A0A075BJA1_DROME Loading...

Pumilio

AlphaFold DB , UniProt , Accession A0A075BJA1, Species DROME (Drosophila melanogaster, Fruit fly), Gene pum, Length 372 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
1M39.7Very low44.2Very low242 Ų242159 Ų159100%1.19284%0.841SS**  0137.40-60.1168.6-150.300106.9
2K43.8Very low43.9Very low213 Ų213150.9 Ų150.993%0.92682%0.824SS**  trans-96.5141.6-172.9-72.1177.6174.9178.40110.7
3F42.5Very low43.8Very low193 Ų193159.3 Ų159.385%0.84684%0.836SS**  trans-75.3-172.1166.3-79.3-93.3000110.9
4L46.3Very low43.1Very low179 Ų179154.4 Ų154.494%0.93784%0.843SS**  trans76.5128.5-167-62.473.8000111
5G39.7Very low42.6Very low69 Ų69148.9 Ų148.971%0.71184%0.836SS**  cis145.1103.910.900000106.5N7G5-N7 PolarHBondContact O-N 3.24Å; G5-N7 VanDerWaalsContact O-N 3.17Å
6G44.8Very low42.2Very low82 Ų82148.9 Ų148.985%0.84584%0.841SS**  trans-79.499.1-164.200000114
7N44.4Very low41.5Very low140 Ų140144.1 Ų144.175%0.74983%0.832SS**  trans-126.480.3160.4-84.973.8000108G5 D9G5-N7 PolarHBondContact O-N 3.24Å; G5-N7 VanDerWaalsContact O-N 3.17Å; N7-D9 PolarHBondContact O-N 3.2Å
8D46.9Very low41.3Very low116 Ų116143.8 Ų143.862%0.6283%0.832SS**  trans-92.281.2176.1-138.1-50.5000108.1R10D8-R10 VanDerWaalsContact CG-NH2 3.35Å; D8-R10 PolarHBondContact O-N 3.5Å; D8-R10 WeakPolarHBondContact OD1-CG 3.32Å; D8-R10 IonicContact OD1-CZ 3.35Å; D8-R10 IonicContact OD1-NE 3.37Å; D8-R10 PolarHBondContact OD1-NE 3.09Å; D8-R10 IonicContact OD1-NH2 3.11Å; D8-R10 PolarHBondContact OD1-NH2 3.17Å; D8-R10 VanDerWaalsContact OD1-NH2 3.11Å; D8-R10 IonicContact OD2-CZ 3.83Å; D8-R10 IonicContact OD2-NE 3.85Å; D8-R10 IonicContact OD2-NH2 2.94Å; D8-R10 PolarHBondContact OD2-NH2 3.36Å
9D46.7Very low40.7Very low144 Ų144140.3 Ų140.377%0.7783%0.83SS**  trans-67.473177.7-75.6-63.3000111.5N7 N11N7-D9 PolarHBondContact O-N 3.2Å; D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.03Å
10R50.6Low40.5Very low210 Ų210139.3 Ų139.379%0.79283%0.825SS**  trans-92.566.7175.1-63.5-166.9-162.6167.615.1112.3D8D8-R10 VanDerWaalsContact CG-NH2 3.35Å; D8-R10 PolarHBondContact O-N 3.5Å; D8-R10 WeakPolarHBondContact OD1-CG 3.32Å; D8-R10 IonicContact OD1-CZ 3.35Å; D8-R10 IonicContact OD1-NE 3.37Å; D8-R10 PolarHBondContact OD1-NE 3.09Å; D8-R10 IonicContact OD1-NH2 3.11Å; D8-R10 PolarHBondContact OD1-NH2 3.17Å; D8-R10 VanDerWaalsContact OD1-NH2 3.11Å; D8-R10 IonicContact OD2-CZ 3.83Å; D8-R10 IonicContact OD2-NE 3.85Å; D8-R10 IonicContact OD2-NH2 2.94Å; D8-R10 PolarHBondContact OD2-NH2 3.36Å
11N41.4Very low40.1Very low161 Ų161139.9 Ų139.986%0.86183%0.825SS**SBendtrans-115.7128.6146.1-166.18.3000109.1D9D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.03Å
12G40Very low39.7Very low62 Ų62132.6 Ų132.664%0.63980%0.803SS**SBendtrans82.376.4170.100000117.4
13R43.2Very low39.7Very low260 Ų260131.1 Ų131.198%0.98180%0.804SS**  trans-170.690.9139.5-103.4160.9-152.9-153.35.9111.1
14G33.8Very low39.3Very low90 Ų90128.1 Ų128.193%0.92880%0.801SS**  trans-144.358.9176.700000110.9
15G34.6Very low38.5Very low72 Ų72122.9 Ų122.974%0.74279%0.79SS**  trans-148.794-179.500000112.3
16V36.3Very low38.7Very low150 Ų150125.5 Ų125.591%0.90980%0.797SS**  trans-150.9133.2158.6-171.40000107.5
17G30.8Very low38.4Very low67 Ų67133.3 Ų133.369%0.69180%0.801SS**  trans141.556-178.400000111.6
18V37.3Very low38.1Very low138 Ų138130.8 Ų130.884%0.83681%0.808SS**  56.295.396.6-171.60000111.9
19G31.4Very low37.6Very low77 Ų77127.8 Ų127.879%0.79481%0.805SS**  trans-164.398.6173.900000109.5
20T35.6Very low37.5Very low120 Ų120127.4 Ų127.474%0.73681%0.807SS**  trans-75.5163.2178.5-330000110.7
21D32.3Very low37.1Very low152 Ų152121.9 Ų121.981%0.81380%0.801SS**  trans72.883.5161.4-53.3-44000119
22A30.5Very low37Very low90 Ų90121 Ų12174%0.74479%0.791SS**  trans-159.687.5137.300000112V24A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 2.81Å
23I44.4Very low37Very low181 Ų181123.9 Ų123.993%0.92879%0.793SS**  trans-74.186160.8-59.3174000107.5
24V33.8Very low36.7Very low131 Ų131114.8 Ų114.879%0.79477%0.773SS**  trans-141.3114.8171.5-1770000111.1A22A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 PolarHBondContact O-N 2.81Å
25G29.7Very low37Very low68 Ų68113.7 Ų113.770%0.70176%0.755SS**  trans83.189.5151.100000117.3R27G25-R27 PolarHBondContact O-N 3.22Å
26S44.6Very low37.3Very low124 Ų124116.1 Ų116.187%0.86775%0.751SS**  trans-57.2115.4155-47.50000110.4
27R38.2Very low37.5Very low247 Ų247112 Ų11293%0.93273%0.733SS**  trans-173.1121.3160.4-102.8155.4-155.7-156.96.6111.4G25G25-R27 PolarHBondContact O-N 3.22Å
28G38Very low37.9Very low87 Ų87111.8 Ų111.890%0.89772%0.724SS**  trans90.2102.2161.600000115.7
29G36.1Very low38.1Very low53 Ų53107.4 Ų107.455%0.54671%0.707SS.*  trans-173.77.2174.800000116.3S31G29-S31 PolarHBondContact O-N 3.24Å
30V44.8Very low38.6Very low136 Ų136106.9 Ų106.982%0.82470%0.695SS**THydrogen-bonded Turntrans-77.842.4-176.5-68.70000113.3
31S42.2Very low38.8Very low94 Ų94104.3 Ų104.366%0.65769%0.686SS**THydrogen-bonded Turntrans-138.1-6.5-173.7-55.40000115.3G29G29-S31 PolarHBondContact O-N 3.24Å
32Q38.7Very low39.1Very low141 Ų141100 Ų10066%0.65967%0.672SS**SBendtrans-80.2-51.4167.2-110.174.117.300110.9A34 A35Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 3.07Å; Q32-A34 VanDerWaalsContact O-N 3.14Å; Q32-A35 PolarHBondContact O-N 2.94Å; Q32-A35 VanDerWaalsContact O-N 3.07Å
33D40Very low39.5Very low124 Ų12499.2 Ų99.266%0.66367%0.665SS**Hα-helixtrans-62.2-29.2-169.7-53.3-71.1000114.6A35 A37D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.35Å; D33-A37 VanDerWaalsContact O-N 3.11Å
34A38.5Very low39.4Very low69 Ų6994.7 Ų94.757%0.5766%0.655SS**Hα-helixtrans-71.6-27.3179.400000113.2Q32 A38Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 3.07Å; Q32-A34 VanDerWaalsContact O-N 3.14Å; A34-A38 PolarHBondContact O-N 3.42Å
35A39.7Very low39.7Very low66 Ų6692.6 Ų92.655%0.54565%0.651SS.*Hα-helixtrans-76.4-42.7177.900000111.3Q32 D33 A38 G39Q32-A35 PolarHBondContact O-N 2.94Å; Q32-A35 VanDerWaalsContact O-N 3.07Å; D33-A35 VanDerWaalsContact C-N 3.34Å; A35-A38 PolarHBondContact O-N 2.83Å; A35-G39 PolarHBondContact O-N 3.25Å
36D40.8Very low40.2Very low124 Ų12493.9 Ų93.966%0.66365%0.645SS**Hα-helixtrans-67.8-36.7176.8-74-42.4000112.1A38 G39 A40D36-A38 PolarHBondContact O-N 2.94Å; D36-G39 PolarHBondContact O-N 3.11Å; D36-A40 PolarHBondContact O-N 2.73Å
37A40.4Very low39.8Very low64 Ų6491.7 Ų91.753%0.52964%0.642SS.*Hα-helixtrans-62.6-38.9172.800000112.9D33 A41D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.35Å; D33-A37 VanDerWaalsContact O-N 3.11Å; A37-A41 WeakPolarHBondContact O-CB 3.27Å; A37-A41 PolarHBondContact O-N 2.81Å; A37-A41 VanDerWaalsContact O-N 3.1Å
38A39.1Very low39.4Very low61 Ų6189 Ų8950%0.50463%0.633SS.*Hα-helixtrans-69.8-37.9176.300000112.4A34 A35 D36 A41 A42A34-A38 PolarHBondContact O-N 3.42Å; A35-A38 PolarHBondContact O-N 2.83Å; D36-A38 PolarHBondContact O-N 2.94Å; A38-A41 PolarHBondContact O-N 3.39Å; A38-A42 PolarHBondContact O-N 3.04Å
39G41.2Very low39.3Very low46 Ų4691 Ų9147%0.47463%0.628SS.*Hα-helixtrans-62.8-42.717400000112.8A35 D36 A42 A43A35-G39 PolarHBondContact O-N 3.25Å; D36-G39 PolarHBondContact O-N 3.11Å; G39-A42 PolarHBondContact O-N 2.84Å; G39-A43 PolarHBondContact O-N 3.42Å
40A42.5Very low39Very low67 Ų6797 Ų9755%0.55464%0.639SS**Hα-helixtrans-65.4-40175.900000112.7D36 A43 A44D36-A40 PolarHBondContact O-N 2.73Å; A40-A43 PolarHBondContact O-N 3.4Å; A40-A44 PolarHBondContact O-N 3.49Å
41A39.9Very low38.3Very low65 Ų6599.1 Ų99.154%0.53764%0.64SS.*Hα-helixtrans-67.1-37.6177.100000112.8A37 A38 A43 A44A37-A41 WeakPolarHBondContact O-CB 3.27Å; A37-A41 PolarHBondContact O-N 2.81Å; A37-A41 VanDerWaalsContact O-N 3.1Å; A38-A41 PolarHBondContact O-N 3.39Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 3.37Å; A41-A44 PolarHBondContact O-N 2.76Å
