.3 Ų54.345%0.44831%0.313SS..THydrogen-bonded Turntrans-95.4-47.7-174.9174.90000112.3C493 H517 C521 T525C493-V495 PolarHBondContact O-N 2.79Å; V495-H517 WeakPolarHBondContact CG2-ND1 3.47Å; V495-C521 HydrophobicContact CB-CB 4.02Å; V495-C521 HydrophobicContact CG1-CB 4.22Å; V495-C521 HydrophobicContact CG2-CB 4.5Å; V495-T525 HydrophobicContact CG2-CG2 4.37Å
496C92.9Very high88.8Confident69 Ų6957 Ų5747%0.46635%0.345SS..THydrogen-bonded Turntrans-105.5-3.3-176.268.20000114.6C493 G498C493-C496 VanDerWaalsContact CB-SG 3.54Å; C496-G498 PolarHBondContact O-N 3.28Å
497N91.1Very high88.6Confident106 Ų10661.2 Ų61.257%0.56737%0.367SS*.  trans57.310.2-175.1-67.1-79.4000115.8K492 C493K492-N497 WeakPolarHBondContact CD-O 3.33Å; C493-N497 WeakPolarHBondContact O-CA 3.19Å; C493-N497 PolarHBondContact O-N 2.86Å
498G89.9Confident88.4Confident31 Ų3163.4 Ų63.432%0.3238%0.384SS..  trans-65.7139.2174.200000112.1K492 C493 C496K492-G498 VanDerWaalsContact CA-O 3.28Å; K492-G498 WeakPolarHBondContact CA-O 3.41Å; C493-G498 PolarHBondContact N-O 3.47Å; C496-G498 PolarHBondContact O-N 3.28Å
499S90.9Very high88.4Confident56 Ų5665.2 Ų65.239%0.39239%0.391SS..BIsolated β-bridgetrans-72.9123.9-177.1-56.20000112.2
500L89.4Confident88.5Confident11 Ų1166.4 Ų66.46%0.05839%0.387CS..  trans-99-19.7-178.5-62.2178.7000113F491 C493 Y502 M503 M509 V516 C518F491-L500 HydrophobicContact CD1-CB 3.6Å; F491-L500 HydrophobicContact CE1-CB 3.85Å; F491-L500 HydrophobicContact CE1-CD1 4.46Å; F491-L500 HydrophobicContact CG-CB 4.42Å; F491-L500 PolarHBondContact O-N 3.22Å; C493-L500 HydrophobicContact CB-CD1 4.19Å; C493-L500 HydrophobicContact CB-CG 4.44Å; L500-Y502 PolarHBondContact O-N 2.88Å; L500-M503 HydrophobicContact CB-SD 3.99Å; L500-M503 HydrophobicContact CD2-SD 3.93Å; L500-M503 HydrophobicContact CG-SD 4.49Å; L500-M503 WeakPolarHBondContact O-CB 3.45Å; L500-M503 WeakPolarHBondContact O-CG 3.37Å; L500-M503 PolarHBondContact O-N 3.04Å; L500-M503 VanDerWaalsContact O-N 3.1Å; L500-M509 HydrophobicContact CD1-CG 4.27Å; L500-M509 HydrophobicContact CD1-SD 3.97Å; L500-V516 HydrophobicContact CD1-CG1 3.51Å; L500-C518 HydrophobicContact CD2-CB 3.86Å
501G85.2Confident88.5Confident17 Ų1769.5 Ų69.518%0.17540%0.401CS..THydrogen-bonded Turntrans-69.13-179.700000116.2A488A488-G501 VanDerWaalsContact O-CA 3.31Å; A488-G501 WeakPolarHBondContact O-CA 3.48Å; A488-G501 PolarHBondContact O-N 3.46Å
502Y83.2Confident88.3Confident144 Ų14472.4 Ų72.457%0.56541%0.412SS*.THydrogen-bonded Turntrans-102.8-1.3172.2-64.6-64.9000113.9T489 L500 K504T489-Y502 WeakPolarHBondContact CG2-OH 3.48Å; L500-Y502 PolarHBondContact O-N 2.88Å; Y502-K504 PolarHBondContact O-NZ 3.06Å
