A0A096NC88_PAPAN Loading...

SH3 and cysteine-rich domain-containing protein

AlphaFold DB (A0A2K5NW95), UniProt , Accession A0A096NC88, Species PAPAN (Papio anubis, Olive baboon), Gene STAC, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low42.6Very low249 Ų249145.3 Ų145.3100%1.22779%0.792SS**  0173.20-88.4172.7161.500109
2I34.8Very low42.3Very low167 Ų167142.5 Ų142.586%0.85678%0.783SS**  trans-87.3155.1-169.3-78170.6000111.2
3P69.4Low41.8Very low108 Ų108143.5 Ų143.570%0.70179%0.787SS**  trans-85-157.6-176.139-40.7000112.8
4P57.2Low41.2Very low114 Ų114137.8 Ų137.874%0.7478%0.777SS**  -132.4-15469.435.5-14.2000111.3
5S37.2Very low40.7Very low105 Ų105139.9 Ų139.973%0.73479%0.785SS**  cis-163.6164.88.69.50000110.9
6C36.5Very low41.4Very low118 Ų118138.1 Ų138.180%0.79778%0.781SS**  trans-103.4166.5163.1-52.90000110.9
7P51.9Low41Very low118 Ų118141.9 Ų141.977%0.76679%0.787SS**  -116.9164.187.7-4.126.1000113
8R39.1Very low40.5Very low210 Ų210144.3 Ų144.379%0.79279%0.791SS**  64147.567.4-52.2-153.3-175.5-176-2114.3
9E34.9Very low40.1Very low126 Ų126142.2 Ų142.259%0.58980%0.795SS**  cis-156.6164.618.4-133.5131-164.100111.2
10D33.7Very low39.7Very low146 Ų146140.7 Ų140.778%0.78180%0.801SS**  trans59.2161.9159.8-44.8-36.3000120.8
11D36.1Very low39.2Very low137 Ų137137.9 Ų137.973%0.73380%0.803SS**  cis-151.2163.40.8-159.8-161.4000113.3
12V39.1Very low38.9Very low112 Ų112130.8 Ų130.868%0.67978%0.784SS**  trans32.8151.8149.890.20000121.6
13D35.1Very low38.7Very low155 Ų155131.9 Ų131.983%0.82979%0.786SS**  cis-161173.933.1-153.9-27.7000112.3
14G33.4Very low37Very low64 Ų64135.4 Ų135.466%0.6679%0.793SS**  trans11691.9155.600000117.3
15L34.5Very low36.2Very low170 Ų170134.7 Ų134.789%0.8979%0.788SS**  trans-115.7-165177.8-148.676.8000112.4
16P52.2Low36Very low110 Ų110135.8 Ų135.871%0.71479%0.792SS**  -109.2-176.9-112.641-27.2000114.9
17K33.3Very low35.9Very low203 Ų203135.6 Ų135.688%0.88379%0.792SS**  trans-153.3128.5152-142.8171.9-174.8176.70114.9
18E32Very low35.3Very low186 Ų186135.6 Ų135.687%0.86979%0.792SS**  trans-91.2154.4161-73.3-175.877.200111.3
19A33.1Very low34.8Very low104 Ų104130.2 Ų130.286%0.8679%0.793SS**  178.3154.3127.800000110.4
20A32.8Very low35Very low112 Ų112129.5 Ų129.593%0.92680%0.802SS**  trans-100.8159.9-17500000114.3
21G28.7Very low35.4Very low81 Ų81128.6 Ų128.684%0.83580%0.802SS**  trans-164.2141.6169.600000109.6
22A32.3Very low35.8Very low100 Ų100126.8 Ų126.883%0.82680%0.8SS**  trans-107.3159.6-166.500000114
23E30.1Very low36Very low191 Ų191124.6 Ų124.689%0.89379%0.789SS**  trans-177.3168.6137.3-94.3-85.351.100110.1
24Q34.1Very low36.2Very low182 Ų182124.6 Ų124.685%0.8579%0.785SS**  trans-104.3176.4-162.7-98.6-167.7-11800116.4
25P39.3Very low36.6Very low98 Ų98127.3 Ų127.364%0.63678%0.78SS**  trans-109171.7-149.342.3-38.8000116.8
26P34.4Very low37.5Very low128 Ų128121 Ų12183%0.83175%0.75SS**PPolyproline II helixtrans-85.6146.1159.634.7-32.4000113.1
27S32.8Very low37.1Very low114 Ų114121.7 Ų121.780%0.79774%0.742SS**PPolyproline II helixtrans-86.8159.6-175.2-73.90000114.8
28P39.5Very low37.5Very low118 Ų118117 Ų11777%0.76673%0.725SS**PPolyproline II helixtrans-83.9144.7-17232.9-36.5000114.9
29A30.2Very low38.6Very low98 Ų98110.3 Ų110.381%0.8169%0.694SS**PPolyproline II helixtrans-76.2130.2166.300000111
30S39.1Very low39.6Very low111 Ų111111 Ų11178%0.77668%0.678SS**  trans-112.276-159.845.20000114.3
31T41.3Very low40.5Very low127 Ų127110.5 Ų110.578%0.77966%0.659SS**  trans-113.822.3-174.456.80000116
32S45.3Very low41.8Very low98 Ų98113.4 Ų113.469%0.68565%0.649SS**SBendtrans-103.1-34.117759.40000114.9Q34 S36S32-Q34 PolarHBondContact O-N 3.39Å; S32-S36 PolarHBondContact O-N 2.81Å
33S42.1Very low43Very low66 Ų66109.7 Ų109.746%0.46261%0.614SS.*Hα-helixtrans-67.5-38.8-172-168.10000113.5S36S33-S36 PolarHBondContact O-OG 3.27Å
34Q38.7Very low44Very low156 Ų156103 Ų10373%0.72959%0.587SS**Hα-helixtrans-73.2-37-177.9-71.5-165-12.600113.1S32 S36 K37 L38S32-Q34 PolarHBondContact O-N 3.39Å; Q34-S36 PolarHBondContact O-N 3.4Å; Q34-K37 PolarHBondContact O-N 3.01Å; Q34-K37 VanDerWaalsContact O-N 3.16Å; Q34-L38 PolarHBondContact O-N 3.28Å; Q34-L38 VanDerWaalsContact O-N 3.08Å
35E43.4Very low44.8Very low121 Ų12199.4 Ų99.457%0.56557%0.574SS**Hα-helixtrans-62.4-45.8178.5-158.5179.6103.400110.6K37 L38 Q39E35-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact O-N 3.1Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CA 3.39Å; E35-L38 PolarHBondContact O-N 3Å; E35-Q39 PolarHBondContact O-N 2.87Å; E35-Q39 PolarHBondContact O-OE1 2.9Å; E35-Q39 VanDerWaalsContact O-OE1 3.1Å; E35-Q39 PolarHBondContact OE1-NE2 2.91Å
36S53.3Low45.2Very low36 Ų3697.7 Ų97.725%0.25256%0.564SS.*Hα-helixtrans-56.7-31.8176.384.50000113.4S32 S33 Q34 Q39 K40S32-S36 PolarHBondContact O-N 2.81Å; S33-S36 PolarHBondContact O-OG 3.27Å; Q34-S36 PolarHBondContact O-N 3.4Å; S36-Q39 VanDerWaalsContact CA-OE1 3.31Å; S36-K40 WeakPolarHBondContact O-CB 3.24Å; S36-K40 WeakPolarHBondContact O-CD 3.49Å; S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 2.87Å
37K42.5Very low45.9Very low126 Ų12698.9 Ų98.955%0.54856%0.556SS.*Hα-helixtrans-75.8-39.2177.3-70.1173.5-180176.10111.3Q34 E35 K40 L41Q34-K37 PolarHBondContact O-N 3.01Å; Q34-K37 VanDerWaalsContact O-N 3.16Å; E35-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact O-N 3.1Å; K37-K40 PolarHBondContact O-N 2.84Å; K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 2.83Å
38L43.3Very low46.4Very low103 Ų103101.7 Ų101.754%0.53955%0.554SS.*Hα-helixtrans-68.6-37.3173.9-86.2159000112.6Q34 E35 L41 K42Q34-L38 PolarHBondContact O-N 3.28Å; Q34-L38 VanDerWaalsContact O-N 3.08Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CA 3.39Å; E35-L38 PolarHBondContact O-N 3Å; L38-L41 PolarHBondContact O-N 2.85Å; L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.42Å
39Q54.3Low46.6Very low46 Ų46101.3 Ų101.322%0.21555%0.55CS..Hα-helixtrans-62.5-49.6170.5-79.9143.8-18.400111.1E35 S36 L41 K42 R43E35-Q39 PolarHBondContact O-N 2.87Å; E35-Q39 PolarHBondContact O-OE1 2.9Å; E35-Q39 VanDerWaalsContact O-OE1 3.1Å; E35-Q39 PolarHBondContact OE1-NE2 2.91Å; S36-Q39 VanDerWaalsContact CA-OE1 3.31Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.9Å; Q39-K42 PolarHBondContact O-N 3.18Å; Q39-K42 VanDerWaalsContact O-N 3.09Å; Q39-R43 WeakPolarHBondContact O-CB 3.21Å; Q39-R43 VanDerWaalsContact O-CG 3.29Å; Q39-R43 WeakPolarHBondContact O-CG 3.42Å; Q39-R43 PolarHBondContact O-N 3.12Å
40K54.3Low47.2Very low120 Ų120105.6 Ų105.652%0.52255%0.55SS.*Hα-helixtrans-57.5-36.3175.7-72.8161.1-167.3165.50113.1S36 K37 S44S36-K40 WeakPolarHBondContact O-CB 3.24Å; S36-K40 WeakPolarHBondContact O-CD 3.49Å; S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 2.87Å; K37-K40 PolarHBondContact O-N 2.84Å; K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 2.82Å
41L51.1Low47.3Very low101 Ų101105.3 Ų105.353%0.52955%0.548SS..Hα-helixtrans-70.3-42.7173.1-75.6164.4000112.9K37 L38 Q39 R43 S44 L45K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 2.85Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.9Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.15Å; L41-S44 PolarHBondContact O-OG 3.03Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.23Å; L41-L45 PolarHBondContact O-N 3.35Å
42K56.6Low47.4Very low141 Ų141107.4 Ų107.461%0.61355%0.554SS**Hα-helixtrans-60.6-42.8174.2-74.3172.3179.9177.40112L38 Q39 S44 L45 S46L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.42Å; Q39-K42 PolarHBondContact O-N 3.18Å; Q39-K42 VanDerWaalsContact O-N 3.09Å; K42-S44 VanDerWaalsContact C-N 3.29Å; K42-S44 PolarHBondContact O-N 2.97Å; K42-L45 PolarHBondContact O-N 3.06Å; K42-S46 PolarHBondContact O-N 2.95Å
43R57.3Low47Very low23 Ų23114.4 Ų114.49%0.08757%0.565CS.*Hα-helixtrans-70.2-17.5-175-70.117379128.50.2114.5Q39 L41 E300 E302 D303 W322Q39-R43 WeakPolarHBondContact O-CB 3.21Å; Q39-R43 VanDerWaalsContact O-CG 3.29Å; Q39-R43 WeakPolarHBondContact O-CG 3.42Å; Q39-R43 PolarHBondContact O-N 3.12Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.15Å; R43-E300 IonicContact CZ-OE2 3.86Å; R43-E300 IonicContact NE-OE2 3.51Å; R43-E300 IonicContact NH1-OE2 3.2Å; R43-E300 PolarHBondContact NH1-OE2 3.03Å; R43-E302 IonicContact NH1-OE1 2.64Å; R43-E302 PolarHBondContact NH1-OE1 3.47Å; R43-D303 IonicContact CZ-OD1 3.26Å; R43-D303 IonicContact NH1-OD1 2.69Å; R43-D303 PolarHBondContact NH1-OD1 3.32Å; R43-D303 IonicContact NH2-OD1 3.52Å; R43-D303 PolarHBondContact NH2-OD1 2.71Å; R43-W322 PolarHBondContact O-NE1 3.02Å
44S51.9Low46.8Very low49 Ų49116.6 Ų116.634%0.34358%0.58SS.*Hα-helixtrans-98.8-27.4175.347.70000113.8K40 L41 K42K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 2.82Å; L41-S44 PolarHBondContact O-OG 3.03Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; K42-S44 VanDerWaalsContact C-N 3.29Å; K42-S44 PolarHBondContact O-N 2.97Å
45L49.4Very low47.1Very low107 Ų107119.4 Ų119.456%0.5659%0.59SS**Hα-helixtrans-78.8-27.1-179.7-69.3171.6000113.9L41 K42 F47 K48L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.23Å; L41-L45 PolarHBondContact O-N 3.35Å; K42-L45 PolarHBondContact O-N 3.06Å; L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.09Å; L45-K48 PolarHBondContact O-N 2.82Å
46S48.9Very low46.9Very low62 Ų62119.1 Ų119.143%0.43460%0.601SS.*Hα-helixtrans-63.3-26.6-172.260.30000115.3K42K42-S46 PolarHBondContact O-N 2.95Å
47F48.8Very low46Very low153 Ų153121.7 Ų121.767%0.67163%0.625SS**Hα-helixtrans-90.5-26177.5-73.3-80.4000113.8L45 T49 K50L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.09Å; F47-T49 PolarHBondContact O-N 3.47Å; F47-K50 PolarHBondContact O-N 3.11Å
48K43.3Very low45.9Very low174 Ų174123.2 Ų123.276%0.75764%0.639SS**Hα-helixtrans-70.6-16.9-170.8-154.2166.1-173.7171.30113.7L45L45-K48 PolarHBondContact O-N 2.82Å
49T42.8Very low45.4Very low109 Ų109126.2 Ų126.267%0.66966%0.656SS**THydrogen-bonded Turntrans-90.5-13-175.755.60000115F47F47-T49 PolarHBondContact O-N 3.47Å
50K43.7Very low44.6Very low188 Ų188132.5 Ų132.582%0.81768%0.683SS**SBendtrans-93.2-1.3-176.7-72.3179.3179.5170.50114.9F47F47-K50 PolarHBondContact O-N 3.11Å
51S40.9Very low43.5Very low106 Ų106135.6 Ų135.674%0.74170%0.697SS**  trans-102.639.5-176.1-169.80000114.7
52L43.2Very low42.6Very low170 Ų170139.8 Ų139.889%0.8971%0.714SS**  trans-122.283.8170.8-72.5176.2000111.6
53R37Very low41.3Very low245 Ų245144.7 Ų144.793%0.92573%0.728SS**  trans-122125.3158.5-160.2174.4-174.697-1.4108.1
54S38.2Very low39.9Very low112 Ų112149.9 Ų149.978%0.78376%0.762SS**  trans-72.9142.4-161.940.70000114.4S56S54-S56 PolarHBondContact O-N 3.18Å
55K45.4Very low38.8Very low216 Ų216154 Ų15494%0.93978%0.781SS**  trans-80.8102.7159.3-68.4-179.7178.7179.30108.8
56S39.5Very low38Very low114 Ų114154.2 Ų154.280%0.79779%0.791SS**  trans-16694.4163.5-1700000111.3S54S54-S56 PolarHBondContact O-N 3.18Å
57A34.3Very low37.3Very low91 Ų91160.7 Ų160.775%0.75281%0.814SS**  trans-16318.4168.900000114.6
58D39Very low36.4Very low158 Ų158160.6 Ų160.685%0.84582%0.821SS**  trans-120.545.9-172.2-73.6-72.8000112.8
59N34Very low35.8Very low165 Ų165157.1 Ų157.188%0.88282%0.815SS**  trans-149.356.6174.4-101.4-46.8000111.9
60F37.6Very low35.2Very low178 Ų178161 Ų16178%0.78182%0.822SS**  trans-140.3141.1168.2-153.8-115.6000108.6
61F31.4Very low34.4Very low186 Ų186160 Ų16082%0.81683%0.825SS**  trans7062.1-169.2-51-66.6000117.1
62Q32.1Very low33.9Very low189 Ų189163.5 Ų163.588%0.88383%0.83SS**  trans-127.3106.1144-73.7-167.217.100110.3
63R29.2Very low33.2Very low244 Ų244160.3 Ų160.392%0.92183%0.827SS**  trans160.6103.2146.9-94.3177.7179.1-151-1112.3
64T28.3Very low32.8Very low131 Ų131156.3 Ų156.380%0.80482%0.819SS**  trans171129.7152.943.10000105.1
65N28Very low32.4Very low137 Ų137158.7 Ų158.773%0.73382%0.82SS**  cis-142.3129.80.6-86.5-12.3000106.4
66S31.9Very low31.7Very low111 Ų111154.5 Ų154.578%0.77681%0.812SS**  46.5118103.872.10000115.4
67E33.8Very low31.1Very low197 Ų197153.3 Ų153.392%0.92181%0.809SS**  trans-82.7148.4178.6-58.8168108.100112.5
68D29.9Very low30.8Very low151 Ų151157.3 Ų157.381%0.80781%0.812SS**  trans-166.5144.9163-166.7-102.4000108.5
69T32.5Very low30.3Very low102 Ų102157 Ų15763%0.62681%0.809SS**  cis-156141.6-29.1-96.60000108.1
70K29.1Very low30.1Very low190 Ų190154.2 Ų154.283%0.82680%0.803SS**  trans12.5124.4153-175.6-172.8-177.4-179.30119.2
71L26.9Very low30.6Very low168 Ų168151.1 Ų151.188%0.8880%0.8SS**  trans-154.1129.3132.9-109.8175.6000112
72Q30Very low30.4Very low179 Ų179147.7 Ų147.784%0.83680%0.799SS**  trans-115.8145.4162.5-87.8-173.1-14.700108.3
73A29.3Very low30.3Very low102 Ų102144 Ų14484%0.84380%0.795SS**  trans-139.1162.8162.100000108.4
74H29.2Very low30.4Very low162 Ų162137.8 Ų137.875%0.7579%0.788SS**  trans-144.9166.7-154.6-153.1-97.2000111.2
75M29.7Very low31.1Very low162 Ų162137.6 Ų137.680%0.79879%0.789SS**  trans78.1153.2166.2-50.3-168.6-170.300117.1
76V29.8Very low31.3Very low128 Ų128138.7 Ų138.778%0.77679%0.794SS**  cis-165.3164.9-14.8127.80000109.4
77A28.1Very low31.5Very low89 Ų89139.6 Ų139.674%0.73680%0.798SS**  trans71.7162.4160.800000118.8
78E28.1Very low31.4Very low175 Ų175134.5 Ų134.582%0.81879%0.789SS**  cis-179.6-175.3-41.6-116.1-74.6165.400107.1
79I27.8Very low32.1Very low150 Ų150133.8 Ų133.877%0.76979%0.793SS**  trans84.6120.3166-49.4178000117.2
80S30.6Very low31.9Very low108 Ų108132.1 Ų132.176%0.75580%0.796SS**  trans-115.2-173.4162.2-66.60000107.9
81P46.6Very low31.9Very low113 Ų113128.4 Ų128.473%0.73479%0.794SS**  cis-149.2-164.714.645.2-23.7000117.3
82S28.6Very low32.1Very low113 Ų113128 Ų12879%0.7979%0.792SS**  trans77.7154.3158.3830000117.6
83S29.5Very low32Very low113 Ų113126.1 Ų126.179%0.7979%0.793SS**  cis-147.51625.342.10000113.6
84S31.3Very low32Very low112 Ų112126 Ų12678%0.78379%0.786SS**  trans-88.4-177.8173.6-22.70000111.5
85P43.1Very low32.1Very low128 Ų128124.9 Ų124.983%0.83179%0.791SS**  cis-144.3-166.632.442.8-20.2000117.6
86L31.5Very low32.4Very low159 Ų159123 Ų12383%0.83279%0.791SS**  trans-82.6174178.7-63.9161.5000113.2
87P36.3Very low32.5Very low131 Ų131122 Ų12285%0.85180%0.796SS**  -140.8175.296.439.2-26.3000116.3
88A32.6Very low32.8Very low90 Ų90129.3 Ų129.374%0.74480%0.804SS**  trans-135.9-168.3175.700000108
89P44.3Very low33Very low135 Ų135125.2 Ų125.288%0.87780%0.801SS**  cis-141.7-175.85.344.1-24.5000117.2
90G28.2Very low33Very low68 Ų68120.6 Ų120.670%0.70179%0.79SS**  trans151.8107.9168.300000110.5
91S27.9Very low33.2Very low112 Ų112123.6 Ų123.678%0.78380%0.797SS**  66.1114.858.1-156.10000111.6
92L31.2Very low32.6Very low159 Ų159126.5 Ų126.583%0.83280%0.8SS**  cis-121.1-166.81.9-64.9168.5000109.1
93T27.6Very low33.4Very low139 Ų139127.3 Ų127.385%0.85380%0.803SS**  cis-141.2-167.810.959.10000111.1
94S30.3Very low34.1Very low101 Ų101124.2 Ų124.271%0.70679%0.788SS**  trans-113.7130.9-175.455.60000115
95T31.4Very low34.9Very low138 Ų138122.1 Ų122.185%0.84778%0.784SS**  174.9135.6129.226.20000111.9
96P36.5Very low36.1Very low123 Ų123123.7 Ų123.780%0.79978%0.778SS**  trans-87.3116169.132.2-30.1000111.2R98P96-R98 PolarHBondContact O-N 3.2Å
97A31.6Very low38.3Very low106 Ų106120.2 Ų120.288%0.87677%0.772SS**  trans-67.5101.6174.500000111A99A97-A99 PolarHBondContact O-N 3.32Å
98R33.3Very low40.5Very low242 Ų242115.4 Ų115.491%0.91374%0.738SS**  trans-44.6103.2179.9-177.1-178.6-174170.90.9112.9P96 G100P96-R98 PolarHBondContact O-N 3.2Å; R98-G100 PolarHBondContact O-N 3.47Å; R98-G100 VanDerWaalsContact O-N 3.17Å
99A32.7Very low43.1Very low90 Ų90113.8 Ų113.874%0.74473%0.725SS**  trans-60.3117.2171.600000110.2A97 L101A97-A99 PolarHBondContact O-N 3.32Å; A99-L101 PolarHBondContact O-N 2.91Å
100G28.7Very low45.3Very low53 Ų53109.6 Ų109.655%0.54669%0.693SS.*  trans-70.2119.8-172.800000113.2R98 H102R98-G100 PolarHBondContact O-N 3.47Å; R98-G100 VanDerWaalsContact O-N 3.17Å; G100-H102 PolarHBondContact O-N 2.87Å; G100-H102 VanDerWaalsContact O-N 3.09Å
101L33.6Very low48.2Very low171 Ų171110.5 Ų110.590%0.89568%0.679SS**  trans-72.397.1168.1-76.6107.8000110.2A99A99-L101 PolarHBondContact O-N 2.91Å
102H34.7Very low51.2Low174 Ų174109.8 Ų109.881%0.80667%0.667SS**  trans-111.9103.7171.7-70.8-84.2000112G100G100-H102 PolarHBondContact O-N 2.87Å; G100-H102 VanDerWaalsContact O-N 3.09Å
103P45.2Very low53.9Low130 Ų130107.3 Ų107.384%0.84465%0.647SS**  trans-85.4130.8159.632.9-28.7000109.9
104G43.6Very low56.8Low48 Ų48105.5 Ų105.550%0.49563%0.631SS.*  cis-174.536.3-0.500000115.2K106G104-K106 PolarHBondContact O-N 2.73Å
105G48.9Very low59.3Low67 Ų67101 Ų10169%0.69160%0.598SS**  trans-83.278.6179.300000113.7
106K68.3Low61.8Low162 Ų162104 Ų10470%0.70460%0.6SS**  trans-73.9140.3-175.1-62-171.3179.2-173.80112.9G104 C159G104-K106 PolarHBondContact O-N 2.73Å; K106-C159 VanDerWaalsContact O-CB 3.23Å; K106-C159 WeakPolarHBondContact O-CB 3.27Å; K106-C159 PolarHBondContact O-N 3.06Å; K106-C159 VanDerWaalsContact O-N 3.12Å
