A0A5K4EIE5_SCHMA Loading...

Putative cement protein 3B variant 2

AlphaFold DB , UniProt , Accession A0A5K4EIE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 748 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
1M56.8Low59.2Low191 Ų191133 Ų13394%0.94165%0.651SS**  0-73.70-69.6178.8175.200112.7R3 Q4 I5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.88Å; M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 3.05Å; M1-I5 PolarHBondContact O-N 3Å
2S54Low59.2Low95 Ų95131.9 Ų131.966%0.66464%0.643SS**Hα-helixtrans-51-37-166.5-39.90000116.7Q4 I5 S6S2-Q4 PolarHBondContact O-N 3.17Å; S2-I5 PolarHBondContact O-N 2.83Å; S2-S6 PolarHBondContact O-N 3.15Å
3R58Low58.7Low232 Ų232130.2 Ų130.288%0.87564%0.639SS**Hα-helixtrans-61.9-39.1175.7-68.3-172.1-176.8-1243.6113.4M1 I5 S6 Q7M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.88Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.15Å; R3-S6 PolarHBondContact O-N 3.12Å; R3-Q7 PolarHBondContact O-N 3.21Å
4Q62.8Low58.6Low136 Ų136128.7 Ų128.764%0.63663%0.634SS**Hα-helixtrans-68.4-31.1176.7-71.2166.4-50.600112.2M1 S2 Q7 K8M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 3.05Å; S2-Q4 PolarHBondContact O-N 3.17Å; Q4-Q7 PolarHBondContact O-N 3.13Å; Q4-K8 PolarHBondContact O-N 2.97Å
5I63.8Low58.5Low94 Ų94134.4 Ų134.448%0.48265%0.646SS.*Hα-helixtrans-68.7-42.7178.2-59.5175.6000110.4M1 S2 R3 Q7 K8 R9M1-I5 PolarHBondContact O-N 3Å; S2-I5 PolarHBondContact O-N 2.83Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.15Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.87Å; I5-K8 PolarHBondContact O-N 3.04Å; I5-R9 WeakPolarHBondContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 2.93Å
6S60.5Low58.3Low85 Ų85136.8 Ų136.859%0.59465%0.646SS**Hα-helixtrans-60.3-40172.9-62.50000112.4S2 R3 R9 S10S2-S6 PolarHBondContact O-N 3.15Å; R3-S6 PolarHBondContact O-N 3.12Å; S6-R9 PolarHBondContact O-N 2.77Å; S6-S10 PolarHBondContact O-N 2.83Å
7Q60.4Low58.1Low133 Ų133138.1 Ų138.162%0.62165%0.652SS**Hα-helixtrans-73.6-33.4-177.6-154.5167.99.200113R3 Q4 I5 S10R3-Q7 PolarHBondContact O-N 3.21Å; Q4-Q7 PolarHBondContact O-N 3.13Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.87Å; Q7-S10 PolarHBondContact O-OG 3.04Å
8K60.8Low58Low171 Ų171139.1 Ų139.174%0.74366%0.656SS**Hα-helixtrans-65.6-39.2166.4-80.3-164.5172.2-169.50111.8Q4 I5 Q12Q4-K8 PolarHBondContact O-N 2.97Å; I5-K8 PolarHBondContact O-N 3.04Å; K8-Q12 PolarHBondContact O-N 2.61Å
9R57.4Low57.7Low155 Ų155136.8 Ų136.859%0.58566%0.656SS**Hα-helixtrans-69.5-33.5179.9-77.6-177.7169.9-171.8-5.1113.9I5 S6 N13I5-R9 WeakPolarHBondContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 2.93Å; S6-R9 PolarHBondContact O-N 2.77Å; R9-N13 PolarHBondContact O-N 2.79Å
10S59.1Low57.1Low61 Ų61138.1 Ų138.143%0.42766%0.663SS.*Hα-helixtrans-63.7-46.117455.90000111.8S6 Q7 Q12 N13 L14S6-S10 PolarHBondContact O-N 2.83Å; Q7-S10 PolarHBondContact O-OG 3.04Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 2.85Å; S10-N13 PolarHBondContact O-N 2.97Å; S10-L14 PolarHBondContact O-N 3.05Å
11N57.7Low56.5Low110 Ų110140.5 Ų140.559%0.58867%0.671SS**Hα-helixtrans-67-34.6-177.4-66.37.6000112L14 R15N11-L14 PolarHBondContact O-N 3.23Å; N11-R15 PolarHBondContact O-N 3.02Å
12Q59.4Low55.9Low120 Ų120138.3 Ų138.356%0.56167%0.668SS**Hα-helixtrans-70-30.6176.4-156.5178.925.100112.8K8 S10 R16K8-Q12 PolarHBondContact O-N 2.61Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 2.85Å; Q12-R16 WeakPolarHBondContact O-CG 3.32Å; Q12-R16 PolarHBondContact O-N 3.04Å
13N52.6Low55.7Low110 Ų110140.7 Ų140.759%0.58867%0.674SS**Hα-helixtrans-74.2-40.6171.2-88.9-19.1000112.2R9 S10 R15 R16 Q17R9-N13 PolarHBondContact O-N 2.79Å; S10-N13 PolarHBondContact O-N 2.97Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.2Å; N13-R16 PolarHBondContact O-N 2.98Å; N13-R16 VanDerWaalsContact O-N 3.11Å; N13-Q17 PolarHBondContact O-N 2.89Å; N13-Q17 VanDerWaalsContact O-N 3.11Å
14L57.7Low54.9Low109 Ų109137.1 Ų137.157%0.57167%0.672SS**Hα-helixtrans-59.6-44.4176.9-150.175.2000110.9S10 N11 R16 Q17 H18S10-L14 PolarHBondContact O-N 3.05Å; N11-L14 PolarHBondContact O-N 3.23Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 3.24Å; L14-Q17 PolarHBondContact O-N 2.91Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CD2 3.27Å; L14-H18 PolarHBondContact O-N 2.95Å
15R56Low54Low214 Ų214137.9 Ų137.981%0.80868%0.68SS**Hα-helixtrans-65-24.5176.7-164.1172.7-180-169.2-0.9113.8N11 N13N11-R15 PolarHBondContact O-N 3.02Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.2Å
16R55.9Low53Low172 Ų172140.9 Ų140.965%0.64970%0.697SS**Hα-helixtrans-78.8-31.2172.2-73179.4-173-101.14.2112.9Q12 N13 L14 H18 S19Q12-R16 WeakPolarHBondContact O-CG 3.32Å; Q12-R16 PolarHBondContact O-N 3.04Å; N13-R16 PolarHBondContact O-N 2.98Å; N13-R16 VanDerWaalsContact O-N 3.11Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 3.24Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 3.02Å; R16-S19 PolarHBondContact O-N 3.01Å
17Q55.7Low52Low159 Ų159144 Ų14474%0.74371%0.707SS**Hα-helixtrans-67.5-29.5176.3-70.3-70.4-65.300112.9N13 L14 S19N13-Q17 PolarHBondContact O-N 2.89Å; N13-Q17 VanDerWaalsContact O-N 3.11Å; L14-Q17 PolarHBondContact O-N 2.91Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; Q17-S19 VanDerWaalsContact C-N 3.35Å
18H54.8Low51.2Low157 Ų157141.5 Ų141.573%0.72771%0.708SS**THydrogen-bonded Turntrans-88.56.2175.2-65.5-70.6000114.3L14 R16L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CD2 3.27Å; L14-H18 PolarHBondContact O-N 2.95Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 3.02Å
19S53.4Low50Low95 Ų95144.2 Ų144.266%0.66472%0.716SS**  trans-106.732.5-173.9-168.70000113.4R16 Q17R16-S19 PolarHBondContact O-N 3.01Å; Q17-S19 VanDerWaalsContact C-N 3.35Å