42A38.8Very low37.8Very low63 Ų63103.2 Ų103.252%0.52165%0.649SS.*Hα-helixtrans-66.5-34.2175.900000112.7A38 G39 A44 A45A38-A42 PolarHBondContact O-N 3.04Å; G39-A42 PolarHBondContact O-N 2.84Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.13Å; A42-A45 PolarHBondContact O-N 3.15Å
43A39.2Very low37.3Very low72 Ų72107.3 Ų107.360%0.59566%0.658SS**Hα-helixtrans-69.2-23.8175.700000113.6G39 A40 A41G39-A43 PolarHBondContact O-N 3.42Å; A40-A43 PolarHBondContact O-N 3.4Å; A41-A43 VanDerWaalsContact C-N 3.34Å; A41-A43 PolarHBondContact O-N 3.37Å
44A41.7Very low37Very low87 Ų87107.7 Ų107.772%0.71967%0.667SS**Hα-helixtrans-78.5-19174.200000113.4A40 A41 A42A40-A44 PolarHBondContact O-N 3.49Å; A41-A44 PolarHBondContact O-N 2.76Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.13Å
45A40.7Very low36.5Very low86 Ų86109.8 Ų109.871%0.71168%0.678SS**SBendtrans-88.8-10.6-178.400000114.1A42A42-A45 PolarHBondContact O-N 3.15Å
46V40.1Very low36.4Very low95 Ų95113.1 Ų113.158%0.57669%0.694SS**SBendtrans-116.7108.7172.6-1760000108Y48V46-Y48 VanDerWaalsContact C-N 3.33Å; V46-Y48 HydrophobicContact CG1-CD2 4.29Å; V46-Y48 PolarHBondContact O-N 3.46Å
47G35Very low36Very low78 Ų78111.1 Ų111.180%0.80470%0.703SS**  trans-65.479.8-171.600000115
48Y30.2Very low35.7Very low190 Ų190111.9 Ų111.975%0.74572%0.717SS**  trans-112.394.2157.4-83.2-82000108.9V46 F50V46-Y48 VanDerWaalsContact C-N 3.33Å; V46-Y48 HydrophobicContact CG1-CD2 4.29Å; V46-Y48 PolarHBondContact O-N 3.46Å; Y48-F50 PolarHBondContact O-N 3.46Å
49V35Very low35.5Very low130 Ų130116.1 Ų116.179%0.78874%0.736SS**  trans-67.586.9168179.70000108.2Q51V49-Q51 HydrophobicContact CG1-CG 4.44Å; V49-Q51 PolarHBondContact O-N 3.32Å
50F31Very low34.9Very low179 Ų179117.4 Ų117.479%0.78575%0.75SS**  trans-64.6104.2156.7-85.2-84.7000107.2Y48 Q52Y48-F50 PolarHBondContact O-N 3.46Å; F50-Q52 VanDerWaalsContact C-N 3.27Å; F50-Q52 PolarHBondContact O-N 3.48Å
51Q30.2Very low34.6Very low180 Ų180120.8 Ų120.884%0.84176%0.763SS**  trans-60.194.4165.5-73.6178.567.900108V49 R53V49-Q51 HydrophobicContact CG1-CG 4.44Å; V49-Q51 PolarHBondContact O-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.49Å
52Q31.5Very low34.1Very low181 Ų181121.2 Ų121.285%0.84677%0.774SS**  trans-63.1103.1168.2-75-172.4-3.400107.8F50 P54F50-Q52 VanDerWaalsContact C-N 3.27Å; F50-Q52 PolarHBondContact O-N 3.48Å; Q52-P54 VanDerWaalsContact O-CD 3.32Å; Q52-P54 WeakPolarHBondContact O-CD 3.11Å
53R28.7Very low33.9Very low227 Ų227125.1 Ų125.186%0.85779%0.791SS**  trans-54.5124165.8-93.2-175.8165.3-139.2-0.2108.5Q51 S55Q51-R53 PolarHBondContact O-N 3.49Å; R53-S55 PolarHBondContact O-N 3.13Å; R53-S55 VanDerWaalsContact O-N 3.07Å
54P33.8Very low33.4Very low131 Ų131125.4 Ų125.485%0.85180%0.801SS**  trans-64.7110.4164.4-16.330.9000108.2Q52Q52-P54 VanDerWaalsContact O-CD 3.32Å; Q52-P54 WeakPolarHBondContact O-CD 3.11Å
55S27.9Very low32.8Very low114 Ų114124.7 Ų124.780%0.79780%0.802SS**  trans-88.8122.2169.7-121.80000108.4R53R53-S55 PolarHBondContact O-N 3.13Å; R53-S55 VanDerWaalsContact O-N 3.07Å
56P36.8Very low32.6Very low135 Ų135128.3 Ų128.388%0.87782%0.815SS**  trans-79.4124.7-173.330.2-33.9000112
57G32.4Very low32Very low83 Ų83127.5 Ų127.586%0.85683%0.826SS**  trans166108.8168.700000113.4
58G33.2Very low32Very low80 Ų80127.9 Ų127.983%0.82583%0.83SS**  trans152.647.1175.800000115.9G60G58-G60 PolarHBondContact O-N 3.18Å
59V35.2Very low32Very low149 Ų149122.1 Ų122.190%0.90383%0.828SS**  trans-84.8106.2170.9-172.70000108.6
60G30.2Very low32.1Very low74 Ų74123 Ų12376%0.76383%0.833SS**  trans-130.910117800000111.1G58G58-G60 PolarHBondContact O-N 3.18Å
61V34.3Very low32.5Very low138 Ų138120.1 Ų120.184%0.83683%0.833SS**  trans-85.5129.9176.7176.50000109.5
62G29.5Very low32.8Very low74 Ų74115 Ų11576%0.76383%0.828SS**  trans-167.8115.9173.100000111.7
63V35Very low33Very low144 Ų144112.9 Ų112.987%0.87383%0.827SS**  trans-113.1134.4-172.7172.40000111
64G29.7Very low33.6Very low78 Ų78106.1 Ų106.180%0.80483%0.829SS**  trans92.9136.5163.500000115.5
65G28.9Very low33.6Very low72 Ų72103.4 Ų103.474%0.74282%0.817SS**  cis175.3165.7-7.100000113.2
66V36.5Very low34.5Very low162 Ų162105.6 Ų105.698%0.98283%0.826SS**  trans66.2101.5167.2-165.30000116.9
67G28.2Very low34.8Very low79 Ų79102.6 Ų102.681%0.81482%0.819SS**  trans165.947.4166.600000120.2
68G34.8Very low34.9Very low85 Ų85103.7 Ų103.788%0.87681%0.813SS**SBendtrans69.5115.7157.800000119.2
69G30.3Very low35.4Very low69 Ų69103.9 Ų103.971%0.71180%0.799SS**SBendtrans114.9120.317200000112.3P71G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.5Å
70V36.6Very low35.7Very low148 Ų148105.2 Ų105.290%0.89780%0.8SS**  trans-70.1121.7-169.4-179.50000111.9
71P38.1Very low36.4Very low120 Ų120109.3 Ų109.378%0.77980%0.799SS**  trans-108.4121.917332.8-18.4000112.4G69G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.5Å
72G37Very low36.7Very low72 Ų72108.9 Ų108.974%0.74279%0.788SS**  trans90.8111.315500000118
73V35.8Very low37Very low136 Ų136108.1 Ų108.182%0.82477%0.774SS**  trans-12477.3146.5-175.90000108.4A75V73-A75 HydrophobicContact CG1-CB 4.15Å
74G41.3Very low37.3Very low86 Ų86104.2 Ų104.289%0.88776%0.757SS**  trans-92.785.514800000107.3
75A33.4Very low37.8Very low74 Ų74103.9 Ų103.961%0.61275%0.747SS**  trans-143.5122.417600000110.5V73 G77V73-A75 HydrophobicContact CG1-CB 4.15Å; A75-G77 PolarHBondContact O-N 3.24Å
76V47.3Very low38.4Very low160 Ų160103.6 Ų103.697%0.9774%0.738SS**SBendtrans-65.1120.1166.3174.30000108
77G42.7Very low38.7Very low72 Ų72102.6 Ų102.674%0.74272%0.722SS**SBendtrans128.436.5163.700000120.1A75A75-G77 PolarHBondContact O-N 3.24Å
78S36Very low39.3Very low105 Ų105106.7 Ų106.773%0.73471%0.714SS**  trans-175.1140.1155.251.40000107.3
79T42.5Very low39.6Very low84 Ų84105.9 Ų105.952%0.51570%0.699SS.*  cis-145.9124.339.641.50000112.9H81 E82T79-H81 PolarHBondContact O-N 3.44Å; T79-E82 WeakPolarHBondContact CB-OE2 3.38Å; T79-E82 PolarHBondContact OG1-OE2 3.49Å
80L42Very low40.3Very low178 Ų178105.6 Ų105.693%0.93269%0.69SS**SBendtrans-7726.9168-80.4151.5000112.8
81H44.2Very low40.6Very low160 Ų160104.1 Ų104.174%0.74167%0.673SS**SBendtrans-121.9-35.2-169.4-138.578.3000114T79 A83T79-H81 PolarHBondContact O-N 3.44Å; H81-A83 VanDerWaalsContact C-N 3.33Å; H81-A83 PolarHBondContact O-N 3.21Å
82E40.1Very low41Very low128 Ų128104.3 Ų104.360%0.59866%0.662SS**Hα-helixtrans-69.5-26.9171.3-82.278.1-167.100113.3T79 A84 A85T79-E82 WeakPolarHBondContact CB-OE2 3.38Å; T79-E82 PolarHBondContact OG1-OE2 3.49Å; E82-A84 PolarHBondContact O-N 3.29Å; E82-A85 PolarHBondContact O-N 3.49Å
83A37.3Very low41.3Very low59 Ų59103.7 Ų103.749%0.48865%0.649SS.*Hα-helixtrans-62.4-39.3-17800000113.3H81 A85 A86 E87H81-A83 VanDerWaalsContact C-N 3.33Å; H81-A83 PolarHBondContact O-N 3.21Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.27Å; A83-A86 PolarHBondContact O-N 3.19Å; A83-E87 PolarHBondContact O-N 3.27Å
84A41Very low41.8Very low62 Ų62102.6 Ų102.651%0.51264%0.635SS.*Hα-helixtrans-68.5-26.3-178.600000113.4E82E82-A84 PolarHBondContact O-N 3.29Å
85A38.8Very low42Very low70 Ų70104.5 Ų104.558%0.57962%0.619SS**Hα-helixtrans-73.9-33.5177.700000112.3E82 A83E82-A85 PolarHBondContact O-N 3.49Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.27Å
86A41.9Very low42.6Very low67 Ų67107.5 Ų107.555%0.55462%0.621SS**Hα-helixtrans-69.5-38176.800000112.2A83 Y88 A89 A90A83-A86 PolarHBondContact O-N 3.19Å; A86-Y88 PolarHBondContact O-N 3.44Å; A86-A89 PolarHBondContact O-N 3.09Å; A86-A90 PolarHBondContact O-N 3.47Å
