A0A096LNZ0_HUMAN Loading...

AP2 associated kinase 1

AlphaFold DB , UniProt , Accession A0A096LNZ0, Species HUMAN (Homo sapiens, Human), Gene AAK1, Length 339 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T49.6Very low52.5Low192 Ų192147.1 Ų147.1100%1.17890%0.895SS**  0103.9036.80000107.7
2Q53.4Low52.7Low192 Ų192143.5 Ų143.590%0.89788%0.881SS**  trans-78.1126.4178.9-68.5-176.648.200108.7L4Q2-L4 PolarHBondContact O-N 3.47Å
3L52.7Low52.6Low175 Ų175144.3 Ų144.392%0.91688%0.875SS**  trans-77.1113.1172.4-85.4154.3000108.4Q5L3-Q5 PolarHBondContact O-N 3.44Å
4L57.2Low52.9Low166 Ų166143.1 Ų143.187%0.86986%0.861SS**  trans-68.6115.4169.3-10572.5000108.6Q2 A6Q2-L4 PolarHBondContact O-N 3.47Å; L4-A6 PolarHBondContact O-N 3.43Å
5Q59.5Low52.8Low196 Ų196146.3 Ų146.392%0.91686%0.859SS**  trans-85.798.9170.5-161.1154.317.500108.1L3 A7L3-Q5 PolarHBondContact O-N 3.44Å; Q5-A7 PolarHBondContact O-N 3Å
6A53.4Low52.8Low98 Ų98143.6 Ų143.681%0.8185%0.85SS**  trans-76.3112.2171.600000108.9L4 A8L4-A6 PolarHBondContact O-N 3.43Å; A6-A8 PolarHBondContact O-N 3.41Å
7A50.5Low52.8Low103 Ų103147 Ų14785%0.85185%0.852SS**  trans-81.6111.4170.300000109Q5Q5-A7 PolarHBondContact O-N 3Å
8A49.5Very low52.6Low97 Ų97145.2 Ų145.280%0.80285%0.849SS**  trans-82.6118.7166.400000108.5A6A6-A8 PolarHBondContact O-N 3.41Å
9A54.2Low52.4Low103 Ų103142.2 Ų142.285%0.85184%0.842SS**  trans-96.9107.2168.400000108.1A11A9-A11 PolarHBondContact O-N 3.32Å
10E45.9Very low52Low194 Ų194141.1 Ų141.191%0.90784%0.837SS**  trans-73.5115.2170.6-64.4-173.7117.100109.1S12E10-S12 PolarHBondContact O-N 3.49Å
11A51.7Low51.8Low102 Ų102140 Ų14084%0.84383%0.832SS**  trans-80.4116.7171.100000109.2A9 L13A9-A11 PolarHBondContact O-N 3.32Å; A11-L13 PolarHBondContact O-N 3.08Å
12S54.6Low51.9Low104 Ų104136 Ų13673%0.72781%0.807SS**  trans-57.3124175.9-169.10000111.4E10 N14E10-S12 PolarHBondContact O-N 3.49Å; S12-N14 PolarHBondContact O-N 3.2Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact O-OD1 3.32Å
13L51.8Low51.5Low154 Ų154132.9 Ų132.981%0.80680%0.804SS**  trans-79.190.2171.6-175.270.5000109A11 K15A11-L13 PolarHBondContact O-N 3.08Å; L13-K15 PolarHBondContact O-N 3.16Å
14N56.4Low51.6Low127 Ų127130.1 Ų130.168%0.67980%0.799SS**  trans-64.9102.8166.231.1-88.2000109.7S12 S16S12-N14 PolarHBondContact O-N 3.2Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact O-OD1 3.32Å; N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.49Å
15K51.5Low50.8Low191 Ų191125.2 Ų125.283%0.8379%0.789SS**  trans-60.190166-70.9177.5176178.50109.4L13 K17L13-K15 PolarHBondContact O-N 3.16Å; K15-K17 PolarHBondContact O-N 3.43Å
16S52.3Low50.1Low103 Ų103121.5 Ų121.572%0.7278%0.784SS**  trans-69.5110.9165.8-61.40000108.3N14 S18N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.49Å; S16-S18 PolarHBondContact O-N 3.48Å
17K54.3Low49.7Very low202 Ų202122.4 Ų122.488%0.87878%0.782SS**  trans-59113.2168-69.8174.8175.9178.60108.3K15 A19K15-K17 PolarHBondContact O-N 3.43Å; K17-A19 PolarHBondContact O-N 3.45Å; K17-A19 VanDerWaalsContact O-N 3.14Å
18S48.3Very low49.8Very low114 Ų114128.8 Ų128.880%0.79778%0.784SS**  trans-65.3109165.3-62.10000108.3S16 T20S16-S18 PolarHBondContact O-N 3.48Å; S18-T20 PolarHBondContact O-N 3.36Å
19A48.1Very low49.7Very low88 Ų88130 Ų13073%0.72778%0.782SS**  trans-75.898.4165.600000107.7K17 T21K17-A19 PolarHBondContact O-N 3.45Å; K17-A19 VanDerWaalsContact O-N 3.14Å; A19-T21 PolarHBondContact O-N 2.95Å; A19-T21 VanDerWaalsContact O-N 3.09Å
20T45.4Very low49.3Very low121 Ų121129.3 Ų129.374%0.74277%0.771SS**  trans-63.3101.6162.3-64.40000107.8S18 T22S18-T20 PolarHBondContact O-N 3.36Å; T20-T22 HydrophobicContact CG2-CG2 4.32Å
21T46.9Very low49.7Very low119 Ų119127.7 Ų127.773%0.7376%0.763SS**  trans-104.787.7167.9134.30000106.6A19A19-T21 PolarHBondContact O-N 2.95Å; A19-T21 VanDerWaalsContact O-N 3.09Å
22T51.4Low49.6Very low106 Ų106130.1 Ų130.165%0.6576%0.757SS**  trans-77.1121157.2370000107.1T20 S24T20-T22 HydrophobicContact CG2-CG2 4.32Å; T22-S24 PolarHBondContact O-N 3.5Å
23P46.2Very low49.5Very low128 Ų128132 Ų13283%0.83176%0.759SS**  trans-77.472.5163.832.7-29.7000107.3G25P23-G25 PolarHBondContact O-N 3.25Å
24S54.3Low49.3Very low117 Ų117130.4 Ų130.482%0.81876%0.755SS**  trans-79.796.2164.4-175.60000107T22T22-S24 PolarHBondContact O-N 3.5Å
25G40.6Very low48.6Very low63 Ų63134.8 Ų134.865%0.64976%0.764SS**  trans-161.658.1-176.500000110.9P23 P27P23-G25 PolarHBondContact O-N 3.25Å; G25-P27 WeakPolarHBondContact O-CD 2.83Å
26S44.8Very low48.4Very low117 Ų117132.3 Ų132.382%0.81876%0.76SS**  trans-59.1121.9160.2-67.40000107.5R28S26-R28 PolarHBondContact O-N 2.77Å
27P46.1Very low47.9Very low118 Ų118131.9 Ų131.977%0.76675%0.754SS**  trans-64.6110.3175.724.5-29.7000107.9G25 T29G25-P27 WeakPolarHBondContact O-CD 2.83Å; P27-T29 PolarHBondContact O-N 2.87Å
28R52Low48.1Very low236 Ų236127.5 Ų127.589%0.89175%0.75SS**  trans-54.4107.8167.2-170.9-178.9-175.4108.2-2.6106.7S26 S30S26-R28 PolarHBondContact O-N 2.77Å; R28-S30 PolarHBondContact O-N 3.38Å
29T47.6Very low48.2Very low123 Ų123130.4 Ų130.476%0.75575%0.75SS**  trans-59.3129.5176101.80000107.3P27 Q31P27-T29 PolarHBondContact O-N 2.87Å; T29-Q31 PolarHBondContact O-N 3.33Å
30S45.3Very low48.4Very low88 Ų88129.6 Ų129.662%0.61575%0.751SS**  trans-63.3115-178.51790000108.7R28 Q32R28-S30 PolarHBondContact O-N 3.38Å; S30-Q32 VanDerWaalsContact C-N 3.34Å; S30-Q32 PolarHBondContact O-N 3.17Å
31Q53.9Low49.1Very low161 Ų161127.6 Ų127.675%0.75274%0.742SS**  trans-62.696.4165.5-69.2-143.255.100109.3T29T29-Q31 PolarHBondContact O-N 3.33Å
32Q49.8Very low49.8Very low153 Ų153126 Ų12672%0.71573%0.732SS**  trans-108.491.2158.425.7-164.2-34.100106.2S30 V34S30-Q32 VanDerWaalsContact C-N 3.34Å; S30-Q32 PolarHBondContact O-N 3.17Å; Q32-V34 VanDerWaalsContact C-N 3.25Å; Q32-V34 PolarHBondContact O-N 2.68Å
33N51.6Low50.4Low143 Ų143131 Ų13177%0.76574%0.739SS**  trans-64.789.1165.2-99.8-66.6000107.6
34V47.7Very low51.2Low121 Ų121127 Ų12773%0.73371%0.711SS**  trans-88.4108.8157.8-177.50000105.5Q32 N36Q32-V34 VanDerWaalsContact C-N 3.25Å; Q32-V34 PolarHBondContact O-N 2.68Å; V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.14Å
35Y42.7Very low51.7Low218 Ų218125.8 Ų125.886%0.85570%0.7SS**  trans-50.8115.8172.4-172.9-96.3000109.5
36N47.2Very low52.5Low140 Ų140130 Ų13075%0.74970%0.701SS**  trans-118142.2171.6-148.931.8000107.7V34V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.14Å
37P42.5Very low53Low93 Ų93129.4 Ų129.460%0.60469%0.688SS**  trans-68.3155.7-170.931.8-31.3000110.3E39P37-E39 VanDerWaalsContact C-N 3.32Å; P37-E39 PolarHBondContact O-N 3.02Å
38S58Low53.6Low111 Ų111128.4 Ų128.478%0.77668%0.676SS**SBendtrans-42.564.6-170.2-510000118.6
39E50.7Low54.5Low174 Ų174120.6 Ų120.681%0.81365%0.653SS**  trans-153.969.4168.7-32.4-82.216500108.2P37 S41P37-E39 VanDerWaalsContact C-N 3.32Å; P37-E39 PolarHBondContact O-N 3.02Å; E39-S41 PolarHBondContact O-N 3.15Å
40G51Low55.9Low71 Ų71120.3 Ų120.373%0.73265%0.646SS**  trans-64.686.1163.200000107.8T42G40-T42 PolarHBondContact O-N 2.94Å; G40-T42 PolarHBondContact O-OG1 3.05Å
41S60.1Low57.1Low80 Ų80121.9 Ų121.956%0.55964%0.642SS**  trans-61.682.4156.8-178.50000105.5E39 W43E39-S41 PolarHBondContact O-N 3.15Å; S41-W43 PolarHBondContact O-N 2.9Å
42T63.3Low58Low86 Ų86119 Ų11953%0.52864%0.64SS.*  trans-65.484.9169.2-60.90000103.3G40 N44G40-T42 PolarHBondContact O-N 2.94Å; G40-T42 PolarHBondContact O-OG1 3.05Å; T42-N44 PolarHBondContact O-N 2.86Å
43W62.2Low59.1Low209 Ų209119.9 Ų119.979%0.79264%0.642SS**  trans-65.673.6169.9-104.593.8000107.9S41S41-W43 PolarHBondContact O-N 2.9Å
44N64.4Low60.3Low45 Ų45115.3 Ų115.324%0.24162%0.617CS.*  trans-93.8113.8148.8-175.3-17.8000105.4T42 F46 D47 D48T42-N44 PolarHBondContact O-N 2.86Å; N44-F46 PolarHBondContact O-N 3.17Å; N44-F46 WeakPolarHBondContact OD1-CA 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.09Å; N44-F46 PolarHBondContact OD1-N 3.23Å; N44-D47 HydrophobicContact CB-CB 3.47Å; N44-D47 VanDerWaalsContact CB-CB 3.47Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD1 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.4Å; N44-D47 PolarHBondContact O-N 3.17Å; N44-D47 PolarHBondContact OD1-N 3.19Å; N44-D48 PolarHBondContact O-N 3.09Å