503M82.1Confident87.9Confident61 Ų6175.5 Ų75.530%0.343%0.426SS..  trans-52.9146.2175.9-76.5172.271.200112.2L500 D507 S508 M509L500-M503 HydrophobicContact CB-SD 3.99Å; L500-M503 HydrophobicContact CD2-SD 3.93Å; L500-M503 HydrophobicContact CG-SD 4.49Å; L500-M503 WeakPolarHBondContact O-CB 3.45Å; L500-M503 WeakPolarHBondContact O-CG 3.37Å; L500-M503 PolarHBondContact O-N 3.04Å; L500-M503 VanDerWaalsContact O-N 3.1Å; M503-D507 VanDerWaalsContact CA-OD2 3.23Å; M503-D507 WeakPolarHBondContact CA-OD2 3.33Å; M503-D507 HydrophobicContact CB-CB 3.93Å; M503-D507 HydrophobicContact CE-CB 3.47Å; M503-D507 VanDerWaalsContact CE-CB 3.47Å; M503-D507 WeakPolarHBondContact CE-O 3.41Å; M503-D507 HydrophobicContact CG-CB 4.01Å; M503-S508 WeakPolarHBondContact CE-O 3.35Å; M503-M509 HydrophobicContact CE-CB 3.72Å; M503-M509 HydrophobicContact SD-CB 4.12Å
504K81.4Confident87.6Confident141 Ų14185.4 Ų85.461%0.61346%0.463SS*.  trans-95.6164.2177.2-52.5-50.7175.1-139.70111.1Y502 G506 D507Y502-K504 PolarHBondContact O-NZ 3.06Å; K504-G506 PolarHBondContact O-N 3.35Å; K504-D507 VanDerWaalsContact N-CG 3.3Å; K504-D507 PolarHBondContact N-OD2 2.94Å; K504-D507 PolarHBondContact O-N 3.34Å
505A82.4Confident87.4Confident116 Ų11686.7 Ų86.796%0.95947%0.465SS*.THydrogen-bonded Turntrans-65.4105.2172.500000109.4
506G81.9Confident87.4Confident74 Ų7483.6 Ų83.676%0.76345%0.446SS*.THydrogen-bonded Turntrans130-26.9-172.700000113.1K504K504-G506 PolarHBondContact O-N 3.35Å
507D86.1Confident87.4Confident89 Ų8980.5 Ų80.548%0.47643%0.425SS..  trans-70.6138.4178.9-58.92.3000110.5M503 K504M503-D507 VanDerWaalsContact CA-OD2 3.23Å; M503-D507 WeakPolarHBondContact CA-OD2 3.33Å; M503-D507 HydrophobicContact CB-CB 3.93Å; M503-D507 HydrophobicContact CE-CB 3.47Å; M503-D507 VanDerWaalsContact CE-CB 3.47Å; M503-D507 WeakPolarHBondContact CE-O 3.41Å; M503-D507 HydrophobicContact CG-CB 4.01Å; K504-D507 VanDerWaalsContact N-CG 3.3Å; K504-D507 PolarHBondContact N-OD2 2.94Å; K504-D507 PolarHBondContact O-N 3.34Å
508S88.2Confident87.4Confident59 Ų5976.7 Ų76.741%0.41341%0.407SS..  trans-100.8142-174.6-72.60000114.1M503M503-S508 WeakPolarHBondContact CE-O 3.35Å
509M90.2Very high87.5Confident55 Ų5580 Ų8027%0.27141%0.414SS..EExtended strand (participates in β ladder)trans-141.9144.6-179.8167.5-173.276.400109.6L479 F491 L500 M503 V516L479-M509 HydrophobicContact CD1-CE 4.29Å; F491-M509 HydrophobicContact CE1-CE 4.03Å; F491-M509 HydrophobicContact CE1-SD 3.35Å; F491-M509 WeakPolarHBondContact CE1-SD 3.31Å; F491-M509 HydrophobicContact CZ-CE 3.79Å; F491-M509 HydrophobicContact CZ-SD 3.33Å; F491-M509 WeakPolarHBondContact CZ-SD 3.4Å; L500-M509 HydrophobicContact CD1-CG 4.27Å; L500-M509 HydrophobicContact CD1-SD 3.97Å; M503-M509 HydrophobicContact CE-CB 3.72Å; M503-M509 HydrophobicContact SD-CB 4.12Å; M509-V516 HydrophobicContact CG-CG1 3.68Å; M509-V516 HydrophobicContact SD-CG1 3.37Å; M509-V516 WeakPolarHBondContact SD-CG1 3.42Å
510W91.8Very high87.5Confident99 Ų9982.6 Ų82.638%0.37542%0.423SS..EExtended strand (participates in β ladder)trans-119.3143.9-171.3-58.186.5000111.8H517 F522W510-H517 PolarHBondContact N-O 2.82Å; W510-H517 PolarHBondContact O-N 2.67Å; W510-F522 HydrophobicContact CB-CB 3.69Å; W510-F522 HydrophobicContact CB-CD1 4.04Å; W510-F522 HydrophobicContact CB-CD2 3.39Å; W510-F522 HydrophobicContact CB-CE2 3.97Å; W510-F522 HydrophobicContact CB-CG 3.42Å; W510-F522 VanDerWaalsContact CB-CG 3.42Å; W510-F522 HydrophobicContact CB-CZ 4.5Å; W510-F522 AromaticContact