107A78.2Confident63.9Low86 Ų86106 Ų10671%0.71160%0.596SS**  trans-65160.8166.400000111.4A109A107-A109 PolarHBondContact O-N 2.87Å
108H82.9Confident66.4Low29 Ų29105.1 Ų105.113%0.13458%0.581CS.*  trans-71.2101.2178.8-77.8-97000111.9F110 C142 Q157 C159H108-F110 HydrophobicContact CB-CD2 3.72Å; H108-F110 HydrophobicContact CB-CE2 3.27Å; H108-F110 HydrophobicContact CB-CZ 3.89Å; H108-F110 AromaticContact CG-CE2 3.91Å; H108-F110 AromaticContact ND1-CZ 3.99Å; H108-F110 WeakPolarHBondContact O-CD2 3.44Å; H108-F110 PolarHBondContact O-N 3.16Å; H108-C142 VanDerWaalsContact CE1-SG 3.5Å; H108-C142 PolarHBondContact ND1-SG 3.06Å; H108-C142 VanDerWaalsContact ND1-SG 3.45Å; H108-Q157 PolarHBondContact CD2-O 3.37Å; H108-Q157 VanDerWaalsContact CD2-O 3.29Å; H108-C159 HydrophobicContact CB-CB 4.38Å; H108-C159 WeakPolarHBondContact NE2-CA 3.32Å
109A87.1Confident68.8Low57 Ų5794.9 Ų94.947%0.47155%0.546SS..  trans-70.989.2169.500000110.7A107 C139 K140A107-A109 PolarHBondContact O-N 2.87Å; A109-C139 CarbonylContact O-C 3.56Å; A109-C139 WeakPolarHBondContact O-CA 3.38Å; A109-K140 PolarHBondContact O-N 3.11Å
110F89.4Confident71.4Confident46 Ų4696.3 Ų96.320%0.20254%0.535CS..  trans-77.8158.8174.2-76.8-70.8000112.7H108 L137 C139 M144 I146 L154H108-F110 HydrophobicContact CB-CD2 3.72Å; H108-F110 HydrophobicContact CB-CE2 3.27Å; H108-F110 HydrophobicContact CB-CZ 3.89Å; H108-F110 AromaticContact CG-CE2 3.91Å; H108-F110 AromaticContact ND1-CZ 3.99Å; H108-F110 WeakPolarHBondContact O-CD2 3.44Å; H108-F110 PolarHBondContact O-N 3.16Å; F110-L137 HydrophobicContact CB-CB 4.13Å; F110-L137 HydrophobicContact CB-CD1 4.46Å; F110-L137 HydrophobicContact CB-CD2 4.41Å; F110-L137 HydrophobicContact CD1-CB 3.78Å; F110-L137 HydrophobicContact CG-CB 4.16Å; F110-C139 HydrophobicContact CD1-CB 3.93Å; F110-C139 HydrophobicContact CE1-CB 3.71Å; F110-C139 HydrophobicContact CZ-CB 4.24Å; F110-M144 HydrophobicContact CE1-CB 4.36Å; F110-I146 HydrophobicContact CD1-CD1 4.18Å; F110-I146 HydrophobicContact CD1-CG1 4.3Å; F110-I146 HydrophobicContact CD2-CD1 4.32Å; F110-I146 HydrophobicContact CE1-CD1 3.71Å; F110-I146 HydrophobicContact CE1-CG1 3.85Å; F110-I146 HydrophobicContact CE2-CD1 3.83Å; F110-I146 HydrophobicContact CG-CD1 4.49Å; F110-I146 HydrophobicContact CZ-CD1 3.53Å; F110-I146 HydrophobicContact CZ-CG1 4.16Å; F110-L154 HydrophobicContact CE2-CD1 3.51Å; F110-L154 HydrophobicContact CZ-CD1 3.38Å
111Q89.4Confident74.2Confident87 Ų8793.8 Ų93.841%0.40751%0.509SS..  trans-154.4145.2174.1-174.776.374.300108.2L137 R138 K140Q111-L137 CarbonylContact O-C 3.59Å; Q111-L137 WeakPolarHBondContact O-CA 3.38Å; Q111-R138 PolarHBondContact N-O 3.06Å; Q111-R138 VanDerWaalsContact N-O 3.16Å; Q111-R138 PolarHBondContact O-N 3.49Å; Q111-K140 HydrophobicContact CB-CG 4.38Å
112D90.6Very high76.7Confident98 Ų9887.4 Ų87.452%0.52448%0.476SS..EExtended strand (participates in β ladder)trans-57138.2173.3-42.3-61.9000111.4L137 H148D112-L137 VanDerWaalsContact OD1-CD2 3.32Å; D112-L137 WeakPolarHBondContact OD1-CD2 3.47Å; D112-H148 IonicContact OD1-CE1 3.22Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 VanDerWaalsContact OD1-CE1 3.22Å
113Y87.7Confident79.2Confident106 Ų10681.8 Ų81.842%0.41645%0.454SS..EExtended strand (participates in β ladder)trans-148.7133.3-176.4-170.1-95.8000111.4F115 G136 R138Y113-F115 AromaticContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD2 4.21Å; Y113-F115 AromaticContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE2 4.15Å; Y113-F115 AromaticContact CD1-CG 3.97Å; Y113-F115 HydrophobicContact CD1-CG 3.97Å; Y113-F115 AromaticContact CD1-CZ 3.88Å; Y113-F115 HydrophobicContact CD1-CZ 3.88Å; Y113-F115 AromaticContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CE1 4.22Å; Y113-F115 HydrophobicContact CE1-CG 4.4Å; Y113-F115 WeakPolarHBondContact O-CD2 3.5Å; Y113-F115 WeakPolarHBondContact O-CE2 3.35Å; Y113-G136 PolarHBondContact N-O 2.71Å; Y113-G136 PolarHBondContact O-N 3.12Å; Y113-R138 HydrophobicContact CD1-CB 4.47Å; Y113-R138 HydrophobicContact CG-CB 4.03Å
114I88.4Confident81Confident101 Ų10177.8 Ų77.852%0.51843%0.428SS..EExtended strand (participates in β ladder)trans-92.8109.4178.9-48.5-173000109.1K116 A133I114-K116 PolarHBondContact O-N 2.81Å; I114-K116 VanDerWaalsContact O-N 3.12Å; I114-A133 HydrophobicContact CG2-CB 4.38Å
115F84.3Confident82.9Confident6 Ų679.8 Ų79.83%0.02643%0.428CS..  trans-80.395.4-174.6-63-88.6000111.9Y113 K117 T119 I128 K134 R138 S145Y113-F115 AromaticContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD2 4.21Å; Y113-F115 AromaticContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE2 4.15Å; Y113-F115 AromaticContact CD1-CG 3.97Å; Y113-F115 HydrophobicContact CD1-CG 3.97Å; Y113-F115 AromaticContact CD1-CZ 3.88Å; Y113-F115 HydrophobicContact CD1-CZ 3.88Å; Y113-F115 AromaticContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CE1 4.22Å; Y113-F115 HydrophobicContact CE1-CG 4.4Å; Y113-F115 WeakPolarHBondContact O-CD2 3.5Å; Y113-F115 WeakPolarHBondContact O-CE2 3.35Å; F115-K117 PolarHBondContact O-N 2.9Å; F115-T119 HydrophobicContact CD1-CG2 3.65Å; F115-T119 WeakPolarHBondContact CD1-OG1 3.39Å; F115-T119 HydrophobicContact CE1-CG2 3.77Å; F115-T119 HydrophobicContact CG-CG2 4.43Å; F115-I128 HydrophobicContact CD2-CD1 4.38Å; F115-I128 HydrophobicContact CD2-CG2 3.92Å; F115-I128 HydrophobicContact CE1-CD1 4.48Å; F115-I128 HydrophobicContact CE2-CD1 3.89Å; F115-I128 HydrophobicContact CE2-CG2 4.05Å; F115-I128 HydrophobicContact CZ-CD1 3.95Å; F115-K134 HydrophobicContact CB-CB 4.02Å; F115-K134 WeakPolarHBondContact CD2-O 3.47Å; F115-K134 PolarHBondContact N-O 2.76Å; F115-K134 WeakPolarHBondContact O-CD 3.35Å; F115-R138 HydrophobicContact CZ-CB 4.21Å; F115-S145 WeakPolarHBondContact CE1-OG 3.46Å
116K82.1Confident84.5Confident203 Ų20382.9 Ų82.988%0.88342%0.424SS*.SBendtrans-59.3-15.7176-64.4-168177.4-170.70114.9I114I114-K116 PolarHBondContact O-N 2.81Å; I114-K116 VanDerWaalsContact O-N 3.12Å
117K82Confident85.4Confident165 Ų16578.8 Ų78.872%0.71741%0.408SS*.SBendtrans-122.1151.6173.9-68.5-168.9175.8-169.90110.1F115 T119F115-K117 PolarHBondContact O-N 2.9Å; K117-T119 PolarHBondContact O-N 3.45Å; K117-T119 PolarHBondContact O-OG1 3.08Å
118P83.2Confident85.8Confident86 Ų8674.7 Ų74.756%0.55837%0.374SS*.  trans-45.7125.5165.8-24.734.1000110.2M127P118-M127 HydrophobicContact CB-SD 3.99Å
119T84.4Confident85.6Confident27 Ų2777.5 Ų77.517%0.16639%0.394CS..  trans-139.4134.5-177.1-56.90000107.2F115 K117 I128F115-T119 HydrophobicContact CD1-CG2 3.65Å; F115-T119 WeakPolarHBondContact CD1-OG1 3.39Å; F115-T119 HydrophobicContact CE1-CG2 3.77Å; F115-T119 HydrophobicContact CG-CG2 4.43Å; K117-T119 PolarHBondContact O-N 3.45Å; K117-T119 PolarHBondContact O-OG1 3.08Å; T119-I128 HydrophobicContact CG2-CD1 4.27Å; T119-I128 WeakPolarHBondContact O-CB 3.47Å; T119-I128 PolarHBondContact O-N 3.3Å
120F87.3Confident84.6Confident121 Ų12176.9 Ų76.953%0.53139%0.392SS..BIsolated β-bridgetrans-94.3153.9177.7-61.4-90.2000110.2N125 M127F120-N125 WeakPolarHBondContact CD1-O 3.39Å; F120-M127 HydrophobicContact CD1-CB 3.94Å; F120-M127 HydrophobicContact CE1-CB 3.86Å; F120-M127 HydrophobicContact CE1-CG 4.46Å
121C87.9Confident83.4Confident0 Ų082 Ų820%043%0.427CS..  trans-77.1120.3175172.20000109.7V123 C124 N125 H126 I128 S145 I146 H147C121-V123 PolarHBondContact O-N 2.88Å; C121-V123 PolarHBondContact SG-N 3.35Å; C121-C124 VanDerWaalsContact SG-SG 3.61Å; C121-N125 WeakPolarHBondContact O-CA 3.43Å; C121-N125 PolarHBondContact O-N 2.84Å; C121-H126 WeakPolarHBondContact CB-O 3.32Å; C121-H126 PolarHBondContact N-O 2.85Å; C121-I128 HydrophobicContact CB-CG1 4.13Å; C121-S145 CarbonylContact C-O 3.56Å; C121-S145 VanDerWaalsContact CA-O 3.32Å; C121-S145 WeakPolarHBondContact CA-O 3.44Å; C121-I146 VanDerWaalsContact SG-CA 3.55Å; C121-H147 VanDerWaalsContact CB-CE1 3.42Å; C121-H147 WeakPolarHBondContact CB-CE1 3.24Å; C121-H147 WeakPolarHBondContact CB-ND1 3.4Å
122D86.1Confident81.9Confident37 Ų3784.6 Ų84.620%0.19844%0.444CS..THydrogen-bonded Turntrans-67.78.6179.7-62.2-61.2000113.5M144 S145 R168D122-M144 HydrophobicContact CB-CE 4.36Å; D122-M144 HydrophobicContact CB-CG 3.77Å; D122-M144 HydrophobicContact CB-SD 3.53Å; D122-M144 VanDerWaalsContact CB-SD 3.53Å; D122-M144 WeakPolarHBondContact OD2-CA 3.34Å; D122-S145 PolarHBondContact N-O 3.14Å; D122-S145 PolarHBondContact OD2-N 2.91Å; D122-R168 IonicContact OD1-NH1 2.75Å; D122-R168 PolarHBondContact OD1-NH1 2.93Å; D122-R168 IonicContact OD2-NH1 2.72Å
123V85.3Confident80.6Confident55 Ų5581.2 Ų81.233%0.33343%0.43SS..THydrogen-bonded Turntrans-115.7-54.4177.6172.30000111.9C121 I146 C150 L154C121-V123 PolarHBondContact O-N 2.88Å; C121-V123 PolarHBondContact SG-N 3.35Å; V123-I146 HydrophobicContact CB-CG2 4.43Å; V123-I146 HydrophobicContact CG2-CG2 3.71Å; V123-C150 HydrophobicContact CB-CB 4.15Å; V123-C150 HydrophobicContact CG1-CB 4.15Å; V123-L154 HydrophobicContact CG2-CD1 4.02Å; V123-L154 HydrophobicContact CG2-CD2 3.58Å; V123-L154 HydrophobicContact CG2-CG 3.74Å
124C84.7Confident79.6Confident46 Ų4679.5 Ų79.531%0.31143%0.425SS..THydrogen-bonded Turntrans-103.32.9-177.471.10000113.7C121 H126 H147C121-C124 VanDerWaalsContact SG-SG 3.61Å; C124-H126 PolarHBondContact O-N 3.41Å; C124-H126 PolarHBondContact O-ND1 3.04Å; C124-H147 VanDerWaalsContact SG-CE1 3.52Å; C124-H147 PolarHBondContact SG-ND1 2.83Å; C124-H147 VanDerWaalsContact SG-ND1 3.4Å
125N83.7Confident79.2Confident90 Ų9079 Ų7948%0.48142%0.42SS..  trans56.7-3-176.4-70.6-17.4000117F120 C121 Y171F120-N125 WeakPolarHBondContact CD1-O 3.39Å; C121-N125 WeakPolarHBondContact O-CA 3.43Å; C121-N125 PolarHBondContact O-N 2.84Å; N125-Y171 PolarHBondContact ND2-O 2.81Å
126H82.3Confident79.4Confident133 Ų13378.7 Ų78.762%0.61642%0.419SS*.  trans-75.5153.4176.4-71.372.6000111.8C121 C124 H147C121-H126 WeakPolarHBondContact CB-O 3.32Å; C121-H126 PolarHBondContact N-O 2.85Å; C124-H126 PolarHBondContact O-N 3.41Å; C124-H126 PolarHBondContact O-ND1 3.04Å; H126-H147 PolarHBondContact O-CE1 3.14Å
127M86.3Confident79.8Confident75 Ų7569.9 Ų69.937%0.36938%0.381SS..BIsolated β-bridgetrans-66137.6179.8-172.8164.745.300111.5P118 F120 V129 H147P118-M127 HydrophobicContact CB-SD 3.99Å; F120-M127 HydrophobicContact CD1-CB 3.94Å; F120-M127 HydrophobicContact CE1-CB 3.86Å; F120-M127 HydrophobicContact CE1-CG 4.46Å; M127-V129 HydrophobicContact CB-CG1 4.24Å; M127-V129 HydrophobicContact CE-CG1 3.78Å; M127-V129 HydrophobicContact CG-CG1 3.89Å; M127-V129 PolarHBondContact O-N 3.39Å; M127-V129 HydrophobicContact SD-CG1 4.33Å; M127-H147 PolarHBondContact O-NE2 2.89Å
128I87.6Confident80.1Confident0 Ų064.8 Ų64.80%036%0.358CS..  trans-75.591.6172.3-56.3175.6000107.9F115 T119 C121 K134 H135F115-I128 HydrophobicContact CD2-CD1 4.38Å; F115-I128 HydrophobicContact CD2-CG2 3.92Å; F115-I128 HydrophobicContact CE1-CD1 4.48Å; F115-I128 HydrophobicContact CE2-CD1 3.89Å; F115-I128 HydrophobicContact CE2-CG2 4.05Å; F115-I128 HydrophobicContact CZ-CD1 3.95Å; T119-I128 HydrophobicContact CG2-CD1 4.27Å; T119-I128 WeakPolarHBondContact O-CB 3.47Å; T119-I128 PolarHBondContact O-N 3.3Å; C121-I128 HydrophobicContact CB-CG1 4.13Å; I128-K134 WeakPolarHBondContact O-CG 3.49Å; I128-H135 WeakPolarHBondContact CG2-O 3.49Å
129V77.1Confident80.4Confident89 Ų8960.7 Ų60.754%0.53933%0.331SS..  trans-111148.2173.7-64.40000110M127M127-V129 HydrophobicContact CB-CG1 4.24Å; M127-V129 HydrophobicContact CE-CG1 3.78Å; M127-V129 HydrophobicContact CG-CG1 3.89Å; M127-V129 PolarHBondContact O-N 3.39Å; M127-V129 HydrophobicContact SD-CG1 4.33Å
130G66.4Low80.5Confident43 Ų4365.1 Ų65.144%0.44335%0.348SS..  trans-147158.1171.400000108.8N132 A133G130-N132 PolarHBondContact O-N 2.93Å; G130-A133 CarbonylContact C-O 3.5Å; G130-A133 VanDerWaalsContact CA-O 3.24Å; G130-A133 WeakPolarHBondContact CA-O 3.36Å
131T64.6Low80.4Confident153 Ų15361.3 Ų61.394%0.93934%0.338SS*.SBendtrans-68.7-28.6-166.145.90000114.5
132N58.3Low80.2Confident142 Ų14262.5 Ų62.576%0.75935%0.346SS*.SBendtrans-120.2-25.5178.755.84.2000113.3G130G130-N132 PolarHBondContact O-N 2.93Å
133A62.1Low80.2Confident28 Ų2865.9 Ų65.923%0.23136%0.36CS..SBendtrans-155.2159.6173.300000111I114 G130 H135I114-A133 HydrophobicContact CG2-CB 4.38Å; G130-A133 CarbonylContact C-O 3.5Å; G130-A133 VanDerWaalsContact CA-O 3.24Å; G130-A133 WeakPolarHBondContact CA-O 3.36Å; A133-H135 WeakPolarHBondContact CB-NE2 3.26Å; A133-H135 PolarHBondContact O-N 2.9Å
134K68Low80.3Confident69 Ų6965.6 Ų65.630%0.336%0.355SS..  trans-76.574.4173.7-64.9176.7-178.7166.70109.6F115 I128F115-K134 HydrophobicContact CB-CB 4.02Å; F115-K134 WeakPolarHBondContact CD2-O 3.47Å; F115-K134 PolarHBondContact N-O 2.76Å; F115-K134 WeakPolarHBondContact O-CD 3.35Å; I128-K134 WeakPolarHBondContact O-CG 3.49Å
135H79.9Confident80.6Confident91 Ų9163.4 Ų63.442%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-86.5133.3175.8-71.6-176.6000110.7I128 A133I128-H135 WeakPolarHBondContact CG2-O 3.49Å; A133-H135 WeakPolarHBondContact CB-NE2 3.26Å; A133-H135 PolarHBondContact O-N 2.9Å
136G88.3Confident80.9Confident0 Ų059.1 Ų59.10%032%0.318CS..EExtended strand (participates in β ladder)trans-169.9178.417200000109.9Y113 I146Y113-G136 PolarHBondContact N-O 2.71Å; Y113-G136 PolarHBondContact O-N 3.12Å; G136-I146 CarbonylContact C-O 3.48Å; G136-I146 WeakPolarHBondContact CA-O 3.29Å
137L89.4Confident81.2Confident17 Ų1754.6 Ų54.69%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-94136.2-176.1-64.1169.7000110.6F110 Q111 D112 S145 I146 T151F110-L137 HydrophobicContact CB-CB 4.13Å; F110-L137 HydrophobicContact CB-CD1 4.46Å; F110-L137 HydrophobicContact CB-CD2 4.41Å; F110-L137 HydrophobicContact CD1-CB 3.78Å; F110-L137 HydrophobicContact CG-CB 4.16Å; Q111-L137 CarbonylContact O-C 3.59Å; Q111-L137 WeakPolarHBondContact O-CA 3.38Å; D112-L137 VanDerWaalsContact OD1-CD2 3.32Å; D112-L137 WeakPolarHBondContact OD1-CD2 3.47Å; L137-S145 CarbonylContact O-C 3.57Å; L137-S145 WeakPolarHBondContact O-CA 3.41Å; L137-I146 HydrophobicContact CB-CD1 4.36Å; L137-I146 HydrophobicContact CB-CG1 3.78Å; L137-I146 HydrophobicContact CD1-CD1 4.36Å; L137-I146 HydrophobicContact CD1-CG1 4.47Å; L137-I146 PolarHBondContact N-O 2.78Å; L137-I146 PolarHBondContact O-N 3.03Å; L137-T151 HydrophobicContact CD1-CG2 3.33Å
138R89.3Confident81.3Confident59 Ų5955.3 Ų55.322%0.22330%0.299CS..EExtended strand (participates in β ladder)trans-123126.3171.9177.6165-87.9179.3-6.9111.2Q111 Y113 F115 K140 M144 S145Q111-R138 PolarHBondContact N-O 3.06Å; Q111-R138 VanDerWaalsContact N-O 3.16Å; Q111-R138 PolarHBondContact O-N 3.49Å; Y113-R138 HydrophobicContact CD1-CB 4.47Å; Y113-R138 HydrophobicContact CG-CB 4.03Å; F115-R138 HydrophobicContact CZ-CB 4.21Å; R138-K140 PolarHBondContact O-N 2.95Å; R138-M144 CarbonylContact C-O 3.56Å; R138-M144 VanDerWaalsContact CA-O 3.26Å; R138-M144 WeakPolarHBondContact CA-O 3.34Å; R138-S145 PolarHBondContact NE-OG 3.12Å; R138-S145 PolarHBondContact NH2-OG 3.05Å
139C89.3Confident81.3Confident0 Ų064.9 Ų64.90%034%0.34CS..  trans-68.7127.1178.8-175.60000110.9A109 F110 A141 C142 K143 M144A109-C139 CarbonylContact O-C 3.56Å; A109-C139 WeakPolarHBondContact O-CA 3.38Å; F110-C139 HydrophobicContact CD1-CB 3.93Å; F110-C139 HydrophobicContact CE1-CB 3.71Å; F110-C139 HydrophobicContact CZ-CB 4.24Å; C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 2.95Å; C139-C142 VanDerWaalsContact CB-SG 3.6Å; C139-K143 VanDerWaalsContact O-CA 3.27Å; C139-K143 WeakPolarHBondContact O-CA 3.47Å; C139-K143 PolarHBondContact O-N 2.96Å; C139-M144 HydrophobicContact CB-CB 4.1Å; C139-M144 PolarHBondContact N-O 3.29Å
140K87.3Confident81.7Confident120 Ų12061.6 Ų61.652%0.52232%0.321SS..THydrogen-bonded Turntrans-58.8-37.2-179.9-76.9175.41751620112.3A109 Q111 R138 K143A109-K140 PolarHBondContact O-N 3.11Å; Q111-K140 HydrophobicContact CB-CG 4.38Å; R138-K140 PolarHBondContact O-N 2.95Å; K140-K143 WeakPolarHBondContact O-CE 3.27Å; K140-K143 PolarHBondContact O-NZ 3.48Å
141A83.9Confident82.5Confident40 Ų4061.8 Ų61.833%0.33131%0.314SS..THydrogen-bonded Turntrans-81.5-68.6-178.500000113.1C139C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 2.95Å
142C84.5Confident83.1Confident25 Ų2560.6 Ų60.617%0.16930%0.302CS..THydrogen-bonded Turntrans-88.7-4.8-171.961.10000115.8H108 C139 M144 G161H108-C142 VanDerWaalsContact CE1-SG 3.5Å; H108-C142 PolarHBondContact ND1-SG 3.06Å; H108-C142 VanDerWaalsContact ND1-SG 3.45Å; C139-C142 VanDerWaalsContact CB-SG 3.6Å; C142-M144 PolarHBondContact O-N 2.91Å; C142-M144 VanDerWaalsContact O-N 3.14Å; C142-G161 WeakPolarHBondContact CA-O 3.09Å; C142-G161 WeakPolarHBondContact CB-O 3.22Å