20M44.4Very low49.4Very low162 Ų162143.8 Ų143.880%0.79872%0.723SS**SBendtrans-132.5141.1167.4-61.6-161-51.500109.1
21K46Very low48.3Very low190 Ų190148.6 Ų148.683%0.82674%0.739SS**  trans75.375.3-172.5-51.8179.6178.3-175.80115.9
22T44.6Very low47.5Very low144 Ų144148.6 Ų148.688%0.88375%0.748SS**  trans-151.568.513836.70000106.5
23D48.3Very low46.1Very low146 Ų146148.1 Ų148.178%0.78176%0.757SS**  trans-88.1121.3168.1-53.5-51.2000107.2
24D42.3Very low45.4Very low156 Ų156149.4 Ų149.483%0.83476%0.764SS**  trans12.4109.3163-49.7-26.9000118.5
25L43.2Very low44.4Very low152 Ų152152.4 Ų152.480%0.79677%0.772SS**  trans-145.497.1154-113.6165.3000109N27L25-N27 PolarHBondContact O-N 2.82Å
26D43.1Very low43.2Very low158 Ų158147.6 Ų147.685%0.84577%0.77SS**  trans-6493.7170.3-75.2-51.8000109.5A28D26-A28 PolarHBondContact O-N 3Å
27N40.2Very low42.3Very low151 Ų151145 Ų14581%0.80778%0.779SS**  trans-72.577168.8-85.8-13.6000109.6L25L25-N27 PolarHBondContact O-N 2.82Å
28A43.5Very low41.3Very low79 Ų79144.9 Ų144.965%0.65378%0.783SS**  trans-55.3142.2166.800000110.4D26 I30D26-A28 PolarHBondContact O-N 3Å; A28-I30 PolarHBondContact O-N 3.39Å
29Y35.5Very low40.4Very low228 Ų228142.5 Ų142.589%0.89478%0.784SS**  trans-71.695.3-172.3-158.4-89.1000110.7
30I43.7Very low39.7Very low146 Ų146144 Ų14475%0.74979%0.789SS**  trans-124.1111.1170.4-59.1-175.5000109.5A28A28-I30 PolarHBondContact O-N 3.39Å
31E37.3Very low39.5Very low162 Ų162142.5 Ų142.576%0.75778%0.78SS**  trans-71.2129.9175-178.5172.1-150.400110.6
32S39.3Very low39.2Very low110 Ų110142 Ų14277%0.76977%0.773SS**  trans-151.672.2174.1-64.90000110
33C31.3Very low39.2Very low111 Ų111142.3 Ų142.375%0.7576%0.764SS**  trans-71.2136.6164.8-67.10000109.2
34D37.1Very low38.8Very low137 Ų137142.7 Ų142.773%0.73376%0.761SS**  trans-159.9161.3153.9-135.4-22.8000114
35F36.6Very low38.7Very low172 Ų172141.1 Ų141.175%0.75476%0.757SS**  trans56.988.3170.3-65.3-68.4000119.2
36C32Very low38.6Very low113 Ų113140 Ų14076%0.76476%0.757SS**  148.6103.192.9-91.50000113.6
37S36.2Very low38.5Very low118 Ų118138.3 Ų138.383%0.82576%0.758SS**  trans-159.3102.5150.5-87.20000112.8
38N34.6Very low38.5Very low155 Ų155138.9 Ų138.983%0.82976%0.76SS**  trans45113.7145.8-67.9-22.7000121.3
39S35.5Very low38.6Very low108 Ų108140.2 Ų140.276%0.75576%0.762SS**  101.1152.3120.579.80000119.3
40V40.2Very low39.2Very low126 Ų126135 Ų13576%0.76476%0.757SS**  trans72.4129.1168.7179.70000115.3
41Q39.2Very low39.1Very low130 Ų130135.5 Ų135.561%0.60776%0.761SS**  cis-175.9153.1-11.9173.7168.264.500111.1
42R40.3Very low39.3Very low181 Ų181135.7 Ų135.768%0.68376%0.762SS**  trans71.1124.1164.5-82.3176.4-96.4-122.25117.1
43Q43.9Very low39.4Very low150 Ų150136.7 Ų136.770%0.70176%0.756SS**  70.5143.794.7-65-177.9-46.500114.4
44H40Very low39.9Very low153 Ų153139.4 Ų139.471%0.70876%0.757SS**  cis-166.2-176-10.5-111-46.4000108.4
45T40.3Very low40.1Very low123 Ų123137.3 Ų137.376%0.75575%0.753SS**  trans64.6132.2168.2580000117.5
46T40.5Very low40.1Very low129 Ų129139.7 Ų139.779%0.79176%0.759SS**  cis90.4103.328.668.50000116.9
47S41.2Very low40.7Very low123 Ų123141.1 Ų141.186%0.8676%0.758SS**  trans-171.1166.6145.647.40000111.4
48N39.5Very low40.9Very low162 Ų162141.6 Ų141.687%0.86675%0.751SS**  trans-116.5168.5-168.8-91.8-27.3000113.4
49P46.5Very low41Very low107 Ų107144.3 Ų144.370%0.69575%0.752SS**  trans-106.1170-168.340.9-36.6000115.9
50P48Very low41.3Very low119 Ų119144.2 Ų144.277%0.77375%0.751SS**  trans-90148.1153.336.3-30.4000110.9
51N41.1Very low41.2Very low157 Ų157142.9 Ų142.984%0.8474%0.743SS**  cis83.577.912.2-161.847.7000118
52E41.8Very low41.4Very low166 Ų166144.7 Ų144.778%0.77675%0.749SS**  trans-160.4141.4162.6-93-175.5-147.700106.8
53M41.5Very low41.1Very low130 Ų130145.8 Ų145.864%0.6475%0.753SS**  cis-150.3150.2-11-86.2-171.6-77.700109.5
54Q42.4Very low40.9Very low168 Ų168149.6 Ų149.679%0.78576%0.763SS**  trans47.6152.6137.4-62152.420.700122.3
55S41.3Very low41Very low93 Ų93146.6 Ų146.665%0.6576%0.755SS**  cis-174.1132.3-26.553.50000110.8
56Y35.5Very low40.8Very low223 Ų223148 Ų14888%0.87576%0.758SS**  trans38.6157.3136.8-80-89.3000124.7
57L45.1Very low40.9Very low143 Ų143150 Ų15075%0.74976%0.759SS**  trans70.6147.8175-80.666.5000115.1
58D40.4Very low40.7Very low127 Ų127152.4 Ų152.468%0.67976%0.759SS**  cis-128.3143.8-8.5-87.9-51.6000108.5
59Y37.4Very low40.7Very low213 Ų213151.9 Ų151.984%0.83576%0.755SS**  59.1135.770.9-93.7-74.5000116.8
60S40.7Very low40.4Very low106 Ų106150.5 Ų150.574%0.74175%0.745SS**  trans75.6156.2163.1-75.50000120.2
61T38.6Very low40.1Very low98 Ų98155 Ų15560%0.60175%0.748SS**  cis174.7135.7-33.1-98.70000108.2
62K42.7Very low40Very low168 Ų168152.3 Ų152.373%0.7374%0.742SS**  trans65.5128.9163-73.1158.8-157.7160.80120.8
63R35.2Very low39.8Very low204 Ų204149.5 Ų149.577%0.7774%0.741SS**  trans61120.1131.5-60.3171-178.3-172.1-1.9121
64Y39.5Very low39.9Very low229 Ų229149.2 Ų149.290%0.89875%0.752SS**  -165.4114.8126.2-92.6-75.9000105
65T41.7Very low39.8Very low90 Ų90144.5 Ų144.555%0.55275%0.748SS**  cis80.8108.639.273.60000116.1
66N36.1Very low39.9Very low152 Ų152149.8 Ų149.881%0.81376%0.759SS**  trans67.3152.7163.9-49.6-23.6000115.1
67Q43.3Very low40Very low173 Ų173144 Ų14481%0.80875%0.751SS**  cis-136.3139.618.6-58.4160.339.100108.4
68M36.4Very low39.9Very low173 Ų173144.3 Ų144.385%0.85276%0.759SS**  5099.172.7-104.3-173.9171.500115.1
69N38.7Very low39.7Very low150 Ų150143.4 Ų143.480%0.80276%0.762SS**  -177.4164.5120.3-90.3-38000112.1
70T40.2Very low40.2Very low78 Ų78138.8 Ų138.848%0.47976%0.758SS.*  -163.9165.5-52.4-73.50000107.6