CD1-CD1 3.68Å; W510-F522 AromaticContact CD1-CG 3.65Å; W510-F522 HydrophobicContact CD2-CB 4.44Å; W510-F522 AromaticContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD2 4.18Å; W510-F522 AromaticContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE2 4.26Å; W510-F522 AromaticContact CD2-CG 3.73Å; W510-F522 HydrophobicContact CD2-CG 3.73Å; W510-F522 AromaticContact CD2-CZ 3.9Å; W510-F522 HydrophobicContact CD2-CZ 3.9Å; W510-F522 AromaticContact CE2-CD1 3.57Å; W510-F522 AromaticContact CE2-CE1 3.8Å; W510-F522 AromaticContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD2 4.46Å; W510-F522 AromaticContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE2 4.08Å; W510-F522 HydrophobicContact CE3-CG 4.34Å; W510-F522 AromaticContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CG-CB 3.6Å; W510-F522 AromaticContact CG-CD1 3.4Å; W510-F522 HydrophobicContact CG-CD1 3.4Å; W510-F522 VanDerWaalsContact CG-CD1 3.4Å; W510-F522 AromaticContact CG-CD2 3.74Å; W510-F522 HydrophobicContact CG-CD2 3.74Å; W510-F522 AromaticContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE2 4.25Å; W510-F522 AromaticContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CZ 4.33Å; W510-F522 HydrophobicContact CH2-CE1 4.1Å; W510-F522 HydrophobicContact CZ2-CD1 4.24Å; W510-F522 HydrophobicContact CZ2-CE1 4.14Å; W510-F522 HydrophobicContact CZ3-CD1 4.45Å; W510-F522 AromaticContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CZ 4.02Å; W510-F522 AromaticContact NE1-CD1 3.77Å
511I90.5Very high87.6Confident86 Ų8682.8 Ų82.844%0.44143%0.425SS..EExtended strand (participates in β ladder)trans-117.5126.1-179.5-67.3162.2000108.2L479 M482 K515L479-I511 HydrophobicContact CD2-CD1 4.36Å; M482-I511 HydrophobicContact CE-CD1 3.48Å; M482-I511 VanDerWaalsContact CE-CD1 3.48Å; M482-I511 HydrophobicContact CE-CG1 3.72Å; M482-I511 HydrophobicContact CE-CG2 4.21Å; M482-I511 HydrophobicContact CG-CG2 4.43Å; M482-I511 HydrophobicContact SD-CB 4.38Å; M482-I511 HydrophobicContact SD-CD1 4.22Å; M482-I511 HydrophobicContact SD-CG1 4.06Å; M482-I511 HydrophobicContact SD-CG2 3.44Å; M482-I511 WeakPolarHBondContact SD-CG2 3.4Å; I511-K515 WeakPolarHBondContact CA-O 3.46Å
512Y87.9Confident88Confident67 Ų6783.4 Ų83.426%0.26342%0.423SS..EExtended strand (participates in β ladder)trans-146.1132.3176.9-178.7-103.5000110.3R514 K515 W529Y512-R514 PolarHBondContact O-N 3.1Å; Y512-R514 VanDerWaalsContact O-N 3.12Å; Y512-K515 PolarHBondContact N-O 2.77Å; Y512-K515 WeakPolarHBondContact O-CA 3.34Å; Y512-K515 WeakPolarHBondContact O-CB 3.44Å; Y512-K515 PolarHBondContact O-N 2.99Å; Y512-W529 AromaticContact CD1-CD2 3.5Å; Y512-W529 HydrophobicContact CD1-CD2 3.5Å; Y512-W529 AromaticContact CD1-CE2 3.59Å; Y512-W529 AromaticContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CE3 3.4Å; Y512-W529 VanDerWaalsContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CG 4.28Å; Y512-W529 AromaticContact CD1-CH2 3.51Å; Y512-W529 HydrophobicContact CD1-CH2 3.51Å; Y512-W529 AromaticContact CD1-CZ2 3.61Å; Y512-W529 HydrophobicContact CD1-CZ2 3.61Å; Y512-W529 