143K86.6Confident83.7Confident109 Ų10956.4 Ų56.447%0.47429%0.292SS..  trans59.916.3-177.4-46.5-52.7-172.8-169.10114.9C139 K140 S145 R168C139-K143 VanDerWaalsContact O-CA 3.27Å; C139-K143 WeakPolarHBondContact O-CA 3.47Å; C139-K143 PolarHBondContact O-N 2.96Å; K140-K143 WeakPolarHBondContact O-CE 3.27Å; K140-K143 PolarHBondContact O-NZ 3.48Å; K143-S145 PolarHBondContact O-OG 2.96Å; K143-S145 VanDerWaalsContact O-OG 3.11Å; K143-R168 PolarHBondContact O-NH2 3.47Å
144M87.3Confident84Confident48 Ų4855.9 Ų55.924%0.23629%0.285CS..  trans-47.6138.5162.4-151.277125.600109.6F110 D122 R138 C139 C142 I146F110-M144 HydrophobicContact CE1-CB 4.36Å; D122-M144 HydrophobicContact CB-CE 4.36Å; D122-M144 HydrophobicContact CB-CG 3.77Å; D122-M144 HydrophobicContact CB-SD 3.53Å; D122-M144 VanDerWaalsContact CB-SD 3.53Å; D122-M144 WeakPolarHBondContact OD2-CA 3.34Å; R138-M144 CarbonylContact C-O 3.56Å; R138-M144 VanDerWaalsContact CA-O 3.26Å; R138-M144 WeakPolarHBondContact CA-O 3.34Å; C139-M144 HydrophobicContact CB-CB 4.1Å; C139-M144 PolarHBondContact N-O 3.29Å; C142-M144 PolarHBondContact O-N 2.91Å; C142-M144 VanDerWaalsContact O-N 3.14Å; M144-I146 HydrophobicContact CG-CG2 4.48Å
145S89.5Confident83.6Confident1 Ų157.5 Ų57.51%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-129.1122.9-173.3-550000108.7F115 C121 D122 L137 R138 K143F115-S145 WeakPolarHBondContact CE1-OG 3.46Å; C121-S145 CarbonylContact C-O 3.56Å; C121-S145 VanDerWaalsContact CA-O 3.32Å; C121-S145 WeakPolarHBondContact CA-O 3.44Å; D122-S145 PolarHBondContact N-O 3.14Å; D122-S145 PolarHBondContact OD2-N 2.91Å; L137-S145 CarbonylContact O-C 3.57Å; L137-S145 WeakPolarHBondContact O-CA 3.41Å; R138-S145 PolarHBondContact NE-OG 3.12Å; R138-S145 PolarHBondContact NH2-OG 3.05Å; K143-S145 PolarHBondContact O-OG 2.96Å; K143-S145 VanDerWaalsContact O-OG 3.11Å
146I90.5Very high82.7Confident0 Ų057.7 Ų57.70%032%0.323CS..EExtended strand (participates in β ladder)trans-141.5161.7-172.366.2174.2000112.5F110 C121 V123 G136 L137 M144 C150 T151 L154F110-I146 HydrophobicContact CD1-CD1 4.18Å; F110-I146 HydrophobicContact CD1-CG1 4.3Å; F110-I146 HydrophobicContact CD2-CD1 4.32Å; F110-I146 HydrophobicContact CE1-CD1 3.71Å; F110-I146 HydrophobicContact CE1-CG1 3.85Å; F110-I146 HydrophobicContact CE2-CD1 3.83Å; F110-I146 HydrophobicContact CG-CD1 4.49Å; F110-I146 HydrophobicContact CZ-CD1 3.53Å; F110-I146 HydrophobicContact CZ-CG1 4.16Å; C121-I146 VanDerWaalsContact SG-CA 3.55Å; V123-I146 HydrophobicContact CB-CG2 4.43Å; V123-I146 HydrophobicContact CG2-CG2 3.71Å; G136-I146 CarbonylContact C-O 3.48Å; G136-I146 WeakPolarHBondContact CA-O 3.29Å; L137-I146 HydrophobicContact CB-CD1 4.36Å; L137-I146 HydrophobicContact CB-CG1 3.78Å; L137-I146 HydrophobicContact CD1-CD1 4.36Å; L137-I146 HydrophobicContact CD1-CG1 4.47Å; L137-I146 PolarHBondContact N-O 2.78Å; L137-I146 PolarHBondContact O-N 3.03Å; M144-I146 HydrophobicContact CG-CG2 4.48Å; I146-C150 HydrophobicContact CB-CB 4.29Å; I146-T151 HydrophobicContact CD1-CG2 4.28Å; I146-L154 HydrophobicContact CD1-CD1 3.81Å; I146-L154 HydrophobicContact CG2-CD1 4.33Å
147H89.9Confident81.9Confident37 Ų3762.7 Ų62.717%0.17135%0.346CS..  trans-71.2156.5164.1-52.395000110.9C121 C124 H126 M127 K149 C150C121-H147 VanDerWaalsContact CB-CE1 3.42Å; C121-H147 WeakPolarHBondContact CB-CE1 3.24Å; C121-H147 WeakPolarHBondContact CB-ND1 3.4Å; C124-H147 VanDerWaalsContact SG-CE1 3.52Å; C124-H147 PolarHBondContact SG-ND1 2.83Å; C124-H147 VanDerWaalsContact SG-ND1 3.4Å; H126-H147 PolarHBondContact O-CE1 3.14Å; M127-H147 PolarHBondContact O-NE2 2.89Å; H147-K149 PolarHBondContact O-N 3.37Å; H147-C150 HydrophobicContact CB-CB 4.44Å; H147-C150 PolarHBondContact O-N 3.41Å
148H88Confident81.5Confident91 Ų9170.5 Ų70.542%0.42138%0.375SS..G310 helixtrans-58.3-32.8172.1-66.2-100.5000112.7D112 C150 T151D112-H148 IonicContact OD1-CE1 3.22Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 VanDerWaalsContact OD1-CE1 3.22Å; H148-C150 PolarHBondContact O-N 3.33Å; H148-T151 PolarHBondContact O-OG1 3.5Å
149K86.2Confident81.2Confident201 Ų20168.5 Ų68.587%0.87437%0.369SS*.G310 helixtrans-75.81.4176.2-59.3-172.7179-173.50114.3H147H147-K149 PolarHBondContact O-N 3.37Å
150C86.4Confident80.5Confident19 Ų1974.2 Ų74.213%0.12840%0.397CS..G310 helixtrans-116.614.1-176.6-62.60000112.9V123 I146 H147 H148 D152V123-C150 HydrophobicContact CB-CB 4.15Å; V123-C150 HydrophobicContact CG1-CB 4.15Å; I146-C150 HydrophobicContact CB-CB 4.29Å; H147-C150 HydrophobicContact CB-CB 4.44Å; H147-C150 PolarHBondContact O-N 3.41Å; H148-C150 PolarHBondContact O-N 3.33Å; C150-D152 VanDerWaalsContact C-N 3.35Å
151T82.4Confident80.1Confident48 Ų4869.8 Ų69.829%0.29439%0.386SS..SBendtrans-60.6-44.2172.341.50000111.9L137 I146 H148 G153 L154L137-T151 HydrophobicContact CD1-CG2 3.33Å; I146-T151 HydrophobicContact CD1-CG2 4.28Å; H148-T151 PolarHBondContact O-OG1 3.5Å; T151-G153 PolarHBondContact O-N 3.48Å; T151-L154 WeakPolarHBondContact O-CB 3.39Å; T151-L154 PolarHBondContact O-N 3.42Å; T151-L154 VanDerWaalsContact O-N 3.09Å
152D77.1Confident79.5Confident128 Ų12876.9 Ų76.968%0.68441%0.409SS*.G310 helixtrans-80.1-27.5-161.5-47.1-23000111.2C150 L154 A155C150-D152 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 3.42Å; D152-A155 WeakPolarHBondContact O-CB 3.47Å; D152-A155 PolarHBondContact O-N 3.01Å; D152-A155 VanDerWaalsContact O-N 3.11Å
153G71Confident78.4Confident54 Ų5479.7 Ų79.756%0.55742%0.422SS*.G310 helixtrans-64.1-1167.900000114.9T151T151-G153 PolarHBondContact O-N 3.48Å
154L68.3Low77.2Confident17 Ų1778.9 Ų78.99%0.08943%0.428CS..G310 helixtrans-1075.3173.5-64.7174.6000113.9F110 V123 I146 T151 D152 S156 Q157F110-L154 HydrophobicContact CE2-CD1 3.51Å; F110-L154 HydrophobicContact CZ-CD1 3.38Å; V123-L154 HydrophobicContact CG2-CD1 4.02Å; V123-L154 HydrophobicContact CG2-CD2 3.58Å; V123-L154 HydrophobicContact CG2-CG 3.74Å; I146-L154 HydrophobicContact CD1-CD1 3.81Å; I146-L154 HydrophobicContact CG2-CD1 4.33Å; T151-L154 WeakPolarHBondContact O-CB 3.39Å; T151-L154 PolarHBondContact O-N 3.42Å; T151-L154 VanDerWaalsContact O-N 3.09Å; D152-L154 PolarHBondContact O-N 3.42Å; L154-S156 PolarHBondContact O-N 3.05Å; L154-S156 VanDerWaalsContact O-N 3.08Å; L154-Q157 HydrophobicContact CB-CB 4.41Å; L154-Q157 HydrophobicContact CD2-CB 3.88Å; L154-Q157 HydrophobicContact CD2-CG 3.83Å; L154-Q157 PolarHBondContact O-N 2.93Å
155A60.9Low75.5Confident102 Ų10287.4 Ų87.484%0.84346%0.464SS*.THydrogen-bonded Turntrans-55.5-29179.800000113.8D152D152-A155 WeakPolarHBondContact O-CB 3.47Å; D152-A155 PolarHBondContact O-N 3.01Å; D152-A155 VanDerWaalsContact O-N 3.11Å
156S61.1Low73.8Confident95 Ų9590.7 Ų90.766%0.66450%0.497SS*.THydrogen-bonded Turntrans-91.1-8.3175.663.10000114.8L154L154-S156 PolarHBondContact O-N 3.05Å; L154-S156 VanDerWaalsContact O-N 3.08Å
157Q70.8Confident72Confident105 Ų10598.1 Ų98.149%0.49153%0.53SS..  trans-99120.3-170.5-62.8-57.2-62.200112H108 L154H108-Q157 PolarHBondContact CD2-O 3.37Å; H108-Q157 VanDerWaalsContact CD2-O 3.29Å; L154-Q157 HydrophobicContact CB-CB 4.41Å; L154-Q157 HydrophobicContact CD2-CB 3.88Å; L154-Q157 HydrophobicContact CD2-CG 3.83Å; L154-Q157 PolarHBondContact O-N 2.93Å
158R80.8Confident70.3Confident182 Ų182102 Ų10269%0.68754%0.543SS*.  trans-84.5139.9177.4-64.3-178179.2-178.6-0110.9M160R158-M160 HydrophobicContact CB-CE 3.92Å; R158-M160 VanDerWaalsContact O-CE 3.27Å; R158-M160 WeakPolarHBondContact O-CE 3.23Å; R158-M160 PolarHBondContact O-N 2.94Å; R158-M160 VanDerWaalsContact O-N 3.14Å
159C82.6Confident68.6Low17 Ų17103.3 Ų103.312%0.11554%0.544CS..  trans-77.5104.9-173.8178.60000112.6K106 H108 G161K106-C159 VanDerWaalsContact O-CB 3.23Å; K106-C159 WeakPolarHBondContact O-CB 3.27Å; K106-C159 PolarHBondContact O-N 3.06Å; K106-C159 VanDerWaalsContact O-N 3.12Å; H108-C159 HydrophobicContact CB-CB 4.38Å; H108-C159 WeakPolarHBondContact NE2-CA 3.32Å; C159-G161 PolarHBondContact O-N 3.23Å
160M75.1Confident66.5Low119 Ų119102.6 Ų102.659%0.58654%0.538SS*.  trans-67.120.1-176.8-62.1-66.7101.900116.9R158 L163R158-M160 HydrophobicContact CB-CE 3.92Å; R158-M160 VanDerWaalsContact O-CE 3.27Å; R158-M160 WeakPolarHBondContact O-CE 3.23Å; R158-M160 PolarHBondContact O-N 2.94Å; R158-M160 VanDerWaalsContact O-N 3.14Å; M160-L163 HydrophobicContact CB-CD1 3.79Å; M160-L163 WeakPolarHBondContact O-CD1 3.5Å
161G79Confident64.6Low27 Ų27108.1 Ų108.128%0.27856%0.557SS.*  trans62.9-162.2174.700000115.1C142 C159 L163C142-G161 WeakPolarHBondContact CA-O 3.09Å; C142-G161 WeakPolarHBondContact CB-O 3.22Å; C159-G161 PolarHBondContact O-N 3.23Å; G161-L163 PolarHBondContact O-N 3.42Å; G161-L163 VanDerWaalsContact O-N 3.12Å
162K71.9Confident62.7Low189 Ų189109.6 Ų109.682%0.82257%0.569SS**SBendtrans-78.189.2179.8-67.3176.9-175.6170.80110.2
163L62.1Low60.7Low85 Ų85108.5 Ų108.545%0.44557%0.571SS.*  trans-57.8140.6173.1-93.978.8000111.5M160 G161 F167M160-L163 HydrophobicContact CB-CD1 3.79Å; M160-L163 WeakPolarHBondContact O-CD1 3.5Å; G161-L163 PolarHBondContact O-N 3.42Å; G161-L163 VanDerWaalsContact O-N 3.12Å; L163-F167 HydrophobicContact CD2-CB 4.4Å; L163-F167 WeakPolarHBondContact CD2-O 3.46Å
164P60.6Low59.1Low91 Ų91111.4 Ų111.459%0.59158%0.58SS**  trans-53.9143.2172.8-27.835.6000112.6G166 F167P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 3.17Å; P164-F167 PolarHBondContact O-N 3.03Å; P164-F167 VanDerWaalsContact O-N 3.17Å
165K51.6Low57.5Low228 Ų228117.6 Ų117.699%0.99161%0.613SS**THydrogen-bonded Turntrans-66.179.2-180-65.1-179.8-176.1174.20111.2
166G54.3Low56.6Low69 Ų69121 Ų12171%0.71162%0.616SS**THydrogen-bonded Turntrans167.7-26.7-177.500000113.1P164P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 3.17Å
167F52.8Low55.5Low157 Ų157122.3 Ų122.369%0.68961%0.614SS**  trans-103.935.1-179.1-78.1-86.5000113.9L163 P164 R169L163-F167 HydrophobicContact CD2-CB 4.4Å; L163-F167 WeakPolarHBondContact CD2-O 3.46Å; P164-F167 PolarHBondContact O-N 3.03Å; P164-F167 VanDerWaalsContact O-N 3.17Å; F167-R169 PolarHBondContact O-N 2.65Å
168R54.3Low54.1Low119 Ų119126.3 Ų126.345%0.44963%0.632SS.*  trans-64.8109.3164.6-108.6-165.8178.4-95.2-6.1108.1D122 K143 Y170D122-R168 IonicContact OD1-NH1 2.75Å; D122-R168 PolarHBondContact OD1-NH1 2.93Å; D122-R168 IonicContact OD2-NH1 2.72Å; K143-R168 PolarHBondContact O-NH2 3.47Å; R168-Y170 PolarHBondContact O-N 3Å
169R52.3Low52.3Low117 Ų117125.7 Ų125.744%0.44264%0.637SS.*  trans-61.7100.9162.3-69.4-167.6-170.4-1593107.5F167 Y171 I356F167-R169 PolarHBondContact O-N 2.65Å; R169-Y171 HydrophobicContact CB-CD2 4.36Å; R169-Y171 HydrophobicContact CB-CE2 4.2Å; R169-Y171 WeakPolarHBondContact CD-OH 3.3Å; R169-Y171 PolarHBondContact NH1-OH 2.99Å; R169-Y171 PolarHBondContact O-N 3.09Å; R169-I356 VanDerWaalsContact NH2-CG1 3.33Å
170Y40.8Very low50.3Low187 Ų187133.1 Ų133.173%0.73367%0.67SS**  trans-69.9111.5152.8-83.5-86.9000106.4R168 S172R168-Y170 PolarHBondContact O-N 3Å; Y170-S172 PolarHBondContact O-N 2.83Å
171Y46.3Very low48.5Very low135 Ų135137.6 Ų137.653%0.52969%0.687SS.*SBendtrans-75.644.8169.5-79.3-73000111N125 R169N125-Y171 PolarHBondContact ND2-O 2.81Å; R169-Y171 HydrophobicContact CB-CD2 4.36Å; R169-Y171 HydrophobicContact CB-CE2 4.2Å; R169-Y171 WeakPolarHBondContact CD-OH 3.3Å; R169-Y171 PolarHBondContact NH1-OH 2.99Å; R169-Y171 PolarHBondContact O-N 3.09Å
172S43.7Very low46.3Very low78 Ų78140.1 Ų140.155%0.54571%0.713SS.*  trans-135.647.6-178.4710000110.5Y170 P174Y170-S172 PolarHBondContact O-N 2.83Å; S172-P174 WeakPolarHBondContact O-CD 3.47Å
173S34.7Very low44.7Very low105 Ų105136.5 Ų136.573%0.73471%0.71SS**SBendtrans-70.5118.1137.8-63.90000105.7L175S173-L175 PolarHBondContact O-N 3.18Å
174P37.4Very low43.6Very low115 Ų115140.1 Ų140.175%0.74773%0.728SS**PPolyproline II helixtrans-58.2125.4170-20.132.7000108.1S172 L176S172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-L176 PolarHBondContact O-N 3.12Å
175L35.4Very low42.8Very low148 Ų148145.2 Ų145.278%0.77574%0.741SS**PPolyproline II helixtrans-63.3118163.1-64.8174.8000106S173 I177S173-L175 PolarHBondContact O-N 3.18Å; L175-I177 HydrophobicContact CB-CD1 4.21Å; L175-I177 HydrophobicContact CB-CG1 3.82Å; L175-I177 HydrophobicContact CD1-CD1 4.48Å; L175-I177 PolarHBondContact O-N 3.17Å
176L40.1Very low42.4Very low174 Ų174142.6 Ų142.691%0.91173%0.732SS**  trans-73.871.1169.4-74.4173.1000108.4P174 H178P174-L176 PolarHBondContact O-N 3.12Å; L176-H178 PolarHBondContact O-N 2.75Å; L176-H178 VanDerWaalsContact O-N 3.15Å
177I39.2Very low41.5Very low121 Ų121145.3 Ų145.362%0.62174%0.735SS**  trans-67.4108.9171.4-62.1175.4000106.5L175 E179L175-I177 HydrophobicContact CB-CD1 4.21Å; L175-I177 HydrophobicContact CB-CG1 3.82Å; L175-I177 HydrophobicContact CD1-CD1 4.48Å; L175-I177 PolarHBondContact O-N 3.17Å; I177-E179 HydrophobicContact CG2-CB 3.93Å; I177-E179 PolarHBondContact O-N 3.28Å
178H40.6Very low41Very low189 Ų189145.9 Ų145.988%0.87574%0.742SS**SBendtrans-74.471.5179.9172.878.8000110L176L176-H178 PolarHBondContact O-N 2.75Å; L176-H178 VanDerWaalsContact O-N 3.15Å
179E42.7Very low40.5Very low169 Ų169145 Ų14579%0.7975%0.752SS**  trans-151.316.5-174.7-142.8165.9-15400116.3I177I177-E179 HydrophobicContact CG2-CB 3.93Å; I177-E179 PolarHBondContact O-N 3.28Å
180Q40.7Very low40.1Very low173 Ų173146.8 Ų146.881%0.80877%0.768SS**SBendtrans-140.952.6173.8-151.3169.316.500115.7
181F37.4Very low39.7Very low214 Ų214142.5 Ų142.594%0.93977%0.771SS**  trans-131.843.7163.3-74.7-72.4000112.1
182G33.2Very low39.7Very low80 Ų80142.7 Ų142.783%0.82579%0.791SS**  trans-83.6-3.3-179.700000115.9
183C38.9Very low39.4Very low113 Ų113141.7 Ų141.776%0.76479%0.793SS**SBendtrans-141.636.6-162.349.90000115.8
184I37.8Very low40.3Very low160 Ų160145.2 Ų145.282%0.82180%0.804SS**  trans-131.192.3148.6-52179.6000108.1
185K43.8Very low41.1Very low199 Ų199149 Ų14987%0.86581%0.809SS**  trans-116.8150.6163-161.2178.2-174.6-176.90106
186E44.3Very low42.7Very low172 Ų172146.1 Ų146.180%0.80480%0.797SS**  trans73.2124.8-161.6-51.6173.9-167.500111
187V34.4Very low44.4Very low127 Ų127142.4 Ų142.477%0.7778%0.778SS**  cis-134.6137.74.8176.60000110.4
188M42.1Very low46.1Very low168 Ų168141.1 Ų141.183%0.82878%0.777SS**  trans-100.2142.2153.8-100.4-169.471.600108.3
189P44.2Very low48Very low102 Ų102136.7 Ų136.766%0.66276%0.763SS**  -143.5147.9104.236.2-21.7000115.9
190I44.4Very low49.6Very low153 Ų153135 Ų13579%0.78575%0.75SS**  trans37.7111134.9-47.8165.6000118.2
191A33.1Very low51.3Low97 Ų97131.4 Ų131.480%0.80273%0.734SS**  trans-162.3136.1139.700000111.7
192C46.1Very low53.2Low140 Ų140126.1 Ų126.195%0.94672%0.719SS**  trans-74.8139.4161.5-60.40000109.4
193G37.8Very low55.4Low57 Ų57127.9 Ų127.959%0.58871%0.709SS**  trans-178.6138.4174.300000113.8K195G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.16Å
194N52.7Low57.5Low178 Ų178129.6 Ų129.695%0.95270%0.699SS**  trans-72.975.9-178.9-67.3-32.2000111.5
195K53.6Low59.4Low196 Ų196127.9 Ų127.985%0.85269%0.686SS**  trans-113.296.6178.6-63.3-172.8-179.1-177.60109.4G193G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.16Å
196V69.1Low61.2Low87 Ų87120.4 Ų120.453%0.52767%0.665SS.*  trans-67145.5173171.60000109.2Y200V196-Y200 HydrophobicContact CG1-CD1 3.31Å; V196-Y200 HydrophobicContact CG1-CE1 4.06Å; V196-Y200 HydrophobicContact CG1-CG 3.95Å
197D75.4Confident62.6Low96 Ų96116.1 Ų116.151%0.51365%0.651SS.*  trans-57.3130.6178.7-173.4-55.1000111V199 Y200 E201D197-V199 PolarHBondContact O-N 3.38Å; D197-V199 VanDerWaalsContact O-N 3.12Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 VanDerWaalsContact OD1-CB 3.22Å; D197-V199 WeakPolarHBondContact OD1-CB 3.46Å; D197-V199 WeakPolarHBondContact OD1-CG2 3.08Å; D197-V199 PolarHBondContact OD1-N 3.25Å; D197-Y200 WeakPolarHBondContact O-CA 3.08Å; D197-Y200 WeakPolarHBondContact O-CB 3.2Å; D197-Y200 PolarHBondContact O-N 3.28Å; D197-E201 PolarHBondContact O-N 2.92Å
198P76.4Confident64.5Low94 Ų94112.8 Ų112.861%0.6163%0.633SS**Hα-helixtrans-54.7-29.6178.9-27.635.4000114.6T202P198-T202 VanDerWaalsContact O-CB 3.29Å; P198-T202 WeakPolarHBondContact O-CB 3.25Å; P198-T202 PolarHBondContact O-N 3.43Å; P198-T202 PolarHBondContact O-OG1 2.89Å
199V79.4Confident66Low95 Ų95109.2 Ų109.258%0.57662%0.617SS**Hα-helixtrans-70.2-42.9174.6-176.10000110.4D197 T202 L203D197-V199 PolarHBondContact O-N 3.38Å; D197-V199 VanDerWaalsContact O-N 3.12Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 VanDerWaalsContact OD1-CB 3.22Å; D197-V199 WeakPolarHBondContact OD1-CB 3.46Å; D197-V199 WeakPolarHBondContact OD1-CG2 3.08Å; D197-V199 PolarHBondContact OD1-N 3.25Å; V199-T202 PolarHBondContact O-N 2.85Å; V199-L203 HydrophobicContact CG1-CD1 4.11Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 VanDerWaalsContact O-CG 3.24Å; V199-L203 WeakPolarHBondContact O-CG 3.46Å; V199-L203 PolarHBondContact O-N 3.23Å