71Y42.9Very low40.2Very low213 Ų213142 Ų14284%0.83576%0.761SS**  trans73.6152.2171.6-44.7-72.2000116.5
72S38.8Very low40.4Very low101 Ų101143.8 Ų143.871%0.70677%0.766SS**  cis-164137-25.5-90.80000105.9
73S37.4Very low40.4Very low108 Ų108143.2 Ų143.276%0.75577%0.77SS**  83120.550.9-166.80000115.8
74S43.3Very low40.6Very low124 Ų124140.8 Ų140.887%0.86777%0.773SS**  trans92.8148.2156.582.40000122.1
75G40.5Very low40.7Very low68 Ų68136 Ų13670%0.70177%0.767SS**  trans113.993.8175.800000113.7
76K43.4Very low40.6Very low204 Ų204139.9 Ų139.989%0.88778%0.784SS**  58.3129.160.6-57.3-178.1178.4178.90112.4
77S38.3Very low40.9Very low102 Ų102139.7 Ų139.771%0.71378%0.783SS**  cis151.9144.3-3.547.90000106.2
78V42.7Very low41Very low150 Ų150136 Ų13691%0.90977%0.773SS**  trans177.7162.1150.2140.60000112.2
79S36.8Very low41.1Very low108 Ų108133 Ų13376%0.75577%0.769SS**  trans-94.9167.2-158.5-61.80000117.7
80P47.4Very low41.3Very low115 Ų115131.8 Ų131.875%0.74777%0.77SS**  trans-97.5167.1-178.338.9-37.2000115.7
81H39.6Very low41.3Very low174 Ų174132.8 Ų132.881%0.80678%0.78SS**  trans-146154.6172-86.619.4000108.3
82L44Very low41.1Very low135 Ų135127.4 Ų127.471%0.70778%0.78SS**  cis-160.6172-9.2-114.5174.3000110.2
83L41.8Very low41.3Very low156 Ų156130.7 Ų130.782%0.81778%0.784SS**  trans58111.5158.1-77.3161000121.5
84N39.4Very low41.2Very low153 Ų153130.9 Ų130.982%0.81879%0.785SS**  trans-79.9-172.2154.7-83.6-38.1000111.7
85V41.2Very low41Very low128 Ų128130.4 Ų130.478%0.77678%0.782SS**  trans97.585.7154.6-1680000116.4
86L40.9Very low41Very low172 Ų172134.8 Ų134.890%0.90179%0.788SS**  -163.7153.4106.6-99.3168.6000111.2
87N41.6Very low40.9Very low148 Ų148131.2 Ų131.279%0.79178%0.783SS**  trans-130.7-179.5-172.1-138.60.8000106.9
88P46.5Very low41Very low95 Ų95130.9 Ų130.962%0.61779%0.787SS**  cis-141.3-169-7.542-22.9000115.5
89S38.3Very low40.9Very low110 Ų110129 Ų12977%0.76978%0.775SS**  trans86.7152.8142.6-740000120.7
90P42.7Very low40.9Very low125 Ų125128.8 Ų128.881%0.81277%0.774SS**  trans-129.2168.4-139.742-27.2000116.3
91S39.2Very low40.9Very low99 Ų99134 Ų13469%0.69278%0.779SS**  trans-137.6133.2152-176.90000109.8
92A39.8Very low40.8Very low101 Ų101131.2 Ų131.284%0.83577%0.774SS**  trans-99.696.7-174.500000111.3
93H42.3Very low40.9Very low169 Ų169129.6 Ų129.678%0.78277%0.774SS**  trans-113.7134.3163.2-70.2-62.6000110.5S95H93-S95 PolarHBondContact O-N 2.81Å; H93-S95 VanDerWaalsContact O-N 3.13Å
94S34.9Very low41.1Very low113 Ų113130.6 Ų130.679%0.7977%0.774SS**  trans-67.9105.3-170.153.40000112.8L96S94-L96 PolarHBondContact O-N 2.96Å
95S39.2Very low41.3Very low113 Ų113131.4 Ų131.479%0.7977%0.773SS**  trans-72.992.1165.3490000109.8H93 V97H93-S95 PolarHBondContact O-N 2.81Å; H93-S95 VanDerWaalsContact O-N 3.13Å; S95-V97 PolarHBondContact O-N 2.86Å
96L41.3Very low41.5Very low161 Ų161130.2 Ų130.284%0.84377%0.768SS**  trans-59.6123.1167.6-80.1171.1000108.8S94 A98S94-L96 PolarHBondContact O-N 2.96Å; L96-A98 PolarHBondContact O-N 3.04Å
97V41.4Very low41.6Very low128 Ų128125.7 Ų125.778%0.77675%0.751SS**  trans-62.7111-179.1176.20000109.1S95 V99S95-V97 PolarHBondContact O-N 2.86Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.38Å; V97-V99 PolarHBondContact O-N 2.83Å
98A41Very low41.9Very low95 Ų95128.1 Ų128.179%0.78576%0.755SS**  trans-70.886177.900000110.5L96 S100L96-A98 PolarHBondContact O-N 3.04Å; A98-S100 PolarHBondContact O-N 2.84Å
99V40.9Very low41.6Very low111 Ų111129.9 Ų129.967%0.67376%0.755SS**  trans-69.185.3168.5-176.40000108.1V97 R101V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.38Å; V97-V99 PolarHBondContact O-N 2.83Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 HydrophobicContact CG1-CG 4.4Å; V99-R101 PolarHBondContact O-N 2.91Å
100S35.8Very low41.7Very low104 Ų104129.9 Ų129.973%0.72776%0.755SS**  trans-65.789179.4-170.30000110.2A98 V102A98-S100 PolarHBondContact O-N 2.84Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.04Å
101R47.1Very low41.5Very low224 Ų224134.1 Ų134.185%0.84576%0.756SS**  trans-72.993.4170.5-70.7-173.7178.8176.40.7107.9V99 S103V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 HydrophobicContact CG1-CG 4.4Å; V99-R101 PolarHBondContact O-N 2.91Å; R101-S103 PolarHBondContact O-N 2.7Å
102V38.2Very low41.5Very low116 Ų116133.9 Ų133.970%0.70375%0.747SS**  trans-62.387.6167.3-179.70000108.1S100 Q104S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.04Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.31Å
103S46.6Very low41.5Very low101 Ų101132.8 Ų132.871%0.70673%0.733SS**  trans-65.193.2166.6171.80000107.2R101 Q105R101-S103 PolarHBondContact O-N 2.7Å; S103-Q105 PolarHBondContact O-N 2.93Å
104Q44.4Very low41.2Very low176 Ų176129.5 Ų129.582%0.82273%0.729SS**  trans-54.1105.5168.5-68.8-179.2-3.800107.8V102V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.31Å
105Q44.5Very low41.4Very low170 Ų170132 Ų13279%0.79473%0.73SS**  trans-65.6137.2162.5-68.6-171.5-37.300106.6S103 S107S103-Q105 PolarHBondContact O-N 2.93Å; Q105-S107 PolarHBondContact O-N 2.91Å
106P46.1Very low41.2Very low103 Ų103131.7 Ų131.767%0.66973%0.728SS**  trans-61.2111.5156.227.5-30.3000106.2F108P106-F108 PolarHBondContact O-N 2.8Å
107S43.1Very low41.1Very low78 Ų78128 Ų12855%0.54572%0.721SS.*  trans-54.4125.415737.80000106.2Q105 E109Q105-S107 PolarHBondContact O-N 2.91Å; S107-E109 WeakPolarHBondContact CB-OE1 3.3Å; S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 PolarHBondContact OG-OE1 3.02Å
108F46.5Very low40.8Very low199 Ų199127.6 Ų127.687%0.87372%0.719SS**  trans-7790.9163.4-85.6-89.8000105.9P106 S110P106-F108 PolarHBondContact O-N 2.8Å; F108-S110 PolarHBondContact O-N 3.5Å