AromaticContact CD1-CZ3 3.42Å; Y512-W529 HydrophobicContact CD1-CZ3 3.42Å; Y512-W529 VanDerWaalsContact CD1-CZ3 3.42Å; Y512-W529 AromaticContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CZ3 4.18Å; Y512-W529 HydrophobicContact CE1-CB 4.18Å; Y512-W529 AromaticContact CE1-CD1 3.95Å; Y512-W529 AromaticContact CE1-CD2 3.28Å; Y512-W529 HydrophobicContact CE1-CD2 3.28Å; Y512-W529 AromaticContact CE1-CE2 3.54Å; Y512-W529 AromaticContact CE1-CE3 3.6Å; Y512-W529 HydrophobicContact CE1-CE3 3.6Å; Y512-W529 AromaticContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CH2 4.3Å; Y512-W529 HydrophobicContact CE1-CZ2 4.05Å; Y512-W529 HydrophobicContact CE1-CZ3 4.11Å; Y512-W529 AromaticContact CE1-NE1 3.93Å; Y512-W529 HydrophobicContact CE2-CB 4.48Å; Y512-W529 HydrophobicContact CE2-CD2 4.43Å; Y512-W529 HydrophobicContact CE2-CE3 4.14Å; Y512-W529 HydrophobicContact CG-CD2 4.16Å; Y512-W529 AromaticContact CG-CE3 3.58Å; Y512-W529 HydrophobicContact CG-CE3 3.58Å; Y512-W529 AromaticContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CZ2 4.44Å; Y512-W529 AromaticContact CG-CZ3 3.45Å; Y512-W529 HydrophobicContact CG-CZ3 3.45Å; Y512-W529 VanDerWaalsContact CG-CZ3 3.45Å; Y512-W529 AromaticContact CZ-CD2 3.81Å; Y512-W529 AromaticContact CZ-CE3 3.98Å; Y512-W529 AromaticContact CZ-CG 3.78Å
513K85.9Confident88.2Confident158 Ų15880.2 Ų80.269%0.68741%0.414SS*.THydrogen-bonded Turntrans47.140.7-177.5-69.1178.2175.5155.70113.9K515K513-K515 PolarHBondContact O-N 2.76Å
514R85Confident88.6Confident208 Ų20882.1 Ų82.179%0.78543%0.425SS*.THydrogen-bonded Turntrans60.913.6-174.7-55.8-179.7179134.3-0.7115.7Y512Y512-R514 PolarHBondContact O-N 3.1Å; Y512-R514 VanDerWaalsContact O-N 3.12Å
515K88.5Confident88.8Confident100 Ų10076.4 Ų76.444%0.43540%0.402SS..EExtended strand (participates in β ladder)trans-102154.3170.3-75.2161.5163.5-80.30110.1D494 I511 Y512 K513 H517D494-K515 HydrophobicContact CB-CB 4.16Å; D494-K515 HydrophobicContact CB-CG 4.43Å; D494-K515 IonicContact OD1-NZ 2.64Å; D494-K515 PolarHBondContact OD1-NZ 3.04Å; D494-K515 WeakPolarHBondContact OD2-CD 3.2Å; D494-K515 IonicContact OD2-NZ 2.68Å; D494-K515 PolarHBondContact OD2-NZ 3.01Å; I511-K515 WeakPolarHBondContact CA-O 3.46Å; Y512-K515 PolarHBondContact N-O 2.77Å; Y512-K515 WeakPolarHBondContact O-CA 3.34Å; Y512-K515 WeakPolarHBondContact O-CB 3.44Å; Y512-K515 PolarHBondContact O-N 2.99Å; K513-K515 PolarHBondContact O-N 2.76Å; K515-H517 WeakPolarHBondContact CB-NE2 3.25Å
516V91Very high88.9Confident9 Ų974.6 Ų74.66%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-111.4131.9-174.9-178.60000109.6M482 I484 F491 C493 D494 L500 M509M482-V516 HydrophobicContact CE-CG2 3.94Å; M482-V516 HydrophobicContact SD-CG2 4.29Å; I484-V516 HydrophobicContact CD1-CG2 4.06Å; F491-V516 HydrophobicContact CE2-CG1 4.16Å; F491-V516 HydrophobicContact CE2-CG2 4.11Å; F491-V516 HydrophobicContact CZ-CG1 3.83Å; F491-V516 HydrophobicContact CZ-CG2 4.38Å; C493-V516 WeakPolarHBondContact CA-O 3.48Å; D494-V516 WeakPolarHBondContact CB-O 2.97Å; D494-V516 PolarHBondContact N-O 2.88Å; L500-V516 HydrophobicContact CD1-CG1 3.51Å; M509-V516 HydrophobicContact CG-CG1 3.68Å; M509-V516 HydrophobicContact SD-CG1 3.37Å; M509-V516 WeakPolarHBondContact SD-CG1 3.42Å