200Y77.3Confident67Low133 Ų133107.5 Ų107.552%0.52261%0.611SS.*Hα-helixtrans-65.8-42.4175.2-178.7-77.5000111.2V196 D197 L203 R204V196-Y200 HydrophobicContact CG1-CD1 3.31Å; V196-Y200 HydrophobicContact CG1-CE1 4.06Å; V196-Y200 HydrophobicContact CG1-CG 3.95Å; D197-Y200 WeakPolarHBondContact O-CA 3.08Å; D197-Y200 WeakPolarHBondContact O-CB 3.2Å; D197-Y200 PolarHBondContact O-N 3.28Å; Y200-L203 PolarHBondContact O-N 3.06Å; Y200-R204 HydrophobicContact CE1-CB 4.49Å; Y200-R204 VanDerWaalsContact O-CB 3.3Å; Y200-R204 WeakPolarHBondContact O-CB 3.35Å; Y200-R204 PolarHBondContact O-N 3.35Å
201E75.8Confident67.8Low99 Ų99107 Ų10746%0.46361%0.606SS.*Hα-helixtrans-60.8-48.2176-178.8162.8-139.900111.2D197 L203 R204 F205D197-E201 PolarHBondContact O-N 2.92Å; E201-L203 PolarHBondContact O-N 3Å; E201-R204 WeakPolarHBondContact O-CB 3.26Å; E201-R204 PolarHBondContact O-N 2.79Å; E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.74Å; E201-F205 WeakPolarHBondContact O-CD2 3.41Å; E201-F205 PolarHBondContact O-N 3.17Å
202T76.9Confident69.1Low102 Ų102109.6 Ų109.663%0.62660%0.595SS**Hα-helixtrans-57.7-45.7175.7-590000112.1P198 V199 R204 F205 G206P198-T202 VanDerWaalsContact O-CB 3.29Å; P198-T202 WeakPolarHBondContact O-CB 3.25Å; P198-T202 PolarHBondContact O-N 3.43Å; P198-T202 PolarHBondContact O-OG1 2.89Å; V199-T202 PolarHBondContact O-N 2.85Å; T202-R204 PolarHBondContact O-N 2.9Å; T202-F205 PolarHBondContact O-N 2.75Å; T202-G206 PolarHBondContact O-N 2.72Å
203L80.8Confident69.6Low117 Ų117108.4 Ų108.461%0.61358%0.583SS**Hα-helixtrans-63.6-39.7176.7-74.9168.7000112.4V199 Y200 E201 G206 T207V199-L203 HydrophobicContact CG1-CD1 4.11Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 VanDerWaalsContact O-CG 3.24Å; V199-L203 WeakPolarHBondContact O-CG 3.46Å; V199-L203 PolarHBondContact O-N 3.23Å; Y200-L203 PolarHBondContact O-N 3.06Å; E201-L203 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 2.98Å; L203-T207 PolarHBondContact O-N 3.38Å; L203-T207 PolarHBondContact O-OG1 3.39Å; L203-T207 VanDerWaalsContact O-OG1 3.06Å
204R82.4Confident70.3Confident150 Ų150115 Ų11557%0.56660%0.596SS**Hα-helixtrans-64.4-49177-174.2-177.6-177.5104.3-3.9111Y200 E201 T202 G206 T207 S208Y200-R204 HydrophobicContact CE1-CB 4.49Å; Y200-R204 VanDerWaalsContact O-CB 3.3Å; Y200-R204 WeakPolarHBondContact O-CB 3.35Å; Y200-R204 PolarHBondContact O-N 3.35Å; E201-R204 WeakPolarHBondContact O-CB 3.26Å; E201-R204 PolarHBondContact O-N 2.79Å; T202-R204 PolarHBondContact O-N 2.9Å; R204-G206 VanDerWaalsContact C-N 3.33Å; R204-G206 PolarHBondContact O-N 3.02Å; R204-T207 PolarHBondContact O-N 3.1Å; R204-T207 PolarHBondContact O-OG1 3.36Å; R204-S208 PolarHBondContact O-N 3.39Å; R204-S208 PolarHBondContact O-OG 3.24Å
205F76.8Confident70.3Confident124 Ų124116 Ų11654%0.54459%0.591SS.*Hα-helixtrans-59.8-42.6174.7-88-75.1000112.2E201 T202 T207 S208 L209E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.74Å; E201-F205 WeakPolarHBondContact O-CD2 3.41Å; E201-F205 PolarHBondContact O-N 3.17Å; T202-F205 PolarHBondContact O-N 2.75Å; F205-T207 PolarHBondContact O-N 3.13Å; F205-S208 CarbonylContact O-C 3.6Å; F205-S208 PolarHBondContact O-N 3.36Å; F205-L209 PolarHBondContact O-N 3.03Å
206G81.4Confident70Confident41 Ų41109.6 Ų109.642%0.42358%0.581SS.*Hα-helixtrans-58.2-46.7176.200000113.3T202 L203 R204 L209 A210T202-G206 PolarHBondContact O-N 2.72Å; L203-G206 PolarHBondContact O-N 2.98Å; R204-G206 VanDerWaalsContact C-N 3.33Å; R204-G206 PolarHBondContact O-N 3.02Å; G206-L209 PolarHBondContact O-N 2.99Å; G206-A210 PolarHBondContact O-N 3.04Å
207T75.4Confident68.8Low83 Ų83111.2 Ų111.251%0.50960%0.597SS.*Hα-helixtrans-66.2-37.5177470000112.6L203 R204 F205 L209 A210 Q211L203-T207 PolarHBondContact O-N 3.38Å; L203-T207 PolarHBondContact O-OG1 3.39Å; L203-T207 VanDerWaalsContact O-OG1 3.06Å; R204-T207 PolarHBondContact O-N 3.1Å; R204-T207 PolarHBondContact O-OG1 3.36Å; F205-T207 PolarHBondContact O-N 3.13Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.05Å; T207-A210 PolarHBondContact O-N 3.09Å; T207-Q211 WeakPolarHBondContact O-CG 3.39Å; T207-Q211 PolarHBondContact O-N 3.49Å; T207-Q211 VanDerWaalsContact O-N 3.16Å
208S74.1Confident67.2Low56 Ų56112.3 Ų112.339%0.39261%0.612SS.*Hα-helixtrans-71.6-16.1172.4-620000114.7R204 F205 R212R204-S208 PolarHBondContact O-N 3.39Å; R204-S208 PolarHBondContact O-OG 3.24Å; F205-S208 CarbonylContact O-C 3.6Å; F205-S208 PolarHBondContact O-N 3.36Å; S208-R212 PolarHBondContact O-NE 3.17Å; S208-R212 PolarHBondContact O-NH2 2.82Å
209L72.1Confident65.3Low94 Ų94111.3 Ų111.349%0.49262%0.619SS.*Hα-helixtrans-80.7-38.9165.8-108.289.4000112.1F205 G206 T207 Q211 R212 T213F205-L209 PolarHBondContact O-N 3.03Å; G206-L209 PolarHBondContact O-N 2.99Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.05Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.34Å; L209-R212 WeakPolarHBondContact O-CG 3.37Å; L209-T213 PolarHBondContact O-OG1 3.48Å
210A66.2Low63.2Low65 Ų65113.5 Ų113.554%0.53764%0.638SS.*Hα-helixtrans-69.9-22.7179.400000113.8G206 T207 T213G206-A210 PolarHBondContact O-N 3.04Å; T207-A210 PolarHBondContact O-N 3.09Å; A210-T213 PolarHBondContact O-OG1 3.05Å
211Q60.8Low61Low143 Ų143110.6 Ų110.667%0.66865%0.648SS**Hα-helixtrans-82.6-36.9177.7-72.9176-12.200113.2T207 L209 K214T207-Q211 WeakPolarHBondContact O-CG 3.39Å; T207-Q211 PolarHBondContact O-N 3.49Å; T207-Q211 VanDerWaalsContact O-N 3.16Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.34Å; Q211-K214 PolarHBondContact O-N 3.07Å
212R60.3Low59.3Low151 Ų151111.6 Ų111.657%0.5767%0.667SS**Hα-helixtrans-69.7-33.1-178.572.2-174.775.2163.9-0.5113.1S208 L209 K214 K215S208-R212 PolarHBondContact O-NE 3.17Å; S208-R212 PolarHBondContact O-NH2 2.82Å; L209-R212 WeakPolarHBondContact O-CG 3.37Å; R212-K214 PolarHBondContact O-N 3.15Å; R212-K215 PolarHBondContact O-N 2.73Å
213T57Low57.1Low115 Ų115113.6 Ų113.671%0.70667%0.673SS**THydrogen-bonded Turntrans-68.7-10177.849.90000113.6L209 A210L209-T213 PolarHBondContact O-OG1 3.48Å; A210-T213 PolarHBondContact O-OG1 3.05Å
214K53.4Low54.7Low195 Ų195112.6 Ų112.685%0.84868%0.676SS**THydrogen-bonded Turntrans-93.34.9177.2-130.4-179-175.6-174.40114.4Q211 R212Q211-K214 PolarHBondContact O-N 3.07Å; R212-K214 PolarHBondContact O-N 3.15Å
215K51.2Low53.2Low199 Ų199111 Ų11187%0.86569%0.685SS**SBendtrans-134.551-178.6-156.4-175.9-178.1-174.30112.5R212R212-K215 PolarHBondContact O-N 2.73Å
216G48.5Very low50.9Low62 Ų62113 Ų11364%0.63970%0.696SS**  trans-13212117200000110.5
217S42.3Very low48.6Very low122 Ų122120.5 Ų120.585%0.85371%0.712SS**SBendtrans65132.3-164.4-142.40000113.7
218S42Very low46.4Very low119 Ų119122.5 Ų122.583%0.83272%0.724SS**  cis-98.7172.5-0.7-56.90000112.2
219G36.3Very low44.4Very low73 Ų73125 Ų12575%0.75374%0.741SS**  trans-122.9-168.7-170.100000116.9
220S36.4Very low42.4Very low141 Ų141126.4 Ų126.499%0.98675%0.754SS**  trans78.4141.7-178.6-149.60000116.7
221G31.8Very low40.9Very low71 Ų71127.7 Ų127.773%0.73276%0.759SS**  trans119119.2-178.100000114
222S40.1Very low39.4Very low121 Ų121127.7 Ų127.785%0.84676%0.764SS**  trans-62.9166.9167.846.50000111.7
223D30.3Very low38.1Very low143 Ų143127.3 Ų127.377%0.76577%0.772SS**  cis-154.3178.527.5-168.228.6000113.4
224S29.6Very low36.7Very low97 Ų97127.6 Ų127.668%0.67877%0.774SS**  trans-165.7153.2170.5-75.60000111.8
225P51.4Low35.6Very low116 Ų116126.4 Ų126.475%0.75377%0.771SS**  cis-123.5-131.75.126.21.1000110.1
226H28.6Very low34.8Very low165 Ų165122.6 Ų122.676%0.76476%0.764SS**  cis-149.1-92.1-4.6-156.838.3000116.8
227R33.3Very low34.4Very low200 Ų200125.6 Ų125.676%0.75577%0.772SS**  trans-163.8166.8-148.4-89.9-72.6-175.1-133.23.9114.9
228T27.7Very low34Very low124 Ų124127.6 Ų127.676%0.76177%0.768SS**  trans64.2108151.941.40000120.9
229S32.7Very low33.6Very low109 Ų109129.4 Ų129.476%0.76276%0.764SS**  trans2.1130132168.70000118.9
230T31.3Very low33.4Very low123 Ų123129.1 Ų129.176%0.75575%0.754SS**  -167.2144.4112.225.90000112.4
231S33.3Very low33Very low93 Ų93130.1 Ų130.165%0.6575%0.748SS**  trans46.5150.9141.6-43.50000124.3
232D30.5Very low32.9Very low143 Ų143129.9 Ų129.977%0.76575%0.746SS**  trans69.6148.8150.2-52.8-33.1000120.1
233L31.4Very low33.2Very low143 Ų143130.8 Ų130.875%0.74975%0.749SS**  cis-166.7149.9-29.4-113.1-179.1000107.2
234V29.6Very low33.1Very low121 Ų121127.6 Ų127.673%0.73375%0.75SS**  trans66.8154.1166.7177.90000111.9
235E28.7Very low33.1Very low169 Ų169127.2 Ų127.279%0.7976%0.761SS**  cis-142.616321-152.8143.3-14500112.6
236V35.3Very low32.1Very low119 Ų119125.3 Ų125.372%0.72176%0.762SS**  trans-118.9133.9166.8173.90000108.2
237P39.4Very low32.5Very low126 Ų126127.8 Ų127.882%0.81877%0.766SS**  trans-114.2157.6141.1-8.728.5000112.9
238E34.7Very low32.5Very low164 Ų164124.9 Ų124.977%0.76677%0.766SS**  trans-128.8174.4-170.5-152.1176.6-179.300110.1
239E32.5Very low32.9Very low157 Ų157124 Ų12473%0.73476%0.756SS**  trans75.2123.9159-67.2-59.986.900124.6
240A32.9Very low33.1Very low67 Ų67128.6 Ų128.655%0.55476%0.757SS**  trans60.4125.3132.400000122.3
241N28.6Very low33.2Very low162 Ų162131.8 Ų131.887%0.86676%0.76SS**  179.515692.3-94.2-73.8000113
242G30Very low33.2Very low66 Ų66137.7 Ų137.768%0.6877%0.768SS**  trans-97.5-153.4164.700000111.6
243P45.2Very low33.4Very low140 Ų140134.9 Ų134.991%0.90976%0.759SS**  cis-136.9-169.30.443.4-26.3000114.4
244G29.2Very low33.6Very low76 Ų76135.4 Ų135.478%0.78476%0.763SS**  trans143.9105.2145.600000120.5
245G29.1Very low33.8Very low88 Ų88134.4 Ų134.491%0.90776%0.761SS**  trans79.6138.8149.800000119.5
246G30Very low33.9Very low76 Ų76132.2 Ų132.278%0.78476%0.759SS**  cis135.181.9-2200000117.6
247Y37Very low33.6Very low217 Ų217135.8 Ų135.885%0.85177%0.765SS**  trans-170.8118.6147.666.4-99.2000108.1
248D33.3Very low33.2Very low139 Ų139135.5 Ų135.574%0.74376%0.762SS**  84.7141.483.2-87.8-19.2000115.4
249L36.4Very low33.3Very low106 Ų106138.2 Ų138.256%0.55577%0.766SS**  cis-174.1143.8-7.8-174.250.7000114.1
250R36.8Very low33.9Very low206 Ų206136.7 Ų136.778%0.77777%0.77SS**  trans66.2157.5165.3-72.4155-161.1169.34.4115.7
251K34Very low33.9Very low190 Ų190141.9 Ų141.983%0.82678%0.783SS**  cis-158.7170.35.5-122.9168.8-177.7177.70106.7
252R31.8Very low34.1Very low217 Ų217141.4 Ų141.482%0.81978%0.78SS**  cis-155.11471.4177.3176.8-177.9-161.7-0.8110.7
253S36.2Very low34.1Very low83 Ų83141.5 Ų141.558%0.5878%0.781SS**  trans1.6133144.9-35.20000120
254N35.1Very low33.7Very low155 Ų155141.3 Ų141.383%0.82978%0.777SS**  67.3145.581.4-6521.2000114.7
255S34.2Very low33.8Very low99 Ų99144.9 Ų144.969%0.69278%0.779SS**  cis-178.9-171.7-3.746.90000110.9
256V29.3Very low34.1Very low123 Ų123147.3 Ų147.375%0.74577%0.771SS**  trans81.699.6155.1173.80000119
257F31Very low34.2Very low194 Ų194151.1 Ų151.185%0.85177%0.766SS**  54.7145.4111.1-118.8-90.7000123.8
258T30.6Very low34.1Very low121 Ų121151.3 Ų151.374%0.74277%0.765SS**  trans88.8130.8154.9-4.90000120.6
259Y37.3Very low34.1Very low221 Ų221150.9 Ų150.987%0.86776%0.763SS**  trans-76.1167.4158.4-93.6-103.5000111.1
260P44.4Very low34.4Very low124 Ų124151.7 Ų151.781%0.80578%0.775SS**  -131.6-172.1121.939.1-31.4000114
261E31.9Very low34.2Very low177 Ų177145.6 Ų145.683%0.82777%0.769SS**  trans-98.2156.9-161.5-102.6-178.586.300116.8
262N33.4Very low34.4Very low152 Ų152146.6 Ų146.681%0.81377%0.773SS**  trans51128.8132.9-155.110.4000121.4
263G29.2Very low34.3Very low68 Ų68143.2 Ų143.270%0.70177%0.771SS**  trans177.984.7176.800000116.5
264T37Very low34.3Very low135 Ų135147 Ų14783%0.82878%0.783SS**  trans3.8129.8155.256.20000122.1
265D32.7Very low34.3Very low152 Ų152144 Ų14481%0.81377%0.774SS**  -156.5171.4118.7-144.4-48.9000110.1
266D35.1Very low34.6Very low139 Ų139148 Ų14874%0.74378%0.781SS**  trans-107.1-146.8-171.8-165.6-94.6000112.2
267F31.8Very low34.9Very low155 Ų155151 Ų15168%0.6879%0.787SS**  trans8471.5170-61.4-83000119.6
268R34.1Very low35.1Very low221 Ų221145.2 Ų145.283%0.83478%0.782SS**  78.4106.5115.2-172.6175.7-62.7-127.3-0.7119.9
269D34.7Very low35.4Very low131 Ų131145.3 Ų145.370%0.70179%0.788SS**  trans-45.9151.7155.7-123.5-62.9000114.4A271D269-A271 PolarHBondContact OD1-N 2.82Å
270P42.3Very low35.7Very low123 Ų123142.2 Ų142.280%0.79979%0.786SS**  -147.5116.189.236.2-17.8000117.4
271A33.1Very low35.7Very low78 Ų78142.1 Ų142.165%0.64579%0.788SS**  40.4116.112500000119.7D269D269-A271 PolarHBondContact OD1-N 2.82Å
272K36.5Very low36.1Very low210 Ų210140.4 Ų140.491%0.91378%0.778SS**  trans-131.3124.1145.5-77.7-172.3177.7176.50110.9
273N29.8Very low36.6Very low147 Ų147137.4 Ų137.479%0.78676%0.762SS**  trans-69.1134.3177.8-71.6-65.4000111.9
274I36.3Very low37.7Very low161 Ų161138.6 Ų138.683%0.82676%0.757SS**  trans-126.9108.2142.5-64.1-176.5000107.1
275S36.1Very low38.4Very low92 Ų92137.7 Ų137.764%0.64375%0.747SS**  trans-83.7118.7-177.9-48.10000110.7
276H39Very low39.4Very low183 Ų183134.8 Ų134.885%0.84773%0.728SS**  trans-127.2129.9153.1-86.9-74.8000109.9
277Q35.9Very low40.7Very low187 Ų187132 Ų13287%0.87471%0.712SS**  trans-88.1143.8-161.7-65.7165.3-32.900112.4S279Q277-S279 PolarHBondContact O-N 2.82Å
278G35.9Very low43.4Very low72 Ų72127.4 Ų127.474%0.74269%0.694SS**  trans46.272.5140.400000118.1L280G278-L280 PolarHBondContact O-N 2.82Å; G278-L280 VanDerWaalsContact O-N 3.1Å
279S37.7Very low46.3Very low124 Ų124118.3 Ų118.387%0.86766%0.663SS**  trans-69.2101149.7-173.70000107.9Q277Q277-S279 PolarHBondContact O-N 2.82Å
280L42.1Very low49.2Very low155 Ų155113.2 Ų113.281%0.81264%0.635SS**  trans-55.7139.9173.2-71.6171.3000109.8G278 K282G278-L280 PolarHBondContact O-N 2.82Å; G278-L280 VanDerWaalsContact O-N 3.1Å; L280-K282 PolarHBondContact O-N 2.94Å
281S43.8Very low51.8Low122 Ų122107.4 Ų107.485%0.85360%0.597SS**  trans-64.490-179.453.90000111.2D283S281-D283 PolarHBondContact O-N 2.85Å
282K42.1Very low54.9Low142 Ų142103.7 Ų103.762%0.61757%0.566SS**  trans-67.5121.4161.6-83.5-169.9168.8-170.80108.2L280 M287L280-K282 PolarHBondContact O-N 2.94Å; K282-M287 HydrophobicContact CB-CE 4.13Å
283D44.1Very low57.7Low88 Ų8894 Ų9447%0.47152%0.524SS..  trans-56.3120.3173.2-171.5-29.7000109.5S281 L285 Q286S281-D283 PolarHBondContact O-N 2.85Å; D283-L285 PolarHBondContact O-N 3.1Å; D283-L285 VanDerWaalsContact O-N 3.13Å; D283-L285 VanDerWaalsContact OD1-CB 3.22Å; D283-L285 WeakPolarHBondContact OD1-CB 3.34Å; D283-L285 WeakPolarHBondContact OD1-CG 3.08Å; D283-L285 PolarHBondContact OD1-N 2.94Å; D283-Q286 PolarHBondContact O-N 2.69Å
284P51.9Low60.9Low94 Ų9492 Ų9261%0.6151%0.506SS*.THydrogen-bonded Turntrans-62.3-17.7-178.826.2-34.9000113Q286 M287P284-Q286 VanDerWaalsContact C-N 3.35Å; P284-Q286 PolarHBondContact O-N 2.89Å; P284-M287 WeakPolarHBondContact O-CG 3.34Å
285L51.1Low63.7Low115 Ų11591.6 Ų91.660%0.60250%0.499SS*.THydrogen-bonded Turntrans-66.6-34.5177.2-59.9172.8000112.5D283 M287 N288 T289D283-L285 PolarHBondContact O-N 3.1Å; D283-L285 VanDerWaalsContact O-N 3.13Å; D283-L285 VanDerWaalsContact OD1-CB 3.22Å; D283-L285 WeakPolarHBondContact OD1-CB 3.34Å; D283-L285 WeakPolarHBondContact OD1-CG 3.08Å; D283-L285 PolarHBondContact OD1-N 2.94Å; L285-M287 PolarHBondContact O-N 2.86Å; L285-N288 PolarHBondContact O-N 2.93Å; L285-T289 PolarHBondContact O-OG1 2.89Å
286Q54.5Low66.6Low91 Ų9188 Ų8843%0.42547%0.472SS..G310 helixtrans-76.1-21-170.4-166.4169.451.600113.8D283 P284 N288 T289 Q344D283-Q286 PolarHBondContact O-N 2.69Å; P284-Q286 VanDerWaalsContact C-N 3.35Å; P284-Q286 PolarHBondContact O-N 2.89Å; Q286-N288 VanDerWaalsContact C-N 3.29Å; Q286-T289 PolarHBondContact O-OG1 2.9Å; Q286-Q344 VanDerWaalsContact OE1-CD 3.27Å
287M62.4Low69.3Low81 Ų8183.8 Ų83.840%0.39946%0.458SS..G310 helixtrans-82-7.7176.956.2-163.175.100113.7K282 P284 L285 R341K282-M287 HydrophobicContact CB-CE 4.13Å; P284-M287 WeakPolarHBondContact O-CG 3.34Å; L285-M287 PolarHBondContact O-N 2.86Å; M287-R341 PolarHBondContact O-NE 2.96Å; M287-R341 PolarHBondContact O-NH2 3.38Å
288N88.8Confident72.1Confident58 Ų5877.5 Ų77.531%0.3143%0.433SS..G310 helixtrans-106.313.7179.6-80.940.4000113.3L285 Q286 Y290 L314L285-N288 PolarHBondContact O-N 2.93Å; Q286-N288 VanDerWaalsContact C-N 3.29Å; N288-Y290 WeakPolarHBondContact O-CD2 3.34Å; N288-L314 HydrophobicContact CB-CB 4.24Å; N288-L314 PolarHBondContact ND2-O 2.84Å; N288-L314 VanDerWaalsContact ND2-O 3.11Å; N288-L314 WeakPolarHBondContact O-CB 3.3Å; N288-L314 PolarHBondContact O-N 2.85Å
289T94.3Very high74.9Confident31 Ų3182.5 Ų82.519%0.1944%0.437CS..EExtended strand (participates in β ladder)trans-92.9134.5-179.2-37.30000112.5L285 Q286 I311 L342L285-T289 PolarHBondContact O-OG1 2.89Å; Q286-T289 PolarHBondContact O-OG1 2.9Å; T289-I311 HydrophobicContact CG2-CG2 3.45Å; T289-I311 VanDerWaalsContact CG2-CG2 3.45Å; T289-L342 HydrophobicContact CG2-CD1 4.11Å; T289-L342 PolarHBondContact O-N 3.42Å