109E39.9Very low40.4Very low132 Ų132128 Ų12862%0.61772%0.716SS**  trans-47127.1164.3-83.867.4-121.500108.5S107 Y111S107-E109 WeakPolarHBondContact CB-OE1 3.3Å; S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 PolarHBondContact OG-OE1 3.02Å; E109-Y111 PolarHBondContact O-N 3.26Å
110S40.8Very low40.3Very low110 Ų110134.5 Ų134.577%0.76973%0.729SS**  trans-62.4109.7178.549.80000109.4F108 D112F108-S110 PolarHBondContact O-N 3.5Å; S110-D112 PolarHBondContact O-N 3.1Å
111Y39.5Very low40.1Very low214 Ų214136.5 Ų136.584%0.83974%0.737SS**  trans-66.476.2163.4-91.9-95.2000109.4E109 S113E109-Y111 PolarHBondContact O-N 3.26Å; Y111-S113 PolarHBondContact O-N 3.32Å
112D39.1Very low39.5Very low94 Ų94129.9 Ų129.950%0.50373%0.725SS.*  trans-65.4107.2151.4-179.612000106.6S110 L404S110-D112 PolarHBondContact O-N 3.1Å; D112-L404 WeakPolarHBondContact OD2-CD2 3.34Å
113S39.7Very low39.2Very low77 Ų77129 Ų12954%0.53872%0.724SS.*  trans-14880.6-178.5-72.10000108.1Y111 M115Y111-S113 PolarHBondContact O-N 3.32Å; S113-M115 PolarHBondContact O-N 3.23Å
114S36.4Very low38.6Very low101 Ų101131.9 Ų131.971%0.70673%0.731SS**  trans-66.565.5173.728.20000111.6S116S114-S116 PolarHBondContact O-N 3.44Å
115M38.2Very low38.2Very low164 Ų164130.8 Ų130.881%0.80873%0.731SS**  trans-90.883.7168.9-76.6-16768.800110.7S113 A117S113-M115 PolarHBondContact O-N 3.23Å; M115-A117 VanDerWaalsContact C-N 3.27Å; M115-A117 PolarHBondContact O-N 3.15Å
116S35.5Very low37.8Very low108 Ų108127.3 Ų127.376%0.75572%0.723SS**  trans-68.284.3165.6-63.10000110.1S114S114-S116 PolarHBondContact O-N 3.44Å
117A38.2Very low37.3Very low82 Ų82129.3 Ų129.368%0.67873%0.728SS**  trans-116.489.7177.900000110.9M115M115-A117 VanDerWaalsContact C-N 3.27Å; M115-A117 PolarHBondContact O-N 3.15Å
118T36.2Very low36.9Very low121 Ų121133.7 Ų133.774%0.74275%0.745SS**  trans-52.1156.1167.940.10000114.5
119S31.9Very low36.3Very low104 Ų104132 Ų13273%0.72774%0.743SS**  trans6874.2150.2-54.90000119.2
120W38.2Very low35.9Very low246 Ų246131 Ų13193%0.93275%0.746SS**  trans-129.261.5154.4-78.587.2000112.4
121T31.2Very low35.6Very low146 Ų146132.1 Ų132.190%0.89674%0.743SS**  trans-92.489.3164.351.80000109.9
122S35.2Very low35.3Very low85 Ų85128.6 Ų128.659%0.59474%0.739SS**  trans-147.9104.4168.6-162.20000108.3
123S32.9Very low35.1Very low98 Ų98131.4 Ų131.469%0.68575%0.753SS**  57.999.593.3-161.30000112.6
124N34Very low34.7Very low161 Ų161136.9 Ų136.986%0.86176%0.762SS**  trans-130.550.8165.4-91-80.7000109P126N124-P126 WeakPolarHBondContact O-CD 3.41Å
125D34.6Very low34.6Very low153 Ų153140.5 Ų140.582%0.81876%0.762SS**  trans-79.4117.5152.1-94.6-38000107.4
126P37.2Very low34.5Very low98 Ų98138.4 Ų138.464%0.63676%0.758SS**  trans-83.5164.2170.735.3-34.2000111.3N124N124-P126 WeakPolarHBondContact O-CD 3.41Å
127D35.2Very low34.3Very low144 Ų144140.7 Ų140.777%0.7776%0.762SS**SBendtrans76.7123.2174.3-50.8-28.8000115.7
128L34.5Very low34.1Very low171 Ų171144.5 Ų144.590%0.89577%0.771SS**  trans64.2121.1-174.2-50.3109000113.6
129I32.9Very low34.1Very low164 Ų164146.1 Ų146.184%0.84177%0.774SS**  cis-132156.328.5-69.9169.6000111.3
130T32.6Very low34.2Very low111 Ų111152.9 Ų152.968%0.68178%0.784SS**  trans-76.3163178.842.20000114.4
131N33.8Very low34Very low132 Ų132146.5 Ų146.571%0.70678%0.777SS**  trans84.9110165.5-52.8-29.7000118.4
132N33.4Very low34.3Very low141 Ų141147.2 Ų147.275%0.75477%0.774SS**  66.7140.4126.9-55.1-19.1000119.7
133L35.5Very low34Very low152 Ų152148.5 Ų148.580%0.79678%0.783SS**  cis-147.7-1661.2-148.668.3000111.3
134R30.8Very low34.3Very low192 Ų192148.9 Ų148.973%0.72578%0.783SS**  trans-96.3-178.3-168.9-58.3175.2179.2-177.6-0.4113.8
135Y34.8Very low34.4Very low177 Ų177147.8 Ų147.869%0.69478%0.778SS**  trans83.3105.5164.2-56.4-66000114.4
136T35.1Very low34.5Very low120 Ų120147.7 Ų147.774%0.73677%0.772SS**  85.712762.759.50000114.3
137N32.1Very low34.3Very low157 Ų157152.4 Ų152.484%0.8479%0.786SS**  trans-27139.9173.3-39.8-25.5000116.7
138D34.5Very low34.2Very low161 Ų161154.5 Ų154.586%0.86179%0.788SS**  -159.4171.9106.8-133.9-34.4000112.9
139L35.1Very low34.2Very low155 Ų155152.9 Ų152.981%0.81279%0.786SS**  trans-136.4107.6-178.7-83.3169.5000112.7
140R34.1Very low34.2Very low247 Ų247152 Ų15293%0.93278%0.783SS**  trans171.5169.8147.8-95.8149.5-173.91731.3112.6
141S34.9Very low34.4Very low112 Ų112154.1 Ų154.178%0.78379%0.788SS**  trans65.5126.1-16869.20000113.5
142L36.9Very low34.3Very low161 Ų161152.9 Ų152.984%0.84379%0.786SS**  cis71.79126-61.8159.9000115.4
143S29Very low34.4Very low112 Ų112152 Ų15278%0.78379%0.786SS**  42.9166.8115.7-78.80000121.9
144P40.4Very low34.2Very low105 Ų105151.5 Ų151.568%0.68278%0.784SS**  cis-136.3171.9-25.637.1-21.2000113.6
145N35.2Very low34.4Very low139 Ų139153.9 Ų153.974%0.74379%0.793SS**  trans166.1162.1147.6-93-26.9000110.8
146Q37Very low34.2Very low151 Ų151149.6 Ų149.671%0.70679%0.789SS**  cis-168.9139.3-36.1-153-173.410800108.4
147Q32.9Very low34.2Very low197 Ų197150.3 Ų150.392%0.92179%0.793SS**  trans-168.4121.4142.3-113.1174.513.900110.9
148F33Very low33.9Very low187 Ų187148.1 Ų148.182%0.8279%0.79SS**  trans-105.9149.5169.2-90.3-98.7000109.4
149T35.2Very low34.1Very low138 Ų138146 Ų14685%0.84779%0.785SS**  trans-94.9136.9157.638.50000110.2
150N32.6Very low34Very low146 Ų146143.2 Ų143.278%0.78178%0.779SS**  trans-65163.3-176.2-56.5-72000111.4
151I35.2Very low33.9Very low154 Ų154138.6 Ų138.679%0.7977%0.771SS**  -161.3126.770.3-85.9171.3000111.2
152T33.3Very low34Very low107 Ų107141.1 Ų141.166%0.65677%0.77SS**  35133.5129.7-14.90000118.6
153T34.9Very low33.9Very low123 Ų123139.9 Ų139.976%0.75576%0.76SS**  cis-159.3159.541.3-45.50000114.3