517H92.3Very high88.8Confident4 Ų476.7 Ų76.72%0.01936%0.36CS..EExtended strand (participates in β ladder)trans-129134.7-174.6-56-81000110.1V495 W510 K515 F522 W529V495-H517 WeakPolarHBondContact CG2-ND1 3.47Å; W510-H517 PolarHBondContact N-O 2.82Å; W510-H517 PolarHBondContact O-N 2.67Å; K515-H517 WeakPolarHBondContact CB-NE2 3.25Å; H517-F522 HydrophobicContact CB-CB 4.09Å; H517-W529 AromaticContact CD2-CH2 3.76Å; H517-W529 AromaticContact CE1-CH2 3.74Å; H517-W529 AromaticContact NE2-CH2 3.55Å
518C92.6Very high88.5Confident26 Ų2679.5 Ų79.518%0.17637%0.368CS..EExtended strand (participates in β ladder)trans-65.3156163.671.50000109.7C493 L500 N520 C521 F522C493-C518 HydrophobicContact CB-CB 4.25Å; C493-C518 PolarHBondContact SG-N 3.31Å; L500-C518 HydrophobicContact CD2-CB 3.86Å; C518-N520 PolarHBondContact O-N 3.13Å; C518-C521 PolarHBondContact O-N 3.05Å; C518-C521 VanDerWaalsContact SG-CB 3.56Å; C518-C521 PolarHBondContact SG-N 3.17Å; C518-C521 VanDerWaalsContact SG-N 3.43Å; C518-C521 PolarHBondContact SG-SG 3.36Å; C518-F522 PolarHBondContact O-N 3.01Å
519E91Very high88.1Confident100 Ų10080.1 Ų80.147%0.46736%0.361SS..Hα-helixtrans-42.1-60.3175.5-175.3165-134.100113.2C521 F522 E523E519-C521 VanDerWaalsContact C-N 3.26Å; E519-C521 PolarHBondContact O-N 2.99Å; E519-F522 WeakPolarHBondContact O-CB 3.46Å; E519-F522 PolarHBondContact O-N 3.25Å; E519-E523 WeakPolarHBondContact O-CG 3.28Å; E519-E523 PolarHBondContact O-N 3.18Å
520N90.8Very high87.2Confident110 Ų11088 Ų8859%0.58839%0.388SS*.Hα-helixtrans-62.9-28.2-177.2-148.8142.6000113.9C518 N524C518-N520 PolarHBondContact O-N 3.13Å; N520-N524 PolarHBondContact O-ND2 3.5Å; N520-N524 PolarHBondContact O-OD1 3.27Å
521C92.3Very high85.5Confident16 Ų1695.3 Ų95.311%0.10842%0.416CS..Hα-helixtrans-77.1-40.9173.5-75.80000111.5V495 C518 E519 E523 N524 T525V495-C521 HydrophobicContact CB-CB 4.02Å; V495-C521 HydrophobicContact CG1-CB 4.22Å; V495-C521 HydrophobicContact CG2-CB 4.5Å; C518-C521 PolarHBondContact O-N 3.05Å; C518-C521 VanDerWaalsContact SG-CB 3.56Å; C518-C521 PolarHBondContact SG-N 3.17Å; C518-C521 VanDerWaalsContact SG-N 3.43Å; C518-C521 PolarHBondContact SG-SG 3.36Å; E519-C521 VanDerWaalsContact C-N 3.26Å; E519-C521 PolarHBondContact O-N 2.99Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 3.43Å; C521-N524 PolarHBondContact O-N 3.39Å; C521-T525 WeakPolarHBondContact O-CG2 3.39Å; C521-T525 PolarHBondContact O-N 3.45Å; C521-T525 PolarHBondContact O-OG1 3.47Å