45P64.6Low62Low91 Ų91112.6 Ų112.659%0.59160%0.601SS**THydrogen-bonded Turntrans-59-6.1175.725.4-33.5000113.5
46F56.2Low63.8Low153 Ų153105.1 Ų105.167%0.67158%0.584SS**THydrogen-bonded Turntrans-121.1-14.9173.5-52.4-77.3000115N44 D49N44-F46 PolarHBondContact O-N 3.17Å; N44-F46 WeakPolarHBondContact OD1-CA 3.33Å; N44-F46 WeakPolarHBondContact OD1-CB 3.09Å; N44-F46 PolarHBondContact OD1-N 3.23Å; F46-D49 WeakPolarHBondContact O-CB 3.07Å
47D55Low65.4Low103 Ų103104.3 Ų104.355%0.55158%0.575SS**THydrogen-bonded Turntrans-88.3-25177.2-60.5-32.1000112.4N44 D49N44-D47 HydrophobicContact CB-CB 3.47Å; N44-D47 VanDerWaalsContact CB-CB 3.47Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD1 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.4Å; N44-D47 PolarHBondContact O-N 3.17Å; N44-D47 PolarHBondContact OD1-N 3.19Å; D47-D49 PolarHBondContact O-N 3.14Å
48D58.8Low67.3Low97 Ų97103.6 Ų103.652%0.51956%0.564SS.*SBendtrans-77.85.1170.3-83.8-16.7000112N44 N50N44-D48 PolarHBondContact O-N 3.09Å; D48-N50 PolarHBondContact O-N 3.2Å; D48-N50 VanDerWaalsContact O-N 3.09Å
49D72.7Confident68.6Low73 Ų73102.5 Ų102.539%0.3955%0.549SS..  trans-73.2106.1178.3-146.216000109F46 D47 F51 S52F46-D49 WeakPolarHBondContact O-CB 3.07Å; D47-D49 PolarHBondContact O-N 3.14Å; D49-F51 HydrophobicContact CB-CD2 4.28Å; D49-F51 PolarHBondContact O-N 3.2Å; D49-F51 WeakPolarHBondContact OD1-CD2 3.2Å; D49-F51 VanDerWaalsContact OD1-CE2 3.22Å; D49-F51 WeakPolarHBondContact OD1-CE2 3Å; D49-F51 WeakPolarHBondContact OD2-CD2 3.39Å; D49-S52 PolarHBondContact O-N 3.2Å
50N75.6Confident70.3Confident116 Ų116100.9 Ų100.962%0.6255%0.546SS*.G310 helixtrans-57.4-9.5-177.4-70.3-64.4000113.6D48 S52 K53D48-N50 PolarHBondContact O-N 3.2Å; D48-N50 VanDerWaalsContact O-N 3.09Å; N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.91Å; N50-K53 PolarHBondContact O-N 3.01Å
51F70.4Confident71.9Confident121 Ų121101.7 Ų101.753%0.53153%0.533SS..G310 helixtrans-62.9-32.8171.5-62.2-96000112.7D49 K53 L54 L59D49-F51 HydrophobicContact CB-CD2 4.28Å; D49-F51 PolarHBondContact O-N 3.2Å; D49-F51 WeakPolarHBondContact OD1-CD2 3.2Å; D49-F51 VanDerWaalsContact OD1-CE2 3.22Å; D49-F51 WeakPolarHBondContact OD1-CE2 3Å; D49-F51 WeakPolarHBondContact OD2-CD2 3.39Å; F51-K53 PolarHBondContact O-N 2.77Å; F51-L54 PolarHBondContact O-N 3.42Å; F51-L54 VanDerWaalsContact O-N 3.12Å; F51-L59 HydrophobicContact CD1-CD2 4.15Å
52S73.4Confident72.9Confident101 Ų101107 Ų10771%0.70655%0.546SS*.G310 helixtrans-68.6-16.7177.9-63.60000112.9D49 N50D49-S52 PolarHBondContact O-N 3.2Å; N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.91Å
53K72.4Confident73.7Confident172 Ų172106.9 Ų106.975%0.74854%0.542SS*.G310 helixtrans-91.1-12174.8-72.2-179.8170.2171.20113.3N50 F51N50-K53 PolarHBondContact O-N 3.01Å; F51-K53 PolarHBondContact O-N 2.77Å
54L78.3Confident74.2Confident46 Ų46101.3 Ų101.324%0.24152%0.524CS..SBendtrans-81.3132.3176.9-62.1174.1000108.8F51 E58 L59 F64F51-L54 PolarHBondContact O-N 3.42Å; F51-L54 VanDerWaalsContact O-N 3.12Å; L54-E58 WeakPolarHBondContact CA-OE2 3.19Å; L54-E58 HydrophobicContact CB-CB 4.22Å; L54-E58 HydrophobicContact CD2-CB 4.27Å; L54-L59 HydrophobicContact CB-CD1 4.43Å; L54-L59 HydrophobicContact CB-CD2 3.97Å; L54-L59 HydrophobicContact CB-CG 3.79Å; L54-L59 HydrophobicContact CD1-CD2 3.53Å; L54-L59 HydrophobicContact CD1-CG 4.25Å; L54-L59 HydrophobicContact CG-CD2 4.4Å; L54-F64 HydrophobicContact CD1-CE1 4.12Å; L54-F64 HydrophobicContact CD1-CE2 4.09Å; L54-F64 HydrophobicContact CD1-CZ 3.4Å; L54-F64 HydrophobicContact CD2-CE2 4.38Å; L54-F64 HydrophobicContact CD2-CZ 3.92Å; L54-F64 HydrophobicContact CG-CZ 4.32Å
55T82.2Confident74.5Confident65 Ų65103.8 Ų103.840%0.39955%0.55SS.*  trans-68.2157.6169.678.80000109.7E57 E58 L59T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.24Å; T55-E57 VanDerWaalsContact O-N 3.15Å; T55-E57 PolarHBondContact OG1-OE2 2.98Å; T55-E58 PolarHBondContact N-OE2 3.24Å; T55-E58 WeakPolarHBondContact O-CA 3.37Å; T55-E58 WeakPolarHBondContact O-CB 3.04Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 WeakPolarHBondContact OG1-CG 3.44Å; T55-E58 PolarHBondContact OG1-N 2.87Å; T55-L59 PolarHBondContact O-N 3.13Å
56A80.8Confident74.4Confident61 Ų61105.6 Ų105.650%0.50455%0.549SS..Hα-helixtrans-58.8-30.1179.100000111.7L60A56-L60 WeakPolarHBondContact O-CB 3.31Å; A56-L60 WeakPolarHBondContact O-CD1 3.19Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.14Å; A56-L60 VanDerWaalsContact O-N 3.14Å
57E80.3Confident74.7Confident122 Ų122103.9 Ų103.957%0.5755%0.546SS*.Hα-helixtrans-67.9-42.2174.3-52.575.1-159.100111.2T55 L60 N61T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.24Å; T55-E57 VanDerWaalsContact O-N 3.15Å; T55-E57 PolarHBondContact OG1-OE2 2.98Å; E57-L60 PolarHBondContact O-N 2.83Å; E57-N61 PolarHBondContact O-N 3.17Å; E57-N61 PolarHBondContact O-ND2 2.98Å; E57-N61 PolarHBondContact O-OD1 3.49Å
58E83.6Confident74.9Confident78 Ų78102.8 Ų102.836%0.36456%0.559SS.*Hα-helixtrans-64-40.5176.3-68.8174.8135.400111.8L54 T55 L60 N61 F64L54-E58 WeakPolarHBondContact CA-OE2 3.19Å; L54-E58 HydrophobicContact CB-CB 4.22Å; L54-E58 HydrophobicContact CD2-CB 4.27Å; T55-E58 PolarHBondContact N-OE2 3.24Å; T55-E58 WeakPolarHBondContact O-CA 3.37Å; T55-E58 WeakPolarHBondContact O-CB 3.04Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 WeakPolarHBondContact OG1-CG 3.44Å; T55-E58 PolarHBondContact OG1-N 2.87Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.96Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.18Å; E58-F64 WeakPolarHBondContact O-CD2 3.44Å; E58-F64 WeakPolarHBondContact O-CE2 3.33Å
59L83.6Confident74.7Confident88 Ų88106.6 Ų106.646%0.46157%0.574SS.*Hα-helixtrans-65.2-30.5174.8-72.2170.1000113.2F51 L54 T55F51-L59 HydrophobicContact CD1-CD2 4.15Å; L54-L59 HydrophobicContact CB-CD1 4.43Å; L54-L59 HydrophobicContact CB-CD2 3.97Å; L54-L59 HydrophobicContact CB-CG 3.79Å; L54-L59 HydrophobicContact CD1-CD2 3.53Å; L54-L59 HydrophobicContact CD1-CG 4.25Å; L54-L59 HydrophobicContact CG-CD2 4.4Å; T55-L59 PolarHBondContact O-N 3.13Å
60L87Confident73.5Confident141 Ų141105.8 Ų105.874%0.73858%0.583SS**Hα-helixtrans-89.3-6.5179.7-67.8172.9000113.3A56 E57 E58 K62A56-L60 WeakPolarHBondContact O-CB 3.31Å; A56-L60 WeakPolarHBondContact O-CD1 3.19Å; A56-L60 WeakPolarHBondContact O-CG 3.07Å; A56-L60 PolarHBondContact O-N 3.14Å; A56-L60 VanDerWaalsContact O-N 3.14Å; E57-L60 PolarHBondContact O-N 2.83Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 2.96Å; L60-K62 PolarHBondContact O-N 2.92Å; L60-K62 VanDerWaalsContact O-N 3.13Å
61N84.3Confident72Confident87 Ų87109.7 Ų109.747%0.46559%0.594SS.*  trans-65.1115.7177.6-76.1-26.1000110.1E57 E58 D63 F64E57-N61 PolarHBondContact O-N 3.17Å; E57-N61 PolarHBondContact O-ND2 2.98Å; E57-N61 PolarHBondContact O-OD1 3.49Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.18Å; N61-D63 PolarHBondContact O-N 3.26Å; N61-F64 PolarHBondContact O-N 3.01Å
62K82.1Confident70.5Confident192 Ų192110.2 Ų110.284%0.83560%0.598SS**THydrogen-bonded Turntrans-63.1-10.2178.4-55.8-172.378.1173.50113.4L60L60-K62 PolarHBondContact O-N 2.92Å; L60-K62 VanDerWaalsContact O-N 3.13Å
63D79.2Confident69Low84 Ų84110.9 Ų110.945%0.44960%0.6SS.*THydrogen-bonded Turntrans-83.6-5.6177-64.4-45.8000113.4N61 A65 K66 L67N61-D63 PolarHBondContact O-N 3.26Å; D63-A65 PolarHBondContact O-N 2.96Å; D63-K66 WeakPolarHBondContact O-CA 3.44Å; D63-K66 WeakPolarHBondContact O-CB 3.04Å; D63-K66 PolarHBondContact O-N 3.23Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.09Å; D63-L67 PolarHBondContact O-N 2.9Å