290Y96Very high77.5Confident24 Ų2479.8 Ų79.89%0.09441%0.411CS..EExtended strand (participates in β ladder)trans-134.2160.3-177.8-69.8-109.4000110.5N288 I311 I312 L314 W323 V339 Q340 R341N288-Y290 WeakPolarHBondContact O-CD2 3.34Å; Y290-I311 CarbonylContact O-C 3.5Å; Y290-I311 WeakPolarHBondContact O-CA 3.46Å; Y290-I312 PolarHBondContact N-O 2.93Å; Y290-I312 PolarHBondContact O-N 2.62Å; Y290-L314 HydrophobicContact CD2-CB 3.96Å; Y290-L314 HydrophobicContact CD2-CD2 4.32Å; Y290-L314 HydrophobicContact CE2-CB 3.85Å; Y290-L314 HydrophobicContact CE2-CD2 3.48Å; Y290-L314 VanDerWaalsContact CE2-CD2 3.48Å; Y290-L314 HydrophobicContact CE2-CG 4.3Å; Y290-W323 HydrophobicContact CD1-CZ3 4.09Å; Y290-W323 HydrophobicContact CE1-CH2 4.07Å; Y290-W323 AromaticContact CE1-CZ3 3.53Å; Y290-W323 HydrophobicContact CE1-CZ3 3.53Å; Y290-V339 HydrophobicContact CD1-CB 4.22Å; Y290-V339 HydrophobicContact CD1-CG2 3.61Å; Y290-V339 HydrophobicContact CE1-CG2 4.35Å; Y290-V339 HydrophobicContact CG-CG2 4.25Å; Y290-Q340 CarbonylContact C-O 3.49Å; Y290-Q340 VanDerWaalsContact CA-O 3.25Å; Y290-Q340 WeakPolarHBondContact CA-O 3.34Å; Y290-R341 VanDerWaalsContact CD1-CA 3.4Å; Y290-R341 HydrophobicContact CD1-CB 3.89Å; Y290-R341 HydrophobicContact CD1-CG 4.35Å; Y290-R341 HydrophobicContact CE1-CB 3.53Å; Y290-R341 HydrophobicContact CE1-CG 3.86Å; Y290-R341 HydrophobicContact CE2-CG 4.15Å
291V96.6Very high79.9Confident0 Ų081.3 Ų81.30%042%0.42CS..EExtended strand (participates in β ladder)trans-119.3138.8169.863.50000111.2L293 D310 V339 Q340 L342 I348 I371 V373V291-L293 PolarHBondContact O-N 3.2Å; V291-D310 CarbonylContact C-O 3.56Å; V291-D310 WeakPolarHBondContact CA-O 3.29Å; V291-V339 CarbonylContact O-C 3.59Å; V291-V339 VanDerWaalsContact O-CA 3.28Å; V291-V339 WeakPolarHBondContact O-CA 3.31Å; V291-Q340 HydrophobicContact CG1-CB 3.92Å; V291-Q340 HydrophobicContact CG1-CG 4.39Å; V291-Q340 PolarHBondContact N-O 3.11Å; V291-Q340 PolarHBondContact O-N 3.28Å; V291-L342 HydrophobicContact CB-CD1 4.18Å; V291-L342 HydrophobicContact CB-CD2 4.3Å; V291-L342 HydrophobicContact CB-CG 4.28Å; V291-L342 HydrophobicContact CG1-CD2 3.91Å; V291-L342 HydrophobicContact CG1-CG 4.22Å; V291-I348 HydrophobicContact CB-CD1 4.23Å; V291-I348 HydrophobicContact CG2-CD1 4.11Å; V291-I348 HydrophobicContact CG2-CG2 3.93Å; V291-I371 HydrophobicContact CG2-CG2 4.16Å; V291-V373 HydrophobicContact CG1-CG1 3.71Å
292A97.4Very high82.3Confident0 Ų079.2 Ų79.20%040%0.397CS..EExtended strand (participates in β ladder)trans-70.9123.7173.600000111.4M306 R307 P308 G309 D310 I312A292-M306 HydrophobicContact CB-CB 4.09Å; A292-M306 HydrophobicContact CB-SD 4.36Å; A292-R307 VanDerWaalsContact CB-O 3.24Å; A292-R307 WeakPolarHBondContact CB-O 3.41Å; A292-P308 WeakPolarHBondContact O-CA 3.44Å; A292-G309 PolarHBondContact O-N 3.28Å; A292-D310 HydrophobicContact CB-CB 4.34Å; A292-D310 PolarHBondContact N-O 2.84Å; A292-I312 HydrophobicContact CB-CD1 4.05Å; A292-I312 VanDerWaalsContact N-CD1 3.35Å
293L96.6Very high84.9Confident7 Ų773.2 Ų73.24%0.03737%0.372CS..SBendtrans-85-24.3174.9-64.1178.3000113V291 F338 Q340 I371V291-L293 PolarHBondContact O-N 3.2Å; L293-F338 WeakPolarHBondContact CB-O 3.42Å; L293-F338 PolarHBondContact N-O 2.98Å; L293-Q340 HydrophobicContact CD1-CB 4.03Å; L293-Q340 HydrophobicContact CD2-CB 3.75Å; L293-Q340 HydrophobicContact CG-CB 3.84Å; L293-I371 HydrophobicContact CD2-CB 4.13Å; L293-I371 HydrophobicContact CD2-CG2 4.28Å
294Y95.6Very high87.3Confident106 Ų10669.2 Ų69.242%0.41635%0.35SS..SBendtrans-139155.4-175.1-51.3-74.6000110.5F338Y294-F338 HydrophobicContact CD2-CB 4.42Å; Y294-F338 HydrophobicContact CD2-CD1 4.27Å; Y294-F338 HydrophobicContact CD2-CG 4.19Å
295K96.4Very high89.5Confident152 Ų15267 Ų6766%0.66133%0.332SS*.  trans-68.4138.4170.869.5178.7-173.9173.20110.8M306 P308 F338K295-M306 CarbonylContact C-O 3.49Å; K295-M306 VanDerWaalsContact CA-O 3.27Å; K295-M306 WeakPolarHBondContact CA-O 3.27Å; K295-P308 HydrophobicContact CB-CG 4.45Å; K295-F338 WeakPolarHBondContact O-CE2 3.44Å
296F96.6Very high91.7Very high17 Ų1761.6 Ų61.68%0.07530%0.303CS..BIsolated β-bridgetrans-125125.9167.1179.1-127000108.6D303 L304 M306 W322 F334 P335 F338F296-D303 HydrophobicContact CE1-CB 3.89Å; F296-D303 HydrophobicContact CZ-CB 4.1Å; F296-L304 VanDerWaalsContact CD1-O 3.22Å; F296-L304 WeakPolarHBondContact CD1-O 3.41Å; F296-M306 HydrophobicContact CB-CB 4.15Å; F296-M306 HydrophobicContact CB-CE 3.77Å; F296-M306 HydrophobicContact CB-CG 4.34Å; F296-M306 HydrophobicContact CD1-CE 4.49Å; F296-M306 HydrophobicContact CG-CE 4.47Å; F296-M306 PolarHBondContact N-O 2.99Å; F296-M306 PolarHBondContact O-N 3.44Å; F296-W322 HydrophobicContact CE1-CZ3 4.03Å; F296-W322 HydrophobicContact CE2-CH2 4.18Å; F296-W322 HydrophobicContact CE2-CZ3 4.41Å; F296-W322 AromaticContact CZ-CH2 3.73Å; F296-W322 HydrophobicContact CZ-CH2 3.73Å; F296-W322 AromaticContact CZ-CZ3 3.65Å; F296-W322 HydrophobicContact CZ-CZ3 3.65Å; F296-F334 HydrophobicContact CD1-CB 4.17Å; F296-F334 HydrophobicContact CE1-CB 4.46Å; F296-P335 HydrophobicContact CD2-CG 4.15Å; F296-P335 HydrophobicContact CE2-CG 4.22Å; F296-P335 HydrophobicContact CG-CG 4.41Å; F296-F338 HydrophobicContact CB-CD2 4.04Å; F296-F338 HydrophobicContact CB-CE2 4.32Å
297V96.2Very high93.7Very high94 Ų9464.2 Ų64.257%0.5731%0.309SS*.  trans-105.6125.3179-1790000107
298P95Very high95.3Very high54 Ų5463 Ų6335%0.35131%0.307SS..  trans-50.8142.6177.7-32.739.5000113.5D303 E305P298-D303 HydrophobicContact CB-CB 3.79Å; P298-D303 HydrophobicContact CG-CB 4.3Å; P298-E305 HydrophobicContact CG-CB 3.82Å
299Q93.8Very high95.6Very high177 Ų17760.9 Ų60.983%0.82730%0.3SS*.SBendtrans-118.9-31.9169.4-61.8-174.316.800111.3D303Q299-D303 PolarHBondContact N-OD2 3.46Å
300E93.1Very high95.7Very high68 Ų6861.4 Ų61.432%0.31830%0.301SS..SBendtrans-113.6154.2174.2-60.6-178.2147.100109.8R43 E302 D303R43-E300 IonicContact CZ-OE2 3.86Å; R43-E300 IonicContact NE-OE2 3.51Å; R43-E300 IonicContact NH1-OE2 3.2Å; R43-E300 PolarHBondContact NH1-OE2 3.03Å; E300-E302 HydrophobicContact CB-CG 4.33Å; E300-E302 PolarHBondContact O-N 3.25Å; E300-D303 PolarHBondContact N-OD2 2.99Å; E300-D303 WeakPolarHBondContact O-CB 3.24Å; E300-D303 PolarHBondContact O-N 3.17Å
301N92.4Very high95.7Very high186 Ų18664.6 Ų64.6100%0.99532%0.319SS*.THydrogen-bonded Turntrans-63.6-15.9-175.8-66.8-27.6000114
302E93.6Very high95.7Very high79 Ų7964.6 Ų64.637%0.36932%0.319SS..THydrogen-bonded Turntrans-93.41176.161.6176.7179.600113.5R43 E300 G332 F333R43-E302 IonicContact NH1-OE1 2.64Å; R43-E302 PolarHBondContact NH1-OE1 3.47Å; E300-E302 HydrophobicContact CB-CG 4.33Å; E300-E302 PolarHBondContact O-N 3.25Å; E302-G332 CarbonylContact O-C 3.57Å; E302-G332 WeakPolarHBondContact O-CA 3.35Å; E302-F333 HydrophobicContact CB-CD2 4.05Å; E302-F333 HydrophobicContact CB-CE2 4.39Å; E302-F333 HydrophobicContact CG-CD2 3.95Å; E302-F333 HydrophobicContact CG-CE2 4.42Å; E302-F333 PolarHBondContact O-N 2.89Å; E302-F333 WeakPolarHBondContact OE2-CE2 3.34Å
303D95.6Very high95.6Very high16 Ų1667.3 Ų67.39%0.08634%0.336CS..BIsolated β-bridgetrans-81.4137.8177.4-71.9-24.1000112.5R43 F296 P298 Q299 E300 F333R43-D303 IonicContact CZ-OD1 3.26Å; R43-D303 IonicContact NH1-OD1 2.69Å; R43-D303 PolarHBondContact NH1-OD1 3.32Å; R43-D303 IonicContact NH2-OD1 3.52Å; R43-D303 PolarHBondContact NH2-OD1 2.71Å; F296-D303 HydrophobicContact CE1-CB 3.89Å; F296-D303 HydrophobicContact CZ-CB 4.1Å; P298-D303 HydrophobicContact CB-CB 3.79Å; P298-D303 HydrophobicContact CG-CB 4.3Å; Q299-D303 PolarHBondContact N-OD2 3.46Å; E300-D303 PolarHBondContact N-OD2 2.99Å; E300-D303 WeakPolarHBondContact O-CB 3.24Å; E300-D303 PolarHBondContact O-N 3.17Å; D303-F333 WeakPolarHBondContact CA-O 3.27Å
304L96.2Very high95.5Very high4 Ų467.3 Ų67.32%0.02134%0.336CS..  trans-88.6115.4177.9-17561.8000110.9F296 M306 I312 I327 R330 F333 F334F296-L304 VanDerWaalsContact CD1-O 3.22Å; F296-L304 WeakPolarHBondContact CD1-O 3.41Å; L304-M306 PolarHBondContact O-N 2.9Å; L304-I312 HydrophobicContact CD2-CG2 4.32Å; L304-I327 HydrophobicContact CD1-CB 4.34Å; L304-I327 HydrophobicContact CD1-CD1 4.39Å; L304-I327 HydrophobicContact CD2-CD1 3.81Å; L304-I327 HydrophobicContact CD2-CG1 3.93Å; L304-I327 HydrophobicContact CG-CD1 3.92Å; L304-I327 HydrophobicContact CG-CG1 4.38Å; L304-R330 HydrophobicContact CD1-CB 3.76Å; L304-R330 WeakPolarHBondContact CD1-O 3.32Å; L304-F333 PolarHBondContact N-O 2.74Å; L304-F334 HydrophobicContact CD2-CD1 4.01Å
305E96.7Very high95.5Very high48 Ų4866.3 Ų66.322%0.22434%0.337CS..  trans-62.6126.7171.8-170.7-152173.900110.2P298 R307 R330P298-E305 HydrophobicContact CG-CB 3.82Å; E305-R307 IonicContact OE1-CZ 3.41Å; E305-R307 IonicContact OE1-NE 2.65Å; E305-R307 PolarHBondContact OE1-NE 2.96Å; E305-R307 IonicContact OE1-NH2 3.61Å; E305-R307 PolarHBondContact OE1-NH2 2.85Å; E305-R307 IonicContact OE2-NH2 3.69Å; E305-R330 PolarHBondContact O-NH2 3.46Å; E305-R330 IonicContact OE2-CZ 3.77Å; E305-R330 IonicContact OE2-NH1 3.91Å; E305-R330 PolarHBondContact OE2-NH1 2.87Å; E305-R330 IonicContact OE2-NH2 3.63Å; E305-R330 PolarHBondContact OE2-NH2 2.82Å
306M97.1Very high95.3Very high1 Ų163.1 Ų63.11%0.00532%0.324CS..BIsolated β-bridgetrans-125.1144175.9-50.1-166.7-62.200111.4A292 K295 F296 L304 I312 I327 F334 F338 V339A292-M306 HydrophobicContact CB-CB 4.09Å; A292-M306 HydrophobicContact CB-SD 4.36Å; K295-M306 CarbonylContact C-O 3.49Å; K295-M306 VanDerWaalsContact CA-O 3.27Å; K295-M306 WeakPolarHBondContact CA-O 3.27Å; F296-M306 HydrophobicContact CB-CB 4.15Å; F296-M306 HydrophobicContact CB-CE 3.77Å; F296-M306 HydrophobicContact CB-CG 4.34Å; F296-M306 HydrophobicContact CD1-CE 4.49Å; F296-M306 HydrophobicContact CG-CE 4.47Å; F296-M306 PolarHBondContact N-O 2.99Å; F296-M306 PolarHBondContact O-N 3.44Å; L304-M306 PolarHBondContact O-N 2.9Å; M306-I312 HydrophobicContact SD-CD1 4.39Å; M306-I312 HydrophobicContact SD-CG1 4.24Å; M306-I327 HydrophobicContact CB-CD1 4.37Å; M306-I327 HydrophobicContact CG-CD1 3.84Å; M306-F334 HydrophobicContact CE-CB 3.77Å; M306-F334 HydrophobicContact CE-CD2 3.98Å; M306-F334 HydrophobicContact CE-CG 4.18Å; M306-F334 HydrophobicContact CG-CB 4.36Å; M306-F334 HydrophobicContact SD-CB 3.62Å; M306-F334 HydrophobicContact SD-CD1 4.45Å; M306-F334 HydrophobicContact SD-CD2 3.76Å; M306-F334 HydrophobicContact SD-CG 3.68Å; M306-F338 HydrophobicContact CE-CB 3.76Å; M306-F338 HydrophobicContact CE-CD2 4.38Å; M306-V339 HydrophobicContact CE-CG1 4.19Å; M306-V339 HydrophobicContact SD-CG1 4.02Å
307R96.7Very high95Very high145 Ų14567 Ų6755%0.54735%0.346SS..  trans-120.8150.3173.5-57.2-178.3176-159.4-0.6109.4A292 E305 G309 D310A292-R307 VanDerWaalsContact CB-O 3.24Å; A292-R307 WeakPolarHBondContact CB-O 3.41Å; E305-R307 IonicContact OE1-CZ 3.41Å; E305-R307 IonicContact OE1-NE 2.65Å; E305-R307 PolarHBondContact OE1-NE 2.96Å; E305-R307 IonicContact OE1-NH2 3.61Å; E305-R307 PolarHBondContact OE1-NH2 2.85Å; E305-R307 IonicContact OE2-NH2 3.69Å; R307-G309 PolarHBondContact O-N 3.3Å; R307-G309 VanDerWaalsContact O-N 3.1Å; R307-D310 PolarHBondContact N-OD2 2.85Å; R307-D310 WeakPolarHBondContact O-CB 3.37Å; R307-D310 PolarHBondContact O-N 3.04Å
308P96.4Very high94.4Very high55 Ų5568.1 Ų68.136%0.35736%0.358SS..THydrogen-bonded Turntrans-62.2118.4-179.6-14.728.1000109.7A292 K295 I371A292-P308 WeakPolarHBondContact O-CA 3.44Å; K295-P308 HydrophobicContact CB-CG 4.45Å; P308-I371 HydrophobicContact CB-CD1 4Å; P308-I371 HydrophobicContact CB-CG1 3.54Å
309G95.7Very high94.1Very high15 Ų1568.6 Ų68.616%0.15536%0.358CS..THydrogen-bonded Turntrans109.4-16.6-174.200000114.7A292 R307 I311A292-G309 PolarHBondContact O-N 3.28Å; R307-G309 PolarHBondContact O-N 3.3Å; R307-G309 VanDerWaalsContact O-N 3.1Å; G309-I311 PolarHBondContact O-N 2.89Å
310D96.6Very high93.8Very high41 Ų4168.7 Ų68.722%0.21936%0.358CS..  trans-61.2135.4177.2-69.9-7.6000110.9V291 A292 R307 I312 I327V291-D310 CarbonylContact C-O 3.56Å; V291-D310 WeakPolarHBondContact CA-O 3.29Å; A292-D310 HydrophobicContact CB-CB 4.34Å; A292-D310 PolarHBondContact N-O 2.84Å; R307-D310 PolarHBondContact N-OD2 2.85Å; R307-D310 WeakPolarHBondContact O-CB 3.37Å; R307-D310 PolarHBondContact O-N 3.04Å; D310-I312 VanDerWaalsContact O-CD1 3.32Å; D310-I312 WeakPolarHBondContact O-CD1 3.48Å; D310-I327 HydrophobicContact CB-CD1 4.12Å
311I95.4Very high93.8Very high91 Ų9169.5 Ų69.547%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-91.3126.8175.4-58.3177.9000109.2T289 Y290 G309 I348T289-I311 HydrophobicContact CG2-CG2 3.45Å; T289-I311 VanDerWaalsContact CG2-CG2 3.45Å; Y290-I311 CarbonylContact O-C 3.5Å; Y290-I311 WeakPolarHBondContact O-CA 3.46Å; G309-I311 PolarHBondContact O-N 2.89Å; I311-I348 HydrophobicContact CD1-CD1 3.93Å; I311-I348 HydrophobicContact CG1-CD1 3.93Å
312I96.3Very high93.9Very high0 Ų062.3 Ų62.30%032%0.323CS..EExtended strand (participates in β ladder)trans-115130.5-177.9-43.792.3000109.7Y290 A292 L304 M306 D310 I327 F334 V339Y290-I312 PolarHBondContact N-O 2.93Å; Y290-I312 PolarHBondContact O-N 2.62Å; A292-I312 HydrophobicContact CB-CD1 4.05Å; A292-I312 VanDerWaalsContact N-CD1 3.35Å; L304-I312 HydrophobicContact CD2-CG2 4.32Å; M306-I312 HydrophobicContact SD-CD1 4.39Å; M306-I312 HydrophobicContact SD-CG1 4.24Å; D310-I312 VanDerWaalsContact O-CD1 3.32Å; D310-I312 WeakPolarHBondContact O-CD1 3.48Å; I312-I327 HydrophobicContact CB-CG1 4.17Å; I312-I327 HydrophobicContact CG1-CD1 3.72Å; I312-I327 HydrophobicContact CG1-CG1 3.7Å; I312-I327 HydrophobicContact CG2-CG1 4.14Å; I312-F334 HydrophobicContact CG2-CE1 3.87Å; I312-F334 HydrophobicContact CG2-CZ 4.12Å; I312-V339 HydrophobicContact CD1-CG1 3.72Å
313T95.8Very high94Very high57 Ų5760.8 Ų60.835%0.3532%0.315SS..EExtended strand (participates in β ladder)trans-89.3117.9163.6-56.40000109G325 K326T313-G325 CarbonylContact O-C 3.58Å; T313-G325 WeakPolarHBondContact O-CA 3.47Å; T313-K326 PolarHBondContact N-O 2.92Å; T313-K326 PolarHBondContact O-N 2.91Å
314L95.5Very high94Very high8 Ų862.6 Ų62.64%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-74.3123.3178.8-179.563.5000110.8N288 Y290 D317 W323 F334N288-L314 HydrophobicContact CB-CB 4.24Å; N288-L314 PolarHBondContact ND2-O 2.84Å; N288-L314 VanDerWaalsContact ND2-O 3.11Å; N288-L314 WeakPolarHBondContact O-CB 3.3Å; N288-L314 PolarHBondContact O-N 2.85Å; Y290-L314 HydrophobicContact CD2-CB 3.96Å; Y290-L314 HydrophobicContact CD2-CD2 4.32Å; Y290-L314 HydrophobicContact CE2-CB 3.85Å; Y290-L314 HydrophobicContact CE2-CD2 3.48Å; Y290-L314 VanDerWaalsContact CE2-CD2 3.48Å; Y290-L314 HydrophobicContact CE2-CG 4.3Å; L314-D317 HydrophobicContact CD1-CB 4.25Å; L314-D317 HydrophobicContact CD2-CB 4.1Å; L314-D317 HydrophobicContact CG-CB 4.43Å; L314-W323 HydrophobicContact CD1-CB 3.73Å; L314-W323 HydrophobicContact CD1-CD2 4Å; L314-W323 HydrophobicContact CD1-CE3 3.96Å; L314-W323 HydrophobicContact CD1-CG 3.95Å; L314-W323 HydrophobicContact CD2-CE3 4.46Å; L314-F334 HydrophobicContact CD1-CZ 4.32Å
315L93.8Very high94Very high84 Ų8462.4 Ų62.444%0.4432%0.32SS..EExtended strand (participates in β ladder)trans-104.3-47.2-178.3-62.5178.6000112.6K324 K326 I331L315-K324 PolarHBondContact N-O 3.5Å; L315-K326 HydrophobicContact CD1-CB 4.18Å; L315-I331 HydrophobicContact CD1-CD1 4.31Å; L315-I331 HydrophobicContact CD1-CG1 4.4Å; L315-I331 HydrophobicContact CD1-CG2 3.88Å
316E92.5Very high94Very high85 Ų8563.6 Ų63.640%0.39733%0.325SS..EExtended strand (participates in β ladder)trans-138.7125.3-180-60162.5-149.300109.5K324E316-K324 HydrophobicContact CB-CB 3.91Å; E316-K324 HydrophobicContact CB-CD 4.34Å; E316-K324 HydrophobicContact CG-CB 4.5Å; E316-K324 HydrophobicContact CG-CD 4.1Å; E316-K324 PolarHBondContact N-O 2.96Å; E316-K324 VanDerWaalsContact N-O 3.13Å; E316-K324 PolarHBondContact O-N 3.2Å; E316-K324 VanDerWaalsContact OE1-CD 3.25Å; E316-K324 WeakPolarHBondContact OE1-CD 3.41Å; E316-K324 WeakPolarHBondContact OE1-CE 3.5Å; E316-K324 IonicContact OE1-NZ 3.13Å; E316-K324 PolarHBondContact OE1-NZ 3.17Å; E316-K324 WeakPolarHBondContact OE2-CD 3.16Å; E316-K324 IonicContact OE2-NZ 2.85Å
317D91.1Very high93.9Very high99 Ų9963.9 Ų63.953%0.52933%0.327SS..  trans-116.815.1-178.167.2-21.2000113.4L314 N319 W323L314-D317 HydrophobicContact CD1-CB 4.25Å; L314-D317 HydrophobicContact CD2-CB 4.1Å; L314-D317 HydrophobicContact CG-CB 4.43Å; D317-N319 PolarHBondContact O-N 2.84Å; D317-W323 HydrophobicContact CB-CD2 4.47Å; D317-W323 HydrophobicContact CB-CG 4.33Å
318S84.1Confident93.6Very high117 Ų11764.9 Ų64.982%0.81834%0.337SS*.  trans-66.213.9-171-40.80000116.2