522F92.2Very high85.3Confident30 Ų3095.8 Ų95.813%0.13241%0.414CS..Hα-helixtrans-61.3-41.6177.3175.3-101.7000112W510 H517 C518 E519 N524 T525 R526 W529W510-F522 HydrophobicContact CB-CB 3.69Å; W510-F522 HydrophobicContact CB-CD1 4.04Å; W510-F522 HydrophobicContact CB-CD2 3.39Å; W510-F522 HydrophobicContact CB-CE2 3.97Å; W510-F522 HydrophobicContact CB-CG 3.42Å; W510-F522 VanDerWaalsContact CB-CG 3.42Å; W510-F522 HydrophobicContact CB-CZ 4.5Å; W510-F522 AromaticContact CD1-CD1 3.68Å; W510-F522 AromaticContact CD1-CG 3.65Å; W510-F522 HydrophobicContact CD2-CB 4.44Å; W510-F522 AromaticContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD1 3.31Å; W510-F522 HydrophobicContact CD2-CD2 4.18Å; W510-F522 AromaticContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE1 3.4Å; W510-F522 HydrophobicContact CD2-CE2 4.26Å; W510-F522 AromaticContact CD2-CG 3.73Å; W510-F522 HydrophobicContact CD2-CG 3.73Å; W510-F522 AromaticContact CD2-CZ 3.9Å; W510-F522 HydrophobicContact CD2-CZ 3.9Å; W510-F522 AromaticContact CE2-CD1 3.57Å; W510-F522 AromaticContact CE2-CE1 3.8Å; W510-F522 AromaticContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD1 3.81Å; W510-F522 HydrophobicContact CE3-CD2 4.46Å; W510-F522 AromaticContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE1 3.35Å; W510-F522 HydrophobicContact CE3-CE2 4.08Å; W510-F522 HydrophobicContact CE3-CG 4.34Å; W510-F522 AromaticContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CE3-CZ 3.5Å; W510-F522 HydrophobicContact CG-CB 3.6Å; W510-F522 AromaticContact CG-CD1 3.4Å; W510-F522 HydrophobicContact CG-CD1 3.4Å; W510-F522 VanDerWaalsContact CG-CD1 3.4Å; W510-F522 AromaticContact CG-CD2 3.74Å; W510-F522 HydrophobicContact CG-CD2 3.74Å; W510-F522 AromaticContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE1 3.94Å; W510-F522 HydrophobicContact CG-CE2 4.25Å; W510-F522 AromaticContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CG 3.28Å; W510-F522 HydrophobicContact CG-CZ 4.33Å; W510-F522 HydrophobicContact CH2-CE1 4.1Å; W510-F522 HydrophobicContact CZ2-CD1 4.24Å; W510-F522 HydrophobicContact CZ2-CE1 4.14Å; W510-F522 HydrophobicContact CZ3-CD1 4.45Å; W510-F522 AromaticContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CE1 3.72Å; W510-F522 HydrophobicContact CZ3-CZ 4.02Å; W510-F522 AromaticContact NE1-CD1 3.77Å; H517-F522 HydrophobicContact CB-CB 4.09Å; C518-F522 PolarHBondContact O-N 3.01Å; E519-F522 WeakPolarHBondContact O-CB 3.46Å; E519-F522 PolarHBondContact O-N 3.25Å; F522-N524 VanDerWaalsContact C-N 3.33Å; F522-N524 PolarHBondContact O-N 2.97Å; F522-T525 PolarHBondContact O-N 3.49Å; F522-T525 PolarHBondContact O-OG1 3.3Å; F522-R526 HydrophobicContact CE1-CB 4.29Å; F522-R526 HydrophobicContact CE2-CB 4.29Å; F522-R526 HydrophobicContact CZ-CB 4.11Å; F522-R526 VanDerWaalsContact O-CB 3.25Å; F522-R526 WeakPolarHBondContact O-CB 3.17Å; F522-R526 WeakPolarHBondContact O-CG 3.32Å; F522-R526 PolarHBondContact O-N 3.26Å; F522-W529 AromaticContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CE2-CZ3 4.02Å
523E89.1Confident85.2Confident77 Ų7797.3 Ų97.336%0.3642%0.422SS..Hα-helixtrans-61.9-42.6175.6-58.1-144.7112.900111.7E519 C521 T525 R526E519-E523 WeakPolarHBondContact O-CG 3.28Å; E519-E523 PolarHBondContact O-N 3.18Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 3.43Å; E523-T525 VanDerWaalsContact C-N 3.3Å; E523-T525 PolarHBondContact O-N 3.44Å; E523-R526 WeakPolarHBondContact O-CG 3.47Å; E523-R526 IonicContact OE1-CZ 3.07Å; E523-R526 IonicContact OE1-NH1 2.67Å; E523-R526 PolarHBondContact OE1-NH1 3.2Å; E523-R526 IonicContact OE1-NH2 2.72Å; E523-R526 PolarHBondContact OE1-NH2 3.45Å