64F74.2Confident67.9Low92 Ų92111.1 Ų111.140%0.40460%0.604SS.*Hα-helixtrans-55.3-39174.1-118.4-90.3000112.7L54 E58 N61 K66 L67L54-F64 HydrophobicContact CD1-CE1 4.12Å; L54-F64 HydrophobicContact CD1-CE2 4.09Å; L54-F64 HydrophobicContact CD1-CZ 3.4Å; L54-F64 HydrophobicContact CD2-CE2 4.38Å; L54-F64 HydrophobicContact CD2-CZ 3.92Å; L54-F64 HydrophobicContact CG-CZ 4.32Å; E58-F64 WeakPolarHBondContact O-CD2 3.44Å; E58-F64 WeakPolarHBondContact O-CE2 3.33Å; N61-F64 PolarHBondContact O-N 3.01Å; F64-K66 PolarHBondContact O-N 3.47Å; F64-K66 VanDerWaalsContact O-N 3.17Å; F64-L67 HydrophobicContact CD2-CD1 4.4Å; F64-L67 HydrophobicContact CE2-CD1 4.5Å; F64-L67 HydrophobicContact CG-CD1 4.47Å; F64-L67 PolarHBondContact O-N 3.01Å; F64-L67 VanDerWaalsContact O-N 3.17Å
65A69.3Low66.6Low97 Ų97117.7 Ų117.780%0.80263%0.63SS**Hα-helixtrans-63.7-18.7175.300000113.4D63D63-A65 PolarHBondContact O-N 2.96Å
66K63.9Low64.9Low129 Ų129122 Ų12256%0.56165%0.65SS**Hα-helixtrans-97.2-15.1178.3-57.8177.4-172159.70112.9D63 F64 G68 E69D63-K66 WeakPolarHBondContact O-CA 3.44Å; D63-K66 WeakPolarHBondContact O-CB 3.04Å; D63-K66 PolarHBondContact O-N 3.23Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.09Å; F64-K66 PolarHBondContact O-N 3.47Å; F64-K66 VanDerWaalsContact O-N 3.17Å; K66-G68 PolarHBondContact O-N 3.09Å; K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 PolarHBondContact O-N 3.46Å
67L60.8Low63.2Low116 Ų116122.6 Ų122.661%0.60766%0.662SS**Hα-helixtrans-70.6-18178.7-64-179.3000112.9D63 F64 E69D63-L67 PolarHBondContact O-N 2.9Å; F64-L67 HydrophobicContact CD2-CD1 4.4Å; F64-L67 HydrophobicContact CE2-CD1 4.5Å; F64-L67 HydrophobicContact CG-CD1 4.47Å; F64-L67 PolarHBondContact O-N 3.01Å; F64-L67 VanDerWaalsContact O-N 3.17Å; L67-E69 PolarHBondContact O-N 3.33Å
68G59.6Low61.7Low81 Ų81120.1 Ų120.184%0.83567%0.67SS**THydrogen-bonded Turntrans-69.1-12166.900000114.4K66K66-G68 PolarHBondContact O-N 3.09Å
69E54.5Low60.2Low177 Ų177118.7 Ų118.783%0.82767%0.668SS**THydrogen-bonded Turntrans-102.40.5-178.8-124.1-172.5-179.500113.4K66 L67 K71K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 PolarHBondContact O-N 3.46Å; L67-E69 PolarHBondContact O-N 3.33Å; E69-K71 PolarHBondContact O-N 3.28Å
70G49.1Very low58.7Low56 Ų56118.4 Ų118.458%0.57768%0.679SS**SBendtrans-93.292.5-179.300000113.3
71K43.9Very low57.3Low197 Ų197118.8 Ų118.886%0.85768%0.677SS**  trans52.677.9160.3-60.3-72.6-178.1170.50115.6E69 P73E69-K71 PolarHBondContact O-N 3.28Å; K71-P73 WeakPolarHBondContact O-CD 3.47Å
72H38.6Very low56.1Low133 Ų133118.6 Ų118.662%0.61668%0.682SS**  trans-45.5112.8149.8178.9-120.5000110.5E74 K75H72-E74 VanDerWaalsContact CE1-CA 3.42Å; H72-E74 WeakPolarHBondContact CE1-CA 3.33Å; H72-E74 WeakPolarHBondContact ND1-CA 3.14Å; H72-E74 PolarHBondContact O-N 3.15Å; H72-K75 PolarHBondContact CE1-N 3.38Å; H72-K75 VanDerWaalsContact CE1-N 3.28Å; H72-K75 PolarHBondContact NE2-N 2.73Å
73P41.2Very low55.1Low115 Ų115116.1 Ų116.175%0.74768%0.677SS**  trans-64.1125.8145.629-29.2000106.1K71 K75K71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-K75 PolarHBondContact O-N 2.96Å
74E48.7Very low54.4Low176 Ų176117 Ų11782%0.82268%0.681SS**SBendtrans-51.9128.5-173.3-70.4174.3130.200113H72H72-E74 VanDerWaalsContact CE1-CA 3.42Å; H72-E74 WeakPolarHBondContact CE1-CA 3.33Å; H72-E74 WeakPolarHBondContact ND1-CA 3.14Å; H72-E74 PolarHBondContact O-N 3.15Å
75K51.9Low53.1Low184 Ų184118.9 Ų118.980%0.870%0.702SS**  trans86.889170.6-62.1-178.9168.1-169.80115.7H72 P73H72-K75 PolarHBondContact CE1-N 3.38Å; H72-K75 VanDerWaalsContact CE1-N 3.28Å; H72-K75 PolarHBondContact NE2-N 2.73Å; P73-K75 PolarHBondContact O-N 2.96Å
76L46.6Very low52.6Low155 Ų155117.7 Ų117.781%0.81270%0.699SS**  trans-155.379135.2-103.6143000107.8G78L76-G78 PolarHBondContact O-N 3.23Å
77G44.7Very low52.1Low74 Ų74119.5 Ų119.576%0.76371%0.708SS**  trans-65.189.7153.800000106.8S79G77-S79 PolarHBondContact O-N 3.24Å
78G49.3Very low51.6Low70 Ų70122.7 Ų122.772%0.72272%0.719SS**  trans-71.369.2173.700000109.9L76L76-G78 PolarHBondContact O-N 3.23Å
79S52.4Low50.9Low48 Ų48124.2 Ų124.234%0.33672%0.718SS.*  trans-78.9134157-169.70000108G77 E81 S82G77-S79 PolarHBondContact O-N 3.24Å; S79-E81 WeakPolarHBondContact CB-OE1 3.22Å; S79-E81 VanDerWaalsContact CB-OE2 3.31Å; S79-E81 WeakPolarHBondContact CB-OE2 3.03Å; S79-E81 PolarHBondContact O-N 3.3Å; S79-E81 PolarHBondContact OG-OE1 3.45Å; S79-E81 PolarHBondContact OG-OE2 3.13Å; S79-S82 PolarHBondContact O-N 2.73Å; S79-S82 PolarHBondContact O-OG 2.72Å
80A52.5Low50.2Low82 Ų82122 Ų12268%0.67872%0.716SS**G310 helixtrans-59.7-8.4-178.400000113.6S82A80-S82 PolarHBondContact O-N 2.74Å
81E57.2Low49.9Very low150 Ų150128.9 Ų128.970%0.70173%0.733SS**G310 helixtrans-67.9-13175.169.8-139.7-171.100114.6S79S79-E81 WeakPolarHBondContact CB-OE1 3.22Å; S79-E81 VanDerWaalsContact CB-OE2 3.31Å; S79-E81 WeakPolarHBondContact CB-OE2 3.03Å; S79-E81 PolarHBondContact O-N 3.3Å; S79-E81 PolarHBondContact OG-OE1 3.45Å; S79-E81 PolarHBondContact OG-OE2 3.13Å
82S57.8Low49.6Very low82 Ų82122.8 Ų122.857%0.57373%0.727SS**G310 helixtrans-90.7-3.8-178.557.50000114.6S79 A80 I84S79-S82 PolarHBondContact O-N 2.73Å; S79-S82 PolarHBondContact O-OG 2.72Å; A80-S82 PolarHBondContact O-N 2.74Å; S82-I84 PolarHBondContact O-N 2.79Å
83L62.4Low49.7Very low140 Ų140124.4 Ų124.473%0.73374%0.74SS**SBendtrans-73.3-7.3-177.9-65.2179.2000114
84I63.2Low49.7Very low103 Ų103122.4 Ų122.453%0.52873%0.733SS.*SBendtrans-125.6101.5178.2-41.1-172.8000110.3S82 G86 F87S82-I84 PolarHBondContact O-N 2.79Å; I84-G86 PolarHBondContact O-N 3.27Å; I84-F87 HydrophobicContact CB-CD2 3.89Å; I84-F87 HydrophobicContact CB-CE2 4.48Å; I84-F87 HydrophobicContact CD1-CD2 4.4Å; I84-F87 HydrophobicContact CG2-CD2 3.42Å; I84-F87 VanDerWaalsContact CG2-CD2 3.42Å; I84-F87 HydrophobicContact CG2-CE2 3.61Å
85P47Very low49.7Very low131 Ų131124.2 Ų124.285%0.85174%0.739SS**THydrogen-bonded Turntrans-59109.2166.7-21.132.7000109.6
86G58.7Low49Very low72 Ų72119.9 Ų119.974%0.74274%0.737SS**THydrogen-bonded Turntrans132-10.5172.800000116.8I84I84-G86 PolarHBondContact O-N 3.27Å
87F54.1Low49.1Very low167 Ų167119.4 Ų119.473%0.73274%0.741SS**  trans-100.995.5176.3-71-89.6000110.4I84 S89I84-F87 HydrophobicContact CB-CD2 3.89Å; I84-F87 HydrophobicContact CB-CE2 4.48Å; I84-F87 HydrophobicContact CD1-CD2 4.4Å; I84-F87 HydrophobicContact CG2-CD2 3.42Å; I84-F87 VanDerWaalsContact CG2-CD2 3.42Å; I84-F87 HydrophobicContact CG2-CE2 3.61Å; F87-S89 PolarHBondContact O-N 2.86Å
88Q51.2Low49.1Very low183 Ų183120.5 Ų120.586%0.85573%0.733SS**  trans-74.1122.2164.6-64.3-158.6-7.100108.6T90Q88-T90 PolarHBondContact O-N 2.71Å; Q88-T90 VanDerWaalsContact O-N 3.09Å
89S43.9Very low48.9Very low114 Ų114122.5 Ų122.580%0.79774%0.736SS**  trans-70.299.6168.348.70000108.7F87 Q91F87-S89 PolarHBondContact O-N 2.86Å; S89-Q91 PolarHBondContact O-N 3Å
90T39.3Very low48.4Very low130 Ų130129 Ų12980%0.79876%0.758SS**  trans-72.796.6167.150.90000108.4Q88 G92Q88-T90 PolarHBondContact O-N 2.71Å; Q88-T90 VanDerWaalsContact O-N 3.09Å; T90-G92 PolarHBondContact O-N 2.93Å
91Q44Very low47.6Very low200 Ų200130.7 Ų130.794%0.93577%0.765SS**  trans-59.4116.5154.9-174.6-177.52.800107.4S89S89-Q91 PolarHBondContact O-N 3Å
92G36.1Very low46.6Very low70 Ų70128.3 Ų128.372%0.72277%0.771SS**  trans-173.2102.4-175.600000113T90T90-G92 PolarHBondContact O-N 2.93Å
93D40.9Very low45.5Very low166 Ų166128.1 Ų128.189%0.88878%0.782SS**  trans-55.2162.6171.2-157.44.2000113.4
94A42.5Very low44.3Very low73 Ų73128 Ų12860%0.60379%0.787SS**  trans78.2116.6162.900000120.8
95F47.4Very low42.8Very low215 Ų215129.9 Ų129.994%0.94380%0.799SS**  trans15.5106.5139.5-57.9-90.5000118.2
96A38.3Very low42.8Very low93 Ų93130.6 Ų130.677%0.76979%0.794SS**  trans-153.7104.6147.600000110.8T98A96-T98 PolarHBondContact O-N 2.83Å
97T47.6Very low41.7Very low144 Ų144135.1 Ų135.188%0.88380%0.796SS**  trans-49.9130.7155.646.40000110.3
98T45.2Very low41.3Very low98 Ų98137.7 Ų137.760%0.60180%0.801SS**  trans-148.7104.8147.3-177.70000110.7A96 F100A96-T98 PolarHBondContact O-N 2.83Å; T98-F100 HydrophobicContact CG2-CE2 3.61Å; T98-F100 HydrophobicContact CG2-CZ 4.05Å; T98-F100 WeakPolarHBondContact OG1-CE2 2.99Å; T98-F100 WeakPolarHBondContact OG1-CZ 3.46Å