154N32.3Very low34.4Very low141 Ų141143.2 Ų143.275%0.75476%0.756SS**  trans-62176.5-177.9-48.3-62.9000118.1
155R33.2Very low34.2Very low241 Ų241144.5 Ų144.591%0.90976%0.757SS**  trans88.2141.5167.7-64.6-173.2169-163.3-4116.2
156S30.9Very low34.4Very low88 Ų88144.9 Ų144.962%0.61576%0.759SS**  cis145.1163-20.461.10000108.8
157T35.9Very low34.4Very low135 Ų135142.9 Ų142.983%0.82876%0.757SS**  trans73.2116.3163.6130000118.8
158S25.9Very low34.7Very low111 Ų111142.2 Ų142.278%0.77675%0.751SS**  trans-76.4-172.1155-24.60000110.7
159P38Very low34.8Very low116 Ų116137.5 Ų137.575%0.75374%0.741SS**  cis-136.5-150.4-12.939.6-18.3000113
160S33.4Very low35Very low96 Ų96136.3 Ų136.367%0.67173%0.734SS**  trans84.5113151.374.60000123.2
161I33Very low35.2Very low151 Ų151135.4 Ų135.477%0.77473%0.729SS**  41.6112.6120-51.1163.4000119.8
162Q36.6Very low35.3Very low165 Ų165134.9 Ų134.977%0.77173%0.727SS**  -167.3127.4119.4-100174.24.500107.2
163E34.4Very low35.4Very low134 Ų134134.3 Ų134.363%0.62673%0.728SS**  cis91136.145.1-159.5-160.6-107.700112.9
164R38.4Very low35.8Very low183 Ų183134.9 Ų134.969%0.69173%0.725SS**  trans82.6147.7170.6-51.4-178.7-162.3147.620.2117.9
165N36.4Very low36Very low132 Ų132133.6 Ų133.671%0.70672%0.718SS**  cis-171171.9-34.5-107.1-12.5000109
166N39.1Very low36.1Very low147 Ų147132.1 Ų132.179%0.78671%0.714SS**  trans75150.4155.3-67-18.9000120.1
167V38.3Very low36.4Very low109 Ų109131.1 Ų131.166%0.66172%0.717SS**  cis-170.7162.1-31.583.80000109.4
168K38Very low36.5Very low183 Ų183132.7 Ų132.780%0.79672%0.721SS**  trans68.5150.3165.2-78.2169.1-177174.90116.9
169S35.9Very low37.3Very low88 Ų88132.1 Ų132.162%0.61572%0.715SS**  cis-171.6154.2-17.4-117.70000112.8
170T40Very low37.1Very low113 Ų113136 Ų13669%0.69372%0.719SS**  trans59.9157.5144.359.30000121
171N36.2Very low37.4Very low127 Ų127139.8 Ų139.868%0.67973%0.727SS**  cis-169.5141.9-23.1-101.3-4.9000109.1
172N37Very low37.6Very low142 Ų142139 Ų13976%0.75972%0.724SS**  trans60.3169.9149.5-53.7-18.2000117.3
173S36.9Very low37.6Very low95 Ų95137.4 Ų137.466%0.66472%0.72SS**  cis-155.1148.615.683.90000111.8
174I42.1Very low37.9Very low136 Ų136140.6 Ų140.670%0.69773%0.732SS**  60.2129.598.1-63.2174.1000113.4
175N37.4Very low37.7Very low113 Ų113137.8 Ų137.860%0.60473%0.729SS**  cis-165.7-1740.2-110.1-0.2000108.6
176Y34.8Very low37.8Very low210 Ų210137 Ų13782%0.82473%0.73SS**  cis-164.4145.40.4-121.5-19.9000110.9
177G37.4Very low37.7Very low67 Ų67136.6 Ų136.669%0.69173%0.728SS**  trans62.5177.1147.100000121.1
178N38.1Very low37.3Very low168 Ų168137.8 Ų137.890%0.89873%0.726SS**  cis-158.8165.4-25.1-124.36.2000110.9
179P41.3Very low37.3Very low100 Ų100136 Ų13665%0.64972%0.724SS**  trans-120.5-174.3-163.841.4-30.8000116.7
180K34.9Very low37.1Very low196 Ų196139.2 Ų139.285%0.85273%0.727SS**  trans102.5165.6164.1-61.3177.4179.1-179.90117.6
181Q39.7Very low36.6Very low177 Ų177139.2 Ų139.283%0.82773%0.732SS**  trans90.8133.7-177.9-58.2-167.4-31.600116.5
182D37.6Very low36.4Very low134 Ų134138.5 Ų138.572%0.71774%0.736SS**  cis-157.2169.3-23.1-119-27.3000114.1
183L36.8Very low36.1Very low132 Ų132138 Ų13869%0.69173%0.733SS**  trans-81.8147.6-172.7-66.997000116.5I185L183-I185 HydrophobicContact CD2-CD1 3.99Å
184K40.4Very low36.1Very low201 Ų201141.3 Ų141.387%0.87474%0.735SS**  trans-179.4124.6139.3-95.6148.3-174.6176.30107.9
185I34Very low35.5Very low123 Ų123140 Ų14063%0.63174%0.739SS**  cis75.613835.4-48.7178000113L183L183-I185 HydrophobicContact CD2-CD1 3.99Å
186T38.7Very low35.5Very low116 Ų116141.7 Ų141.771%0.71275%0.746SS**  trans83.3146.9179.374.80000117.1
187N35.6Very low35.2Very low139 Ų139141.9 Ų141.974%0.74375%0.751SS**  cis-164.2149.5-22.5-106.8-6.5000112.3
188E31.1Very low35.1Very low133 Ų133144.3 Ų144.362%0.62175%0.753SS**  trans62.8-179.9144.9-71.4-102.4165.900120.9K190E188-K190 IonicContact OE1-NZ 3.99Å; E188-K190 IonicContact OE2-NZ 3.71Å; E188-K190 PolarHBondContact OE2-NZ 2.95Å
189L38Very low34.8Very low147 Ų147145.9 Ų145.977%0.7775%0.752SS**  trans67.589173.8-48.7-174.8000116
190K31.2Very low34.5Very low155 Ų155150.3 Ų150.367%0.67476%0.764SS**  65.912059-58171.7175.3145.90115.3E188E188-K190 IonicContact OE1-NZ 3.99Å; E188-K190 IonicContact OE2-NZ 3.71Å; E188-K190 PolarHBondContact OE2-NZ 2.95Å
191S29.3Very low34.3Very low113 Ų113146.2 Ų146.279%0.7976%0.755SS**  trans5591.3148.357.40000120.5
192S32Very low33.9Very low111 Ų111147.4 Ų147.478%0.77676%0.758SS**  trans-170.5147.1151.2-92.30000111.1
193L31.9Very low33.8Very low131 Ų131148.6 Ų148.669%0.68676%0.759SS**  cis-162.6159.1-16.5-15359.3000110.3
194K36.1Very low33.5Very low165 Ų165148.3 Ų148.372%0.71777%0.768SS**  trans49.995.8157.6-75.1153.6-169.81750119.7
195S28.8Very low33.3Very low109 Ų109147 Ų14776%0.76276%0.762SS**  18.2122.2119.560.10000119.9
196I37.1Very low33.3Very low148 Ų148150.4 Ų150.476%0.75977%0.773SS**  trans-122.7120.8146.5-64.5179.9000108.2T198I196-T198 HydrophobicContact CG2-CG2 3.93Å
197K30.1Very low33.3Very low214 Ų214154.4 Ų154.493%0.9378%0.78SS**  trans-90.6111.9161.7-80.2-179.2176.3176.40107.4
198T34.8Very low33.2Very low119 Ų119154.9 Ų154.973%0.7378%0.783SS**  trans-116.4125.7163.930.20000109.7I196I196-T198 HydrophobicContact CG2-CG2 3.93Å
199K31.9Very low33.6Very low201 Ų201153.8 Ų153.887%0.87479%0.788SS**  trans-100.683-177.8177.2-166.5176.8-171.10106.7
200E34.5Very low33.4Very low192 Ų192153.5 Ų153.590%0.89779%0.786SS**  trans-88.2123.7-172.1-154.2160.4-13900111.6
201T31.7Very low33.7Very low111 Ų111156.1 Ų156.168%0.68180%0.798SS**  trans-94.3153-173.6-580000110.4Q203T201-Q203 PolarHBondContact O-N 3.39Å
202F30.9Very low34.1Very low202 Ų202162.7 Ų162.789%0.88681%0.805SS**  trans-37.7128.5166.6-65.7-102.6000113.8