87E44.1Very low42.6Very low140 Ų140106.8 Ų106.865%0.65461%0.607SS**Hα-helixtrans-64.9-37.1178.6-68.1-179.1162.500112.4A83 A89 A90 H91A83-E87 PolarHBondContact O-N 3.27Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-A90 PolarHBondContact O-N 3.33Å; E87-H91 PolarHBondContact O-N 2.54Å; E87-H91 VanDerWaalsContact O-N 3.1Å
88Y39.7Very low42.7Very low166 Ų166109.7 Ų109.765%0.65160%0.601SS**Hα-helixtrans-66.1-37.3177.1-163.6-95.7000112.7A86 H91 F92A86-Y88 PolarHBondContact O-N 3.44Å; Y88-H91 PolarHBondContact O-N 3.05Å; Y88-F92 HydrophobicContact CE1-CD2 4.04Å; Y88-F92 HydrophobicContact CE1-CE2 4.26Å; Y88-F92 PolarHBondContact O-N 3.11Å
89A42.3Very low43Very low67 Ų67108.5 Ų108.555%0.55459%0.589SS**Hα-helixtrans-67.4-40.7176.700000112.2A86 E87 F92 A93A86-A89 PolarHBondContact O-N 3.09Å; E87-A89 PolarHBondContact O-N 3.36Å; A89-F92 PolarHBondContact O-N 3.29Å; A89-A93 PolarHBondContact O-N 3.5Å
90A43.5Very low42.9Very low63 Ų63114.7 Ų114.752%0.52160%0.603SS.*Hα-helixtrans-62.1-42.1174.700000112A86 E87 F92 A93 Q94A86-A90 PolarHBondContact O-N 3.47Å; E87-A90 PolarHBondContact O-N 3.33Å; A90-F92 VanDerWaalsContact C-N 3.29Å; A90-F92 PolarHBondContact O-N 3.47Å; A90-A93 PolarHBondContact O-N 3.31Å; A90-Q94 PolarHBondContact O-N 3.35Å
91H42.8Very low42.8Very low118 Ų118116.2 Ų116.255%0.54660%0.597SS.*Hα-helixtrans-63.5-31.9178.9-124-66.9000113.4E87 Y88 K95E87-H91 PolarHBondContact O-N 2.54Å; E87-H91 VanDerWaalsContact O-N 3.1Å; Y88-H91 PolarHBondContact O-N 3.05Å; H91-K95 PolarHBondContact O-N 3.1Å
92F46.7Very low42.6Very low124 Ų124112.2 Ų112.254%0.54459%0.591SS.*Hα-helixtrans-72.3-40.6175.8-126.2-84.9000112.2Y88 A89 A90 K95 Q96Y88-F92 HydrophobicContact CE1-CD2 4.04Å; Y88-F92 HydrophobicContact CE1-CE2 4.26Å; Y88-F92 PolarHBondContact O-N 3.11Å; A89-F92 PolarHBondContact O-N 3.29Å; A90-F92 VanDerWaalsContact C-N 3.29Å; A90-F92 PolarHBondContact O-N 3.47Å; F92-K95 PolarHBondContact O-N 3.42Å; F92-Q96 PolarHBondContact O-N 3.45Å
93A44.8Very low42.5Very low58 Ų58110.8 Ų110.848%0.47960%0.595SS.*Hα-helixtrans-63.6-41.2175.300000111.8A89 A90 Q96 Q97A89-A93 PolarHBondContact O-N 3.5Å; A90-A93 PolarHBondContact O-N 3.31Å; A93-Q96 PolarHBondContact O-N 3.03Å; A93-Q97 PolarHBondContact O-N 3.02Å
94Q46.3Very low42.6Very low114 Ų114111.3 Ų111.353%0.53361%0.606SS.*Hα-helixtrans-67.1-37.4178.4-148.5177.530.200112.1A90 Q97 Q98A90-Q94 PolarHBondContact O-N 3.35Å; Q94-Q97 PolarHBondContact O-N 3.5Å; Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.12Å
95K44.2Very low42.6Very low126 Ų126114.3 Ų114.355%0.54861%0.613SS.*Hα-helixtrans-62.1-41.7173.1-81.6-171.5176.6-174.90112.7H91 F92 Q97 Q98 T99H91-K95 PolarHBondContact O-N 3.1Å; F92-K95 PolarHBondContact O-N 3.42Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 PolarHBondContact O-N 3.03Å; K95-Q98 PolarHBondContact O-N 3.04Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.39Å; K95-T99 VanDerWaalsContact O-OG1 3.11Å
96Q47Very low42.8Very low137 Ų137118.8 Ų118.864%0.6463%0.627SS**Hα-helixtrans-64.6-32.5176-68.6-149.9-1.800112.9F92 A93 Q98 R100F92-Q96 PolarHBondContact O-N 3.45Å; A93-Q96 PolarHBondContact O-N 3.03Å; Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.44Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.04Å
97Q46Very low43Very low144 Ų144118 Ų11867%0.67363%0.625SS**Hα-helixtrans-71.3-21.2172.3-67.9-169.19.600113.8A93 Q94 K95A93-Q97 PolarHBondContact O-N 3.02Å; Q94-Q97 PolarHBondContact O-N 3.5Å; K95-Q97 VanDerWaalsContact C-N 3.27Å; K95-Q97 PolarHBondContact O-N 3.03Å
98Q45.2Very low42.7Very low134 Ų134120.2 Ų120.263%0.62664%0.635SS**Hα-helixtrans-85.7-42.6170.4-70.1178.2-1000111.6Q94 K95 Q96 R100 W101 A102Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.12Å; K95-Q98 PolarHBondContact O-N 3.04Å; Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.44Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.43Å; Q98-W101 PolarHBondContact O-N 3.29Å; Q98-A102 PolarHBondContact O-N 3.39Å
99T43.3Very low42.6Very low80 Ų80115.6 Ų115.649%0.49164%0.639SS.*Hα-helixtrans-65.3-33.6179.1-540000112.8K95 W101 A102 C103K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.39Å; K95-T99 VanDerWaalsContact O-OG1 3.11Å; T99-W101 PolarHBondContact O-N 3.1Å; T99-W101 VanDerWaalsContact O-N 3.13Å; T99-A102 PolarHBondContact O-N 3.33Å; T99-C103 PolarHBondContact O-N 3.46Å
100R39.1Very low43Very low213 Ų213120.9 Ų120.980%0.80466%0.655SS**THydrogen-bonded Turntrans-65.5-11.9173.8-175.3163.8172.5-102.4-2.6114Q96 Q98Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.04Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.43Å
101W39.9Very low42.8Very low210 Ų210125.2 Ų125.280%0.79567%0.67SS**THydrogen-bonded Turntrans-106-5.4171.9-6566.1000112.7Q98 T99Q98-W101 PolarHBondContact O-N 3.29Å; T99-W101 PolarHBondContact O-N 3.1Å; T99-W101 VanDerWaalsContact O-N 3.13Å
102A41.2Very low42.5Very low76 Ų76123.6 Ų123.663%0.62867%0.665SS**THydrogen-bonded Turntrans-105.5-2-179.900000113.6Q98 T99Q98-A102 PolarHBondContact O-N 3.39Å; T99-A102 PolarHBondContact O-N 3.33Å
103C37.4Very low42.6Very low99 Ų99121.8 Ų121.867%0.66967%0.666SS**SBendtrans-121.780.2176.6-59.10000109.1T99T99-C103 PolarHBondContact O-N 3.46Å
104G39.8Very low42.7Very low70 Ų70124.3 Ų124.372%0.72267%0.671SS**SBendtrans156.94.7-177.600000117
105D41.2Very low42.6Very low124 Ų124126.6 Ų126.666%0.66368%0.679SS**  trans-121.956.3172.1-168.229000110.5G107D105-G107 PolarHBondContact O-N 3Å
106D42.7Very low42.6Very low165 Ų165130.8 Ų130.888%0.88269%0.692SS**  trans-75.567.6171.8-69.9-50.7000110.2
107G46.8Very low42.5Very low49 Ų49132.3 Ų132.351%0.50570%0.696SS.*SBendtrans68.997.816000000116.8D105D105-G107 PolarHBondContact O-N 3Å
108H37Very low42.4Very low187 Ų187135.8 Ų135.887%0.86671%0.705SS**  -150.1141.1116.1-82.9-53.4000109.4
109G36.8Very low42.2Very low70 Ų70135.3 Ų135.372%0.72271%0.707SS**  trans-57.7153.7-168.100000114.5D111G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å
110I50.3Low42.1Very low177 Ų177136.1 Ų136.191%0.90871%0.713SS**  trans-60.193.9172.6-57.8173000108.9
111D40.1Very low42.4Very low155 Ų155132.1 Ų132.183%0.82972%0.715SS**  trans-141.2131.6170.5-107.5-43.4000111.8G109G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å
112N37.4Very low42.4Very low84 Ų84129.9 Ų129.945%0.44972%0.716SS.*  trans74.990.1168.1-153.793.9000118.8D114N112-D114 WeakPolarHBondContact ND2-CB 3.5Å; N112-D114 PolarHBondContact ND2-N 3.44Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.14Å
113P47.1Very low42.3Very low85 Ų85132.3 Ų132.355%0.55272%0.718SS**G310 helixtrans-65.3-14.7177.927.7-35.2000115.3K115P113-K115 PolarHBondContact O-N 3.33Å
114D46.9Very low42.6Very low111 Ų111133.2 Ų133.259%0.59472%0.722SS**G310 helixtrans-71.8-7-178.9-59.6-65.3000114.9N112 W116 K117N112-D114 WeakPolarHBondContact ND2-CB 3.5Å; N112-D114 PolarHBondContact ND2-N 3.44Å; N112-D114 PolarHBondContact O-N 3.41Å; N112-D114 VanDerWaalsContact O-N 3.14Å; D114-W116 PolarHBondContact O-N 3.32Å; D114-K117 PolarHBondContact O-N 3.07Å
115K45.3Very low42.7Very low162 Ų162133.6 Ų133.670%0.70472%0.719SS**G310 helixtrans-66.1-23.5178-64.8-72.2-174.7173.70112.8P113 K117P113-K115 PolarHBondContact O-N 3.33Å; K115-K117 PolarHBondContact O-N 3.14Å
116W43.8Very low42.9Very low215 Ų215135 Ų13581%0.81473%0.726SS**G310 helixtrans-73.6-11-176.2-50.5-22.7000114D114 Y118D114-W116 PolarHBondContact O-N 3.32Å; W116-Y118 PolarHBondContact O-N 3.35Å
117K46Very low42.8Very low168 Ų168131.7 Ų131.773%0.7372%0.722SS**G310 helixtrans-80.70.7-176.2-145.9163.868.8-170.30114.4D114 K115D114-K117 PolarHBondContact O-N 3.07Å; K115-K117 PolarHBondContact O-N 3.14Å
118Y42.6Very low42.3Very low217 Ų217133.3 Ų133.385%0.85173%0.731SS**  trans-132.570172.2-76.2-79.3000111.8W116W116-Y118 PolarHBondContact O-N 3.35Å