99S46.1Very low40.6Very low112 Ų112136.9 Ų136.978%0.78380%0.797SS**  trans-51.9137.5162.3-68.40000110.9
100F40Very low40.5Very low184 Ų184136.5 Ų136.581%0.80780%0.795SS**  trans-138.6144.8149.1-55.4-74.2000111.3T98T98-F100 HydrophobicContact CG2-CE2 3.61Å; T98-F100 HydrophobicContact CG2-CZ 4.05Å; T98-F100 WeakPolarHBondContact OG1-CE2 2.99Å; T98-F100 WeakPolarHBondContact OG1-CZ 3.46Å
101S36.6Very low40.5Very low118 Ų118137.3 Ų137.383%0.82579%0.794SS**  trans-77.6147-151.7-1690000114.5
102A36.8Very low40.7Very low100 Ų100133.4 Ų133.483%0.82679%0.786SS**  trans-58.6139.215400000110.1
103G34.2Very low40.8Very low78 Ų78135.2 Ų135.280%0.80479%0.787SS**  trans-173.4126.4176.300000110.7
104T37.4Very low40.9Very low137 Ų137133.3 Ų133.384%0.8478%0.783SS**  trans-71.9151.5-174.242.20000115
105D31.4Very low40.8Very low143 Ų143135.7 Ų135.777%0.76579%0.79SS**  trans83.9132.2139.7-114.9-15.2000122.8
106L46.2Very low40.8Very low145 Ų145133.3 Ų133.376%0.75979%0.785SS**  trans72141155.3-53.5177.3000122.1
107Q36.5Very low41.1Very low167 Ų167133.9 Ų133.978%0.7878%0.779SS**  trans97.898.5160.3-67.3-71.4-51.800118.7
108R46.6Very low41Very low221 Ų221133 Ų13383%0.83477%0.774SS**  trans-5117.9131.6177.2-175.6-70.6166.4-2.2113.5
109E36.2Very low40.9Very low166 Ų166136.2 Ų136.278%0.77678%0.782SS**  trans-156.9134.2140.1-153.17516800108.7N111E109-N111 PolarHBondContact O-N 3.39Å
110S42Very low40.6Very low107 Ų107139 Ų13975%0.74878%0.782SS**PPolyproline II helixtrans-62121.8-177.5161.10000111.8
111N37.8Very low40.6Very low147 Ų147139.6 Ų139.679%0.78679%0.785SS**PPolyproline II helixtrans-73.2127.2168.3-69-63.9000109.9E109 C113E109-N111 PolarHBondContact O-N 3.39Å; N111-C113 PolarHBondContact O-N 2.55Å
112P48.1Very low41Very low117 Ų117143 Ų14376%0.7679%0.785SS**PPolyproline II helixtrans-74.3123.5-176.829.5-32000110.5
113C38.8Very low40.8Very low109 Ų109146.7 Ų146.774%0.73679%0.785SS**PPolyproline II helixtrans-65.5134.9166.3-47.50000108.6N111 V115N111-C113 PolarHBondContact O-N 2.55Å; C113-V115 PolarHBondContact O-N 2.78Å
114P42.8Very low41.2Very low126 Ų126148.5 Ų148.582%0.81879%0.785SS**  trans-66.5107.9169.726.3-31000108.9I116P114-I116 PolarHBondContact O-N 2.66Å
115V40.7Very low41.2Very low122 Ų122150.3 Ų150.374%0.73979%0.788SS**  trans-70106167.2174.50000107C113 T117C113-V115 PolarHBondContact O-N 2.78Å; V115-T117 HydrophobicContact CG1-CG2 4.11Å; V115-T117 PolarHBondContact O-N 2.66Å; V115-T117 VanDerWaalsContact O-N 3.08Å
116I47.5Very low41.4Very low166 Ų166146.1 Ų146.185%0.85178%0.779SS**  trans-69.298.3165.413.6170.3000107.4P114 V118P114-I116 PolarHBondContact O-N 2.66Å; I116-V118 PolarHBondContact O-N 3.29Å
117T45.9Very low41.1Very low105 Ų105145 Ų14564%0.64478%0.778SS**  trans-73116.4167.950.10000108.4V115 E119V115-T117 HydrophobicContact CG1-CG2 4.11Å; V115-T117 PolarHBondContact O-N 2.66Å; V115-T117 VanDerWaalsContact O-N 3.08Å; T117-E119 PolarHBondContact O-N 3.05Å
118V44.2Very low41.3Very low126 Ų126145 Ų14576%0.76478%0.776SS**  trans-72.4104.1164.1175.60000106.6I116 H120I116-V118 PolarHBondContact O-N 3.29Å; V118-H120 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact O-N 3.17Å
119E44.1Very low40.9Very low164 Ų164138 Ų13877%0.76677%0.773SS**PPolyproline II helixtrans-60.4116.9169.4-82.2-66.317600109.2T117 F121T117-E119 PolarHBondContact O-N 3.05Å; E119-F121 PolarHBondContact O-N 2.88Å
120H40.3Very low41.3Very low170 Ų170138.1 Ų138.179%0.78778%0.777SS**PPolyproline II helixtrans-63.4116.6170.8-81.3-154000108.4V118 K122V118-H120 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact O-N 3.17Å; H120-K122 PolarHBondContact O-N 2.81Å
121F38.3Very low41.7Very low197 Ų197138.8 Ų138.886%0.86478%0.779SS**PPolyproline II helixtrans-62.7121.8169.267.9-88.4000108.6E119 E123E119-F121 PolarHBondContact O-N 2.88Å; F121-E123 PolarHBondContact O-N 2.88Å
122K46.3Very low41.9Very low190 Ų190140 Ų14083%0.82679%0.785SS**  trans-72.3115.4-179.5-172170.3-179.7174.50109.6H120 S124H120-K122 PolarHBondContact O-N 2.81Å; K122-S124 PolarHBondContact O-N 3.3Å
123E32.3Very low41.2Very low178 Ų178145.1 Ų145.183%0.83279%0.791SS**  trans-40.2117.2161.9-175.1158.9-160.200111.3F121F121-E123 PolarHBondContact O-N 2.88Å
124S42.6Very low41.8Very low115 Ų115144.4 Ų144.480%0.80479%0.785SS**  trans-109.5110.9174.9-71.90000110K122K122-S124 PolarHBondContact O-N 3.3Å
125L36.8Very low41.5Very low175 Ų175144.2 Ų144.292%0.91678%0.777SS**  trans-61.5127.2176.4-156.999.5000111.9
126G36.8Very low41.9Very low55 Ų55144.6 Ų144.657%0.56778%0.782SS**  trans87.973.8139.500000120K128G126-K128 PolarHBondContact O-NZ 3.28Å
127V38.9Very low41.9Very low123 Ų123140.9 Ų140.975%0.74577%0.771SS**  trans-135.995.1156.4-159.60000111.2
128K40.9Very low41.8Very low166 Ų166146.9 Ų146.972%0.72278%0.782SS**  trans-0.4124.9146.943.1-89.8165.4-150.50115.6G126G126-K128 PolarHBondContact O-NZ 3.28Å
129G37.3Very low41.7Very low75 Ų75147.3 Ų147.377%0.77378%0.784SS**  trans-66.5161.1-166.500000117.2
130L46.2Very low41.7Very low167 Ų167145.1 Ų145.187%0.87478%0.784SS**  trans-144.5144.2160.3-74.4178.9000109.1
131P48.6Very low41.3Very low122 Ų122140.6 Ų140.679%0.79278%0.783SS**PPolyproline II helixtrans-71.9142.3-171.928.3-33.7000112.6
132L42.5Very low41.5Very low173 Ų173138 Ų13891%0.90678%0.783SS**PPolyproline II helixtrans-57.4142.5172.4-67.8164.8000111.2
133Y34.6Very low41.3Very low223 Ų223138.4 Ų138.488%0.87579%0.785SS**PPolyproline II helixtrans-64.9155.3-176.8-169.3-97.5000112.9
134P50.4Low41.9Very low95 Ų95136.2 Ų136.262%0.61778%0.784SS**PPolyproline II helixtrans-73.8141.2-162.7-1732.3000115.9
135D37.1Very low42Very low121 Ų121139 Ų13965%0.64778%0.784SS**PPolyproline II helixtrans-63.9122164.2175.425.9000111S137D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.2Å; D135-S137 PolarHBondContact OD2-OG 2.94Å
136P48.1Very low42.5Very low131 Ų131138.6 Ų138.685%0.85178%0.784SS**SBendtrans-84.570.7-179.835.5-33.1000110.5
137S48Very low42.7Very low87 Ų87142.5 Ų142.561%0.60879%0.791SS**  trans-140.211.8179.676.90000116.1D135D135-S137 VanDerWaalsContact C-N 3.32Å; D135-S137 PolarHBondContact O-N 3.2Å; D135-S137 PolarHBondContact OD2-OG 2.94Å
138R43.5Very low43.2Very low232 Ų232144 Ų14488%0.87579%0.794SS**  trans-11697.2178.7-165173.6-68.8-129.1-0.6113.1
139V42.7Very low43.5Very low135 Ų135143.4 Ų143.482%0.81879%0.794SS**PPolyproline II helixtrans-77.1130.2162.9-170.40000108.5
140P43.3Very low44Very low118 Ų118145.9 Ų145.977%0.76680%0.799SS**PPolyproline II helixtrans-66.1134.1-179.3-22.533.9000113
141G33.2Very low44.1Very low74 Ų74145 Ų14576%0.76380%0.796SS**PPolyproline II helixtrans-67.2153.2-174.500000115.2
142T40.8Very low44.1Very low142 Ų142149.7 Ų149.787%0.87180%0.799SS**  trans-134.8139.6151.154.20000109.1
143K43.6Very low44.7Very low199 Ų199149 Ų14987%0.86580%0.795SS**  trans-53142.6-17877.7-167.3-171.4-173.90111.9
144T43.8Very low45.6Very low133 Ų133143.3 Ų143.382%0.81680%0.795SS**  trans-168.3135.2131.6-66.50000107.9
145Q44.9Very low45.7Very low172 Ų172149.8 Ų149.880%0.80481%0.807SS**  trans-46.4144.5174.8-69.2162.2-109.400112.2
146N47.2Very low46.1Very low168 Ų168151.8 Ų151.890%0.89882%0.818SS**  -167.8139.4120.7-76.5-32.8000109.7
147N40.7Very low46.3Very low137 Ų137148.3 Ų148.373%0.73381%0.806SS**  trans-108.6129.7-170.6-176.3-74.8000106.2
148L49.3Very low46.9Very low154 Ų154150.7 Ų150.781%0.80682%0.819SS**  trans-179.3134.4138-126.368.9000111.9
149E48.7Very low47.2Very low153 Ų153144.1 Ų144.172%0.71581%0.808SS**  trans-37.1138.4169.5-80.790.1139.600116.2
150S47Very low47.5Very low127 Ų127143.1 Ų143.189%0.88881%0.807SS**  trans-158.774.4144.4-72.50000109.4
151D49.1Very low47.8Very low148 Ų148144.3 Ų144.379%0.79181%0.807SS**  trans-97.771.7173.3-160.110.1000108.8
152Y47Very low48.7Very low222 Ų222146.1 Ų146.187%0.87181%0.808SS**  trans-154.1106.1167.4-78.7-77.7000109.7
153L55.1Low49.3Very low157 Ų157144.5 Ų144.582%0.82280%0.803SS**  trans158.488.3133.5-79.8-178.9000108.8R155L153-R155 PolarHBondContact O-N 2.73Å
154A54.6Low49.4Very low104 Ų104144.3 Ų144.386%0.8680%0.802SS**  trans-54.4117150.700000108.7