203Q34.2Very low34Very low158 Ų158162.4 Ų162.474%0.73880%0.803SS**  trans-159.5113.5133.2-81.3-145.20.200111.2T201 K205T201-Q203 PolarHBondContact O-N 3.39Å; Q203-K205 PolarHBondContact O-N 3.31Å; Q203-K205 VanDerWaalsContact O-N 3.15Å
204S31.3Very low34.4Very low126 Ų126163.8 Ų163.888%0.88181%0.809SS**  trans-82.682.1175.441.90000111.9K206S204-K206 PolarHBondContact O-N 2.94Å
205K36Very low34.3Very low173 Ų173161.2 Ų161.275%0.75281%0.808SS**  trans-74.8104.9-178.7-70.4-172.2176.7179.90113.1Q203Q203-K205 PolarHBondContact O-N 3.31Å; Q203-K205 VanDerWaalsContact O-N 3.15Å
206K35.1Very low35Very low196 Ų196163.2 Ų163.285%0.85281%0.809SS**  trans-62.1138.9153.9-69.2176.7178.4174.10109.5S204S204-K206 PolarHBondContact O-N 2.94Å
207K38.2Very low35Very low199 Ų199162 Ų16287%0.86580%0.804SS**  163124.3124.2-92.2174.6179.6-177.70113.3
208N32.4Very low35.4Very low150 Ų150158.1 Ų158.180%0.80279%0.793SS**  -165.2148.9129.5-103.7-40.1000106.6L210N208-L210 PolarHBondContact OD1-N 3.49Å
209P39.6Very low35.8Very low110 Ų110159.5 Ų159.571%0.71480%0.796SS**  cis-128.9139.444.137.4-22000117.2
210L34.5Very low36.1Very low141 Ų141156.2 Ų156.274%0.73879%0.789SS**  50.791.6115.3-148.2170000118.3N208N208-L210 PolarHBondContact OD1-N 3.49Å
211F37.6Very low36.4Very low209 Ų209154.9 Ų154.992%0.91778%0.784SS**  trans-139.3150.2149.5-89-77.3000110.4
212R37.7Very low37Very low252 Ų252154.4 Ų154.495%0.95178%0.783SS**  trans-86.5149.6-176-93.7-177168.6-175-4.4112.8
213S30.6Very low37.5Very low104 Ų104151.5 Ų151.573%0.72778%0.777SS**  trans-103.7139-179.952.50000114
214I39.6Very low37.7Very low160 Ų160149.5 Ų149.582%0.82177%0.771SS**  trans-160.9117.7146.8-1.9168.7000103.7
215T34.1Very low38Very low112 Ų112149.3 Ų149.369%0.68776%0.759SS**  56.6135.854.673.80000112.7
216L42.5Very low38.1Very low151 Ų151149.7 Ų149.779%0.79176%0.763SS**  cis-129.4-166.37.9-56.6155000109.3
217D38.8Very low38.2Very low123 Ų123147 Ų14766%0.65876%0.758SS**  cis-155.7-166.5-6-140.2-46.1000111.1
218N37.5Very low38Very low131 Ų131143.4 Ų143.470%0.70175%0.748SS**  trans-99.4168.6176.2-53.6-80.8000113.3
219D43.4Very low38.3Very low148 Ų148143.9 Ų143.979%0.79175%0.751SS**  -171.4152.3102.5-113.7-33.7000117.1
220N37.6Very low38.2Very low133 Ų133146 Ų14671%0.71176%0.756SS**  trans-55.2173177.5-66.9-71.6000116.5
221M41.5Very low38.7Very low164 Ų164143.8 Ų143.881%0.80875%0.75SS**  cis-174171-25.3-101.6-87100.700106.2
222P45Very low38.8Very low100 Ų100141.3 Ų141.365%0.64975%0.746SS**  trans-96.6169.7-170.439.4-36.7000115.1
223N39.7Very low38.8Very low142 Ų142134.8 Ų134.876%0.75974%0.739SS**  trans-174.5159.7154.7-96.812.1000106.2
224D39.4Very low39.1Very low115 Ų115135.6 Ų135.662%0.61574%0.744SS**  cis-162.5162.4-0.1-120.9-28.9000112.5
225I38.3Very low38.9Very low123 Ų123134 Ų13463%0.63175%0.747SS**  trans52.9127.5140-65.9160.8000122.9
226H38.1Very low39.1Very low180 Ų180133.3 Ų133.383%0.83375%0.747SS**  trans54.4153.5156.4-64.4-34.8000118.9
227N35.4Very low39.2Very low139 Ų139132 Ų13274%0.74375%0.751SS**  cis-156.4179.235.6-163.2-3.6000112
228N34.3Very low39.2Very low125 Ų125131.9 Ų131.967%0.66876%0.755SS**  trans-71146.4179.6-53.6-87.2000113.3
229N39.4Very low39.4Very low160 Ų160131 Ų13186%0.85676%0.759SS**  173.7138.9109-86.5-42000115.4
230N37.7Very low39.3Very low153 Ų153134.5 Ų134.582%0.81876%0.761SS**  trans-39.5175.9158.8-118.5-6000116.4
231P44.2Very low39.4Very low95 Ų95134.4 Ų134.462%0.61776%0.76SS**  cis-145-1635.135.5-10.7000116.4
232L40.9Very low39.2Very low158 Ų158135.5 Ų135.583%0.82776%0.76SS**  trans73.5137.2158.7-62.7167.1000117.1
233S36.4Very low38.9Very low115 Ų115140.2 Ų140.280%0.80477%0.77SS**  cis-145.5170.214.2-99.50000112.9
234S36.9Very low38.8Very low120 Ų120140.8 Ų140.884%0.83977%0.773SS**  trans-115.4155.2-16954.70000115.2
235S36.8Very low38.5Very low127 Ų127140 Ų14089%0.88878%0.776SS**  trans-152.9147.1146.6-172.20000109
236S36.8Very low38.5Very low98 Ų98142.9 Ų142.969%0.68578%0.784SS**  trans-158.1155.5-167.668.10000114.3
237S45.7Very low38.2Very low124 Ų124140 Ų14087%0.86778%0.784SS**  trans-157.7151.2156.6-83.10000108.9
238T38.8Very low38Very low120 Ų120138.5 Ų138.574%0.73679%0.785SS**  trans-141.3147.6-158.670.90000115.4
239S41.4Very low38.1Very low113 Ų113141.8 Ų141.879%0.7980%0.796SS**  -160.7128.11295.70000107.8
240R40.3Very low37.9Very low221 Ų221138.8 Ų138.883%0.83479%0.788SS**  64.5118.662.2-81.2-169.1168-166.5-2111.2
241L39.4Very low37.9Very low131 Ų131136.8 Ų136.869%0.68678%0.777SS**  cis-148.315721.2-82.7173.8000116
242K39Very low37.6Very low186 Ų186139.8 Ų139.881%0.80978%0.78SS**  trans62.1110.7142.3-72.5172.5178.8-177.40121.3
243K38Very low37.5Very low199 Ų199141.8 Ų141.887%0.86578%0.782SS**  trans-56.8158.9142.8-51.8172.3179.5179.80111
244L37Very low37.4Very low155 Ų155142.9 Ų142.981%0.81278%0.778SS**  -164.6156.6123.2-105.9172.1000110.7F246L244-F246 HydrophobicContact CD2-CE2 4.07Å; L244-F246 HydrophobicContact CD2-CZ 4.49Å
245S33.8Very low37.3Very low97 Ų97146.9 Ų146.968%0.67878%0.776SS**  trans-144116.6-165.853.40000112.3
246F37.9Very low37.3Very low185 Ų185152 Ų15281%0.81178%0.776SS**  trans-143.2126.5166-64-71.4000106.7L244L244-F246 HydrophobicContact CD2-CE2 4.07Å; L244-F246 HydrophobicContact CD2-CZ 4.49Å
247S31.3Very low37.3Very low119 Ų119151.8 Ų151.883%0.83278%0.775SS**  76.8133.261.8-1630000112.4
248S31.4Very low37.1Very low108 Ų108152.4 Ų152.476%0.75577%0.768SS**  trans-98.3136.5-164.554.20000113.4
249Q38Very low37.1Very low194 Ų194156.9 Ų156.991%0.90777%0.772SS**  trans-157.8164.2151.5-119.4168.76.100113.2
250S34.6Very low37.1Very low97 Ų97159.7 Ų159.768%0.67878%0.777SS**  trans-64.3165.5174.950.10000112.2