119N42.3Very low42.3Very low125 Ų125130.5 Ų130.567%0.66873%0.729SS**  trans-108.3117.5154.2-165.950000107.8
120P41.2Very low42.2Very low96 Ų96131 Ų13162%0.62374%0.735SS**  trans-62.3154171.528.9-33.8000109.3M122P120-M122 PolarHBondContact O-N 3.29Å
121P44Very low41.7Very low130 Ų130125.8 Ų125.884%0.84472%0.724SS**  trans-62.4109-178.425.2-33.4000110.1N123P121-N123 PolarHBondContact O-N 3.3Å
122M39.6Very low41.8Very low163 Ų163124.2 Ų124.280%0.80372%0.722SS**  trans-61.2108.9169-81.9-122.1-69.800108.5P120 P124P120-M122 PolarHBondContact O-N 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.49Å
123N41Very low41.9Very low126 Ų126126.9 Ų126.967%0.67474%0.744SS**  trans-61124.1174.4-175.22.8000109P121 A125P121-N123 PolarHBondContact O-N 3.3Å; N123-A125 PolarHBondContact O-N 3.21Å
124P42.4Very low41.3Very low118 Ų118126.4 Ų126.477%0.76676%0.755SS**G310 helixtrans-60.2-8.6-176.7-26.635.7000115.8M122 N126M122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-N126 VanDerWaalsContact C-N 3.28Å; P124-N126 PolarHBondContact O-N 3.34Å
125A43.1Very low41Very low79 Ų79129.2 Ų129.265%0.65377%0.77SS**G310 helixtrans-68.2-10.8-173.200000116.3N123N123-A125 PolarHBondContact O-N 3.21Å
126N44.1Very low40.6Very low153 Ų153124.5 Ų124.582%0.81877%0.767SS**G310 helixtrans-124.822.3-170.4-148.689.2000115.5P124P124-N126 VanDerWaalsContact C-N 3.28Å; P124-N126 PolarHBondContact O-N 3.34Å
127A40.7Very low40.4Very low96 Ų96120.2 Ų120.279%0.79377%0.77SS**  trans-104.229.117400000113.1
128A36.2Very low40.4Very low83 Ų83120.6 Ų120.669%0.68678%0.78SS**PPolyproline II helixtrans-80.5136.517400000110.8
129P36.5Very low39.9Very low127 Ų127114 Ų11483%0.82578%0.778SS**PPolyproline II helixtrans-56.2139172-24.734.6000111.7G131P129-G131 PolarHBondContact O-N 3.39Å
130G35.9Very low39.5Very low82 Ų82111.3 Ų111.385%0.84578%0.78SS**PPolyproline II helixtrans-58129.3-171.800000113.9
131G39.5Very low39.8Very low66 Ų66113.7 Ų113.768%0.6880%0.796SS**PPolyproline II helixtrans-73.2165.216900000112.7P129P129-G131 PolarHBondContact O-N 3.39Å
132P41.4Very low39.4Very low122 Ų122110.5 Ų110.579%0.79279%0.787SS**PPolyproline II helixtrans-64.3155.4-178.328-35.2000112.4G134P132-G134 PolarHBondContact O-N 3.08Å
133P40.6Very low39.8Very low141 Ų141108.1 Ų108.192%0.91679%0.792SS**  trans-66.3104.3-170.525.9-34.4000112.3
134G35.1Very low39.8Very low75 Ų75109.1 Ų109.177%0.77380%0.796SS**  trans-94.2136.2175.900000112.4P132P132-G134 PolarHBondContact O-N 3.08Å
135N39.9Very low39.5Very low170 Ų170106.4 Ų106.491%0.90979%0.79SS**  trans-86.3115.5-167.8-176.975.3000114
136G36.5Very low39.9Very low63 Ų63109.9 Ų109.965%0.64980%0.803SS**  trans82.8144148.200000120
137S40.2Very low39.9Very low125 Ų125109.3 Ų109.387%0.87480%0.799SS**  trans78.2104.8159.8-58.80000120
138N44.9Very low39.8Very low175 Ų175107.8 Ų107.894%0.93679%0.792SS**  trans9.1115.8148.8-66.2-13.5000119.1
139G33.7Very low40.1Very low79 Ų79113.8 Ų113.881%0.81481%0.808SS**  trans172.4124160.300000113.2
140G32.9Very low40.3Very low69 Ų69111 Ų11171%0.71180%0.803SS**  trans-73.5173.717000000112.8G142G140-G142 PolarHBondContact O-N 3.08Å; G140-G142 VanDerWaalsContact O-N 3.13Å
141P47Very low40.6Very low146 Ų146113.7 Ų113.795%0.94881%0.809SS**  trans-74.2106.3-168.529.6-34.9000112.7
142G36.1Very low40.6Very low63 Ų63113.6 Ų113.665%0.64981%0.808SS**  trans-96.2126.8163.100000110.5G140 I144G140-G142 PolarHBondContact O-N 3.08Å; G140-G142 VanDerWaalsContact O-N 3.13Å; G142-I144 PolarHBondContact O-N 3.4Å
143A48.4Very low40.6Very low112 Ų112116.8 Ų116.893%0.92682%0.817SS**  trans-67.8115173.900000110.2
144I40.8Very low40.4Very low147 Ų147113.5 Ų113.575%0.75481%0.809SS**  trans-116.1126.4169.2-60.6-177.4000107G142 I147G142-I144 PolarHBondContact O-N 3.4Å; I144-I147 HydrophobicContact CG2-CD1 4.08Å
145G37Very low40.5Very low61 Ų61113.8 Ų113.863%0.62981%0.812SS**  trans-73.2-173.3-160.400000115.6I147G145-I147 VanDerWaalsContact C-N 3.32Å; G145-I147 PolarHBondContact O-N 3.35Å
146T51.4Low40.3Very low153 Ų153109.9 Ų109.994%0.93981%0.812SS**  trans-60.486.6173.447.60000111.6G148T146-G148 PolarHBondContact O-N 3.11Å
147I42.3Very low40.2Very low141 Ų141111 Ų11172%0.72382%0.823SS**  trans-78.8106.8169.2-63.5173.2000107.3I144 G145I144-I147 HydrophobicContact CG2-CD1 4.08Å; G145-I147 VanDerWaalsContact C-N 3.32Å; G145-I147 PolarHBondContact O-N 3.35Å
148G39.1Very low39.9Very low64 Ų64108.3 Ų108.366%0.6682%0.815SS**  trans-62.8136.5177.300000111.7T146 G150T146-G148 PolarHBondContact O-N 3.11Å; G148-G150 PolarHBondContact O-N 3.33Å
149M43.3Very low39.5Very low208 Ų208106 Ų106100%1.02581%0.813SS**SBendtrans-69.4101.7167.1-70.9-176.9177.400108.8
150G40Very low39.6Very low69 Ų69106 Ų10671%0.71181%0.812SS**  trans-166.744.9-174.100000112.6G148 G152G148-G150 PolarHBondContact O-N 3.33Å; G150-G152 PolarHBondContact O-N 3.49Å; G150-G152 VanDerWaalsContact O-N 3.13Å
151S42.3Very low39.9Very low139 Ų139108.1 Ų108.197%0.97282%0.823SS**  trans-69.4106.7171.4-168.50000109
152G39Very low39.3Very low64 Ų64104.9 Ų104.966%0.6682%0.817SS**  trans-169.949.7-169.800000113G150 G154G150-G152 PolarHBondContact O-N 3.49Å; G150-G152 VanDerWaalsContact O-N 3.13Å; G152-G154 PolarHBondContact O-N 2.95Å; G152-G154 VanDerWaalsContact O-N 3.08Å
153L42.2Very low39.6Very low188 Ų188106.1 Ų106.198%0.98483%0.829SS**  trans-67.9102.5165.7-96.875.5000109
154G36.7Very low38.9Very low72 Ų72104.2 Ų104.274%0.74282%0.821SS**  trans-164.6115.7174.200000112.6G152G152-G154 PolarHBondContact O-N 2.95Å; G152-G154 VanDerWaalsContact O-N 3.08Å
155G36.8Very low39.1Very low82 Ų82104.9 Ų104.985%0.84583%0.826SS**  trans76.3104.1162.900000116.1
156G35.5Very low39.3Very low87 Ų87110 Ų11090%0.89784%0.839SS**  trans-80.5150.8159.600000111.6
157G34.7Very low38.5Very low86 Ų86106.4 Ų106.489%0.88783%0.833SS**  trans104.6136.3164.500000115.3
158G34Very low38.2Very low69 Ų69103.4 Ų103.471%0.71184%0.836SS**  trans121.386.8165.600000115.4
159S36.6Very low38.1Very low128 Ų128106.9 Ų106.990%0.89585%0.851SS**  trans12.5133.9130.154.80000119.4
160G35.8Very low37.9Very low77 Ų77100.4 Ų100.479%0.79484%0.837SS**  trans160.8111.8151.700000115.8
161A38.6Very low38.4Very low114 Ų114103.6 Ų103.694%0.94284%0.843SS**  trans-60154162.300000112.4
162G35.4Very low38.6Very low78 Ų78105 Ų10580%0.80484%0.839SS**  trans157.4110.2163.800000113.8
163G41.5Very low38.6Very low89 Ų89105.6 Ų105.692%0.91885%0.846SS**  trans-74.9148161.300000110.3
164G33.9Very low38.4Very low73 Ų7399.2 Ų99.275%0.75383%0.825SS**  trans-159.4103.8178.600000111.8
165N44.2Very low38.9Very low160 Ų160104.2 Ų104.286%0.85683%0.834SS**  trans-77.6158.6160.7-78.44.1000109.5
166N42.7Very low39.4Very low169 Ų169107.8 Ų107.890%0.90483%0.828SS**  trans75.6135.2-175.7-52.3-14.9000114.4
167G34.5Very low39.7Very low78 Ų78111.4 Ų111.480%0.80482%0.821SS**  cis156.6153.6-9.200000113.1
168G36.2Very low40.2Very low77 Ų77115.8 Ų115.879%0.79482%0.819SS**  trans108.3150.5156.300000118.1
169S37.1Very low40.6Very low138 Ų138116.4 Ų116.497%0.96581%0.812SS**  trans74.5113.6170.8-141.50000117.2
170G37.8Very low40.8Very low71 Ų71117.3 Ų117.373%0.73280%0.804SS**  cis-159.4136.6-100000114.3N172G170-N172 PolarHBondContact O-N 3.04Å
171T50.9Low41.2Very low137 Ų137117 Ų11784%0.8479%0.794SS**  trans-74.1109.9168.3-52.60000109.1
172N47Very low41.3Very low168 Ų168114.5 Ų114.590%0.89877%0.774SS**  trans-177.480.4149.8-92.3-22.7000110.5G170G170-N172 PolarHBondContact O-N 3.04Å
173G38.8Very low41.7Very low77 Ų77113.1 Ų113.179%0.79475%0.754SS**  trans-136.9115.1167.400000107.9
174G37.8Very low41.7Very low53 Ų53111.8 Ų111.855%0.54673%0.734SS.*  trans-74.8144-157.200000116.1H176G174-H176 PolarHBondContact O-CD2 3.17Å; G174-H176 PolarHBondContact O-N 3.45Å