524N89.1Confident85.1Confident101 Ų10193.9 Ų93.954%0.5441%0.408SS..Hα-helixtrans-72.4-17.4179.2-67.1-0.9000114.1N520 C521 F522N520-N524 PolarHBondContact O-ND2 3.5Å; N520-N524 PolarHBondContact O-OD1 3.27Å; C521-N524 PolarHBondContact O-N 3.39Å; F522-N524 VanDerWaalsContact C-N 3.33Å; F522-N524 PolarHBondContact O-N 2.97Å
525T85.2Confident85.1Confident20 Ų2087.2 Ų87.212%0.12339%0.385CS..Hα-helixtrans-108.1-27.2179.259.80000114.3V495 C521 F522 E523 E527 K528 W529V495-T525 HydrophobicContact CG2-CG2 4.37Å; C521-T525 WeakPolarHBondContact O-CG2 3.39Å; C521-T525 PolarHBondContact O-N 3.45Å; C521-T525 PolarHBondContact O-OG1 3.47Å; F522-T525 PolarHBondContact O-N 3.49Å; F522-T525 PolarHBondContact O-OG1 3.3Å; E523-T525 VanDerWaalsContact C-N 3.3Å; E523-T525 PolarHBondContact O-N 3.44Å; T525-E527 PolarHBondContact O-N 2.72Å; T525-K528 CarbonylContact O-C 3.53Å; T525-K528 WeakPolarHBondContact O-CA 3.45Å; T525-K528 WeakPolarHBondContact O-CB 3.21Å; T525-K528 PolarHBondContact O-N 3.13Å; T525-W529 VanDerWaalsContact CB-CZ2 3.44Å; T525-W529 HydrophobicContact CG2-CZ2 4.19Å; T525-W529 VanDerWaalsContact O-CG 3.27Å; T525-W529 PolarHBondContact O-N 2.99Å; T525-W529 VanDerWaalsContact O-N 3.09Å; T525-W529 WeakPolarHBondContact OG1-CH2 3.23Å; T525-W529 WeakPolarHBondContact OG1-CZ2 3.4Å; T525-W529 WeakPolarHBondContact OG1-CZ3 3.47Å
526R85Confident84.9Confident78 Ų7886.4 Ų86.429%0.29438%0.382SS..Hα-helixtrans-58.6-34.6179.872.7-172.5178.4-156.3-9.9112.5F522 E523 K528 W529 R530F522-R526 HydrophobicContact CE1-CB 4.29Å; F522-R526 HydrophobicContact CE2-CB 4.29Å; F522-R526 HydrophobicContact CZ-CB 4.11Å; F522-R526 VanDerWaalsContact O-CB 3.25Å; F522-R526 WeakPolarHBondContact O-CB 3.17Å; F522-R526 WeakPolarHBondContact O-CG 3.32Å; F522-R526 PolarHBondContact O-N 3.26Å; E523-R526 WeakPolarHBondContact O-CG 3.47Å; E523-R526 IonicContact OE1-CZ 3.07Å; E523-R526 IonicContact OE1-NH1 2.67Å; E523-R526 PolarHBondContact OE1-NH1 3.2Å; E523-R526 IonicContact OE1-NH2 2.72Å; E523-R526 PolarHBondContact OE1-NH2 3.45Å; R526-K528 VanDerWaalsContact C-N 3.29Å; R526-K528 PolarHBondContact O-N 3.38Å; R526-W529 CarbonylContact O-C 3.59Å; R526-W529 PolarHBondContact O-N 3.41Å; R526-R530 PolarHBondContact O-N 3.47Å; R526-R530 VanDerWaalsContact O-N 3.13Å
527E80.7Confident84.5Confident119 Ų11991.6 Ų91.656%0.55640%0.404SS*.THydrogen-bonded Turntrans-69-28.2175.6-61.1-172.8173.800112.8T525 W529T525-E527 PolarHBondContact O-N 2.72Å; E527-W529 VanDerWaalsContact C-N 3.32Å
528K80.3Confident83.9Confident147 Ų14797.9 Ų97.964%0.63943%0.432SS*.THydrogen-bonded Turntrans-83.5-10.9174.2-54.5-178.9-175.1179.70112.4T525 R526T525-K528 CarbonylContact O-C 3.53Å; T525-K528 WeakPolarHBondContact O-CA 3.45Å; T525-K528 WeakPolarHBondContact O-CB 3.21Å; T525-K528 PolarHBondContact O-N 3.13Å; R526-K528 VanDerWaalsContact C-N 3.29Å; R526-K528 PolarHBondContact O-N 3.38Å