155R52Low49.5Very low232 Ų232145.7 Ų145.788%0.87580%0.799SS**  trans-131.497162.3-90.9-88.4-174.1151.10.6106.8L153L153-R155 PolarHBondContact O-N 2.73Å
156D44.9Very low50Low163 Ų163142.6 Ų142.687%0.87280%0.797SS**  trans-36.1136.8165-92.8-38.8000112.4
157G53.8Low50.4Low58 Ų58137.5 Ų137.560%0.59877%0.774SS**  trans-62145.2161.200000109.8S159G157-S159 PolarHBondContact O-N 2.87Å
158P59.3Low51.2Low137 Ų137139 Ų13989%0.8978%0.777SS**  trans-67.7102.7-178.825.2-30000110.4
159S49.9Very low51.4Low93 Ų93138.7 Ų138.765%0.6577%0.771SS**  trans-52.8130.4162.4177.30000110.5G157 N161G157-S159 PolarHBondContact O-N 2.87Å; S159-N161 PolarHBondContact O-N 3.37Å
160S49.7Very low52Low114 Ų114140.1 Ų140.180%0.79778%0.778SS**  trans-53.7119.8162.9-54.70000109.6
161N49.5Very low52.4Low143 Ų143137.2 Ų137.277%0.76577%0.768SS**  trans-146.4121.7157.9-82.5-29.4000108.7S159S159-N161 PolarHBondContact O-N 3.37Å
162S52.7Low52.5Low113 Ų113136.4 Ų136.479%0.7977%0.768SS**  trans-45.4135.1166.950.70000113.2
163S51.5Low53Low108 Ų108133 Ų13376%0.75577%0.765SS**  trans-131.598.3156.1-174.40000108.8
164F46.7Very low53Low194 Ų194132.8 Ų132.885%0.85176%0.764SS**  trans-75.5114.3155.6-93.3-92.5000106.7
165H45Very low53.3Low162 Ų162137 Ų13775%0.7577%0.767SS**  trans-111.6103.4157.5-132.2-70.3000106.9S167H165-S167 PolarHBondContact ND1-OG 3.23Å
166S57.1Low53.6Low108 Ų108129.1 Ų129.176%0.75576%0.757SS**  trans-117119.6160.6-64.60000106.4
167S54.3Low54.3Low61 Ų61127 Ų12743%0.42775%0.745SS.*  trans-177.6109.5169.554.60000105.2H165H165-S167 PolarHBondContact ND1-OG 3.23Å
168E58.8Low54.8Low168 Ų168133.5 Ų133.579%0.78576%0.763SS**  68.6137.3101.791.6-166.997.500110.8
169E52.5Low54.9Low148 Ų148132.9 Ų132.969%0.69275%0.751SS**  cis-172.2161.622.558.5-169.8163.600107.4
170E60.5Low55.5Low182 Ų182134.6 Ų134.685%0.8575%0.753SS**  trans70113.4141.9-151.5156.8134.400117.4
171G56.1Low55.5Low66 Ų66135.4 Ų135.468%0.6876%0.757SS**  118.488.153.900000108.5
172T51.8Low56Low131 Ų131132.9 Ų132.980%0.80475%0.751SS**  trans-151.2112.4149.753.20000109.2L174T172-L174 PolarHBondContact O-N 3.35Å
173D57.6Low56.3Low150 Ų150130.5 Ų130.580%0.80274%0.744SS**  trans-42.6114.7153173.827.3000110.5
174L54.8Low56.7Low154 Ų154131 Ų13181%0.80675%0.748SS**  trans-141103.1157-132.293.6000106.5T172 G176T172-L174 PolarHBondContact O-N 3.35Å; L174-G176 PolarHBondContact O-N 3.09Å; L174-G176 VanDerWaalsContact O-N 3.1Å
175E60.9Low57.6Low193 Ų193132 Ų13290%0.90275%0.746SS**  trans-44.1117.2156.2-90.8-139.4140.500109
176G58Low58.3Low65 Ų65130 Ų13067%0.6775%0.748SS**  trans-162.370.2-176.200000109.2L174L174-G176 PolarHBondContact O-N 3.09Å; L174-G176 VanDerWaalsContact O-N 3.1Å
177D60.1Low58.4Low118 Ų118131.7 Ų131.763%0.63175%0.747SS**  trans50.992.2141.3-151.68.6000116.1L179D177-L179 HydrophobicContact CB-CG 4.14Å; D177-L179 VanDerWaalsContact CG-CD2 3.41Å; D177-L179 PolarHBondContact O-N 2.84Å; D177-L179 VanDerWaalsContact OD1-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD1-CD2 3.16Å; D177-L179 WeakPolarHBondContact OD2-CD1 3.45Å; D177-L179 WeakPolarHBondContact OD2-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD2-CG 3.24Å
178M64.1Low58.8Low195 Ų195136.4 Ų136.496%0.96177%0.767SS**  trans-67.374.9162.3-70.1-179.1-62.700109.2D180M178-D180 PolarHBondContact O-N 2.97Å
179L60.7Low58.8Low124 Ų124136 Ų13665%0.64977%0.767SS**  trans-72.396.6172.1-68.1176.6000109.6D177D177-L179 HydrophobicContact CB-CG 4.14Å; D177-L179 VanDerWaalsContact CG-CD2 3.41Å; D177-L179 PolarHBondContact O-N 2.84Å; D177-L179 VanDerWaalsContact OD1-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD1-CD2 3.16Å; D177-L179 WeakPolarHBondContact OD2-CD1 3.45Å; D177-L179 WeakPolarHBondContact OD2-CD2 3.26Å; D177-L179 WeakPolarHBondContact OD2-CG 3.24Å
180D62.1Low59.1Low129 Ų129136.3 Ų136.369%0.6977%0.768SS**  trans34.190.8132-16713.4000116.6M178 S182M178-D180 PolarHBondContact O-N 2.97Å; D180-S182 VanDerWaalsContact C-N 3.27Å; D180-S182 PolarHBondContact O-N 3.01Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 3.45Å
181C51.2Low58.9Low132 Ų132132.3 Ų132.389%0.89276%0.761SS**  trans-92.439.2162.8-67.20000111.8G183C181-G183 PolarHBondContact O-N 3.29Å
182S58.7Low58.8Low89 Ų89137 Ų13762%0.62276%0.764SS**  trans-78.960.9162.6-162.70000110D180 S184D180-S182 VanDerWaalsContact C-N 3.27Å; D180-S182 PolarHBondContact O-N 3.01Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 WeakPolarHBondContact OD1-CB 3.45Å; D180-S182 PolarHBondContact OD1-N 3.45Å; S182-S184 PolarHBondContact O-N 3.49Å
183G60.3Low59.1Low63 Ų63138.7 Ų138.765%0.64976%0.763SS**  trans-83.6108173.300000110.6C181C181-G183 PolarHBondContact O-N 3.29Å
184S59.4Low59.1Low120 Ų120141.2 Ų141.284%0.83977%0.77SS**  trans88.853.9155.9-41.20000117.9S182S182-S184 PolarHBondContact O-N 3.49Å
185R65.2Low59.1Low214 Ų214140.8 Ų140.881%0.80877%0.769SS**  trans-79.2131.3137.7-70-177.4171.1-127.5-2.9107.2L187R185-L187 PolarHBondContact O-N 2.84Å
186P60.3Low58.8Low121 Ų121139.1 Ų139.179%0.78676%0.761SS**  trans-59.1117.9165.125.6-30.6000106.5L188P186-L188 VanDerWaalsContact C-N 3.31Å; P186-L188 PolarHBondContact O-N 3.44Å
187L59.5Low58Low143 Ų143141 Ų14175%0.74976%0.764SS**  trans-60.697.2175.6-64.7173.7000107.3R185 M189R185-L187 PolarHBondContact O-N 2.84Å; L187-M189 VanDerWaalsContact C-N 3.26Å; L187-M189 PolarHBondContact O-N 2.99Å
188L61.4Low57.3Low159 Ų159141.4 Ų141.483%0.83278%0.775SS**  trans-67.497.2162.5-90.4175.7000105.4P186 E190P186-L188 VanDerWaalsContact C-N 3.31Å; P186-L188 PolarHBondContact O-N 3.44Å; L188-E190 PolarHBondContact O-N 3.06Å
189M59.7Low56.5Low161 Ų161142.5 Ų142.579%0.79377%0.768SS**  trans4.481168.3-15675.866.100113.4L187 S191L187-M189 VanDerWaalsContact C-N 3.26Å; L187-M189 PolarHBondContact O-N 2.99Å; M189-S191 PolarHBondContact O-N 2.82Å
190E58.1Low56Low154 Ų154142 Ų14272%0.7277%0.773SS**  trans-75.369.3163.5-55.6175.410600105.7L188 E192L188-E190 PolarHBondContact O-N 3.06Å; E190-E192 PolarHBondContact O-N 2.88Å
191S56.1Low55.5Low98 Ų98141.9 Ų141.969%0.68578%0.778SS**  trans-83.180.9158-70.50000106M189M189-S191 PolarHBondContact O-N 2.82Å
192E54.1Low55.3Low163 Ų163141.7 Ų141.776%0.76278%0.776SS**  trans-63144.2158.461.9-176.2150.100109.8E190E190-E192 PolarHBondContact O-N 2.88Å
193E58.5Low54.2Low167 Ų167140.6 Ų140.678%0.7878%0.778SS**  trans-27.3142166.562.3-154.6177.400117
194E58Low53.4Low203 Ų203146.9 Ų146.995%0.94979%0.788SS**  -146.7113.2128.8-66.5-159.3136.600109
195D55.3Low52.5Low146 Ų146149.1 Ų149.178%0.78179%0.79SS**  trans-76153.5160-174.3-131.1000109.2
196E53.4Low50.9Low157 Ų157143.1 Ų143.173%0.73479%0.794SS**  trans81.172162.1-142.97912500120.1
197S42.7Very low49.5Very low105 Ų105141 Ų14173%0.73480%0.795SS**  trans-151.868.4141.2-179.80000112.4R199S197-R199 VanDerWaalsContact C-N 3.28Å; S197-R199 PolarHBondContact O-N 3.04Å
198C44.8Very low48.1Very low127 Ų127138.9 Ų138.986%0.85880%0.797SS**  trans-68.584.4160.1-74.20000110.3
199R46.7Very low46.9Very low218 Ų218138 Ų13882%0.82380%0.798SS**  trans-127.1113.3166.6-80.4-96-92.5-151.4-9.4109.8S197S197-R199 VanDerWaalsContact C-N 3.28Å; S197-R199 PolarHBondContact O-N 3.04Å
200P50.3Low46Very low114 Ų114135.3 Ų135.374%0.7479%0.793SS**PPolyproline II helixtrans-75.9134.8171.829.4-31.1000110.1
201P51.4Low44.6Very low125 Ų125138 Ų13881%0.81280%0.803SS**PPolyproline II helixtrans-72.6127.6165.826.8-29.2000109.8
202P47Very low43.8Very low128 Ų128137.6 Ų137.683%0.83181%0.805SS**PPolyproline II helixtrans-76.8140.9-179.931.3-33000111.3
203G36.1Very low43.1Very low66 Ų66135.3 Ų135.368%0.6880%0.804SS**PPolyproline II helixtrans-78.6163-179.600000115.5
204K43Very low42Very low195 Ų195133.6 Ų133.685%0.84881%0.808SS**  trans-172.8115.9142.8-125.584.6161.1-164.90112.6
205L41.3Very low40.6Very low168 Ų168132.5 Ų132.588%0.8880%0.803SS**  trans42121.3135.6-57172.6000122.8
206G31.8Very low39.3Very low87 Ų87132.3 Ų132.390%0.89781%0.806SS**  127.3116.2125.200000117.8
207G29.9Very low38.4Very low78 Ų78129.6 Ų129.680%0.80481%0.805SS**  trans134.476.5148.700000120.4