319N86.8Confident93.4Very high65 Ų6568.8 Ų68.835%0.34836%0.355SS..SBendtrans-149.8135177176.316.7000108.9D317 D321 W323D317-N319 PolarHBondContact O-N 2.84Å; N319-D321 PolarHBondContact O-N 3.02Å; N319-D321 PolarHBondContact OD1-N 3.29Å; N319-W323 PolarHBondContact O-NE1 3.36Å; N319-W323 VanDerWaalsContact O-NE1 3.09Å
320E89.1Confident93.3Very high178 Ų17872.9 Ų72.983%0.83237%0.366SS*.SBendtrans-69.2-30.4-175.5-62.6-176.4-173.500113.8A336E320-A336 VanDerWaalsContact O-CB 3.29Å; E320-A336 WeakPolarHBondContact O-CB 3.48Å
321D92.4Very high93.3Very high85 Ų8575.5 Ų75.546%0.45538%0.379SS..SBendtrans-86.3-36.2-177.1-79.7-40.3000113.1N319 P335 A336N319-D321 PolarHBondContact O-N 3.02Å; N319-D321 PolarHBondContact OD1-N 3.29Å; D321-P335 WeakPolarHBondContact O-CA 3.31Å; D321-A336 PolarHBondContact O-N 2.97Å
322W94.1Very high93.3Very high35 Ų3571.3 Ų71.313%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-135.4118.4-167.8-7192.5000111.5R43 F296 F333 F334 P335R43-W322 PolarHBondContact O-NE1 3.02Å; F296-W322 HydrophobicContact CE1-CZ3 4.03Å; F296-W322 HydrophobicContact CE2-CH2 4.18Å; F296-W322 HydrophobicContact CE2-CZ3 4.41Å; F296-W322 AromaticContact CZ-CH2 3.73Å; F296-W322 HydrophobicContact CZ-CH2 3.73Å; F296-W322 AromaticContact CZ-CZ3 3.65Å; F296-W322 HydrophobicContact CZ-CZ3 3.65Å; W322-F333 HydrophobicContact CE3-CB 4.31Å; W322-F334 WeakPolarHBondContact CA-O 3.21Å; W322-F334 VanDerWaalsContact CE3-C 3.46Å; W322-P335 HydrophobicContact CE3-CG 4.39Å; W322-P335 HydrophobicContact CH2-CG 4.16Å; W322-P335 HydrophobicContact CZ3-CG 3.98Å
323W96.4Very high93.3Very high48 Ų4873.7 Ų73.718%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-107.6157.4177.4-68.7-14000111.1Y290 L314 D317 N319 F333 F334 A336 V339Y290-W323 HydrophobicContact CD1-CZ3 4.09Å; Y290-W323 HydrophobicContact CE1-CH2 4.07Å; Y290-W323 AromaticContact CE1-CZ3 3.53Å; Y290-W323 HydrophobicContact CE1-CZ3 3.53Å; L314-W323 HydrophobicContact CD1-CB 3.73Å; L314-W323 HydrophobicContact CD1-CD2 4Å; L314-W323 HydrophobicContact CD1-CE3 3.96Å; L314-W323 HydrophobicContact CD1-CG 3.95Å; L314-W323 HydrophobicContact CD2-CE3 4.46Å; D317-W323 HydrophobicContact CB-CD2 4.47Å; D317-W323 HydrophobicContact CB-CG 4.33Å; N319-W323 PolarHBondContact O-NE1 3.36Å; N319-W323 VanDerWaalsContact O-NE1 3.09Å; W323-F333 CarbonylContact O-C 3.45Å; W323-F333 VanDerWaalsContact O-CA 3.24Å; W323-F333 WeakPolarHBondContact O-CA 3.24Å; W323-F334 HydrophobicContact CB-CE1 4.02Å; W323-F334 HydrophobicContact CB-CE2 4.01Å; W323-F334 HydrophobicContact CB-CZ 3.66Å; W323-F334 HydrophobicContact CE3-CE2 4.07Å; W323-F334 HydrophobicContact CE3-CZ 4.18Å; W323-F334 PolarHBondContact N-O 2.68Å; W323-F334 WeakPolarHBondContact O-CD1 3.31Å; W323-F334 PolarHBondContact O-N 2.71Å; W323-A336 HydrophobicContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CE2-CB 3.45Å; W323-A336 HydrophobicContact CE3-CB 3.84Å; W323-A336 HydrophobicContact CG-CB 3.86Å; W323-A336 HydrophobicContact CH2-CB 4.18Å; W323-A336 HydrophobicContact CZ2-CB 3.84Å; W323-A336 HydrophobicContact CZ3-CB 4.17Å; W323-V339 HydrophobicContact CE3-CG2 4.07Å; W323-V339 HydrophobicContact CZ3-CG2 3.81Å
324K95.4Very high93.4Very high53 Ų5371 Ų7123%0.2335%0.352CS..EExtended strand (participates in β ladder)trans-108.3135.5174.1-162.8-172.6-177.6178.30109.5L315 E316 I331 G332 F333L315-K324 PolarHBondContact N-O 3.5Å; E316-K324 HydrophobicContact CB-CB 3.91Å; E316-K324 HydrophobicContact CB-CD 4.34Å; E316-K324 HydrophobicContact CG-CB 4.5Å; E316-K324 HydrophobicContact CG-CD 4.1Å; E316-K324 PolarHBondContact N-O 2.96Å; E316-K324 VanDerWaalsContact N-O 3.13Å; E316-K324 PolarHBondContact O-N 3.2Å; E316-K324 VanDerWaalsContact OE1-CD 3.25Å; E316-K324 WeakPolarHBondContact OE1-CD 3.41Å; E316-K324 WeakPolarHBondContact OE1-CE 3.5Å; E316-K324 IonicContact OE1-NZ 3.13Å; E316-K324 PolarHBondContact OE1-NZ 3.17Å; E316-K324 WeakPolarHBondContact OE2-CD 3.16Å; E316-K324 IonicContact OE2-NZ 2.85Å; K324-I331 HydrophobicContact CG-CG2 4.47Å; K324-G332 WeakPolarHBondContact CA-O 3.22Å; K324-F333 HydrophobicContact CB-CD1 3.82Å; K324-F333 HydrophobicContact CB-CE1 3.72Å; K324-F333 HydrophobicContact CD-CE1 4.09Å; K324-F333 HydrophobicContact CD-CZ 4.15Å; K324-F333 HydrophobicContact CG-CD1 4.14Å; K324-F333 HydrophobicContact CG-CE1 3.93Å; K324-F333 HydrophobicContact CG-CZ 4.3Å
325G96.1Very high93.4Very high0 Ų071.1 Ų71.10%035%0.354CS..EExtended strand (participates in β ladder)trans-152.1177.9-178.800000113.4T313 I331 G332T313-G325 CarbonylContact O-C 3.58Å; T313-G325 WeakPolarHBondContact O-CA 3.47Å; G325-I331 WeakPolarHBondContact O-CA 3.32Å; G325-G332 PolarHBondContact N-O 3.43Å; G325-G332 PolarHBondContact O-N 2.85Å; G325-G332 VanDerWaalsContact O-N 3.16Å
326K95.9Very high93.5Very high73 Ų7367.7 Ų67.732%0.31734%0.338SS..EExtended strand (participates in β ladder)trans-120.5127.6178.3-176.3165.7174.9165.30110T313 L315 Q328 D329 R330 I331T313-K326 PolarHBondContact N-O 2.92Å; T313-K326 PolarHBondContact O-N 2.91Å; L315-K326 HydrophobicContact CD1-CB 4.18Å; K326-Q328 WeakPolarHBondContact CE-O 3.41Å; K326-Q328 VanDerWaalsContact CG-O 3.22Å; K326-Q328 WeakPolarHBondContact CG-O 3.5Å; K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 2.84Å; K326-R330 CarbonylContact C-O 3.58Å; K326-R330 VanDerWaalsContact CA-O 3.29Å; K326-R330 WeakPolarHBondContact CA-O 3.36Å; K326-I331 HydrophobicContact CB-CG1 4.04Å; K326-I331 HydrophobicContact CD-CD1 4.2Å; K326-I331 HydrophobicContact CD-CG1 4.06Å; K326-I331 HydrophobicContact CG-CG1 3.93Å
327I96Very high93.6Very high8 Ų869.2 Ų69.24%0.04135%0.348CS..EExtended strand (participates in β ladder)trans-120.5118.1167.9-67.3168.4000107L304 M306 D310 I312 D329 R330L304-I327 HydrophobicContact CD1-CB 4.34Å; L304-I327 HydrophobicContact CD1-CD1 4.39Å; L304-I327 HydrophobicContact CD2-CD1 3.81Å; L304-I327 HydrophobicContact CD2-CG1 3.93Å; L304-I327 HydrophobicContact CG-CD1 3.92Å; L304-I327 HydrophobicContact CG-CG1 4.38Å; M306-I327 HydrophobicContact CB-CD1 4.37Å; M306-I327 HydrophobicContact CG-CD1 3.84Å; D310-I327 HydrophobicContact CB-CD1 4.12Å; I312-I327 HydrophobicContact CB-CG1 4.17Å; I312-I327 HydrophobicContact CG1-CD1 3.72Å; I312-I327 HydrophobicContact CG1-CG1 3.7Å; I312-I327 HydrophobicContact CG2-CG1 4.14Å; I327-D329 PolarHBondContact O-N 2.96Å; I327-R330 PolarHBondContact N-O 3.09Å; I327-R330 PolarHBondContact O-N 3.03Å
328Q90.6Very high93.8Very high166 Ų16667.3 Ų67.378%0.77634%0.335SS*.THydrogen-bonded Turntrans49.8-120.6-169.1-62.5172.4-19.700108.7K326K326-Q328 WeakPolarHBondContact CE-O 3.41Å; K326-Q328 VanDerWaalsContact CG-O 3.22Å; K326-Q328 WeakPolarHBondContact CG-O 3.5Å
329D91.4Very high94.4Very high136 Ų13662.4 Ų62.473%0.72730%0.301SS*.THydrogen-bonded Turntrans-96.90.5175-71.1-54.7000115.8K326 I327K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 2.84Å; I327-D329 PolarHBondContact O-N 2.96Å
330R94.8Very high94.8Very high101 Ų10160.6 Ų60.638%0.38129%0.29SS..EExtended strand (participates in β ladder)trans-85.2131.1179.2-55-171.1-62179.84110.3L304 E305 K326 I327L304-R330 HydrophobicContact CD1-CB 3.76Å; L304-R330 WeakPolarHBondContact CD1-O 3.32Å; E305-R330 PolarHBondContact O-NH2 3.46Å; E305-R330 IonicContact OE2-CZ 3.77Å; E305-R330 IonicContact OE2-NH1 3.91Å; E305-R330 PolarHBondContact OE2-NH1 2.87Å; E305-R330 IonicContact OE2-NH2 3.63Å; E305-R330 PolarHBondContact OE2-NH2 2.82Å; K326-R330 CarbonylContact C-O 3.58Å; K326-R330 VanDerWaalsContact CA-O 3.29Å; K326-R330 WeakPolarHBondContact CA-O 3.36Å; I327-R330 PolarHBondContact N-O 3.09Å; I327-R330 PolarHBondContact O-N 3.03Å
331I96.1Very high95Very high96 Ų9657.2 Ų57.249%0.49227%0.27SS..EExtended strand (participates in β ladder)trans-120.4136.4176.5-60.8176.2000108.7L315 K324 G325 K326L315-I331 HydrophobicContact CD1-CD1 4.31Å; L315-I331 HydrophobicContact CD1-CG1 4.4Å; L315-I331 HydrophobicContact CD1-CG2 3.88Å; K324-I331 HydrophobicContact CG-CG2 4.47Å; G325-I331 WeakPolarHBondContact O-CA 3.32Å; K326-I331 HydrophobicContact CB-CG1 4.04Å; K326-I331 HydrophobicContact CD-CD1 4.2Å; K326-I331 HydrophobicContact CD-CG1 4.06Å; K326-I331 HydrophobicContact CG-CG1 3.93Å
332G95.9Very high95.1Very high4 Ų454 Ų544%0.04125%0.252CS..EExtended strand (participates in β ladder)trans179.5-175.617700000113.2E302 K324 G325E302-G332 CarbonylContact O-C 3.57Å; E302-G332 WeakPolarHBondContact O-CA 3.35Å; K324-G332 WeakPolarHBondContact CA-O 3.22Å; G325-G332 PolarHBondContact N-O 3.43Å; G325-G332 PolarHBondContact O-N 2.85Å; G325-G332 VanDerWaalsContact O-N 3.16Å
333F96.3Very high94.9Very high50 Ų5057.1 Ų57.122%0.21927%0.268CS..EExtended strand (participates in β ladder)trans-91.4145.1179.6-65-75.8000112.7E302 D303 L304 W322 W323 K324E302-F333 HydrophobicContact CB-CD2 4.05Å; E302-F333 HydrophobicContact CB-CE2 4.39Å; E302-F333 HydrophobicContact CG-CD2 3.95Å; E302-F333 HydrophobicContact CG-CE2 4.42Å; E302-F333 PolarHBondContact O-N 2.89Å; E302-F333 WeakPolarHBondContact OE2-CE2 3.34Å; D303-F333 WeakPolarHBondContact CA-O 3.27Å; L304-F333 PolarHBondContact N-O 2.74Å; W322-F333 HydrophobicContact CE3-CB 4.31Å; W323-F333 CarbonylContact O-C 3.45Å; W323-F333 VanDerWaalsContact O-CA 3.24Å; W323-F333 WeakPolarHBondContact O-CA 3.24Å; K324-F333 HydrophobicContact CB-CD1 3.82Å; K324-F333 HydrophobicContact CB-CE1 3.72Å; K324-F333 HydrophobicContact CD-CE1 4.09Å; K324-F333 HydrophobicContact CD-CZ 4.15Å; K324-F333 HydrophobicContact CG-CD1 4.14Å; K324-F333 HydrophobicContact CG-CE1 3.93Å; K324-F333 HydrophobicContact CG-CZ 4.3Å
334F96.9Very high94.2Very high0 Ų059.3 Ų59.30%028%0.281CS..EExtended strand (participates in β ladder)trans-147.6158.5177.565.4-88.2000111.7F296 L304 M306 I312 L314 W322 W323 A336 V339F296-F334 HydrophobicContact CD1-CB 4.17Å; F296-F334 HydrophobicContact CE1-CB 4.46Å; L304-F334 HydrophobicContact CD2-CD1 4.01Å; M306-F334 HydrophobicContact CE-CB 3.77Å; M306-F334 HydrophobicContact CE-CD2 3.98Å; M306-F334 HydrophobicContact CE-CG 4.18Å; M306-F334 HydrophobicContact CG-CB 4.36Å; M306-F334 HydrophobicContact SD-CB 3.62Å; M306-F334 HydrophobicContact SD-CD1 4.45Å; M306-F334 HydrophobicContact SD-CD2 3.76Å; M306-F334 HydrophobicContact SD-CG 3.68Å; I312-F334 HydrophobicContact CG2-CE1 3.87Å; I312-F334 HydrophobicContact CG2-CZ 4.12Å; L314-F334 HydrophobicContact CD1-CZ 4.32Å; W322-F334 WeakPolarHBondContact CA-O 3.21Å; W322-F334 VanDerWaalsContact CE3-C 3.46Å; W323-F334 HydrophobicContact CB-CE1 4.02Å; W323-F334 HydrophobicContact CB-CE2 4.01Å; W323-F334 HydrophobicContact CB-CZ 3.66Å; W323-F334 HydrophobicContact CE3-CE2 4.07Å; W323-F334 HydrophobicContact CE3-CZ 4.18Å; W323-F334 PolarHBondContact N-O 2.68Å; W323-F334 WeakPolarHBondContact O-CD1 3.31Å; W323-F334 PolarHBondContact O-N 2.71Å; F334-A336 PolarHBondContact O-N 3.06Å; F334-V339 HydrophobicContact CD2-CG1 3.8Å; F334-V339 HydrophobicContact CE2-CB 4.32Å; F334-V339 HydrophobicContact CE2-CG1 3.52Å; F334-V339 HydrophobicContact CE2-CG2 3.79Å; F334-V339 HydrophobicContact CZ-CG1 4.45Å
335P96Very high93.8Very high11 Ų1163.6 Ų63.67%0.07131%0.306CS..EExtended strand (participates in β ladder)trans-69124178.5-19.933.2000112.1F296 D321 W322 N337 F338F296-P335 HydrophobicContact CD2-CG 4.15Å; F296-P335 HydrophobicContact CE2-CG 4.22Å; F296-P335 HydrophobicContact CG-CG 4.41Å; D321-P335 WeakPolarHBondContact O-CA 3.31Å; W322-P335 HydrophobicContact CE3-CG 4.39Å; W322-P335 HydrophobicContact CH2-CG 4.16Å; W322-P335 HydrophobicContact CZ3-CG 3.98Å; P335-N337 VanDerWaalsContact CB-OD1 3.28Å; P335-N337 WeakPolarHBondContact CB-OD1 3.49Å; P335-N337 PolarHBondContact O-N 2.69Å; P335-N337 VanDerWaalsContact O-N 3.13Å; P335-F338 HydrophobicContact CB-CB 4.32Å; P335-F338 HydrophobicContact CB-CD1 3.99Å; P335-F338 HydrophobicContact CB-CE1 4.47Å; P335-F338 HydrophobicContact CB-CG 4.1Å; P335-F338 HydrophobicContact CG-CD1 4.45Å; P335-F338 HydrophobicContact CG-CD2 4.42Å; P335-F338 HydrophobicContact CG-CG 4.3Å; P335-F338 WeakPolarHBondContact O-CB 3.48Å; P335-F338 PolarHBondContact O-N 3.26Å
336A95.1Very high93.6Very high12 Ų1265.2 Ų65.210%0.09931%0.314CS..G310 helixtrans-58.4-30.5-178.600000113.1E320 D321 W323 F334 F338 V339E320-A336 VanDerWaalsContact O-CB 3.29Å; E320-A336 WeakPolarHBondContact O-CB 3.48Å; D321-A336 PolarHBondContact O-N 2.97Å; W323-A336 HydrophobicContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CE2-CB 3.45Å; W323-A336 HydrophobicContact CE3-CB 3.84Å; W323-A336 HydrophobicContact CG-CB 3.86Å; W323-A336 HydrophobicContact CH2-CB 4.18Å; W323-A336 HydrophobicContact CZ2-CB 3.84Å; W323-A336 HydrophobicContact CZ3-CB 4.17Å; F334-A336 PolarHBondContact O-N 3.06Å; A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 2.84Å; A336-V339 WeakPolarHBondContact O-CG2 3.46Å
337N95.2Very high93.5Very high116 Ų11667.2 Ų67.262%0.6232%0.322SS*.G310 helixtrans-78.9-3.6178.565.5-3.5000114.8P335P335-N337 VanDerWaalsContact CB-OD1 3.28Å; P335-N337 WeakPolarHBondContact CB-OD1 3.49Å; P335-N337 PolarHBondContact O-N 2.69Å; P335-N337 VanDerWaalsContact O-N 3.13Å
338F96Very high93.5Very high59 Ų5967.5 Ų67.526%0.25932%0.324SS..G310 helixtrans-92.2-8.2177.9-85.132.8000113.5L293 Y294 K295 F296 M306 P335 A336L293-F338 WeakPolarHBondContact CB-O 3.42Å; L293-F338 PolarHBondContact N-O 2.98Å; Y294-F338 HydrophobicContact CD2-CB 4.42Å; Y294-F338 HydrophobicContact CD2-CD1 4.27Å; Y294-F338 HydrophobicContact CD2-CG 4.19Å; K295-F338 WeakPolarHBondContact O-CE2 3.44Å; F296-F338 HydrophobicContact CB-CD2 4.04Å; F296-F338 HydrophobicContact CB-CE2 4.32Å; M306-F338 HydrophobicContact CE-CB 3.76Å; M306-F338 HydrophobicContact CE-CD2 4.38Å; P335-F338 HydrophobicContact CB-CB 4.32Å; P335-F338 HydrophobicContact CB-CD1 3.99Å; P335-F338 HydrophobicContact CB-CE1 4.47Å; P335-F338 HydrophobicContact CB-CG 4.1Å; P335-F338 HydrophobicContact CG-CD1 4.45Å; P335-F338 HydrophobicContact CG-CD2 4.42Å; P335-F338 HydrophobicContact CG-CG 4.3Å; P335-F338 WeakPolarHBondContact O-CB 3.48Å; P335-F338 PolarHBondContact O-N 3.26Å; A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 2.84Å
339V95.7Very high93.8Very high15 Ų1560.2 Ų60.29%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-113.2160.6-177.3-590000112.6Y290 V291 M306 I312 W323 F334 A336Y290-V339 HydrophobicContact CD1-CB 4.22Å; Y290-V339 HydrophobicContact CD1-CG2 3.61Å; Y290-V339 HydrophobicContact CE1-CG2 4.35Å; Y290-V339 HydrophobicContact CG-CG2 4.25Å; V291-V339 CarbonylContact O-C 3.59Å; V291-V339 VanDerWaalsContact O-CA 3.28Å; V291-V339 WeakPolarHBondContact O-CA 3.31Å; M306-V339 HydrophobicContact CE-CG1 4.19Å; M306-V339 HydrophobicContact SD-CG1 4.02Å; I312-V339 HydrophobicContact CD1-CG1 3.72Å; W323-V339 HydrophobicContact CE3-CG2 4.07Å; W323-V339 HydrophobicContact CZ3-CG2 3.81Å; F334-V339 HydrophobicContact CD2-CG1 3.8Å; F334-V339 HydrophobicContact CE2-CB 4.32Å; F334-V339 HydrophobicContact CE2-CG1 3.52Å; F334-V339 HydrophobicContact CE2-CG2 3.79Å; F334-V339 HydrophobicContact CZ-CG1 4.45Å; A336-V339 WeakPolarHBondContact O-CG2 3.46Å
340Q95.4Very high94.1Very high26 Ų2658 Ų5812%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-119.3128.4172.9172.957.860.500108.2Y290 V291 L293 L342 V373Y290-Q340 CarbonylContact C-O 3.49Å; Y290-Q340 VanDerWaalsContact CA-O 3.25Å; Y290-Q340 WeakPolarHBondContact CA-O 3.34Å; V291-Q340 HydrophobicContact CG1-CB 3.92Å; V291-Q340 HydrophobicContact CG1-CG 4.39Å; V291-Q340 PolarHBondContact N-O 3.11Å; V291-Q340 PolarHBondContact O-N 3.28Å; L293-Q340 HydrophobicContact CD1-CB 4.03Å; L293-Q340 HydrophobicContact CD2-CB 3.75Å; L293-Q340 HydrophobicContact CG-CB 3.84Å; Q340-L342 PolarHBondContact O-N 3.13Å; Q340-V373 HydrophobicContact CG-CG1 4.11Å; Q340-V373 HydrophobicContact CG-CG2 3.84Å
341R94.4Very high94.2Very high108 Ų10853.1 Ų53.141%0.40825%0.253SS..EExtended strand (participates in β ladder)trans-64.4132.1172.4-165.6-179.3-167.8175.89.8108.8M287 Y290M287-R341 PolarHBondContact O-NE 2.96Å; M287-R341 PolarHBondContact O-NH2 3.38Å; Y290-R341 VanDerWaalsContact CD1-CA 3.4Å; Y290-R341 HydrophobicContact CD1-CB 3.89Å; Y290-R341 HydrophobicContact CD1-CG 4.35Å; Y290-R341 HydrophobicContact CE1-CB 3.53Å; Y290-R341 HydrophobicContact CE1-CG 3.86Å; Y290-R341 HydrophobicContact CE2-CG 4.15Å
342L93.9Very high94.2Very high17 Ų1751.6 Ų51.69%0.08925%0.247CC..  trans-89.6146.1170.7-67.5168.5000109.4T289 V291 Q340 I348 V373T289-L342 HydrophobicContact CG2-CD1 4.11Å; T289-L342 PolarHBondContact O-N 3.42Å; V291-L342 HydrophobicContact CB-CD1 4.18Å; V291-L342 HydrophobicContact CB-CD2 4.3Å; V291-L342 HydrophobicContact CB-CG 4.28Å; V291-L342 HydrophobicContact CG1-CD2 3.91Å; V291-L342 HydrophobicContact CG1-CG 4.22Å; Q340-L342 PolarHBondContact O-N 3.13Å; L342-I348 HydrophobicContact CD1-CD1 3.94Å; L342-I348 HydrophobicContact CD2-CD1 4.16Å; L342-I348 HydrophobicContact CD2-CG1 3.88Å; L342-V373 HydrophobicContact CD2-CB 4.32Å; L342-V373 HydrophobicContact CD2-CG1 3.6Å