529W78.6Confident83.3Confident72 Ų72103.4 Ų103.427%0.27345%0.451SS..SBendtrans-106.1-1.3177.5-58.1-25.8000113.8Y512 H517 F522 T525 R526 E527Y512-W529 AromaticContact CD1-CD2 3.5Å; Y512-W529 HydrophobicContact CD1-CD2 3.5Å; Y512-W529 AromaticContact CD1-CE2 3.59Å; Y512-W529 AromaticContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CE3 3.4Å; Y512-W529 VanDerWaalsContact CD1-CE3 3.4Å; Y512-W529 HydrophobicContact CD1-CG 4.28Å; Y512-W529 AromaticContact CD1-CH2 3.51Å; Y512-W529 HydrophobicContact CD1-CH2 3.51Å; Y512-W529 AromaticContact CD1-CZ2 3.61Å; Y512-W529 HydrophobicContact CD1-CZ2 3.61Å; Y512-W529 AromaticContact CD1-CZ3 3.42Å; Y512-W529 HydrophobicContact CD1-CZ3 3.42Å; Y512-W529 VanDerWaalsContact CD1-CZ3 3.42Å; Y512-W529 AromaticContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CE3 3.95Å; Y512-W529 HydrophobicContact CD2-CZ3 4.18Å; Y512-W529 HydrophobicContact CE1-CB 4.18Å; Y512-W529 AromaticContact CE1-CD1 3.95Å; Y512-W529 AromaticContact CE1-CD2 3.28Å; Y512-W529 HydrophobicContact CE1-CD2 3.28Å; Y512-W529 AromaticContact CE1-CE2 3.54Å; Y512-W529 AromaticContact CE1-CE3 3.6Å; Y512-W529 HydrophobicContact CE1-CE3 3.6Å; Y512-W529 AromaticContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CG 3.57Å; Y512-W529 HydrophobicContact CE1-CH2 4.3Å; Y512-W529 HydrophobicContact CE1-CZ2 4.05Å; Y512-W529 HydrophobicContact CE1-CZ3 4.11Å; Y512-W529 AromaticContact CE1-NE1 3.93Å; Y512-W529 HydrophobicContact CE2-CB 4.48Å; Y512-W529 HydrophobicContact CE2-CD2 4.43Å; Y512-W529 HydrophobicContact CE2-CE3 4.14Å; Y512-W529 HydrophobicContact CG-CD2 4.16Å; Y512-W529 AromaticContact CG-CE3 3.58Å; Y512-W529 HydrophobicContact CG-CE3 3.58Å; Y512-W529 AromaticContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CH2 3.91Å; Y512-W529 HydrophobicContact CG-CZ2 4.44Å; Y512-W529 AromaticContact CG-CZ3 3.45Å; Y512-W529 HydrophobicContact CG-CZ3 3.45Å; Y512-W529 VanDerWaalsContact CG-CZ3 3.45Å; Y512-W529 AromaticContact CZ-CD2 3.81Å; Y512-W529 AromaticContact CZ-CE3 3.98Å; Y512-W529 AromaticContact CZ-CG 3.78Å; H517-W529 AromaticContact CD2-CH2 3.76Å; H517-W529 AromaticContact CE1-CH2 3.74Å; H517-W529 AromaticContact NE2-CH2 3.55Å; F522-W529 AromaticContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CD2-CZ3 3.8Å; F522-W529 HydrophobicContact CE2-CZ3 4.02Å; T525-W529 VanDerWaalsContact CB-CZ2 3.44Å; T525-W529 HydrophobicContact CG2-CZ2 4.19Å; T525-W529 VanDerWaalsContact O-CG 3.27Å; T525-W529 PolarHBondContact O-N 2.99Å; T525-W529 VanDerWaalsContact O-N 3.09Å; T525-W529 WeakPolarHBondContact OG1-CH2 3.23Å; T525-W529 WeakPolarHBondContact OG1-CZ2 3.4Å; T525-W529 WeakPolarHBondContact OG1-CZ3 3.47Å; R526-W529 CarbonylContact O-C 3.59Å; R526-W529 PolarHBondContact O-N 3.41Å; E527-W529 VanDerWaalsContact C-N 3.32Å
530R72.1Confident82.6Confident222 Ų222103.7 Ų103.784%0.83845%0.45SS*.  trans-97.46169.5-76.9-176.7174-176.8-1.2112.9R526R526-R530 PolarHBondContact O-N 3.47Å; R526-R530 VanDerWaalsContact O-N 3.13Å
531R56.3Low81.9Confident252 Ų252103.1 Ų103.195%0.95144%0.438SS*.  trans-111.90166.1-57.4-172.3-171.999.9-0.3107.9

Retrieved 531 of 531 residues in 156.2 ms (Link to these results)