251D37.3Very low37Very low110 Ų110158.3 Ų158.359%0.58878%0.778SS**  -173.6161.250.6-145.26.4000116.1
252K38.1Very low37Very low159 Ų159155.8 Ų155.869%0.69177%0.771SS**  trans12122.8156-62.9158.9-167.5810121.2
253K39.5Very low37.3Very low199 Ų199156 Ų15687%0.86577%0.772SS**  trans163.7150.1132.1-91.2152.9-175.5177.30110
254L33.4Very low37.4Very low138 Ų138153.3 Ų153.372%0.72377%0.771SS**  cis171.7125.1-24.4-111.6177.7000104.4
255Y35Very low37.5Very low205 Ų205153.4 Ų153.480%0.80477%0.772SS**  trans64.8160.7173.7-75.2-98.4000116.5
256R37.3Very low38Very low233 Ų233153.7 Ų153.788%0.87977%0.771SS**  cis-139154.518.1-155.4-177.6-158.6174.35112.7
257S37.1Very low38Very low94 Ų94154.3 Ų154.366%0.65777%0.774SS**  trans-103.9144.9-178-210000112.9
258D39.7Very low38.1Very low137 Ų137157.3 Ų157.373%0.73378%0.775SS**  trans-139.5114.5150.9-86.3-55.1000107.6
259R39.5Very low38.5Very low214 Ų214160.5 Ų160.581%0.80878%0.78SS**  69.7111.480.6-73.1-172.9-176.8-149.5-1.1113.6
260L42.3Very low38.3Very low173 Ų173160.4 Ų160.491%0.90678%0.782SS**  -158.6147.9115.7-103170.7000110.7
261F37Very low38.3Very low192 Ų192163.5 Ų163.584%0.84279%0.79SS**  trans-89.8170.5178.6-81.1-110.1000109.4
262S39Very low38.4Very low77 Ų77166.4 Ų166.454%0.53881%0.805SS.*  cis179.6164.748.869.60000113.7
263K45.4Very low38.4Very low191 Ų191167.4 Ų167.483%0.8381%0.809SS**  trans70.9137.5156.3-61.3158.2-164.7171.90115.6
264V40.2Very low38.1Very low142 Ų142165.1 Ų165.186%0.86181%0.805SS**  cis-133.3159.88-173.80000111
265L39.7Very low38.5Very low158 Ų158165.5 Ų165.583%0.82781%0.807SS**  trans-91.7-166.1179-73.7162.8000112
266P44.3Very low38.4Very low102 Ų102162.2 Ų162.266%0.66280%0.803SS**  cis-134.7170.3-13.515.710.7000117
267K38.1Very low38.5Very low198 Ų198158.7 Ų158.786%0.86180%0.798SS**  trans30.5129.1137-54.6172.4177.8-177.80121.1
268E34.3Very low38.6Very low183 Ų183162.8 Ų162.886%0.85580%0.804SS**  -161.6168.194.5-118.4-178.6-178.600112.8
269M38.5Very low38.4Very low175 Ų175164.8 Ų164.886%0.86281%0.807SS**  trans54.373.3170.3-59.7-172.774.600119
270M34.5Very low38.3Very low191 Ų191161.2 Ų161.294%0.94180%0.803SS**  trans-138.273152.1-81.3-162.117600111.5
271D33.5Very low37.8Very low162 Ų162156.8 Ų156.887%0.86680%0.8SS**  trans-138.1106.8169.7-97.4-53.4000109.4
272L40.6Very low37.6Very low172 Ų172153.9 Ų153.990%0.90180%0.803SS**  trans-175.373.9149.8-103.4163.2000111.9
273K37.4Very low37.4Very low179 Ų179155.3 Ų155.378%0.77881%0.813SS**  trans44.394.5137.3-159.7169.8-172.5174.40118.2
274I33.3Very low36.6Very low151 Ų151151.9 Ų151.977%0.77480%0.804SS**  trans-58.3140.7161.8-63.2166.3000110.2
275I42.2Very low36.5Very low147 Ų147153.6 Ų153.675%0.75481%0.807SS**  trans-129.5127.6157.1-64.1-179.1000106.9
276D32.6Very low36.3Very low136 Ų136153.6 Ų153.673%0.72780%0.801SS**  trans-67.6153.9178.7-68.3-76.4000113.1
277M40.4Very low35.7Very low158 Ų158154 Ų15478%0.77881%0.806SS**  -172.3119.6112-101.4173.563.600113.4
278K38.6Very low35.9Very low180 Ų180151 Ų15178%0.78380%0.804SS**  trans45.4102.4147.6-58.8175-176.7176.30117.3
279K35.3Very low36.1Very low180 Ų180147.5 Ų147.578%0.78380%0.795SS**  71.7106.273.7-174.7-131.9173.9-151.20113.6
280D36.6Very low35.8Very low138 Ų138146.4 Ų146.474%0.73880%0.798SS**  -173.5161.5125.1-89.1-24.7000110.9
281G33.2Very low35.7Very low81 Ų81142.5 Ų142.584%0.83579%0.79SS**  trans75.571.8161.500000119.4
282S31.5Very low35.6Very low130 Ų130138.1 Ų138.191%0.90978%0.783SS**  trans-88.6120.1171168.80000112.9
283S34.4Very low35.7Very low107 Ų107135.7 Ų135.775%0.74878%0.781SS**  trans-152.6126.1155.953.80000113.9L285S283-L285 PolarHBondContact O-N 2.87Å
284D30.2Very low36.4Very low120 Ų120134.3 Ų134.364%0.64278%0.777SS**  trans44.452150-98.939.8000121.8K286D284-K286 VanDerWaalsContact C-N 3.25Å; D284-K286 PolarHBondContact O-N 3.15Å; D284-K286 VanDerWaalsContact O-N 3.1Å; D284-K286 IonicContact OD1-NZ 2.64Å; D284-K286 WeakPolarHBondContact OD2-CE 3.42Å; D284-K286 IonicContact OD2-NZ 2.58Å; D284-K286 PolarHBondContact OD2-NZ 2.82Å
285L36.7Very low37.6Very low178 Ų178132.1 Ų132.193%0.93277%0.767SS**  trans-79.972.2152.3-73.9-179.5000111.6S283 S287S283-L285 PolarHBondContact O-N 2.87Å; L285-S287 PolarHBondContact O-N 3.27Å
286K37.2Very low39.2Very low158 Ų158130.7 Ų130.769%0.68776%0.759SS**  trans-63121.5168.5-78.1173.7173130.90109.9D284 V288D284-K286 VanDerWaalsContact C-N 3.25Å; D284-K286 PolarHBondContact O-N 3.15Å; D284-K286 VanDerWaalsContact O-N 3.1Å; D284-K286 IonicContact OD1-NZ 2.64Å; D284-K286 WeakPolarHBondContact OD2-CE 3.42Å; D284-K286 IonicContact OD2-NZ 2.58Å; D284-K286 PolarHBondContact OD2-NZ 2.82Å; K286-V288 PolarHBondContact O-N 3.47Å; K286-V288 VanDerWaalsContact O-N 3.13Å
287S31.4Very low41.1Very low109 Ų109132.1 Ų132.176%0.76276%0.759SS**  trans-64.5109-173.841.40000112.2L285 T289L285-S287 PolarHBondContact O-N 3.27Å; S287-T289 PolarHBondContact O-N 3.17Å
288V42.1Very low42.8Very low136 Ų136126.4 Ų126.482%0.82474%0.741SS**  trans-74.198.9172.8-179.90000108.7K286K286-V288 PolarHBondContact O-N 3.47Å; K286-V288 VanDerWaalsContact O-N 3.13Å
289T36.9Very low44.7Very low110 Ų110121.4 Ų121.468%0.67572%0.722SS**  trans-63.7144.1-18044.30000112.4S287 S291S287-T289 PolarHBondContact O-N 3.17Å; T289-S291 PolarHBondContact O-N 3Å
290T33.4Very low46.7Very low151 Ų151120.5 Ų120.593%0.92671%0.714SS**SBendtrans-81.550.5-170.439.90000113.9
291S32.3Very low48.6Very low109 Ų109121.1 Ų121.176%0.76271%0.71SS**  trans-155.6136.6162.866.70000112.4T289T289-S291 PolarHBondContact O-N 3Å
292G32.2Very low50.6Low70 Ų70125.9 Ų125.972%0.72270%0.703SS**  trans146.6123.7179.800000111.6Q294G292-Q294 PolarHBondContact O-N 3.09Å