208A31Very low38.2Very low97 Ų97129.5 Ų129.580%0.80280%0.802SS**  trans66.4123.9133.800000124.6
209V36.7Very low37.3Very low141 Ų141130.6 Ų130.686%0.85579%0.794SS**  trans98.1132.4146.6-170.20000119
210P39.1Very low36.7Very low104 Ų104128.1 Ų128.168%0.67579%0.792SS**  trans-109.8158.2-155.239.3-25.8000113.8
211F30.5Very low35.6Very low211 Ų211127.6 Ų127.693%0.92580%0.797SS**  trans-137114.9150.7-117.4-89.6000108.8
212A38.3Very low34.9Very low89 Ų89131.1 Ų131.174%0.73680%0.8SS**PPolyproline II helixtrans-84.9145.8177.100000110.7
213P38.5Very low34.1Very low115 Ų115131.4 Ų131.475%0.74780%0.799SS**PPolyproline II helixtrans-103.4154140.831.9-21.3000110
214P36Very low34Very low131 Ų131134.2 Ų134.285%0.85180%0.803SS**PPolyproline II helixtrans-75.1140.1-160.829.1-33.6000114
215E29.7Very low33.7Very low181 Ų181133.7 Ų133.785%0.84680%0.803SS**PPolyproline II helixtrans-59.7133.4164.4179.1-168.4141.700112.3
216V28.3Very low33.4Very low141 Ų141129.2 Ų129.286%0.85580%0.798SS**  trans-161.9105137.839.50000109.7
217S34.2Very low33.5Very low101 Ų101128.3 Ų128.371%0.70679%0.788SS**  trans-113.9147.1154.1-178.10000104.2
218P37.8Very low34.2Very low103 Ų103136 Ų13667%0.66979%0.793SS**  -145.3-175.466.939.7-16.6000110.4
219E26.5Very low35Very low149 Ų149140.1 Ų140.170%0.69679%0.793SS**  cis-174.1136.928.9-166.4151.1104.100108.7
220Q32.6Very low35.5Very low167 Ų167141 Ų14178%0.7879%0.793SS**  trans53.2122.1146.8-65.8-178.860.500122.5
221A28.4Very low35.6Very low102 Ų102143.4 Ų143.484%0.84380%0.795SS**  -168.7135.996.600000112.1
222K35.8Very low36.2Very low200 Ų200143 Ų14387%0.8779%0.794SS**  trans-65.2148.5177.5-66.3167174.4176.30111.8
223T30.2Very low36.2Very low133 Ų133146.7 Ų146.782%0.81680%0.795SS**  176.9119.8106.9-69.70000111.7
224V34.7Very low36.1Very low126 Ų126145.3 Ų145.376%0.76479%0.794SS**  trans-5.4123.4146.2178.30000117.6
225Q36.3Very low36.1Very low183 Ų183147.4 Ų147.486%0.85579%0.79SS**  163.2122.5125.2-88.9-154.5-4.100106
226G35.9Very low36.7Very low75 Ų75144.9 Ų144.977%0.77379%0.787SS**  96.381.656.200000108
227G33.4Very low37.5Very low67 Ų67145.4 Ų145.469%0.69178%0.78SS**  trans105.1131151.600000118.6
228R44.8Very low37.8Very low240 Ų240145.5 Ų145.591%0.90678%0.778SS**  trans88.9132134.7-38.5-172.188.1179.43.9118
229K47.3Very low38Very low183 Ų183145.7 Ų145.780%0.79679%0.789SS**  trans67.6114.6154.165.3178.8178.1-175.70118.2Q231K229-Q231 PolarHBondContact O-N 3.15Å
230N47.7Very low38.5Very low161 Ų161144.1 Ų144.186%0.86179%0.79SS**  trans-47107.5159.6-61.3-58.3000109.7
231Q41.3Very low39.1Very low153 Ų153144 Ų14472%0.71579%0.794SS**  trans-95.4111155.3-94.3-168.964.600106K229 Q233K229-Q231 PolarHBondContact O-N 3.15Å; Q231-Q233 PolarHBondContact O-N 2.91Å
232F41.8Very low40.2Very low204 Ų204142 Ų14290%0.89578%0.783SS**  trans-66.290.9152.9-72.8-82.4000106.3A234F232-A234 PolarHBondContact O-N 2.83Å; F232-A234 VanDerWaalsContact O-N 3.15Å
233Q38.8Very low41Very low165 Ų165141.2 Ų141.277%0.77179%0.788SS**  trans-72.1103.8172.7-168171.120.600106.8Q231 F235Q231-Q233 PolarHBondContact O-N 2.91Å; Q233-F235 PolarHBondContact O-N 2.74Å; Q233-F235 VanDerWaalsContact O-N 3.11Å
234A37.4Very low42.3Very low86 Ų86139.9 Ų139.971%0.71178%0.784SS**  trans-56.2117.8165.800000107.4F232 T236F232-A234 PolarHBondContact O-N 2.83Å; F232-A234 VanDerWaalsContact O-N 3.15Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.05Å
235F36Very low43.5Very low175 Ų175142.1 Ų142.177%0.76879%0.786SS**  trans-66.393.3179.9-150.1-84.3000108Q233 Q237Q233-F235 PolarHBondContact O-N 2.74Å; Q233-F235 VanDerWaalsContact O-N 3.11Å; F235-Q237 HydrophobicContact CD1-CG 4.1Å; F235-Q237 PolarHBondContact O-N 3.15Å
236T42Very low45Very low129 Ų129138.1 Ų138.179%0.79178%0.776SS**  trans-66.499.2165.334.40000107.7A234 P238A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.05Å; T236-P238 WeakPolarHBondContact O-CD 3.45Å
237Q44.9Very low46.8Very low151 Ų151138.4 Ų138.471%0.70676%0.76SS**PPolyproline II helixtrans-65.9122.2167.7-71.2-97-48.100108.4F235F235-Q237 HydrophobicContact CD1-CG 4.1Å; F235-Q237 PolarHBondContact O-N 3.15Å
238P40.3Very low48.9Very low103 Ų103140 Ų14067%0.66976%0.755SS**PPolyproline II helixtrans-73.5144.2169.630.2-30.2000109.5T236 T240T236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-T240 PolarHBondContact O-N 2.86Å
239A42.7Very low50Low107 Ų107135.7 Ų135.788%0.88474%0.744SS**PPolyproline II helixtrans-55.4118.7174.300000110.8
240T36.8Very low51.2Low117 Ų117130.1 Ų130.172%0.71873%0.732SS**  trans-123108.7161.659.60000108.7P238P238-T240 PolarHBondContact O-N 2.86Å
241D44.5Very low52Low163 Ų163128.9 Ų128.987%0.87272%0.724SS**  trans-16.2126.8151.5-154.26.2000114.8
242G52.2Low53.4Low60 Ų60123 Ų12362%0.61970%0.702SS**SBendtrans58.8115.6158.100000119
243L51.3Low54.9Low185 Ų185119.3 Ų119.397%0.96970%0.698SS**  trans89.936.2162.2-45.8175.8000118.2
244S57.4Low55.9Low104 Ų104119.9 Ų119.973%0.72770%0.698SS**  trans-92141.1160.859.20000111.7
245E61.2Low57.1Low174 Ų174126.9 Ų126.981%0.81371%0.706SS**  trans-44.2131.9177.2-172.6174.517600111.6D247E245-D247 PolarHBondContact O-N 3.28Å
246P66.7Low58.1Low99 Ų99122.1 Ų122.164%0.64370%0.695SS**  trans-62.4116-179.1-16.528.3000109.5V248P246-V248 PolarHBondContact O-N 3.1Å
247D75.3Confident58.9Low81 Ų81120.1 Ų120.143%0.43369%0.686SS.*  trans-47.6114.9169.4177.8-0.2000108.5E245 F249 A250E245-D247 PolarHBondContact O-N 3.28Å; D247-F249 PolarHBondContact O-N 3.27Å; D247-F249 WeakPolarHBondContact OD1-CB 3.45Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.33Å; D247-F249 PolarHBondContact OD1-N 3.48Å; D247-A250 HydrophobicContact CB-CB 3.99Å; D247-A250 WeakPolarHBondContact O-CA 3.17Å; D247-A250 VanDerWaalsContact O-CB 3.24Å; D247-A250 WeakPolarHBondContact O-CB 3.15Å; D247-A250 PolarHBondContact O-N 3.24Å
248V76.3Confident59.5Low99 Ų99123.7 Ų123.760%0.669%0.693SS**THydrogen-bonded Turntrans-57.6-24.5-178170.90000110.9P246 I251P246-V248 PolarHBondContact O-N 3.1Å; V248-I251 WeakPolarHBondContact O-CG1 3.14Å
249F67.4Low60.3Low150 Ų150123.6 Ų123.666%0.65869%0.691SS**THydrogen-bonded Turntrans-83.4-12174.8-59-78.1000113.7D247D247-F249 PolarHBondContact O-N 3.27Å; D247-F249 WeakPolarHBondContact OD1-CB 3.45Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.33Å; D247-F249 PolarHBondContact OD1-N 3.48Å
250A72.5Confident60.9Low67 Ų67124 Ų12455%0.55468%0.684SS**THydrogen-bonded Turntrans-78.6-25.7172.600000113D247D247-A250 HydrophobicContact CB-CB 3.99Å; D247-A250 WeakPolarHBondContact O-CA 3.17Å; D247-A250 VanDerWaalsContact O-CB 3.24Å; D247-A250 WeakPolarHBondContact O-CB 3.15Å; D247-A250 PolarHBondContact O-N 3.24Å
251I66.1Low61.8Low134 Ų134125.1 Ų125.169%0.68769%0.686SS**SBendtrans-90.6-4.7173.853.9170.7000112.9V248V248-I251 WeakPolarHBondContact O-CG1 3.14Å
252A70.2Confident62.4Low31 Ų31121.9 Ų121.926%0.25667%0.668SS.*SBendtrans-69142.7175.600000110.4F254A252-F254 HydrophobicContact CB-CD2 4.39Å; A252-F254 CarbonylContact O-C 3.56Å; A252-F254 PolarHBondContact O-N 2.8Å
253P72.5Confident63Low125 Ų125126.2 Ų126.281%0.81268%0.677SS**SBendtrans-59.3-19.8176.2-23.133.1000113.4R255P253-R255 PolarHBondContact O-N 3.12Å; P253-R255 VanDerWaalsContact O-N 3.15Å
254F60.3Low64Low177 Ų177122.1 Ų122.178%0.77666%0.655SS**SBendtrans-74.2102169.6-50.7-72.8000108.2A252 S256A252-F254 HydrophobicContact CB-CD2 4.39Å; A252-F254 CarbonylContact O-C 3.56Å; A252-F254 PolarHBondContact O-N 2.8Å; F254-S256 PolarHBondContact O-N 3.45Å
255R62.3Low65Low233 Ų233121.8 Ų121.888%0.87965%0.645SS**  trans-52.6103.5168.2-68-177147.8-149.8-7.6107.9P253 S257P253-R255 PolarHBondContact O-N 3.12Å; P253-R255 VanDerWaalsContact O-N 3.15Å; R255-S257 PolarHBondContact O-N 2.97Å
256S56.4Low65.9Low75 Ų75120.2 Ų120.252%0.52464%0.64SS.*  trans-6489.9161.358.90000105.4F254 R258F254-S256 PolarHBondContact O-N 3.45Å; S256-R258 PolarHBondContact O-N 3.22Å