343Q89.7Confident94.1Very high101 Ų10156.9 Ų56.947%0.47227%0.266SS..  trans-106.8162.3167.8-58.9-62.4-85.700111.1N345 E346Q343-N345 PolarHBondContact O-N 2.98Å; Q343-E346 HydrophobicContact CB-CG 3.94Å; Q343-E346 PolarHBondContact N-OE2 2.69Å; Q343-E346 WeakPolarHBondContact O-CB 3.25Å; Q343-E346 PolarHBondContact O-N 3.34Å
344Q82Confident94.1Very high94 Ų9457.7 Ų57.744%0.43928%0.275SS..THydrogen-bonded Turntrans-55.9126.9173.4-168.5169.318.600109.4Q286Q286-Q344 VanDerWaalsContact OE1-CD 3.27Å
345N86.2Confident94Very high143 Ų14359.4 Ų59.477%0.76528%0.283SS*.THydrogen-bonded Turntrans70.813.8-175.1-49.2-15.2000116.6Q343Q343-N345 PolarHBondContact O-N 2.98Å
346E92.3Very high93.9Very high34 Ų3462.8 Ų62.816%0.15930%0.3CS..PPolyproline II helixtrans-76.6131.3168.8-75.1-171.214800112.5Q343 S374 S375Q343-E346 HydrophobicContact CB-CG 3.94Å; Q343-E346 PolarHBondContact N-OE2 2.69Å; Q343-E346 WeakPolarHBondContact O-CB 3.25Å; Q343-E346 PolarHBondContact O-N 3.34Å; E346-S374 CarbonylContact C-O 3.55Å; E346-S374 WeakPolarHBondContact CA-O 3.28Å; E346-S375 PolarHBondContact OE1-OG 3.43Å
347K94.1Very high93.8Very high115 Ų11562.6 Ų62.650%0.530%0.299SS..EExtended strand (participates in β ladder)trans-89.1141.8171.8-65.5171.1-174.7167.90109.9F349 V373 S374K347-F349 HydrophobicContact CB-CD2 4.33Å; K347-F349 HydrophobicContact CB-CE2 3.54Å; K347-F349 HydrophobicContact CB-CZ 3.79Å; K347-F349 HydrophobicContact CD-CZ 4.12Å; K347-V373 CarbonylContact O-C 3.5Å; K347-V373 WeakPolarHBondContact O-CA 3.28Å; K347-S374 PolarHBondContact N-O 3.42Å; K347-S374 PolarHBondContact O-N 3.25Å
348I95.9Very high93.6Very high13 Ų1359 Ų597%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-100129.6178.9-49.6177.5000108.4V291 I311 L342 I371 N401 I402V291-I348 HydrophobicContact CB-CD1 4.23Å; V291-I348 HydrophobicContact CG2-CD1 4.11Å; V291-I348 HydrophobicContact CG2-CG2 3.93Å; I311-I348 HydrophobicContact CD1-CD1 3.93Å; I311-I348 HydrophobicContact CG1-CD1 3.93Å; L342-I348 HydrophobicContact CD1-CD1 3.94Å; L342-I348 HydrophobicContact CD2-CD1 4.16Å; L342-I348 HydrophobicContact CD2-CG1 3.88Å; I348-I371 HydrophobicContact CG2-CG2 3.93Å; I348-N401 WeakPolarHBondContact O-CA 3.37Å; I348-N401 PolarHBondContact O-OD1 3.46Å; I348-I402 HydrophobicContact CB-CG1 4.03Å; I348-I402 HydrophobicContact CG2-CD1 3.78Å; I348-I402 HydrophobicContact CG2-CG1 3.61Å; I348-I402 PolarHBondContact O-N 2.72Å; I348-I402 VanDerWaalsContact O-N 3.07Å
349F96.9Very high93.3Very high13 Ų1365 Ų656%0.05731%0.308CS..EExtended strand (participates in β ladder)trans-124.9134.2179.7-61.9-84.5000112.4K347 I371 C372 I383 L396 L399 E400 N401K347-F349 HydrophobicContact CB-CD2 4.33Å; K347-F349 HydrophobicContact CB-CE2 3.54Å; K347-F349 HydrophobicContact CB-CZ 3.79Å; K347-F349 HydrophobicContact CD-CZ 4.12Å; F349-I371 WeakPolarHBondContact O-CA 3.34Å; F349-C372 PolarHBondContact N-O 3.25Å; F349-C372 PolarHBondContact O-N 3.27Å; F349-I383 HydrophobicContact CE2-CD1 3.85Å; F349-I383 HydrophobicContact CZ-CD1 3.88Å; F349-L396 HydrophobicContact CE1-CD2 4.24Å; F349-L396 HydrophobicContact CZ-CD2 4.5Å; F349-L399 HydrophobicContact CB-CB 4.18Å; F349-L399 HydrophobicContact CB-CD1 4.02Å; F349-L399 HydrophobicContact CB-CD2 4.05Å; F349-L399 HydrophobicContact CB-CG 4.32Å; F349-L399 HydrophobicContact CD1-CB 3.92Å; F349-L399 HydrophobicContact CD1-CD1 4.11Å; F349-L399 HydrophobicContact CD2-CD1 4.32Å; F349-L399 HydrophobicContact CG-CB 4.3Å; F349-L399 HydrophobicContact CG-CD1 3.91Å; F349-E400 CarbonylContact C-O 3.59Å; F349-E400 VanDerWaalsContact CA-O 3.24Å; F349-E400 WeakPolarHBondContact CA-O 3.38Å; F349-N401 HydrophobicContact CD1-CB 4.19Å; F349-N401 HydrophobicContact CE1-CB 4.07Å
350R97.2Very high93.1Very high89 Ų8973.1 Ų73.134%0.33635%0.345SS..EExtended strand (participates in β ladder)trans-91.6131.1163.9179166.265.3-167.32.1109.1V352 I371 L399 E400 I402R350-V352 PolarHBondContact O-N 3.46Å; R350-I371 HydrophobicContact CB-CD1 4.14Å; R350-I371 HydrophobicContact CG-CD1 4.38Å; R350-L399 WeakPolarHBondContact O-CA 3.11Å; R350-E400 IonicContact CZ-OE1 3.48Å; R350-E400 IonicContact CZ-OE2 2.71Å; R350-E400 PolarHBondContact N-O 2.87Å; R350-E400 IonicContact NE-OE2 3.68Å; R350-E400 PolarHBondContact NE-OE2 3.45Å; R350-E400 IonicContact NH2-OE1 3.32Å; R350-E400 PolarHBondContact NH2-OE1 2.82Å; R350-E400 IonicContact NH2-OE2 2.96Å; R350-E400 PolarHBondContact NH2-OE2 3.1Å; R350-E400 PolarHBondContact O-N 3.37Å; R350-I402 HydrophobicContact CB-CD1 4.32Å; R350-I402 HydrophobicContact CB-CG2 3.85Å
351C96.8Very high92.8Very high0 Ų077 Ų770%036%0.363CS..EExtended strand (participates in β ladder)trans-80.9111.4175.1-173.90000110.7R353 L366 K367 E368 N369 Q370 V398 L399C351-R353 PolarHBondContact O-N 3.48Å; C351-R353 PolarHBondContact SG-O 2.9Å; C351-L366 HydrophobicContact CB-CB 4.32Å; C351-L366 HydrophobicContact CB-CD1 4.46Å; C351-K367 WeakPolarHBondContact CB-O 2.71Å; C351-E368 CarbonylContact O-C 3.57Å; C351-E368 WeakPolarHBondContact O-CA 3.29Å; C351-N369 PolarHBondContact O-N 3.45Å; C351-Q370 WeakPolarHBondContact CB-O 3.22Å; C351-Q370 PolarHBondContact N-O 2.87Å; C351-V398 CarbonylContact C-O 3.52Å; C351-V398 VanDerWaalsContact CA-O 3.26Å; C351-V398 WeakPolarHBondContact CA-O 3.49Å; C351-V398 PolarHBondContact SG-O 3.08Å; C351-V398 VanDerWaalsContact SG-O 3.36Å; C351-L399 HydrophobicContact CB-CD2 4.17Å
352V96.7Very high92.7Very high63 Ų6373.7 Ų73.738%0.38236%0.363SS..SBendtrans-78-15.4-173.3-58.80000114.4R350 V398 E400R350-V352 PolarHBondContact O-N 3.46Å; V352-V398 PolarHBondContact N-O 3.03Å; V352-E400 HydrophobicContact CG1-CB 3.4Å; V352-E400 HydrophobicContact CG1-CG 4.35Å; V352-E400 WeakPolarHBondContact CG1-OE2 3.49Å
353R94.3Very high92.7Very high116 Ų11674.4 Ų74.444%0.43837%0.366SS..SBendtrans-154.6139.3177.863.4-169.3-168.979.1-0.6111.6C351 F355 D397 V398C351-R353 PolarHBondContact O-N 3.48Å; C351-R353 PolarHBondContact SG-O 2.9Å; R353-F355 PolarHBondContact O-N 2.79Å; R353-F355 VanDerWaalsContact O-N 3.09Å; R353-D397 IonicContact CZ-OD2 3.21Å; R353-D397 IonicContact NE-OD2 2.73Å; R353-D397 IonicContact NH2-OD1 2.82Å; R353-D397 IonicContact NH2-OD2 3.97Å; R353-D397 PolarHBondContact NH2-OD2 3.06Å; R353-V398 HydrophobicContact CG-CB 3.91Å; R353-V398 HydrophobicContact CG-CG1 3.78Å
354T95.1Very high93Very high67 Ų6770.1 Ų70.141%0.41135%0.346SS..  trans-59.3113.9-175.8-65.50000112.5E368T354-E368 PolarHBondContact OG1-N 2.83Å
355F94.9Very high93.6Very high35 Ų3568.4 Ų68.415%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-107.5134.9177.6176.5-99.6000111.3R353 G357 Q363 I364 T365 L366 F382 I394 P395 V398R353-F355 PolarHBondContact O-N 2.79Å; R353-F355 VanDerWaalsContact O-N 3.09Å; F355-G357 VanDerWaalsContact CE1-N 3.33Å; F355-Q363 HydrophobicContact CE1-CB 4.46Å; F355-I364 VanDerWaalsContact CD1-O 3.3Å; F355-I364 WeakPolarHBondContact CD1-O 3.41Å; F355-I364 WeakPolarHBondContact CE1-O 3.48Å; F355-T365 WeakPolarHBondContact O-CA 3.41Å; F355-L366 PolarHBondContact N-O 3.01Å; F355-L366 PolarHBondContact O-N 3.45Å; F355-F382 HydrophobicContact CZ-CE1 4.49Å; F355-I394 HydrophobicContact CB-CD1 4.25Å; F355-I394 HydrophobicContact CB-CG1 4.45Å; F355-I394 HydrophobicContact CD1-CD1 4.03Å; F355-I394 HydrophobicContact CD1-CG1 3.65Å; F355-I394 HydrophobicContact CE1-CG1 4.13Å; F355-I394 HydrophobicContact CG-CD1 4.43Å; F355-I394 HydrophobicContact CG-CG1 4.15Å; F355-P395 HydrophobicContact CD2-CG 4.1Å; F355-P395 HydrophobicContact CE2-CG 3.66Å; F355-P395 VanDerWaalsContact CZ-CD 3.46Å; F355-P395 HydrophobicContact CZ-CG 3.93Å; F355-V398 HydrophobicContact CB-CB 4.47Å; F355-V398 HydrophobicContact CB-CG1 4.36Å; F355-V398 HydrophobicContact CB-CG2 3.96Å; F355-V398 HydrophobicContact CD2-CG1 4.49Å; F355-V398 HydrophobicContact CG-CG2 4.36Å
356I94.8Very high94.1Very high83 Ų8361.6 Ų61.643%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-118.489.7177.7-54.4-171000108.9R169 T365R169-I356 VanDerWaalsContact NH2-CG1 3.33Å; I356-T365 HydrophobicContact CB-CG2 4.31Å; I356-T365 HydrophobicContact CG1-CG2 4.02Å; I356-T365 HydrophobicContact CG2-CG2 4.23Å
357G91.8Very high94.3Very high8 Ų866.9 Ų66.98%0.08233%0.328CS..  trans-71.2150.7176.900000114.4F355 K359 I364 T365F355-G357 VanDerWaalsContact CE1-N 3.33Å; G357-K359 PolarHBondContact O-N 3.16Å; G357-I364 VanDerWaalsContact CA-O 3.31Å; G357-I364 WeakPolarHBondContact CA-O 3.25Å; G357-I364 PolarHBondContact N-O 3.34Å; G357-T365 PolarHBondContact N-OG1 3.42Å
358C91.6Very high94.3Very high39 Ų3966.7 Ų66.726%0.26433%0.329SS..  trans-78.3114.6172.6-173.80000111.6E360 Q361 G362 Q363C358-E360 VanDerWaalsContact C-N 3.26Å; C358-E360 PolarHBondContact O-N 3.13Å; C358-Q361 HydrophobicContact CB-CB 4.24Å; C358-Q361 HydrophobicContact CB-CG 4.21Å; C358-Q361 CarbonylContact O-C 3.53Å; C358-Q361 WeakPolarHBondContact O-CA 3.39Å; C358-Q361 PolarHBondContact O-N 2.89Å; C358-G362 PolarHBondContact O-N 3.02Å; C358-Q363 WeakPolarHBondContact O-CB 3.28Å; C358-Q363 PolarHBondContact O-N 2.87Å; C358-Q363 VanDerWaalsContact O-N 3.11Å
359K90.2Very high94.3Very high187 Ų18770.4 Ų70.481%0.81335%0.349SS*.G310 helixtrans-58.5-34.4177.9-72.3-173.2175.8-173.90113.8G357 Q361 G362G357-K359 PolarHBondContact O-N 3.16Å; K359-Q361 PolarHBondContact O-N 3.2Å; K359-G362 PolarHBondContact O-N 2.86Å
360E91.3Very high94.2Very high184 Ų18471.1 Ų71.186%0.8635%0.352SS*.G310 helixtrans-64.5-21177.2-60.8175.3-177.200112.1C358C358-E360 VanDerWaalsContact C-N 3.26Å; C358-E360 PolarHBondContact O-N 3.13Å
361Q88.6Confident94.3Very high108 Ų10866.9 Ų66.951%0.50534%0.336SS..G310 helixtrans-102.313.9176.1-61.1176.6-9.300112C358 K359 Q363C358-Q361 HydrophobicContact CB-CB 4.24Å; C358-Q361 HydrophobicContact CB-CG 4.21Å; C358-Q361 CarbonylContact O-C 3.53Å; C358-Q361 WeakPolarHBondContact O-CA 3.39Å; C358-Q361 PolarHBondContact O-N 2.89Å; K359-Q361 PolarHBondContact O-N 3.2Å; Q361-Q363 HydrophobicContact CB-CG 4.24Å; Q361-Q363 PolarHBondContact O-N 3.1Å
362G92.4Very high94.2Very high39 Ų3966.9 Ų66.940%0.40234%0.336SS..THydrogen-bonded Turntrans67.811.3-177.900000114.9C358 K359 G392 L393C358-G362 PolarHBondContact O-N 3.02Å; K359-G362 PolarHBondContact O-N 2.86Å; G362-G392 CarbonylContact O-C 3.51Å; G362-G392 VanDerWaalsContact O-CA 3.25Å; G362-G392 WeakPolarHBondContact O-CA 3.19Å; G362-L393 PolarHBondContact O-N 3.16Å
363Q95Very high94.2Very high32 Ų3263.9 Ų63.915%0.1532%0.318CS..BIsolated β-bridgetrans-83.2145.4-178.1-62166.9-4.400111.9F355 C358 Q361 F382 L393F355-Q363 HydrophobicContact CE1-CB 4.46Å; C358-Q363 WeakPolarHBondContact O-CB 3.28Å; C358-Q363 PolarHBondContact O-N 2.87Å; C358-Q363 VanDerWaalsContact O-N 3.11Å; Q361-Q363 HydrophobicContact CB-CG 4.24Å; Q361-Q363 PolarHBondContact O-N 3.1Å; Q363-F382 HydrophobicContact CG-CE1 4.36Å; Q363-L393 CarbonylContact C-O 3.52Å; Q363-L393 WeakPolarHBondContact CA-O 3.22Å; Q363-L393 WeakPolarHBondContact CB-O 3.35Å; Q363-L393 HydrophobicContact CG-CB 4.18Å
364I95.4Very high94.3Very high10 Ų1058.6 Ų58.65%0.05130%0.299CS..  trans-91.4155.2178.4-169.8161.4000111.7F355 G357 L366 V385 K390 L393 I394F355-I364 VanDerWaalsContact CD1-O 3.3Å; F355-I364 WeakPolarHBondContact CD1-O 3.41Å; F355-I364 WeakPolarHBondContact CE1-O 3.48Å; G357-I364 VanDerWaalsContact CA-O 3.31Å; G357-I364 WeakPolarHBondContact CA-O 3.25Å; G357-I364 PolarHBondContact N-O 3.34Å; I364-L366 HydrophobicContact CD1-CD2 3.73Å; I364-L366 HydrophobicContact CD1-CG 4.42Å; I364-L366 HydrophobicContact CG1-CD2 3.88Å; I364-L366 HydrophobicContact CG1-CG 4.26Å; I364-L366 HydrophobicContact CG2-CG 4.14Å; I364-V385 HydrophobicContact CG2-CG2 3.86Å; I364-K390 HydrophobicContact CD1-CB 3.64Å; I364-K390 WeakPolarHBondContact CD1-O 3.32Å; I364-L393 PolarHBondContact N-O 2.95Å; I364-I394 HydrophobicContact CG2-CB 3.87Å; I364-I394 HydrophobicContact CG2-CD1 4.38Å
365T95.4Very high94.1Very high58 Ų5858.7 Ų58.736%0.35630%0.302SS..EExtended strand (participates in β ladder)trans-105.4115.5166.4-66.20000108.5F355 I356 G357F355-T365 WeakPolarHBondContact O-CA 3.41Å; I356-T365 HydrophobicContact CB-CG2 4.31Å; I356-T365 HydrophobicContact CG1-CG2 4.02Å; I356-T365 HydrophobicContact CG2-CG2 4.23Å; G357-T365 PolarHBondContact N-OG1 3.42Å
366L96Very high93.9Very high0 Ų060.2 Ų60.20%031%0.31CS..EExtended strand (participates in β ladder)trans-118144.4173.9-62.3-171000110C351 F355 I364 C372 V385 I394C351-L366 HydrophobicContact CB-CB 4.32Å; C351-L366 HydrophobicContact CB-CD1 4.46Å; F355-L366 PolarHBondContact N-O 3.01Å; F355-L366 PolarHBondContact O-N 3.45Å; I364-L366 HydrophobicContact CD1-CD2 3.73Å; I364-L366 HydrophobicContact CD1-CG 4.42Å; I364-L366 HydrophobicContact CG1-CD2 3.88Å; I364-L366 HydrophobicContact CG1-CG 4.26Å; I364-L366 HydrophobicContact CG2-CG 4.14Å; L366-C372 HydrophobicContact CD1-CB 3.83Å; L366-C372 VanDerWaalsContact CD1-SG 3.59Å; L366-V385 HydrophobicContact CD1-CG2 4.12Å; L366-I394 HydrophobicContact CB-CD1 4Å; L366-I394 HydrophobicContact CD1-CD1 3.62Å; L366-I394 HydrophobicContact CG-CD1 3.86Å
367K95.6Very high93.7Very high146 Ų14664.3 Ų64.364%0.63533%0.327SS*.  trans-84.1157.5170.2-68.4-172.4176.4-172.50110.7C351 Q370C351-K367 WeakPolarHBondContact CB-O 2.71Å; K367-Q370 HydrophobicContact CB-CB 4.38Å; K367-Q370 WeakPolarHBondContact O-CB 3.14Å; K367-Q370 PolarHBondContact O-N 2.96Å; K367-Q370 VanDerWaalsContact O-N 3.13Å
368E95Very high93.7Very high110 Ų11069.7 Ų69.751%0.51435%0.35SS..THydrogen-bonded Turntrans-49.8141.8162.1-165.3-167.7121.200111.4C351 T354 Q370C351-E368 CarbonylContact O-C 3.57Å; C351-E368 WeakPolarHBondContact O-CA 3.29Å; T354-E368 PolarHBondContact OG1-N 2.83Å; E368-Q370 PolarHBondContact O-N 2.9Å; E368-Q370 VanDerWaalsContact O-N 3.1Å
369N94.8Very high93.7Very high91 Ų9175.1 Ų75.149%0.48737%0.372SS..THydrogen-bonded Turntrans58.511.1-174.5-61.2-69.2000115.3C351C351-N369 PolarHBondContact O-N 3.45Å
370Q96.5Very high93.7Very high28 Ų2873.5 Ų73.513%0.13137%0.372CS..  trans-82.3137.4171.6-167.5179.6-21.900110.4C351 K367 E368 S387C351-Q370 WeakPolarHBondContact CB-O 3.22Å; C351-Q370 PolarHBondContact N-O 2.87Å; K367-Q370 HydrophobicContact CB-CB 4.38Å; K367-Q370 WeakPolarHBondContact O-CB 3.14Å; K367-Q370 PolarHBondContact O-N 2.96Å; K367-Q370 VanDerWaalsContact O-N 3.13Å; E368-Q370 PolarHBondContact O-N 2.9Å; E368-Q370 VanDerWaalsContact O-N 3.1Å; Q370-S387 PolarHBondContact NE2-OG 3.46Å
371I97.6Very high93.6Very high0 Ų066.2 Ų66.20%035%0.346CS..EExtended strand (participates in β ladder)trans-89.5143.9179.5-51.6-57.4000111.1V291 L293 P308 I348 F349 R350 S387 I402V291-I371 HydrophobicContact CG2-CG2 4.16Å; L293-I371 HydrophobicContact CD2-CB 4.13Å; L293-I371 HydrophobicContact CD2-CG2 4.28Å; P308-I371 HydrophobicContact CB-CD1 4Å; P308-I371 HydrophobicContact CB-CG1 3.54Å; I348-I371 HydrophobicContact CG2-CG2 3.93Å; F349-I371 WeakPolarHBondContact O-CA 3.34Å; R350-I371 HydrophobicContact CB-CD1 4.14Å; R350-I371 HydrophobicContact CG-CD1 4.38Å; I371-S387 WeakPolarHBondContact O-CB 3.44Å; I371-S387 PolarHBondContact O-OG 3.09Å; I371-I402 HydrophobicContact CD1-CD1 3.88Å
372C96.4Very high93.9Very high0 Ų063.4 Ų63.40%033%0.332CS..EExtended strand (participates in β ladder)trans-148.3156.617061.90000111.1F349 L366 V385 L386F349-C372 PolarHBondContact N-O 3.25Å; F349-C372 PolarHBondContact O-N 3.27Å; L366-C372 HydrophobicContact CD1-CB 3.83Å; L366-C372 VanDerWaalsContact CD1-SG 3.59Å; C372-V385 HydrophobicContact CB-CB 3.86Å; C372-V385 HydrophobicContact CB-CG2 3.99Å; C372-L386 CarbonylContact C-O 3.51Å; C372-L386 WeakPolarHBondContact CA-O 3.46Å; C372-L386 WeakPolarHBondContact CB-O 3.41Å
373V96.4Very high94.1Very high0 Ų061.9 Ų61.90%032%0.315CS..EExtended strand (participates in β ladder)trans-117.8153.2-178.7-55.90000110.7V291 Q340 L342 K347 V385 L386V291-V373 HydrophobicContact CG1-CG1 3.71Å; Q340-V373 HydrophobicContact CG-CG1 4.11Å; Q340-V373 HydrophobicContact CG-CG2 3.84Å; L342-V373 HydrophobicContact CD2-CB 4.32Å; L342-V373 HydrophobicContact CD2-CG1 3.6Å; K347-V373 CarbonylContact O-C 3.5Å; K347-V373 WeakPolarHBondContact O-CA 3.28Å; V373-V385 CarbonylContact O-C 3.57Å; V373-V385 WeakPolarHBondContact O-CA 3.2Å; V373-L386 HydrophobicContact CG2-CB 3.98Å; V373-L386 HydrophobicContact CG2-CD2 4.37Å; V373-L386 PolarHBondContact N-O 3.01Å; V373-L386 PolarHBondContact O-N 3.45Å
374S95.2Very high94.1Very high5 Ų564.6 Ų64.64%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-146137.2171.8-1690000113.7E346 K347 E376 R384E346-S374 CarbonylContact C-O 3.55Å; E346-S374 WeakPolarHBondContact CA-O 3.28Å; K347-S374 PolarHBondContact N-O 3.42Å; K347-S374 PolarHBondContact O-N 3.25Å; S374-E376 PolarHBondContact OG-N 3.49Å; S374-E376 VanDerWaalsContact OG-N 3.09Å; S374-E376 PolarHBondContact OG-O 3.26Å; S374-R384 VanDerWaalsContact CB-O 3.31Å; S374-R384 WeakPolarHBondContact CB-O 3.29Å; S374-R384 PolarHBondContact OG-O 3.41Å