175L46.7Very low42.2Very low178 Ų178111.4 Ų111.493%0.93273%0.725SS**SBend52.23.7126.5-61.2171.9000121.4
176H46.7Very low42.2Very low156 Ų156108.9 Ų108.972%0.72271%0.711SS**  trans-108.810.7-170.4-76.9-87.4000116.1G174G174-H176 PolarHBondContact O-CD2 3.17Å; G174-H176 PolarHBondContact O-N 3.45Å
177H43.7Very low42.1Very low163 Ų163106.6 Ų106.676%0.75570%0.696SS**SBendtrans-119.50.1-176.4-80.9-86.7000116.9
178Q44.3Very low42.4Very low179 Ų179105.4 Ų105.484%0.83668%0.679SS**Hα-helixtrans-82.8-24.7173.7-78.3-174.1-12.900113.9
179S41.9Very low42.8Very low82 Ų82104.2 Ų104.257%0.57366%0.661SS**Hα-helixtrans-74.4-36.1-17654.10000114.3A183S179-A183 PolarHBondContact O-N 2.87Å
180M41.8Very low42.9Very low146 Ų146104 Ų10472%0.71965%0.647SS**Hα-helixtrans-71.6-35.3179.5-77.6-169.617900113.4A183 A184M180-A183 PolarHBondContact O-N 3.47Å; M180-A184 PolarHBondContact O-N 3.26Å
181A42.8Very low43.5Very low70 Ų70107.7 Ų107.758%0.57965%0.645SS**Hα-helixtrans-64.2-41.1177.900000111.7A185A181-A185 PolarHBondContact O-N 3.48Å
182A42.5Very low43.4Very low63 Ų63107.9 Ų107.952%0.52164%0.636SS.*Hα-helixtrans-67.2-38.9174.900000112.7A185 N186A182-A185 PolarHBondContact O-N 3.26Å; A182-N186 WeakPolarHBondContact O-CB 3.33Å; A182-N186 PolarHBondContact O-N 3.43Å; A182-N186 VanDerWaalsContact O-N 3.1Å
183A43.4Very low43.2Very low48 Ų48102.8 Ų102.840%0.39762%0.618SS.*Hα-helixtrans-65.6-38.2177.700000112.9S179 M180 N186 M187S179-A183 PolarHBondContact O-N 2.87Å; M180-A183 PolarHBondContact O-N 3.47Å; A183-N186 PolarHBondContact O-N 3.1Å; A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.41Å
184A41.3Very low43.4Very low61 Ų61102 Ų10250%0.50460%0.604SS.*Hα-helixtrans-66.4-42.6176.200000112.4M180 N186 M187 A188M180-A184 PolarHBondContact O-N 3.26Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.03Å; A184-M187 PolarHBondContact O-N 3.35Å; A184-A188 PolarHBondContact O-N 3.18Å
185A44.4Very low43.5Very low66 Ų66102.6 Ų102.655%0.54560%0.603SS.*Hα-helixtrans-62.3-39.9175.800000112.3A181 A182 M187 A188 A189A181-A185 PolarHBondContact O-N 3.48Å; A182-A185 PolarHBondContact O-N 3.26Å; A185-M187 PolarHBondContact O-N 3.34Å; A185-A188 PolarHBondContact O-N 3.26Å; A185-A189 PolarHBondContact O-N 3.34Å
186N44.8Very low43.5Very low106 Ų10699.4 Ų99.457%0.56759%0.587SS**Hα-helixtrans-68.5-33.2-179-155.414.6000112.8A182 A183 A184 M190A182-N186 WeakPolarHBondContact O-CB 3.33Å; A182-N186 PolarHBondContact O-N 3.43Å; A182-N186 VanDerWaalsContact O-N 3.1Å; A183-N186 PolarHBondContact O-N 3.1Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.03Å; N186-M190 PolarHBondContact O-N 3.21Å
187M40.4Very low43.4Very low121 Ų12194.8 Ų94.860%0.59658%0.575SS**Hα-helixtrans-70.4-35.9173.7-81.8-177.1-82.100113.2A183 A184 A185 M190 Q191A183-M187 WeakPolarHBondContact O-CE 3.5Å; A183-M187 PolarHBondContact O-N 3.41Å; A184-M187 PolarHBondContact O-N 3.35Å; A185-M187 PolarHBondContact O-N 3.34Å; M187-M190 PolarHBondContact O-N 2.99Å; M187-Q191 PolarHBondContact O-N 3.25Å
188A40.5Very low43.2Very low53 Ų5394.5 Ų94.544%0.43857%0.572SS.*Hα-helixtrans-64.4-40.8175.700000111.9A184 A185 Q191 Q192A184-A188 PolarHBondContact O-N 3.18Å; A185-A188 PolarHBondContact O-N 3.26Å; A188-Q191 PolarHBondContact O-N 3.23Å; A188-Q192 PolarHBondContact O-N 3.29Å
189A43.7Very low43Very low52 Ų5291.3 Ų91.343%0.4356%0.557SS.*Hα-helixtrans-63-40.8175.400000112.6A185 Q191 Q192 A193A185-A189 PolarHBondContact O-N 3.34Å; A189-Q191 PolarHBondContact O-N 3.33Å; A189-Q192 PolarHBondContact O-N 3.45Å; A189-A193 PolarHBondContact O-N 3.34Å; A189-A193 VanDerWaalsContact O-N 3.08Å
190M40.6Very low43.1Very low133 Ų13392.1 Ų92.166%0.65556%0.555SS**Hα-helixtrans-64.2-35.9176.2-80.3-169.3175.700113.4N186 M187 A193 A194N186-M190 PolarHBondContact O-N 3.21Å; M187-M190 PolarHBondContact O-N 2.99Å; M190-A193 PolarHBondContact O-N 3.22Å; M190-A194 WeakPolarHBondContact O-CB 3.42Å; M190-A194 PolarHBondContact O-N 3.38Å
191Q49.8Very low43.2Very low150 Ų15091.5 Ų91.570%0.70155%0.55SS**Hα-helixtrans-68-35.9176.9-73.6-177.9-8.600112.4M187 A188 A189 A194 A195M187-Q191 PolarHBondContact O-N 3.25Å; A188-Q191 PolarHBondContact O-N 3.23Å; A189-Q191 PolarHBondContact O-N 3.33Å; Q191-A194 PolarHBondContact O-N 3.4Å; Q191-A195 PolarHBondContact O-N 3.24Å
192Q48.5Very low43.1Very low140 Ų14094.2 Ų94.265%0.65455%0.552SS**Hα-helixtrans-67.6-40.2173.6-70179.3-23.700112A188 A189 A195 L196A188-Q192 PolarHBondContact O-N 3.29Å; A189-Q192 PolarHBondContact O-N 3.45Å; Q192-A195 PolarHBondContact O-N 3.48Å; Q192-L196 PolarHBondContact O-N 3.1Å; Q192-L196 VanDerWaalsContact O-N 3.08Å
193A42.9Very low43.2Very low61 Ų6195.5 Ų95.550%0.50455%0.549SS..Hα-helixtrans-62.3-41.3173.600000112.6A189 M190 L196 A197A189-A193 PolarHBondContact O-N 3.34Å; A189-A193 VanDerWaalsContact O-N 3.08Å; M190-A193 PolarHBondContact O-N 3.22Å; A193-L196 PolarHBondContact O-N 3.47Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.49Å
194A42Very low43.3Very low61 Ų6196.6 Ų96.650%0.50455%0.554SS.*Hα-helixtrans-66.6-36.2176.500000113.1M190 Q191 A197 K198M190-A194 WeakPolarHBondContact O-CB 3.42Å; M190-A194 PolarHBondContact O-N 3.38Å; Q191-A194 PolarHBondContact O-N 3.4Å; A194-A197 PolarHBondContact O-N 3.05Å; A194-K198 PolarHBondContact O-N 3.01Å; A194-K198 VanDerWaalsContact O-N 3.11Å
195A40.9Very low43.6Very low65 Ų65100 Ų10054%0.53756%0.56SS.*Hα-helixtrans-65.7-42.5174.600000112.1Q191 Q192 K198 H199Q191-A195 PolarHBondContact O-N 3.24Å; Q192-A195 PolarHBondContact O-N 3.48Å; A195-K198 PolarHBondContact O-N 3.11Å; A195-H199 PolarHBondContact O-N 2.83Å; A195-H199 VanDerWaalsContact O-N 3.1Å
196L45.6Very low43.7Very low111 Ų11199.9 Ų99.958%0.58156%0.558SS**Hα-helixtrans-67-37.1175.8-74.9163.8000112.5Q192 A193 K198 H199 N200Q192-L196 PolarHBondContact O-N 3.1Å; Q192-L196 VanDerWaalsContact O-N 3.08Å; A193-L196 PolarHBondContact O-N 3.47Å; L196-K198 PolarHBondContact O-N 3.46Å; L196-H199 PolarHBondContact O-N 3.45Å; L196-N200 PolarHBondContact O-N 3.25Å
197A45.2Very low43.8Very low59 Ų5998 Ų9849%0.48856%0.558SS.*Hα-helixtrans-61-42.9172.800000111.9A193 A194 H199 N200 H201A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.49Å; A194-A197 PolarHBondContact O-N 3.05Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3.12Å; A197-N200 PolarHBondContact O-N 3.36Å; A197-H201 PolarHBondContact O-N 3.23Å
198K40.7Very low44.1Very low157 Ų15795.2 Ų95.268%0.68355%0.554SS**Hα-helixtrans-66.6-31.3176.8-162.1176.3-176.5-178.20112.7A194 A195 L196A194-K198 PolarHBondContact O-N 3.01Å; A194-K198 VanDerWaalsContact O-N 3.11Å; A195-K198 PolarHBondContact O-N 3.11Å; L196-K198 PolarHBondContact O-N 3.46Å
199H38.6Very low44.4Very low112 Ų11295.5 Ų95.552%0.51956%0.557SS.*Hα-helixtrans-69.3-48174.7-168.7-118.4000112A195 L196 A197 H201 M202 I203A195-H199 PolarHBondContact O-N 2.83Å; A195-H199 VanDerWaalsContact O-N 3.1Å; L196-H199 PolarHBondContact O-N 3.45Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3.12Å; H199-H201 VanDerWaalsContact C-N 3.32Å; H199-H201 PolarHBondContact O-N 3.24Å; H199-M202 PolarHBondContact O-N 3.06Å; H199-I203 PolarHBondContact O-N 3.33Å
200N43.9Very low44.8Very low100 Ų10097.4 Ų97.454%0.53556%0.562SS.*Hα-helixtrans-61.8-37.5176.1-85.4-37.2000112.8L196 A197 M202 I203 S204L196-N200 PolarHBondContact O-N 3.25Å; A197-N200 PolarHBondContact O-N 3.36Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.39Å; N200-I203 PolarHBondContact O-N 3.28Å; N200-S204 PolarHBondContact O-N 2.84Å; N200-S204 VanDerWaalsContact O-N 3.09Å; N200-S204 PolarHBondContact O-OG 3.14Å
201H44Very low45.1Very low133 Ų13394.4 Ų94.462%0.61656%0.559SS**Hα-helixtrans-66.4-29.4-178.9-144-32.3000113.3A197 H199 Q205A197-H201 PolarHBondContact O-N 3.23Å; H199-H201 VanDerWaalsContact C-N 3.32Å; H199-H201 PolarHBondContact O-N 3.24Å; H201-Q205 PolarHBondContact O-N 3.17Å