257S58.7Low66.1Low88 Ų88121.8 Ų121.862%0.61564%0.637SS**  trans-7079-177.4175.90000107.1R255 V259R255-S257 PolarHBondContact O-N 2.97Å; S257-V259 PolarHBondContact O-N 2.79Å; S257-V259 WeakPolarHBondContact OG-CB 3.42Å; S257-V259 WeakPolarHBondContact OG-CG2 3.11Å
258R58.9Low66.1Low226 Ų226121.2 Ų121.285%0.85364%0.639SS**  trans-70.559.9153.1-63.9-152.1-68.4-131.11.3107.9S256S256-R258 PolarHBondContact O-N 3.22Å
259V56.3Low65.9Low101 Ų101122.3 Ų122.361%0.61264%0.636SS**  trans-77.7128.71611690000104.8S257 N261S257-V259 PolarHBondContact O-N 2.79Å; S257-V259 WeakPolarHBondContact OG-CB 3.42Å; S257-V259 WeakPolarHBondContact OG-CG2 3.11Å; V259-N261 PolarHBondContact O-N 2.99Å
260P56.5Low66.5Low114 Ų114116.5 Ų116.574%0.7462%0.616SS**  trans-51136.9176.9-20.930.5000109.3D262P260-D262 PolarHBondContact O-N 3.06Å
261N55.2Low66.8Low141 Ų141120.1 Ų120.175%0.75463%0.634SS**  trans-4198.8176.1-78-58.3000111V259V259-N261 PolarHBondContact O-N 2.99Å
262D57.9Low67.2Low95 Ų95119 Ų11951%0.50862%0.624SS.*  trans-87.794.7146.2-158.233000102.1P260 M264 K269P260-D262 PolarHBondContact O-N 3.06Å; D262-M264 PolarHBondContact O-N 2.99Å; D262-M264 WeakPolarHBondContact OD1-CG 2.98Å; D262-K269 WeakPolarHBondContact OD2-CE 3.36Å; D262-K269 IonicContact OD2-NZ 2.73Å; D262-K269 PolarHBondContact OD2-NZ 3.35Å
263D63.3Low67Low151 Ų151124.5 Ų124.581%0.80765%0.654SS**  trans-61.317.1176.9-84.2-33.7000112.6
264M73.5Confident66.6Low100 Ų100121.6 Ų121.649%0.49364%0.637SS.*SBendtrans-93.8109.4178.5-47.6-160.281.400107.4D262 I266 K269D262-M264 PolarHBondContact O-N 2.99Å; D262-M264 WeakPolarHBondContact OD1-CG 2.98Å; M264-I266 PolarHBondContact O-N 3.11Å; M264-K269 VanDerWaalsContact CB-CE 3.43Å; M264-K269 VanDerWaalsContact SD-CE 3.54Å; M264-K269 PolarHBondContact SD-NZ 3.02Å
265D76.9Confident66.8Low97 Ų97122.9 Ų122.952%0.51964%0.642SS.*  trans-42.4136.7174.9-176.810.2000111.3F267 S268D265-F267 PolarHBondContact O-N 2.9Å; D265-F267 VanDerWaalsContact O-N 3.09Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-F267 PolarHBondContact OD1-N 2.88Å; D265-S268 WeakPolarHBondContact O-CA 3.44Å; D265-S268 WeakPolarHBondContact O-CB 3.48Å; D265-S268 PolarHBondContact O-N 2.82Å
266I80.2Confident66.4Low141 Ų141117.1 Ų117.172%0.72364%0.637SS**Hα-helixtrans-54.7-32.3-179-71.6165.3000110.8M264 S268 K269 A270M264-I266 PolarHBondContact O-N 3.11Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.06Å; I266-K269 PolarHBondContact O-N 2.84Å; I266-K269 VanDerWaalsContact O-N 3.15Å; I266-A270 PolarHBondContact O-N 3.35Å
267F71.6Confident66.2Low132 Ų132119 Ų11958%0.57965%0.65SS**Hα-helixtrans-66.4-24.1173.7-65.1-82.1000113.4D265 K269 F272 S274D265-F267 PolarHBondContact O-N 2.9Å; D265-F267 VanDerWaalsContact O-N 3.09Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-F267 PolarHBondContact OD1-N 2.88Å; F267-K269 VanDerWaalsContact C-N 3.34Å; F267-F272 HydrophobicContact CB-CE2 3.89Å; F267-F272 HydrophobicContact CB-CZ 4.2Å; F267-F272 AromaticContact CD1-CE2 3.93Å; F267-F272 HydrophobicContact CD1-CE2 3.93Å; F267-F272 AromaticContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CE1-CZ 4.47Å; F267-F272 HydrophobicContact CG-CE2 4.42Å; F267-F272 HydrophobicContact CG-CZ 4.34Å; F267-F272 WeakPolarHBondContact O-CE2 3.4Å; F267-S274 PolarHBondContact O-OG 3.18Å
268S75.9Confident66Low68 Ų68123.9 Ų123.948%0.47667%0.666SS.*Hα-helixtrans-77.1-20.2173.4-57.20000113.1D265 I266D265-S268 WeakPolarHBondContact O-CA 3.44Å; D265-S268 WeakPolarHBondContact O-CB 3.48Å; D265-S268 PolarHBondContact O-N 2.82Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.06Å
269K71.5Confident65.1Low122 Ų122116.7 Ų116.753%0.5366%0.655SS.*Hα-helixtrans-95.6-12.3179-61.9-66.5174.1156.70113.4D262 M264 I266 F267D262-K269 WeakPolarHBondContact OD2-CE 3.36Å; D262-K269 IonicContact OD2-NZ 2.73Å; D262-K269 PolarHBondContact OD2-NZ 3.35Å; M264-K269 VanDerWaalsContact CB-CE 3.43Å; M264-K269 VanDerWaalsContact SD-CE 3.54Å; M264-K269 PolarHBondContact SD-NZ 3.02Å; I266-K269 PolarHBondContact O-N 2.84Å; I266-K269 VanDerWaalsContact O-N 3.15Å; F267-K269 VanDerWaalsContact C-N 3.34Å
270A80.6Confident64.3Low28 Ų28117.1 Ų117.123%0.23166%0.66CS.*SBendtrans-78.1151.4178.900000111.2I266 F272I266-A270 PolarHBondContact O-N 3.35Å; A270-F272 HydrophobicContact CB-CD1 3.6Å; A270-F272 HydrophobicContact CB-CD2 4.15Å; A270-F272 HydrophobicContact CB-CE1 3.06Å; A270-F272 HydrophobicContact CB-CE2 3.67Å; A270-F272 HydrophobicContact CB-CG 4.13Å; A270-F272 HydrophobicContact CB-CZ 3.1Å; A270-F272 PolarHBondContact O-N 3.17Å
271P78.1Confident64.1Low143 Ų143117.4 Ų117.493%0.92967%0.665SS**SBendtrans-78.136.6-174.134.9-37.4000112.3
272F75.4Confident63.6Low111 Ų111118.4 Ų118.449%0.48767%0.665SS.*SBendtrans-107.9148168.735.6-102.9000109.7F267 A270 S274F267-F272 HydrophobicContact CB-CE2 3.89Å; F267-F272 HydrophobicContact CB-CZ 4.2Å; F267-F272 AromaticContact CD1-CE2 3.93Å; F267-F272 HydrophobicContact CD1-CE2 3.93Å; F267-F272 AromaticContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CD1-CZ 3.59Å; F267-F272 HydrophobicContact CE1-CZ 4.47Å; F267-F272 HydrophobicContact CG-CE2 4.42Å; F267-F272 HydrophobicContact CG-CZ 4.34Å; F267-F272 WeakPolarHBondContact O-CE2 3.4Å; A270-F272 HydrophobicContact CB-CD1 3.6Å; A270-F272 HydrophobicContact CB-CD2 4.15Å; A270-F272 HydrophobicContact CB-CE1 3.06Å; A270-F272 HydrophobicContact CB-CE2 3.67Å; A270-F272 HydrophobicContact CB-CG 4.13Å; A270-F272 HydrophobicContact CB-CZ 3.1Å; A270-F272 PolarHBondContact O-N 3.17Å; F272-S274 PolarHBondContact O-N 3.02Å; F272-S274 PolarHBondContact O-OG 3.23Å
273V64.3Low63.5Low146 Ų146119 Ų11989%0.88567%0.673SS**  trans-72.691.4-174.4-145.70000108.9K275V273-K275 PolarHBondContact O-N 3.17Å
274S64.7Low63.3Low64 Ų64120 Ų12045%0.44867%0.674SS.*  trans-70.5101175.8-57.20000108.7F267 F272 S276F267-S274 PolarHBondContact O-OG 3.18Å; F272-S274 PolarHBondContact O-N 3.02Å; F272-S274 PolarHBondContact O-OG 3.23Å; S274-S276 VanDerWaalsContact C-N 3.32Å; S274-S276 PolarHBondContact O-N 3.05Å
275K64.8Low63Low205 Ų205124.3 Ų124.389%0.89169%0.692SS**  trans-6596.2165.9-81.6-179.4177.4174.70107.4V273 S277V273-K275 PolarHBondContact O-N 3.17Å; K275-S277 PolarHBondContact O-N 3.46Å; K275-S277 VanDerWaalsContact O-N 3.15Å
276S52.8Low62.6Low111 Ų111122.2 Ų122.278%0.77669%0.686SS**  trans-50.7119.6168.454.40000109.1S274 M278S274-S276 VanDerWaalsContact C-N 3.32Å; S274-S276 PolarHBondContact O-N 3.05Å; S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3.35Å
277S53.7Low62.6Low115 Ų115119.5 Ų119.580%0.80467%0.672SS**  trans-67.292174.6-174.40000109.8K275K275-S277 PolarHBondContact O-N 3.46Å; K275-S277 VanDerWaalsContact O-N 3.15Å
278M54Low63Low190 Ų190118.4 Ų118.494%0.93668%0.676SS**  trans-123.986.2146.6-90.8-175.672.100105.9S276S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3.35Å
279A40.2Very low62.8Low76 Ų76122.8 Ų122.863%0.62869%0.687SS**  trans-134.6144.1169.900000107.5
280P39.8Very low62.9Low110 Ų110122.2 Ų122.271%0.71469%0.689SS**  trans-57.8144.2-167.126.2-34.8000110.7Q282P280-Q282 PolarHBondContact O-N 2.97Å
281S50.9Low62.4Low120 Ų120130.6 Ų130.684%0.83972%0.715SS**  trans-43.1104.517454.10000110.4
282Q45.4Very low62.4Low161 Ų161124.8 Ų124.875%0.75268%0.679SS**  trans-61.3140.2167.4-76.5-71.7-65.900107.4P280 E284P280-Q282 PolarHBondContact O-N 2.97Å; Q282-E284 PolarHBondContact O-N 3.15Å
283P55.1Low62.5Low107 Ų107125.2 Ų125.270%0.69569%0.693SS**  trans-58.3121170.125.4-29.3000106.7E285P283-E285 PolarHBondContact O-N 3.05Å; P283-E285 VanDerWaalsContact O-N 3.16Å
284E60.7Low62.6Low174 Ų174126.6 Ų126.681%0.81369%0.688SS**  trans-26.5117.5167.2-176.9-177.714700110Q282 S286Q282-E284 PolarHBondContact O-N 3.15Å; E284-S286 PolarHBondContact O-N 2.58Å
285E66.7Low62.6Low189 Ų189126.9 Ų126.988%0.88369%0.687SS**  trans-64.184.2173.5-62.7-174.1176.100107P283 D287P283-E285 PolarHBondContact O-N 3.05Å; P283-E285 VanDerWaalsContact O-N 3.16Å; E285-D287 PolarHBondContact O-N 3.22Å; E285-D287 VanDerWaalsContact O-N 3.17Å
286S68.1Low62.6Low54 Ų54127.2 Ų127.238%0.37869%0.688SS.*  trans-53.4127-176.1600000107.7E284 V288E284-S286 PolarHBondContact O-N 2.58Å; S286-V288 PolarHBondContact O-N 3.15Å