375S91.5Very high94.2Very high69 Ų6964.1 Ų64.148%0.48332%0.321SS..  trans-1040.5168.824.30000112.4E346E346-S375 PolarHBondContact OE1-OG 3.43Å
376E90.7Very high94.2Very high67 Ų6763.4 Ų63.431%0.31332%0.315SS..SBendtrans-104.2147.1-177.6-69.9170.8-123.500110.1S374 I383 R384 K391S374-E376 PolarHBondContact OG-N 3.49Å; S374-E376 VanDerWaalsContact OG-N 3.09Å; S374-E376 PolarHBondContact OG-O 3.26Å; E376-I383 WeakPolarHBondContact O-CD1 3.37Å; E376-R384 HydrophobicContact CB-CB 4.41Å; E376-R384 WeakPolarHBondContact OE1-CD 3.44Å; E376-R384 IonicContact OE1-NE 3.39Å; E376-R384 VanDerWaalsContact OE2-CB 3.31Å; E376-R384 WeakPolarHBondContact OE2-CB 3.29Å; E376-R384 VanDerWaalsContact OE2-CD 3.32Å; E376-R384 WeakPolarHBondContact OE2-CD 3.13Å; E376-R384 IonicContact OE2-CZ 3.76Å; E376-R384 IonicContact OE2-NE 3.65Å; E376-R384 PolarHBondContact OE2-NE 3.3Å; E376-R384 IonicContact OE2-NH2 2.68Å; E376-K391 WeakPolarHBondContact OE1-CE 3.34Å; E376-K391 IonicContact OE1-NZ 2.69Å; E376-K391 PolarHBondContact OE1-NZ 3.13Å
377E90.4Very high94.1Very high169 Ų16963.6 Ų63.679%0.7932%0.317SS*.  trans-79.4174.8177.3-61.7-164.9133.800112.5
378E92.5Very high93.9Very high122 Ų12257.6 Ų57.657%0.5730%0.296SS*.  trans-67.4139174179.4172.1172.600111.8G381 L396E378-G381 VanDerWaalsContact OE1-CA 3.25Å; E378-G381 WeakPolarHBondContact OE1-CA 3.32Å; E378-G381 PolarHBondContact OE1-N 2.91Å; E378-L396 HydrophobicContact CB-CD1 3.6Å; E378-L396 VanDerWaalsContact CD-CD1 3.46Å; E378-L396 HydrophobicContact CG-CD1 3.54Å; E378-L396 VanDerWaalsContact OE2-CD1 3.27Å; E378-L396 WeakPolarHBondContact OE2-CD1 3.39Å
379Q90.3Very high93.7Very high153 Ų15363 Ų6372%0.71532%0.317SS*.BIsolated β-bridgetrans-141119.9167.9-160.4169.430.800110.5G381 F382Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.21Å; Q379-F382 PolarHBondContact N-O 3.13Å; Q379-F382 PolarHBondContact O-N 3.49Å; Q379-F382 VanDerWaalsContact O-O 3.06Å
380D89.9Confident93.6Very high153 Ų15364.2 Ų64.282%0.81832%0.319SS*.THydrogen-bonded Turntrans56.736.6178.4-164.541.2000114.6F382D380-F382 WeakPolarHBondContact O-CD2 3.38Å; D380-F382 PolarHBondContact O-N 3.11Å
381G90.9Very high93.5Very high31 Ų3168.6 Ų68.632%0.3234%0.337SS..THydrogen-bonded Turntrans80.7-2.9-176.100000114.9E378 Q379 P395 L396E378-G381 VanDerWaalsContact OE1-CA 3.25Å; E378-G381 WeakPolarHBondContact OE1-CA 3.32Å; E378-G381 PolarHBondContact OE1-N 2.91Å; Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.21Å; G381-P395 WeakPolarHBondContact O-CA 3.32Å; G381-L396 PolarHBondContact O-N 3.48Å
382F94.4Very high93.4Very high48 Ų4868.8 Ų68.821%0.21134%0.339CS..EExtended strand (participates in β ladder)trans-110.7147.2177.1-67.3-100.6000111.4F355 Q363 Q379 D380 L393 I394 P395F355-F382 HydrophobicContact CZ-CE1 4.49Å; Q363-F382 HydrophobicContact CG-CE1 4.36Å; Q379-F382 PolarHBondContact N-O 3.13Å; Q379-F382 PolarHBondContact O-N 3.49Å; Q379-F382 VanDerWaalsContact O-O 3.06Å; D380-F382 WeakPolarHBondContact O-CD2 3.38Å; D380-F382 PolarHBondContact O-N 3.11Å; F382-L393 HydrophobicContact CB-CB 4.45Å; F382-L393 HydrophobicContact CB-CD2 4.41Å; F382-L393 HydrophobicContact CD1-CB 4.24Å; F382-I394 CarbonylContact C-O 3.45Å; F382-I394 VanDerWaalsContact CA-O 3.29Å; F382-I394 WeakPolarHBondContact CA-O 3.48Å; F382-P395 HydrophobicContact CD1-CG 4.05Å; F382-P395 HydrophobicContact CE1-CG 3.64Å; F382-P395 HydrophobicContact CZ-CG 4.17Å
383I96.1Very high93.4Very high7 Ų770.8 Ų70.84%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-121.1148.3168.6-172.1169.1000109F349 E376 V385 L393 I394 L396 L399F349-I383 HydrophobicContact CE2-CD1 3.85Å; F349-I383 HydrophobicContact CZ-CD1 3.88Å; E376-I383 WeakPolarHBondContact O-CD1 3.37Å; I383-V385 HydrophobicContact CG2-CG1 3.94Å; I383-L393 WeakPolarHBondContact O-CA 3.15Å; I383-I394 HydrophobicContact CG2-CG2 4.01Å; I383-I394 PolarHBondContact N-O 3.49Å; I383-I394 PolarHBondContact O-N 3.34Å; I383-L396 HydrophobicContact CB-CD1 4.13Å; I383-L396 HydrophobicContact CB-CD2 4.27Å; I383-L396 HydrophobicContact CB-CG 4.01Å; I383-L396 HydrophobicContact CD1-CD2 4.31Å; I383-L396 HydrophobicContact CG2-CD1 4.38Å; I383-L396 HydrophobicContact CG2-CD2 3.77Å; I383-L396 HydrophobicContact CG2-CG 3.71Å; I383-L399 HydrophobicContact CG2-CD1 3.53Å
384R95.8Very high93.4Very high89 Ų8970.8 Ų70.834%0.33635%0.35SS..EExtended strand (participates in β ladder)trans-92.4118.2176.9-156.1-172.2-50.2-85-6.9110.2S374 E376 K391 G392 L393S374-R384 VanDerWaalsContact CB-O 3.31Å; S374-R384 WeakPolarHBondContact CB-O 3.29Å; S374-R384 PolarHBondContact OG-O 3.41Å; E376-R384 HydrophobicContact CB-CB 4.41Å; E376-R384 WeakPolarHBondContact OE1-CD 3.44Å; E376-R384 IonicContact OE1-NE 3.39Å; E376-R384 VanDerWaalsContact OE2-CB 3.31Å; E376-R384 WeakPolarHBondContact OE2-CB 3.29Å; E376-R384 VanDerWaalsContact OE2-CD 3.32Å; E376-R384 WeakPolarHBondContact OE2-CD 3.13Å; E376-R384 IonicContact OE2-CZ 3.76Å; E376-R384 IonicContact OE2-NE 3.65Å; E376-R384 PolarHBondContact OE2-NE 3.3Å; E376-R384 IonicContact OE2-NH2 2.68Å; R384-K391 HydrophobicContact CG-CG 4.26Å; R384-G392 WeakPolarHBondContact CA-O 3.24Å; R384-L393 HydrophobicContact CB-CD2 3.89Å; R384-L393 HydrophobicContact CG-CD2 4.1Å
385V96Very high93.4Very high0 Ų071.2 Ų71.20%035%0.352CS..EExtended strand (participates in β ladder)trans-116.4155-175.1-58.10000112.5I364 L366 C372 V373 I383 K391 G392 I394 L399I364-V385 HydrophobicContact CG2-CG2 3.86Å; L366-V385 HydrophobicContact CD1-CG2 4.12Å; C372-V385 HydrophobicContact CB-CB 3.86Å; C372-V385 HydrophobicContact CB-CG2 3.99Å; V373-V385 CarbonylContact O-C 3.57Å; V373-V385 WeakPolarHBondContact O-CA 3.2Å; I383-V385 HydrophobicContact CG2-CG1 3.94Å; V385-K391 VanDerWaalsContact O-CA 3.28Å; V385-K391 WeakPolarHBondContact O-CA 3.31Å; V385-G392 PolarHBondContact N-O 2.64Å; V385-G392 PolarHBondContact O-N 3.1Å; V385-I394 HydrophobicContact CB-CG2 4.3Å; V385-I394 HydrophobicContact CG1-CG2 3.65Å; V385-I394 HydrophobicContact CG2-CB 4.32Å; V385-I394 HydrophobicContact CG2-CG2 3.62Å; V385-L399 HydrophobicContact CG1-CD1 3.96Å
386L95.8Very high93.6Very high44 Ų4470 Ų7023%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-114.1126172.1-177.669.7000109.4C372 V373 G388 K390 K391C372-L386 CarbonylContact C-O 3.51Å; C372-L386 WeakPolarHBondContact CA-O 3.46Å; C372-L386 WeakPolarHBondContact CB-O 3.41Å; V373-L386 HydrophobicContact CG2-CB 3.98Å; V373-L386 HydrophobicContact CG2-CD2 4.37Å; V373-L386 PolarHBondContact N-O 3.01Å; V373-L386 PolarHBondContact O-N 3.45Å; L386-G388 WeakPolarHBondContact CD1-O 3.36Å; L386-K390 WeakPolarHBondContact CA-O 3.43Å; L386-K391 HydrophobicContact CD1-CB 3.89Å
387S94.9Very high93.8Very high4 Ų471.9 Ų71.93%0.02835%0.352CS..EExtended strand (participates in β ladder)trans-128.890.9174.6-170.30000108.6Q370 I371 K389 K390Q370-S387 PolarHBondContact NE2-OG 3.46Å; I371-S387 WeakPolarHBondContact O-CB 3.44Å; I371-S387 PolarHBondContact O-OG 3.09Å; S387-K389 PolarHBondContact O-N 2.76Å; S387-K390 PolarHBondContact N-O 2.79Å; S387-K390 PolarHBondContact O-N 3.2Å
388G91.5Very high94Very high19 Ų1963.8 Ų63.820%0.19632%0.315CS..THydrogen-bonded Turntrans56.1-128.4-168.100000110.9L386 K390L386-G388 WeakPolarHBondContact CD1-O 3.36Å; G388-K390 PolarHBondContact O-N 3.09Å
389K90.1Very high94.2Very high223 Ų22359 Ų5997%0.9729%0.293SS*.THydrogen-bonded Turntrans-75.515.3-177.7-54-170.2-179.1-172.10115.1S387S387-K389 PolarHBondContact O-N 2.76Å
390K93Very high94.5Very high117 Ų11755.3 Ų55.351%0.50928%0.275SS..EExtended strand (participates in β ladder)trans-124.7119.8-178-60.5172.4-173.71650110.6I364 L386 S387 G388I364-K390 HydrophobicContact CD1-CB 3.64Å; I364-K390 WeakPolarHBondContact CD1-O 3.32Å; L386-K390 WeakPolarHBondContact CA-O 3.43Å; S387-K390 PolarHBondContact N-O 2.79Å; S387-K390 PolarHBondContact O-N 3.2Å; G388-K390 PolarHBondContact O-N 3.09Å
391K94.7Very high94.7Very high120 Ų12053 Ų5352%0.52226%0.263SS..EExtended strand (participates in β ladder)trans-112.2145.1170.3-172.8156.5175.6163.10110.4E376 R384 V385 L386E376-K391 WeakPolarHBondContact OE1-CE 3.34Å; E376-K391 IonicContact OE1-NZ 2.69Å; E376-K391 PolarHBondContact OE1-NZ 3.13Å; R384-K391 HydrophobicContact CG-CG 4.26Å; V385-K391 VanDerWaalsContact O-CA 3.28Å; V385-K391 WeakPolarHBondContact O-CA 3.31Å; L386-K391 HydrophobicContact CD1-CB 3.89Å
392G95.4Very high94.8Very high4 Ų456.2 Ų56.24%0.04127%0.272CS..EExtended strand (participates in β ladder)trans172.9174.3175.400000113.8G362 R384 V385G362-G392 CarbonylContact O-C 3.51Å; G362-G392 VanDerWaalsContact O-CA 3.25Å; G362-G392 WeakPolarHBondContact O-CA 3.19Å; R384-G392 WeakPolarHBondContact CA-O 3.24Å; V385-G392 PolarHBondContact N-O 2.64Å; V385-G392 PolarHBondContact O-N 3.1Å
393L96.1Very high94.8Very high43 Ų4356.6 Ų56.623%0.22528%0.275CS..EExtended strand (participates in β ladder)trans-79.8139.9179.4-65.8171.2000112.1G362 Q363 I364 F382 I383 R384G362-L393 PolarHBondContact O-N 3.16Å; Q363-L393 CarbonylContact C-O 3.52Å; Q363-L393 WeakPolarHBondContact CA-O 3.22Å; Q363-L393 WeakPolarHBondContact CB-O 3.35Å; Q363-L393 HydrophobicContact CG-CB 4.18Å; I364-L393 PolarHBondContact N-O 2.95Å; F382-L393 HydrophobicContact CB-CB 4.45Å; F382-L393 HydrophobicContact CB-CD2 4.41Å; F382-L393 HydrophobicContact CD1-CB 4.24Å; I383-L393 WeakPolarHBondContact O-CA 3.15Å; R384-L393 HydrophobicContact CB-CD2 3.89Å; R384-L393 HydrophobicContact CG-CD2 4.1Å
394I96.6Very high94.7Very high0 Ų059.2 Ų59.20%029%0.288CS..EExtended strand (participates in β ladder)trans-141.9145.8173.6-166.8165.9000109.5F355 I364 L366 F382 I383 V385 V398 L399F355-I394 HydrophobicContact CB-CD1 4.25Å; F355-I394 HydrophobicContact CB-CG1 4.45Å; F355-I394 HydrophobicContact CD1-CD1 4.03Å; F355-I394 HydrophobicContact CD1-CG1 3.65Å; F355-I394 HydrophobicContact CE1-CG1 4.13Å; F355-I394 HydrophobicContact CG-CD1 4.43Å; F355-I394 HydrophobicContact CG-CG1 4.15Å; I364-I394 HydrophobicContact CG2-CB 3.87Å; I364-I394 HydrophobicContact CG2-CD1 4.38Å; L366-I394 HydrophobicContact CB-CD1 4Å; L366-I394 HydrophobicContact CD1-CD1 3.62Å; L366-I394 HydrophobicContact CG-CD1 3.86Å; F382-I394 CarbonylContact C-O 3.45Å; F382-I394 VanDerWaalsContact CA-O 3.29Å; F382-I394 WeakPolarHBondContact CA-O 3.48Å; I383-I394 HydrophobicContact CG2-CG2 4.01Å; I383-I394 PolarHBondContact N-O 3.49Å; I383-I394 PolarHBondContact O-N 3.34Å; V385-I394 HydrophobicContact CB-CG2 4.3Å; V385-I394 HydrophobicContact CG1-CG2 3.65Å; V385-I394 HydrophobicContact CG2-CB 4.32Å; V385-I394 HydrophobicContact CG2-CG2 3.62Å; I394-V398 HydrophobicContact CD1-CG2 3.52Å; I394-V398 HydrophobicContact CG1-CG2 3.41Å; I394-V398 VanDerWaalsContact CG1-CG2 3.41Å; I394-L399 HydrophobicContact CD1-CD2 4.2Å; I394-L399 HydrophobicContact CG2-CD1 3.72Å; I394-L399 HydrophobicContact CG2-CD2 4.37Å; I394-L399 HydrophobicContact CG2-CG 4.18Å
395P95.8Very high94.6Very high14 Ų1457.6 Ų57.69%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-60.2150.5172.6-24.535000112.2F355 G381 F382 D397 V398F355-P395 HydrophobicContact CD2-CG 4.1Å; F355-P395 HydrophobicContact CE2-CG 3.66Å; F355-P395 VanDerWaalsContact CZ-CD 3.46Å; F355-P395 HydrophobicContact CZ-CG 3.93Å; G381-P395 WeakPolarHBondContact O-CA 3.32Å; F382-P395 HydrophobicContact CD1-CG 4.05Å; F382-P395 HydrophobicContact CE1-CG 3.64Å; F382-P395 HydrophobicContact CZ-CG 4.17Å; P395-D397 WeakPolarHBondContact CB-OD1 3.25Å; P395-V398 HydrophobicContact CB-CG1 4.46Å; P395-V398 WeakPolarHBondContact O-CG2 3.16Å
396L94.6Very high94.6Very high44 Ų4460.9 Ų60.923%0.2330%0.302CS..G310 helixtrans-75.5-24.5171.7-87.2157.2000113.2F349 E378 G381 I383 V398 L399F349-L396 HydrophobicContact CE1-CD2 4.24Å; F349-L396 HydrophobicContact CZ-CD2 4.5Å; E378-L396 HydrophobicContact CB-CD1 3.6Å; E378-L396 VanDerWaalsContact CD-CD1 3.46Å; E378-L396 HydrophobicContact CG-CD1 3.54Å; E378-L396 VanDerWaalsContact OE2-CD1 3.27Å; E378-L396 WeakPolarHBondContact OE2-CD1 3.39Å; G381-L396 PolarHBondContact O-N 3.48Å; I383-L396 HydrophobicContact CB-CD1 4.13Å; I383-L396 HydrophobicContact CB-CD2 4.27Å; I383-L396 HydrophobicContact CB-CG 4.01Å; I383-L396 HydrophobicContact CD1-CD2 4.31Å; I383-L396 HydrophobicContact CG2-CD1 4.38Å; I383-L396 HydrophobicContact CG2-CD2 3.77Å; I383-L396 HydrophobicContact CG2-CG 3.71Å; L396-V398 PolarHBondContact O-N 2.99Å; L396-L399 HydrophobicContact CD2-CD1 4.32Å; L396-L399 PolarHBondContact O-N 2.82Å
397D94.4Very high94.5Very high105 Ų10562 Ų6256%0.56131%0.306SS*.G310 helixtrans-70.3-0.4176.788.5-59.1000114.5R353 P395R353-D397 IonicContact CZ-OD2 3.21Å; R353-D397 IonicContact NE-OD2 2.73Å; R353-D397 IonicContact NH2-OD1 2.82Å; R353-D397 IonicContact NH2-OD2 3.97Å; R353-D397 PolarHBondContact NH2-OD2 3.06Å; P395-D397 WeakPolarHBondContact CB-OD1 3.25Å
398V96.1Very high94.5Very high0 Ų065.9 Ų65.90%033%0.325CS..G310 helixtrans-113.17.9170.9-46.40000113.1C351 V352 R353 F355 I394 P395 L396C351-V398 CarbonylContact C-O 3.52Å; C351-V398 VanDerWaalsContact CA-O 3.26Å; C351-V398 WeakPolarHBondContact CA-O 3.49Å; C351-V398 PolarHBondContact SG-O 3.08Å; C351-V398 VanDerWaalsContact SG-O 3.36Å; V352-V398 PolarHBondContact N-O 3.03Å; R353-V398 HydrophobicContact CG-CB 3.91Å; R353-V398 HydrophobicContact CG-CG1 3.78Å; F355-V398 HydrophobicContact CB-CB 4.47Å; F355-V398 HydrophobicContact CB-CG1 4.36Å; F355-V398 HydrophobicContact CB-CG2 3.96Å; F355-V398 HydrophobicContact CD2-CG1 4.49Å; F355-V398 HydrophobicContact CG-CG2 4.36Å; I394-V398 HydrophobicContact CD1-CG2 3.52Å; I394-V398 HydrophobicContact CG1-CG2 3.41Å; I394-V398 VanDerWaalsContact CG1-CG2 3.41Å; P395-V398 HydrophobicContact CB-CG1 4.46Å; P395-V398 WeakPolarHBondContact O-CG2 3.16Å; L396-V398 PolarHBondContact O-N 2.99Å
399L96.4Very high94.7Very high20 Ų2069.2 Ų69.211%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-120.6150.3-179.9-63.6-175.2000111.9F349 R350 C351 I383 V385 I394 L396F349-L399 HydrophobicContact CB-CB 4.18Å; F349-L399 HydrophobicContact CB-CD1 4.02Å; F349-L399 HydrophobicContact CB-CD2 4.05Å; F349-L399 HydrophobicContact CB-CG 4.32Å; F349-L399 HydrophobicContact CD1-CB 3.92Å; F349-L399 HydrophobicContact CD1-CD1 4.11Å; F349-L399 HydrophobicContact CD2-CD1 4.32Å; F349-L399 HydrophobicContact CG-CB 4.3Å; F349-L399 HydrophobicContact CG-CD1 3.91Å; R350-L399 WeakPolarHBondContact O-CA 3.11Å; C351-L399 HydrophobicContact CB-CD2 4.17Å; I383-L399 HydrophobicContact CG2-CD1 3.53Å; V385-L399 HydrophobicContact CG1-CD1 3.96Å; I394-L399 HydrophobicContact CD1-CD2 4.2Å; I394-L399 HydrophobicContact CG2-CD1 3.72Å; I394-L399 HydrophobicContact CG2-CD2 4.37Å; I394-L399 HydrophobicContact CG2-CG 4.18Å; L396-L399 HydrophobicContact CD2-CD1 4.32Å; L396-L399 PolarHBondContact O-N 2.82Å
400E96.4Very high95Very high76 Ų7657.4 Ų57.436%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-132.1129.6173.8170.2-170.5-155.400107F349 R350 V352 I402F349-E400 CarbonylContact C-O 3.59Å; F349-E400 VanDerWaalsContact CA-O 3.24Å; F349-E400 WeakPolarHBondContact CA-O 3.38Å; R350-E400 IonicContact CZ-OE1 3.48Å; R350-E400 IonicContact CZ-OE2 2.71Å; R350-E400 PolarHBondContact N-O 2.87Å; R350-E400 IonicContact NE-OE2 3.68Å; R350-E400 PolarHBondContact NE-OE2 3.45Å; R350-E400 IonicContact NH2-OE1 3.32Å; R350-E400 PolarHBondContact NH2-OE1 2.82Å; R350-E400 IonicContact NH2-OE2 2.96Å; R350-E400 PolarHBondContact NH2-OE2 3.1Å; R350-E400 PolarHBondContact O-N 3.37Å; V352-E400 HydrophobicContact CG1-CB 3.4Å; V352-E400 HydrophobicContact CG1-CG 4.35Å; V352-E400 WeakPolarHBondContact CG1-OE2 3.49Å; E400-I402 HydrophobicContact CG-CG2 4.38Å
401N94.4Very high95.2Very high105 Ų10552.4 Ų52.456%0.56127%0.266SS*.EExtended strand (participates in β ladder)trans-76.8134.5177.2-17159.7000109.1I348 F349I348-N401 WeakPolarHBondContact O-CA 3.37Å; I348-N401 PolarHBondContact O-OD1 3.46Å; F349-N401 HydrophobicContact CD1-CB 4.19Å; F349-N401 HydrophobicContact CE1-CB 4.07Å
402I91.3Very high95.2Very high98 Ų9846.3 Ų46.350%0.50324%0.243SC..  trans-128.20-174.860.9165.3000112.9I348 R350 I371 E400I348-I402 HydrophobicContact CB-CG1 4.03Å; I348-I402 HydrophobicContact CG2-CD1 3.78Å; I348-I402 HydrophobicContact CG2-CG1 3.61Å; I348-I402 PolarHBondContact O-N 2.72Å; I348-I402 VanDerWaalsContact O-N 3.07Å; R350-I402 HydrophobicContact CB-CD1 4.32Å; R350-I402 HydrophobicContact CB-CG2 3.85Å; I371-I402 HydrophobicContact CD1-CD1 3.88Å; E400-I402 HydrophobicContact CG-CG2 4.38Å

Retrieved 402 of 402 residues in 97.5 ms (Link to these results)