202M40.9Very low44.9Very low126 Ų12690.5 Ų90.562%0.62155%0.552SS**Hα-helixtrans-75.7-41.7177-135.8-176.4-54.300111.8H199 N200 S204 Q205 A206H199-M202 PolarHBondContact O-N 3.06Å; N200-M202 VanDerWaalsContact C-N 3.27Å; N200-M202 PolarHBondContact O-N 3.39Å; M202-S204 VanDerWaalsContact C-N 3.34Å; M202-S204 PolarHBondContact O-N 3.36Å; M202-Q205 PolarHBondContact O-N 3.38Å; M202-A206 PolarHBondContact O-N 3.17Å
203I45.9Very low44.8Very low90 Ų9091.3 Ų91.346%0.46256%0.556SS.*Hα-helixtrans-63-40.1176.7-70.5171.1000111.1H199 N200 Q205 A206 A207H199-I203 PolarHBondContact O-N 3.33Å; N200-I203 PolarHBondContact O-N 3.28Å; I203-Q205 PolarHBondContact O-N 3.48Å; I203-A206 PolarHBondContact O-N 3.41Å; I203-A207 PolarHBondContact O-N 3.18Å; I203-A207 VanDerWaalsContact O-N 3.13Å
204S44.4Very low45.1Very low72 Ų7296.3 Ų96.350%0.50357%0.569SS.*Hα-helixtrans-67.7-30.5178.6-62.30000113.9N200 M202 A208N200-S204 PolarHBondContact O-N 2.84Å; N200-S204 VanDerWaalsContact O-N 3.09Å; N200-S204 PolarHBondContact O-OG 3.14Å; M202-S204 VanDerWaalsContact C-N 3.34Å; M202-S204 PolarHBondContact O-N 3.36Å; S204-A208 PolarHBondContact O-N 3.06Å; S204-A208 VanDerWaalsContact O-N 3.15Å
205Q47.7Very low45.3Very low133 Ų133101.9 Ų101.962%0.62159%0.585SS**Hα-helixtrans-71.2-35.7173.4-74-173.75.600112.1H201 M202 I203 A208 A209H201-Q205 PolarHBondContact O-N 3.17Å; M202-Q205 PolarHBondContact O-N 3.38Å; I203-Q205 PolarHBondContact O-N 3.48Å; Q205-A208 PolarHBondContact O-N 3.24Å; Q205-A209 PolarHBondContact O-N 3.33Å; Q205-A209 VanDerWaalsContact O-N 3.13Å
206A47.6Very low45.4Very low62 Ų62106.8 Ų106.851%0.51260%0.596SS.*Hα-helixtrans-64.4-39.9174.100000112.2M202 I203 V210M202-A206 PolarHBondContact O-N 3.17Å; I203-A206 PolarHBondContact O-N 3.41Å; A206-V210 PolarHBondContact O-N 3.25Å
207A45.4Very low45.1Very low67 Ų67109.9 Ų109.955%0.55461%0.608SS**Hα-helixtrans-66.9-40.8176.500000113I203 V210 A211I203-A207 PolarHBondContact O-N 3.18Å; I203-A207 VanDerWaalsContact O-N 3.13Å; A207-V210 PolarHBondContact O-N 2.99Å; A207-A211 PolarHBondContact O-N 3.18Å
208A47.1Very low44.7Very low63 Ų63115.5 Ų115.552%0.52162%0.623SS.*Hα-helixtrans-67.5-35178.500000113.1S204 Q205 V210 A211 A212S204-A208 PolarHBondContact O-N 3.06Å; S204-A208 VanDerWaalsContact O-N 3.15Å; Q205-A208 PolarHBondContact O-N 3.24Å; A208-V210 PolarHBondContact O-N 2.98Å; A208-A211 PolarHBondContact O-N 3.49Å; A208-A212 PolarHBondContact O-N 3.27Å
209A46.9Very low44.8Very low59 Ų59113.9 Ų113.949%0.48863%0.629SS.*Hα-helixtrans-65.2-36.3177.500000113Q205Q205-A209 PolarHBondContact O-N 3.33Å; Q205-A209 VanDerWaalsContact O-N 3.13Å
210V52Low44.7Very low91 Ų91117.5 Ų117.555%0.55265%0.646SS**Hα-helixtrans-72.3-36.5177.5177.60000111.5A206 A207 A208 A212 Q213A206-V210 PolarHBondContact O-N 3.25Å; A207-V210 PolarHBondContact O-N 2.99Å; A208-V210 PolarHBondContact O-N 2.98Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.13Å; V210-Q213 PolarHBondContact O-N 2.87Å
211A47Very low44.4Very low70 Ų70121 Ų12158%0.57966%0.659SS**Hα-helixtrans-65-36.4175.400000112.7A207 A208 Q213A207-A211 PolarHBondContact O-N 3.18Å; A208-A211 PolarHBondContact O-N 3.49Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.32Å
212A46.1Very low44.1Very low68 Ų68123.2 Ų123.256%0.56267%0.669SS**Hα-helixtrans-69.8-23.6178.900000114.1A208 V210A208-A212 PolarHBondContact O-N 3.27Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 3.13Å
213Q46.2Very low43.8Very low158 Ų158125.9 Ų125.974%0.73868%0.68SS**Hα-helixtrans-80-17.1-179.4-83.4-172.1-28.200114.7V210 A211V210-Q213 PolarHBondContact O-N 2.87Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.32Å
214Q47.9Very low43.8Very low165 Ų165126.7 Ų126.777%0.77169%0.691SS**G310 helixtrans-83.2-15.5-175.6-71.4-164.8500115.6
215Q47.9Very low43.4Very low179 Ų179131.6 Ų131.684%0.83671%0.706SS**G310 helixtrans-88.3-0.9-178-78.4-161.7-42.100115.9
216H42.9Very low42.9Very low168 Ų168133.1 Ų133.178%0.77871%0.713SS**G310 helixtrans-102.512.3-172.3-86.389.9000116.2
217Q39.2Very low42.5Very low176 Ų176138.5 Ų138.582%0.82273%0.727SS**  trans-119.674.5176.7-70.5-162.938.500113.9
218H37.1Very low42.4Very low177 Ų177144.7 Ų144.782%0.81975%0.745SS**  trans-128.5106.2154.1-77.6-70.6000109.4H220H218-H220 PolarHBondContact O-N 3.22Å
219P42Very low42.1Very low122 Ų122150.5 Ų150.579%0.79276%0.761SS**  trans-74110.7178.429-32.4000110.1Q221P219-Q221 PolarHBondContact O-N 3.31Å
220H37.5Very low41.7Very low189 Ų189157 Ų15788%0.87578%0.781SS**  trans-77.9103.7171.1-128.168.4000109.2H218H218-H220 PolarHBondContact O-N 3.22Å
221Q37.1Very low41.2Very low173 Ų173162.1 Ų162.181%0.80880%0.8SS**  trans-67.5145.2173-87.1-175.6-2.600111.2P219P219-Q221 PolarHBondContact O-N 3.31Å
222Q37.7Very low40.8Very low179 Ų179168.3 Ų168.384%0.83682%0.816SS**  trans-76.6134.6-177.6-61.7168.5-14.300111.2
223H34.9Very low40.5Very low183 Ų183169.5 Ų169.585%0.84783%0.826SS**  trans-138.899.7155.4-89.5-86.1000109.1
224P44.8Very low40.2Very low106 Ų106171 Ų17169%0.68883%0.833SS**  trans-81168.3163.834.1-32.3000110.7
225Q36.8Very low39.6Very low176 Ų176170.3 Ų170.382%0.82284%0.835SS**  trans79.993.1156.5-144.7170.716.400117
226Q36.8Very low39.1Very low165 Ų165170.7 Ų170.777%0.77184%0.837SS**  179.8160101.7-93.4-169.328.200114.7
227Q40Very low38.6Very low174 Ų174166 Ų16681%0.81383%0.834SS**  trans68.766.8158.4-72.8179.40.100120.4Q229Q227-Q229 PolarHBondContact O-N 2.9Å
228Q42.2Very low38.7Very low198 Ų198166.7 Ų166.793%0.92584%0.837SS**  trans-54.996.3135.9-174.2-179.248.500111.8
229Q40.6Very low39.4Very low185 Ų185163 Ų16386%0.86483%0.828SS**  trans-168.297157.4-118.1-177.825.200113.6Q227Q227-Q229 PolarHBondContact O-N 2.9Å
230Q39.1Very low39.4Very low194 Ų194165.1 Ų165.191%0.90783%0.827SS**  trans17086.8140.1-97.9-179.812.400109.9
231Q41.6Very low39.5Very low200 Ų200165.8 Ų165.894%0.93583%0.83SS**  trans-152.363.7169.2-118.8165.235.300111
232Q39.3Very low39.6Very low199 Ų199165 Ų16593%0.9383%0.831SS**  trans-157.181.4167-122176.3200111.5
233A38.8Very low39.8Very low93 Ų93165 Ų16577%0.76983%0.833SS**  trans-152.490.3166.500000111.1
234Q40.4Very low40Very low190 Ų190160 Ų16089%0.88883%0.831SS**  trans47.585.6147.1-69171.7-51.900119.9Q236Q234-Q236 PolarHBondContact O-N 3.02Å
235N34.3Very low39.7Very low151 Ų151159 Ų15981%0.80784%0.839SS**  -14.9111.4125-179.433.8000116.4
236Q38.5Very low40Very low187 Ų187154.4 Ų154.487%0.87484%0.839SS**  trans-179.3134.4131.9-104.517581.100112.1Q234Q234-Q236 PolarHBondContact O-N 3.02Å
237G32.6Very low40.2Very low69 Ų69155 Ų15571%0.71185%0.848SS**  trans102.9100.7158.600000117.9
238H41.4Very low40.3Very low191 Ų191150.4 Ų150.488%0.88485%0.847SS**  trans-115.7157.5142-69.33.2000105.4
239P51.5Low40.5Very low98 Ų98150 Ų15064%0.63685%0.85SS**  cis-151.9-171.73544.6-23.4000117.6
240H41.2Very low40.6Very low167 Ų167144.9 Ų144.977%0.77385%0.847SS**  trans46.5111.8155.2-56.4-55.8000121.5
241H40.5Very low41Very low203 Ų203143.8 Ų143.894%0.9485%0.847SS**  trans-136.3126.3136.8-69.2-62.1000111.3
242L39.1Very low41Very low157 Ų157137.5 Ų137.582%0.82284%0.837SS**  trans-123.1133.7178.7165.564.9000108
243M42.2Very low41.2Very low180 Ų180136.2 Ų136.289%0.88784%0.836SS**  trans71.5141.4159.4-165.9177.7-62.400119.1
244G38Very low41.1Very low78 Ų78135.6 Ų135.680%0.80484%0.838SS**  trans105.6131.2173.800000112.8
245G38.8Very low41.3Very low84 Ų84135.4 Ų135.487%0.86684%0.843SS**  cis169134.3-4.700000109.1
246G43.9Very low41.5Very low79 Ų79131.8 Ų131.881%0.81484%0.841SS**  trans-161.5105.4-175.100000112.1