287D79.9Confident63.5Low83 Ų83130 Ų13044%0.44469%0.686SS.*  trans-30.4125.5-174.7-177.42.8000112E285 F289 L290 R291E285-D287 PolarHBondContact O-N 3.22Å; E285-D287 VanDerWaalsContact O-N 3.17Å; D287-F289 PolarHBondContact O-N 3.24Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.42Å; D287-F289 PolarHBondContact OD1-N 3.2Å; D287-F289 VanDerWaalsContact OD1-N 3.13Å; D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.23Å; D287-L290 WeakPolarHBondContact O-CA 3.19Å; D287-L290 WeakPolarHBondContact O-CB 3.44Å; D287-L290 PolarHBondContact O-N 2.84Å; D287-R291 PolarHBondContact O-N 2.97Å
288V80.8Confident63.9Low110 Ų110134.8 Ų134.867%0.66769%0.692SS**Hα-helixtrans-53.3-27.9-178.4-171.90000110.9S286 L290 R291 A292S286-V288 PolarHBondContact O-N 3.15Å; V288-L290 PolarHBondContact O-N 2.98Å; V288-R291 PolarHBondContact O-N 3.07Å; V288-A292 PolarHBondContact O-N 3.29Å
289F71.6Confident63.9Low159 Ų159130.7 Ų130.770%0.69768%0.683SS**Hα-helixtrans-67.5-28.4174.2-64.1-69.9000114.1D287 T295D287-F289 PolarHBondContact O-N 3.24Å; D287-F289 WeakPolarHBondContact OD1-CD2 3.42Å; D287-F289 PolarHBondContact OD1-N 3.2Å; D287-F289 VanDerWaalsContact OD1-N 3.13Å; F289-T295 WeakPolarHBondContact O-CG2 3.48Å
290L72.5Confident64Low110 Ų110135.1 Ų135.158%0.57669%0.692SS**Hα-helixtrans-74.2-34.2171.1-63.9174.1000112.1D287 V288 A292D287-L290 HydrophobicContact CB-CD1 4.24Å; D287-L290 HydrophobicContact CB-CG 4.23Å; D287-L290 WeakPolarHBondContact O-CA 3.19Å; D287-L290 WeakPolarHBondContact O-CB 3.44Å; D287-L290 PolarHBondContact O-N 2.84Å; V288-L290 PolarHBondContact O-N 2.98Å; L290-A292 VanDerWaalsContact C-N 3.34Å
291R70.4Confident64.6Low204 Ų204137.5 Ų137.577%0.7769%0.694SS**Hα-helixtrans-75.1-21.8173.8-87.1-179.567.6-165.11.6113.6D287 V288D287-R291 PolarHBondContact O-N 2.97Å; V288-R291 PolarHBondContact O-N 3.07Å
292A77.9Confident64.4Low21 Ų21141 Ų14117%0.17470%0.697CS.*SBendtrans-67.9140.9-179.300000110.3V288 L290 F294V288-A292 PolarHBondContact O-N 3.29Å; L290-A292 VanDerWaalsContact C-N 3.34Å; A292-F294 HydrophobicContact CB-CD2 3.52Å; A292-F294 HydrophobicContact CB-CE2 3.87Å; A292-F294 PolarHBondContact O-N 3.13Å
293P77.4Confident64.5Low121 Ų121139.6 Ų139.679%0.78669%0.694SS**THydrogen-bonded Turntrans-68.511.4-172.729.4-36.1000114.3
294F67.3Low63.6Low175 Ų175140.3 Ų140.377%0.76870%0.697SS**THydrogen-bonded Turntrans-97.1-3.6-174.1-44.5-66.5000113.3A292 K296A292-F294 HydrophobicContact CB-CD2 3.52Å; A292-F294 HydrophobicContact CB-CE2 3.87Å; A292-F294 PolarHBondContact O-N 3.13Å; F294-K296 PolarHBondContact O-N 3.14Å
295T64.3Low62.3Low70 Ų70137.9 Ų137.943%0.42969%0.694SS.*  trans-81.556.8-176.555.50000113.1F289 K297F289-T295 WeakPolarHBondContact O-CG2 3.48Å; T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact O-N 3.17Å
296K64.8Low60.9Low212 Ų212137.1 Ų137.192%0.92269%0.693SS**  trans-85.179.4165.4-136.2-173.5-173179.90109.4F294F294-K296 PolarHBondContact O-N 3.14Å
297K71.8Confident59.6Low169 Ų169142.8 Ų142.874%0.73571%0.714SS**  trans-132.3119.6162.649.9176.5161173.50111.4T295 S299T295-K297 VanDerWaalsContact C-N 3.35Å; T295-K297 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact O-N 3.17Å; K297-S299 PolarHBondContact O-N 2.94Å
298K61.8Low57.3Low215 Ų215144.5 Ų144.594%0.93573%0.731SS**  trans-74.689.9163.642158.5-177.4178.60108.2
299S54.5Low54.8Low105 Ų105145.6 Ų145.673%0.73474%0.738SS**  trans-87.3114.1167.7580000109.1K297K297-S299 PolarHBondContact O-N 2.94Å
300M41.9Very low53Low169 Ų169143.4 Ų143.483%0.83374%0.743SS**  trans-66.4141.1161179.1143.562.200108.5
301E52.1Low51.1Low160 Ų160147.4 Ų147.475%0.74876%0.758SS**  trans12.9113.6166.5-116.299.1166.400117.8
302E48.3Very low49.1Very low193 Ų193144.8 Ų144.890%0.90276%0.755SS**  -151.6111.6121-157.7175.9154.400109.8
303L46.3Very low46.8Very low131 Ų131151.2 Ų151.269%0.68679%0.786SS**  trans-62.9141.9168.5-68.7154.3000108.1
304T35.6Very low45.2Very low123 Ų123150.9 Ų150.976%0.75578%0.783SS**  -172.6131.385.828.10000112.8
305V34.6Very low43.4Very low123 Ų123146.7 Ų146.775%0.74578%0.781SS**  trans68.9101.1136.8-175.30000116.9
306I37.6Very low42.2Very low172 Ų172152 Ų15288%0.88280%0.801SS**  -143131.296-81.4151.4000108.9
307Q40.4Very low40.7Very low174 Ų174148.6 Ų148.681%0.81380%0.798SS**  trans-69.7129.3-176.9169.6-179.2-16.200112.5
308C31.6Very low38.9Very low119 Ų119144.3 Ų144.380%0.80480%0.801SS**  trans-162.9101.6149.1-104.20000112.7
309T28.7Very low38Very low133 Ų133142.1 Ų142.182%0.81680%0.799SS**  trans47107.5151.562.90000120.9
310S34Very low37.4Very low112 Ų112143.8 Ų143.878%0.78380%0.799SS**  trans-50.7133.2150.4178.10000112.7
311Q30.8Very low37.1Very low194 Ų194140.6 Ų140.691%0.90779%0.793SS**  trans-139.4109.2136.8-166-17670.400109.7
312E29.7Very low36.6Very low149 Ų149141 Ų14170%0.69680%0.795SS**  trans-53.3139164.8172.8-176.3132.100113.7
313L30.1Very low36Very low157 Ų157138 Ų13882%0.82279%0.79SS**  -170.1132.9123.5-99.9175.3000111.4
314P42.9Very low35.6Very low113 Ų113135.6 Ų135.673%0.73480%0.797SS**  trans-100.6117.9175.134.5-24.4000110.9
315A29.8Very low35.5Very low87 Ų87136.7 Ų136.772%0.71980%0.798SS**  trans-164.6105164.100000109.9
316Q38.2Very low36.2Very low183 Ų183137.1 Ų137.186%0.85580%0.801SS**  17213591.1-77.1-148.82.200111.2
317T34.7Very low36.8Very low140 Ų140133.6 Ų133.686%0.85979%0.789SS**  trans-47.2138.8163.747.40000112.9
318G33.5Very low37.1Very low78 Ų78132.8 Ų132.880%0.80479%0.79SS**  trans-163.871.1170.600000111.7L320G318-L320 PolarHBondContact O-N 2.83Å
319L43.6Very low38.2Very low170 Ų170132.5 Ų132.589%0.8979%0.787SS**  trans-60.6122.5161.2-80.2165.4000109
320L40.3Very low38.7Very low139 Ų139131.1 Ų131.173%0.72879%0.789SS**  trans-152.994.2144.6-159.667.8000110.8G318 Q322G318-L320 PolarHBondContact O-N 2.83Å; L320-Q322 HydrophobicContact CD2-CG 4.39Å; L320-Q322 HydrophobicContact CG-CG 4.28Å
321S36.3Very low39.1Very low102 Ų102129.2 Ų129.271%0.71379%0.787SS**  trans-57.8129.1153.6-51.40000108.9
322Q42.3Very low39.5Very low168 Ų168130.7 Ų130.779%0.78578%0.784SS**  trans-130.798152.4-77.4-161.655.100109.5L320L320-Q322 HydrophobicContact CD2-CG 4.39Å; L320-Q322 HydrophobicContact CG-CG 4.28Å
323T35.2Very low40.3Very low131 Ų131130.6 Ų130.680%0.80478%0.784SS**  trans-53.3145.4155.436.60000110.9
324G36.7Very low41.4Very low80 Ų80134.5 Ų134.583%0.82579%0.787SS**  trans-66.1165.8-179.700000114.5
325D35.3Very low41.7Very low146 Ų146134 Ų13478%0.78179%0.792SS**  trans-161.4134.1144.7-159.48.4000109.3
326V49Very low42.9Very low132 Ų132134.8 Ų134.880%0.879%0.788SS**  trans-121.6128.4163.4160.50000105
327P48.8Very low43.1Very low98 Ų98136 Ų13664%0.63679%0.786SS**  trans-144.1122.8134.125.6-4.6000115.5
328L48.3Very low43.9Very low157 Ų157134.9 Ų134.982%0.82278%0.78SS**  69.6166.9123-99.3155000119.9
329P53.5Low44.9Very low114 Ų114140.2 Ų140.274%0.7480%0.804SS**  -111.9164.5-108.541.5-27.8000114
330A40.3Very low44.9Very low104 Ų104138.7 Ų138.786%0.8680%0.8SS**  trans-118.8120.7164.700000109.9
331G40.9Very low45.2Very low72 Ų72138.7 Ų138.774%0.74280%0.804SS**  trans-83.6-163.3177.900000114.4
332R40.9Very low45.6Very low225 Ų225140.7 Ų140.785%0.84981%0.809SS**  trans85.5129.7-177-85-179.9101.51655.4114
333E46.5Very low45.8Very low147 Ų147139.1 Ų139.169%0.68781%0.81SS**  cis-146.4158.119.7-74.6-146.5143.300113.7
334R51.4Low46.5Very low239 Ų239139.6 Ų139.690%0.90281%0.811SS**  trans-56.5135.8160.4-99.7175.3164.8162.6-4.3110.8
335A50.6Low47.2Very low101 Ų101143.6 Ų143.684%0.83581%0.81SS**  trans-126.8138.8149.100000109.2
336V54.1Low48Very low105 Ų105143.4 Ų143.464%0.63681%0.812SS**  trans-100.3163.2-168.8-169.90000109.3
337Y43.3Very low47.9Very low208 Ų208144.3 Ų144.382%0.81681%0.813SS**  trans84136.7160.9-73.3-74.5000115.6
338T51.4Low47.9Very low117 Ų117148.2 Ų148.272%0.71883%0.827SS**  cis-149.4138.427.7500000110.7
339S53Low47.8Very low189 Ų189147.4 Ų147.4100%1.32283%0.828SS**  75.60115.5-54.90000116.1

Retrieved 339 of 339 residues in 176.4 ms (Link to these results)