247N41.1Very low41.7Very low178 Ų178130.3 Ų130.395%0.95284%0.838SS**  trans-72.4144.7-177.2-68.4-29.7000112.1
248G41.4Very low41.8Very low78 Ų78134.5 Ų134.580%0.80484%0.839SS**  trans-16452.5179.500000113.6G250G248-G250 PolarHBondContact O-N 2.93Å
249L46.8Very low41.6Very low189 Ų189133.6 Ų133.699%0.9983%0.834SS**  trans-72.1108170.8-74.7166.6000109.5
250G42.2Very low41.6Very low77 Ų77134.9 Ų134.979%0.79484%0.843SS**  trans-150.790179.700000111.7G248G248-G250 PolarHBondContact O-N 2.93Å
251N46.8Very low41Very low171 Ų171130.3 Ų130.391%0.91484%0.84SS**  trans-95124.4174-173.4-2.2000108.8
252G41.8Very low40.9Very low69 Ų69128.2 Ų128.271%0.71183%0.831SS**  trans172.6121.7179.700000114.8
253N44.8Very low40.7Very low172 Ų172128.9 Ų128.992%0.9283%0.83SS**  trans-73.1144.1175.5-60.8-74.6000111.8
254G35.8Very low40.8Very low79 Ų79129.7 Ų129.781%0.81483%0.832SS**  trans-175.397.7176.500000116.1
255L45.5Very low41Very low187 Ų187135 Ų13598%0.97984%0.836SS**  trans-22.1136.2166.5-59.9162.3000118.2
256G38.7Very low40.8Very low75 Ų75139.5 Ų139.577%0.77383%0.834SS**  trans-154.880.6176.800000117
257I41.7Very low40.7Very low156 Ų156144.4 Ų144.480%0.884%0.836SS**  trans37.399140.2-47.6180000120.7
258Q34.4Very low40.6Very low157 Ų157144.8 Ų144.873%0.73483%0.832SS**  43116123.5-68.8171.9-26.300124.4
259H37.8Very low40.4Very low172 Ų172149.2 Ų149.280%0.79683%0.831SS**  trans67.1168.6133.2-65.6-55.1000121.5
260P51.2Low40Very low125 Ų125148.1 Ų148.181%0.81282%0.821SS**  cis-136.6173.3-19.428.1-6.2000116.6
261G28.3Very low39.8Very low70 Ų70152.2 Ų152.272%0.72282%0.82SS**  trans102.8166.3132.800000121.1
262Q38.1Very low39.1Very low160 Ų160151.6 Ų151.675%0.74881%0.811SS**  trans72.997.9-177.6-47.7-61.88.400115.8
263Q36.6Very low38.8Very low170 Ų170156.6 Ų156.679%0.79482%0.816SS**  67.410976-70-169.14.900115.2
264Q43.8Very low38.2Very low197 Ų197156.2 Ų156.292%0.92181%0.809SS**  -17094.1124-105.1170.410.800112.2
265Q41Very low38.3Very low190 Ų190161.6 Ų161.689%0.88881%0.812SS**  trans-88.9126.3146.1-82-179.5-27.200107.3
266Q35.7Very low38.3Very low178 Ų178159 Ų15983%0.83281%0.807SS**  trans152.3110.9143.6-87.6176.518.400110.4
267Q40.6Very low38.3Very low183 Ų183158.7 Ų158.786%0.85580%0.804SS**  -175.9108.8109.2-97.317023.700111
268Q39.6Very low38Very low186 Ų186159.3 Ų159.387%0.86980%0.803SS**  trans-84.1167.3146.2-70.3178.9-5.900108.3
269Q38Very low38.2Very low170 Ų170163.2 Ų163.279%0.79481%0.813SS**  trans83.3131.8-174.7-55.1-172.933.400113.4
270Q38.8Very low38.3Very low167 Ų167159.9 Ų159.978%0.7880%0.801SS**  cis-131.5135.70-86.3136.242.100108.7
271Q37.4Very low37.7Very low162 Ų162158.6 Ų158.676%0.75780%0.801SS**  68.6121.880.9-99.5-161.365.300118
272Q32.5Very low38.2Very low158 Ų158159.4 Ų159.474%0.73879%0.789SS**  trans69102.1154-58-172.240.900121.3
273Q34.3Very low38.5Very low175 Ų175160.5 Ų160.582%0.81880%0.799SS**  -159.3115.9124.8-114.115693.600114.2
274Q33.6Very low39.1Very low163 Ų163160.5 Ų160.576%0.76280%0.803SS**  trans45.6102.2145.3-55.4-178.724.300121.4
275H36.4Very low38.7Very low192 Ų192156.3 Ų156.389%0.88979%0.787SS**  trans-139.6106.1142.5-72-59.1000111
276P45.6Very low38.5Very low132 Ų132156.2 Ų156.286%0.85779%0.786SS**  trans-86.9112.9162.832.1-27.3000109.4
277G39Very low38.5Very low69 Ų69152.3 Ų152.371%0.71178%0.784SS**  trans-145.496.3-177.700000111.3
278Q36.1Very low38.5Very low170 Ų170148 Ų14879%0.79478%0.78SS**  trans-61.9132.8-169.2-64175.7-7.700114.1N280Q278-N280 PolarHBondContact O-N 3.37Å; Q278-N280 VanDerWaalsContact O-N 3.09Å
279Y38.7Very low38.6Very low238 Ų238143.7 Ų143.793%0.93378%0.776SS**  trans-68.895.2151.5-67.6-86.4000108.6A281Y279-A281 PolarHBondContact O-N 2.73Å
280N38.8Very low38.8Very low103 Ų103144.3 Ų144.355%0.55178%0.784SS**  trans-96.597.4-176.9-163.49.5000112.2Q278 N282Q278-N280 PolarHBondContact O-N 3.37Å; Q278-N280 VanDerWaalsContact O-N 3.09Å; N280-N282 PolarHBondContact O-N 3.33Å; N280-N282 PolarHBondContact OD1-ND2 3.4Å
281A39Very low39Very low97 Ų97139 Ų13980%0.80277%0.774SS**  trans-74.185.5169.400000110.4Y279Y279-A281 PolarHBondContact O-N 2.73Å
282N37.8Very low39Very low87 Ų87140.7 Ų140.747%0.46578%0.782SS.*  trans-140.927.3-178.6-101.8-57.3000115.6N280 L284N280-N282 PolarHBondContact O-N 3.33Å; N280-N282 PolarHBondContact OD1-ND2 3.4Å; N282-L284 VanDerWaalsContact C-N 3.28Å
283L45.3Very low39.4Very low184 Ų184142.2 Ų142.296%0.96379%0.791SS**THydrogen-bonded Turntrans-82.3-1.6166.3-10870.6000114.1
284L49.2Very low39.4Very low170 Ų170139.5 Ų139.589%0.8979%0.791SS**THydrogen-bonded Turntrans-109.76.1-176.7-155.963.7000114N282N282-L284 VanDerWaalsContact C-N 3.28Å
285N36.4Very low39.3Very low108 Ų108135.5 Ų135.558%0.57878%0.782SS**SBendtrans-124.446.2-176-157.5-1.7000113.5
286H35.6Very low39.3Very low189 Ų189136.3 Ų136.388%0.87578%0.778SS**SBendtrans-133.910.3167.2-10352.7000113.4
287A36.1Very low38.8Very low95 Ų95134.7 Ų134.779%0.78578%0.776SS**SBendtrans-92.9-1.2177.100000114
288A41.3Very low38.9Very low93 Ų93140.9 Ų140.977%0.76979%0.787SS**SBendtrans-122.651.4-171.600000113
289A40.5Very low38.8Very low96 Ų96138.8 Ų138.879%0.79379%0.791SS**  trans-138.825.6170.900000113.2G291A289-G291 PolarHBondContact O-N 2.98Å
290L42.6Very low38.5Very low182 Ų182131 Ų13195%0.95378%0.783SS**  trans-82.188.5166-94.9165.3000109.2
291G43.3Very low38.2Very low56 Ų56130 Ų13058%0.57780%0.797SS**  trans161.572.1173.600000116.3A289A289-G291 PolarHBondContact O-N 2.98Å
292H37.8Very low38.3Very low197 Ų197131.3 Ų131.391%0.91280%0.801SS**  trans-152.9101.7144.6-92-62.8000109.8
293M41Very low38.4Very low190 Ų190135.4 Ų135.494%0.93682%0.819SS**  trans-70.2135.1157.9-54.4177.7-150.400107.6
294S34.5Very low37.9Very low118 Ų118137 Ų13783%0.82581%0.813SS**  trans-154.9121.2153.2-153.30000113.3
295S29.9Very low37.3Very low80 Ų80134 Ų13456%0.55980%0.798SS**  trans31.5121.1153.6-143.60000120.7
296Y36.8Very low37.5Very low208 Ų208136.7 Ų136.782%0.81681%0.807SS**  trans-38.7136.513745-88.2000111.5
297A34.5Very low37.8Very low98 Ų98136 Ų13681%0.8180%0.804SS**  trans-134.1108.4170.800000109.4S299A297-S299 PolarHBondContact O-N 3.05Å
298Q42.5Very low37.7Very low200 Ų200135.3 Ų135.394%0.93581%0.806SS**  trans-73.1119.7168.9-73.5171.4-97.700109.8
299S33Very low37.4Very low125 Ų125134.7 Ų134.787%0.87481%0.809SS**  trans-170.7132.8159.4-172.50000106.4A297A297-S299 PolarHBondContact O-N 3.05Å
300G32.8Very low37.3Very low76 Ų76134.9 Ų134.978%0.78481%0.81SS**  cis155.6129.43.600000107
301G32.3Very low37.2Very low82 Ų82135.3 Ų135.385%0.84581%0.81SS**  trans145.975.6178.200000116.5
302S40.4Very low37.1Very low124 Ų124141.4 Ų141.487%0.86782%0.823SS**  trans-75.4116.4151.1-65.40000108.5
303M39.7Very low37.5Very low173 Ų173137.6 Ų137.685%0.85282%0.816SS**  trans-163.185.7155.4-81.6-140.8-60.200110.4
304Y36.2Very low37.1Very low216 Ų216132 Ų13285%0.84781%0.806SS**  trans-144.976145.9-101-73.3000108
305D36.9Very low37.4Very low107 Ų107135.3 Ų135.357%0.57281%0.811SS**  trans-72.3135.7163.2171.839.2000109.4H307D305-H307 VanDerWaalsContact CG-CD2 3.49Å; D305-H307 IonicContact OD1-CD2 3.74Å; D305-H307 PolarHBondContact OD1-CD2 3.22Å; D305-H307 IonicContact OD1-CG 3.18Å; D305-H307 PolarHBondContact OD1-N 3.32Å; D305-H307 IonicContact OD1-ND1 3.96Å; D305-H307 IonicContact OD1-NE2 3.93Å; D305-H307 IonicContact OD2-CD2 2.73Å; D305-H307 PolarHBondContact OD2-CD2 3.13Å; D305-H307 IonicContact OD2-CG 3.17Å
306H40.5Very low37.9Very low166 Ų166139.7 Ų139.777%0.76983%0.828SS**  trans-137.969164.5-87.9-66.8000108.6G308H306-G308 PolarHBondContact O-N 2.81Å
307H41.3Very low37.8Very low175 Ų175133.2 Ų133.281%0.8183%0.825SS**  trans-56.7126.8163.2-79.7-53.7000111.2D305D305-H307 VanDerWaalsContact CG-CD2 3.49Å; D305-H307 IonicContact OD1-CD2 3.74Å; D305-H307 PolarHBondContact OD1-CD2 3.22Å; D305-H307 IonicContact OD1-CG 3.18Å; D305-H307 PolarHBondContact OD1-N 3.32Å; D305-H307 IonicContact OD1-ND1 3.96Å; D305-H307 IonicContact OD1-NE2 3.93Å; D305-H307 IonicContact OD2-CD2 2.73Å; D305-H307 PolarHBondContact OD2-CD2 3.13Å; D305-H307 IonicContact OD2-CG 3.17Å
308G33.9Very low37.9Very low80 Ų80131.9 Ų131.983%0.82582%0.82SS**  trans-172.479.1179.100000114.8H306H306-G308 PolarHBondContact O-N 2.81Å
309G34.2Very low37.9Very low80 Ų80131.1 Ų131.183%0.82582%0.819SS**  trans99.299.2160.600000116.3
310A39.8Very low38.5Very low99 Ų99131.1 Ų131.182%0.81882%0.816SS**  trans-78.1143.7160.200000110.4
311M39.9Very low39Very low192 Ų192137.1 Ų137.195%0.94682%0.82SS**  trans-175.9109.7135.6-79.9-133.9-122.900110.5
312H42.1Very low39.2Very low184 Ų184141.8 Ų141.885%0.85282%0.82SS**  trans-83.2174.9154.3-119.2-154.3000108.2
313P44.9Very low39.4Very low117 Ų117144.7 Ų144.776%0.7682%0.82SS**  cis-135.3171.9-7.538.1-20.8000114.7
314G32.1Very low39.8Very low71 Ų71142.5 Ų142.573%0.73282%0.819SS**  trans149.8155.2150.500000119.7
315M41.1Very low40.2Very low188 Ų188140.4 Ų140.493%0.92682%0.821SS**  trans74.583.6153.3-55.8-179.578.900119.6
316N41.4Very low40.2Very low173 Ų173138.8 Ų138.893%0.92583%0.83SS**  trans-4.7135.8132-165-5.7000118.2
317G34.7Very low40.5Very low72 Ų72136.9 Ų136.974%0.74283%0.832SS**  trans137.2126.6173.900000109.4
318G35.5Very low40.6Very low70 Ų70134.7 Ų134.772%0.72283%0.834SS**  cis152.4144.21900000105.5
319M42.3Very low40.5Very low184 Ų184134.4 Ų134.491%0.90683%0.83SS**  trans-60.5134.2-167.9-52.7167-156.400113.1K321M319-K321 PolarHBondContact O-N 3.13Å; M319-K321 VanDerWaalsContact O-N 3.16Å
320P47.1Very low40.8Very low124 Ų124135.7 Ų135.781%0.80583%0.833SS**  trans-81.590.3163.832.1-31.3000110
321K42.4Very low40.4Very low203 Ų203135 Ų13588%0.88384%0.836SS**  trans-9499165.3-152.8179.2-169.7-178.90108.3M319M319-K321 PolarHBondContact O-N 3.13Å; M319-K321 VanDerWaalsContact O-N 3.16Å
322Q36.7Very low40Very low180 Ų180129.4 Ų129.484%0.84183%0.827SS**  trans-112.1107.9175.8-74.3-172.8-4.200111.4
323Q44.5Very low40.1Very low185 Ų185126.4 Ų126.486%0.86482%0.824SS**  trans-140.1131.8148.5-73.3-173.6-24.100105.3
324P48Very low39.8Very low127 Ų127128 Ų12883%0.82582%0.822SS**  -142.7131.194.131-13.3000114.2
325L45Very low40.2Very low172 Ų172130.5 Ų130.590%0.90182%0.818SS**  trans-93.9138.7154.3-94.172.4000108.5
326G36.1Very low40Very low73 Ų73132.6 Ų132.675%0.75382%0.817SS**  trans-83.4164.9-174.300000115.1
327P47.1Very low40Very low126 Ų126131 Ų13182%0.81881%0.813SS**  trans-101.3-168171.744.2-37000110.5
328P43.4Very low40Very low129 Ų129137.5 Ų137.584%0.83882%0.817SS**  cis-127.5169.5-14.138.1-23.2000113.9
329G33.2Very low39.9Very low73 Ų73142 Ų14275%0.75382%0.821SS**  trans175109.3162.500000116.4
330A38.9Very low39.3Very low107 Ų107136.9 Ų136.988%0.88482%0.815SS**  trans47.7121.8165.100000118.6
331G32.6Very low38.7Very low86 Ų86134.6 Ų134.689%0.88781%0.814SS**  cis90.980.410.700000112.8
332G31.7Very low38.2Very low73 Ų73133.7 Ų133.775%0.75381%0.813SS**  trans-170.9143.6171.500000112.3
333P44.2Very low38.2Very low121 Ų121131 Ų13179%0.78681%0.81SS**  trans-121.4154.1-147.911.114.3000117
334Q38.7Very low37.6Very low152 Ų152128.8 Ų128.871%0.7181%0.808SS**  trans58.6132.4141.7-53.7-55.949.100123.2
335D38.8Very low37.2Very low122 Ų122128.9 Ų128.965%0.65281%0.806SS**  trans47.1109130.5-53.7-35.3000120.6
336Y38.2Very low37.4Very low232 Ų232125.8 Ų125.891%0.9180%0.797SS**  trans-129.787.8139.7-83.9-82.1000110.8
337V41.8Very low37.2Very low139 Ų139131.1 Ų131.184%0.84280%0.804SS**  trans-89.3110.4154.6177.30000106.9
338Y32.8Very low36.3Very low210 Ų210128.3 Ų128.382%0.82480%0.799SS**  trans-130.1145.2164.6-169.6-103000111.1
339M34Very low35.8Very low164 Ų164127.5 Ų127.581%0.80880%0.802SS**  trans-75.8155-164.9-64.2164.2168.500113.7
340G31Very low35.7Very low76 Ų76128.2 Ų128.278%0.78480%0.801SS**  trans125.6123134.700000117.7
341G33Very low35.6Very low76 Ų76131.6 Ų131.678%0.78480%0.801SS**  trans68.797.6131.900000120
342Q32.2Very low35.8Very low184 Ų184136.4 Ų136.486%0.8680%0.802SS**  37.1115.9129.3-106.7177.2-31.900120.7
343T37.4Very low36.5Very low125 Ų125137.9 Ų137.977%0.76780%0.799SS**  trans59.7129.9143.8240000120.8
344T31.3Very low36.7Very low137 Ų137138.3 Ų138.384%0.8480%0.802SS**  163.3161.7129.8-700000112.5
345V39.2Very low37.1Very low129 Ų129138.9 Ų138.978%0.78280%0.804SS**  trans-137.4166-177.1-96.10000109.7
346P49.3Very low37.3Very low108 Ų108140 Ų14070%0.70181%0.811SS**  cis-136.3-13418.137.5-13000113.3
347M31.7Very low37.7Very low184 Ų184138.1 Ų138.191%0.90681%0.81SS**  trans74.1141.9171.9-98.273.7172.500118.4
348G28.6Very low37.7Very low68 Ų68142.4 Ų142.470%0.70181%0.813SS**  cis158.1130.2-11.700000114.6
349A32.3Very low38.2Very low111 Ų111140.7 Ų140.792%0.91781%0.814SS**  trans61.8156.6172.500000116.7
350A32.3Very low38.4Very low88 Ų88138.9 Ų138.973%0.72781%0.808SS**  cis-142.7178.81.200000108.1
351M35.9Very low38.8Very low179 Ų179140.4 Ų140.488%0.88281%0.806SS**  cis-153150.818.7-55170171.900109.2
352M37.2Very low39.3Very low186 Ų186141.4 Ų141.492%0.91680%0.802SS**  trans-176.9133.3138.8-85.8-134172.800109.4
353P46.4Very low39.9Very low104 Ų104135.8 Ų135.868%0.67579%0.787SS**  trans-82.7145.2-178.832.7-34.2000112.6Q355P353-Q355 PolarHBondContact O-N 3.16Å
354P49.3Very low40.2Very low131 Ų131135.4 Ų135.485%0.85178%0.784SS**  trans-83114.3172.732.1-30.8000110.5
355Q47.3Very low40.5Very low163 Ų163133 Ų13376%0.76278%0.778SS**  trans-125133.9172.3-118.1157.7-26.100111P353P353-Q355 PolarHBondContact O-N 3.16Å
356N41.5Very low40.5Very low147 Ų147130.9 Ų130.979%0.78677%0.774SS**  trans75.166.9171.7-53-21000118.1
357Q46.4Very low39.9Very low192 Ų192130 Ų13090%0.89778%0.776SS**  trans-92.66159.8-76.1-161-1.400114.8
358Y42.2Very low40.4Very low229 Ų229128.1 Ų128.190%0.89877%0.769SS**SBendtrans-109.616.6-168.3-117.2-85.2000116.6
359M44.6Very low40.9Very low174 Ų174136.1 Ų136.186%0.85778%0.778SS**SBendtrans-130.419.6-176.6-85.3-179.4173.100115.6
360N38.1Very low41.3Very low126 Ų126138.7 Ų138.767%0.67478%0.777SS**SBendtrans-133.446.2174.9-154.4-9000114
361S39Very low41.7Very low107 Ų107139.3 Ų139.375%0.74878%0.782SS**SBendtrans-119.6-5.9172.1-51.50000113.4
362S44.2Very low41.8Very low98 Ų98139.1 Ų139.169%0.68581%0.809SS**SBendtrans-98.4-19.7-179.246.60000114.3
363A43.4Very low42.1Very low66 Ų66136.8 Ų136.855%0.54580%0.804SS.*SBendtrans-77.2-28.8-178.300000113.8
364V43.3Very low41.8Very low116 Ų116138.5 Ų138.570%0.70381%0.81SS**THydrogen-bonded Turntrans-80.8-17.5-174-176.70000112.8
365A37.8Very low41.4Very low87 Ų87138.9 Ų138.972%0.71981%0.808SS**THydrogen-bonded Turntrans-83.7-11.5-178.800000114.8
366A39.3Very low41.1Very low84 Ų84137.5 Ų137.569%0.69481%0.811SS**SBendtrans-93.7-19.1-175.800000114.3N368A366-N368 VanDerWaalsContact C-N 3.35Å; A366-N368 PolarHBondContact O-N 3.08Å
367A37.5Very low41Very low91 Ų91136.9 Ų136.975%0.75281%0.812SS**SBendtrans-81.6-9.3-175.800000114.3
368N42.2Very low40.7Very low143 Ų143133.3 Ų133.377%0.76581%0.807SS**SBendtrans-115.755.3-170.9-157.41.1000112.9A366A366-N368 VanDerWaalsContact C-N 3.35Å; A366-N368 PolarHBondContact O-N 3.08Å
369R39.1Very low40.6Very low236 Ų236126.4 Ų126.489%0.89180%0.8SS**SBendtrans-148.527.2171.8-148.3-165.6-72.3178.7-3.4114.2
370N39.8Very low40.3Very low166 Ų166122.8 Ų122.889%0.88880%0.796SS**SBendtrans-132.937.4180-143.125.5000112.7
371A41.4Very low40.5Very low100 Ų100122.5 Ų122.583%0.82681%0.806SS**  trans-141.873.6173.300000108.9
372A38.4Very low40.6Very low176 Ų176123.9 Ų123.9100%1.45581%0.811SS**  trans-1460170.800000108.1

Retrieved 372 of 372 residues in 283.2 ms (Link to these results)