293S40.7Very low52.7Low122 Ų122122.2 Ų122.285%0.85368%0.681SS**  trans-59.3118177.748.80000110.6N295S293-N295 PolarHBondContact O-N 3.36Å
294Q52Low54.6Low150 Ų150122.6 Ų122.670%0.70167%0.669SS**  trans-61.5103.6179.8-72.2-172.5-13.200110.4G292 I296 L299G292-Q294 PolarHBondContact O-N 3.09Å; Q294-I296 PolarHBondContact O-N 3.38Å; Q294-I296 VanDerWaalsContact O-N 3.17Å; Q294-L299 HydrophobicContact CB-CD1 4.22Å
295N59.8Low56.6Low104 Ų104121.9 Ų121.956%0.55666%0.661SS**  trans-63117.5174.2-179.5-11.9000108.6S293 K297 G298 L299S293-N295 PolarHBondContact O-N 3.36Å; N295-K297 PolarHBondContact O-N 3.05Å; N295-K297 VanDerWaalsContact O-N 3.11Å; N295-K297 WeakPolarHBondContact OD1-CB 3.35Å; N295-K297 PolarHBondContact OD1-N 3.42Å; N295-G298 WeakPolarHBondContact O-CA 3.16Å; N295-G298 PolarHBondContact O-N 2.9Å; N295-L299 PolarHBondContact O-N 2.91Å
296I76.2Confident58.3Low118 Ų118116.9 Ų116.961%0.60564%0.641SS**Hα-helixtrans-51.5-36.5179.5-72.8170.6000111.4Q294 G298 L299 W300Q294-I296 PolarHBondContact O-N 3.38Å; Q294-I296 VanDerWaalsContact O-N 3.17Å; I296-G298 VanDerWaalsContact C-N 3.29Å; I296-G298 PolarHBondContact O-N 3.17Å; I296-L299 PolarHBondContact O-N 2.8Å; I296-W300 VanDerWaalsContact O-CD1 3.23Å; I296-W300 PolarHBondContact O-N 3.31Å
297K72.7Confident59.6Low165 Ų165114.2 Ų114.272%0.71763%0.634SS**Hα-helixtrans-63.3-32.4175.3-62-173.5176.5-174.20113.3N295 K301N295-K297 PolarHBondContact O-N 3.05Å; N295-K297 VanDerWaalsContact O-N 3.11Å; N295-K297 WeakPolarHBondContact OD1-CB 3.35Å; N295-K297 PolarHBondContact OD1-N 3.42Å; K297-K301 PolarHBondContact O-N 2.94Å
298G75.6Confident61Low38 Ų38117.3 Ų117.339%0.39263%0.629SS.*Hα-helixtrans-72.4-37.917600000112.7N295 I296 R302N295-G298 WeakPolarHBondContact O-CA 3.16Å; N295-G298 PolarHBondContact O-N 2.9Å; I296-G298 VanDerWaalsContact C-N 3.29Å; I296-G298 PolarHBondContact O-N 3.17Å; G298-R302 WeakPolarHBondContact O-CB 3.42Å; G298-R302 PolarHBondContact O-N 2.83Å
299L77.9Confident61.8Low76 Ų76118 Ų11840%0.39862%0.621SS.*Hα-helixtrans-63.2-47.9170.4-72.7167.8000110.9Q294 N295 I296 R302 A303Q294-L299 HydrophobicContact CB-CD1 4.22Å; N295-L299 PolarHBondContact O-N 2.91Å; I296-L299 PolarHBondContact O-N 2.8Å; L299-R302 PolarHBondContact O-N 3.39Å; L299-A303 PolarHBondContact O-N 3.46Å
300W77.2Confident62.5Low161 Ų161116.9 Ų116.961%0.6161%0.611SS**Hα-helixtrans-59.9-45.8175.9-82.4106.2000112.9I296 R302 A303 F304I296-W300 VanDerWaalsContact O-CD1 3.23Å; I296-W300 PolarHBondContact O-N 3.31Å; W300-R302 VanDerWaalsContact C-N 3.33Å; W300-R302 PolarHBondContact O-N 3.5Å; W300-A303 PolarHBondContact O-N 2.93Å; W300-F304 AromaticContact CE3-CD2 3.99Å; W300-F304 HydrophobicContact CE3-CD2 3.99Å; W300-F304 AromaticContact CE3-CE2 3.68Å; W300-F304 HydrophobicContact CE3-CE2 3.68Å; W300-F304 AromaticContact CZ3-CE2 3.98Å; W300-F304 HydrophobicContact CZ3-CE2 3.98Å; W300-F304 WeakPolarHBondContact O-CB 3.37Å; W300-F304 WeakPolarHBondContact O-CD2 3.36Å; W300-F304 PolarHBondContact O-N 3.16Å
301K77.1Confident63.5Low151 Ų151118 Ų11866%0.65760%0.603SS**Hα-helixtrans-57.6-45.6174.3-104.4-158.1173.8-163.10111.2K297 F304 H305K297-K301 PolarHBondContact O-N 2.94Å; K301-F304 PolarHBondContact O-N 2.98Å; K301-H305 PolarHBondContact O-CD2 2.94Å; K301-H305 PolarHBondContact O-N 3.35Å
302R74.9Confident64.2Low180 Ų180117.7 Ų117.768%0.67960%0.597SS**Hα-helixtrans-62.6-46-179.6-164.4177.2-65.1175.6-1.7111.7G298 L299 W300 H305 S306G298-R302 WeakPolarHBondContact O-CB 3.42Å; G298-R302 PolarHBondContact O-N 2.83Å; L299-R302 PolarHBondContact O-N 3.39Å; W300-R302 VanDerWaalsContact C-N 3.33Å; W300-R302 PolarHBondContact O-N 3.5Å; R302-H305 PolarHBondContact O-N 3.37Å; R302-S306 PolarHBondContact O-N 3.48Å; R302-S306 VanDerWaalsContact O-N 3.11Å; R302-S306 PolarHBondContact O-OG 2.87Å
303A75.1Confident64.9Low54 Ų54119.2 Ų119.245%0.44659%0.589SS.*Hα-helixtrans-61.9-45.1176.200000112.5L299 W300 H305 S306 L307L299-A303 PolarHBondContact O-N 3.46Å; W300-A303 PolarHBondContact O-N 2.93Å; A303-H305 VanDerWaalsContact C-N 3.35Å; A303-H305 PolarHBondContact O-N 3.2Å; A303-S306 PolarHBondContact O-N 3.45Å; A303-L307 PolarHBondContact O-N 3Å
304F74.5Confident65.2Low114 Ų114119.8 Ų119.850%0.558%0.576SS.*Hα-helixtrans-64.6-34.3177.3-96.7-76.7000113.3W300 K301 R308W300-F304 AromaticContact CE3-CD2 3.99Å; W300-F304 HydrophobicContact CE3-CD2 3.99Å; W300-F304 AromaticContact CE3-CE2 3.68Å; W300-F304 HydrophobicContact CE3-CE2 3.68Å; W300-F304 AromaticContact CZ3-CE2 3.98Å; W300-F304 HydrophobicContact CZ3-CE2 3.98Å; W300-F304 WeakPolarHBondContact O-CB 3.37Å; W300-F304 WeakPolarHBondContact O-CD2 3.36Å; W300-F304 PolarHBondContact O-N 3.16Å; K301-F304 PolarHBondContact O-N 2.98Å; F304-R308 WeakPolarHBondContact O-CG 3.46Å; F304-R308 PolarHBondContact O-N 3.26Å
305H71.7Confident64.7Low105 Ų105117.9 Ų117.949%0.48657%0.57SS.*Hα-helixtrans-68.5-42.9173.6-80.9-70.7000112K301 R302 A303 L307 R308 K309K301-H305 PolarHBondContact O-CD2 2.94Å; K301-H305 PolarHBondContact O-N 3.35Å; R302-H305 PolarHBondContact O-N 3.37Å; A303-H305 VanDerWaalsContact C-N 3.35Å; A303-H305 PolarHBondContact O-N 3.2Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-L307 PolarHBondContact O-N 3.37Å; H305-R308 PolarHBondContact O-N 2.92Å; H305-K309 PolarHBondContact O-N 3.3Å; H305-K309 VanDerWaalsContact O-N 3.11Å
306S72.4Confident64Low73 Ų73119.7 Ų119.751%0.5158%0.575SS.*Hα-helixtrans-58.3-46.5173.5-59.70000111.6R302 A303 R308 K309 D310R302-S306 PolarHBondContact O-N 3.48Å; R302-S306 VanDerWaalsContact O-N 3.11Å; R302-S306 PolarHBondContact O-OG 2.87Å; A303-S306 PolarHBondContact O-N 3.45Å; S306-R308 PolarHBondContact O-N 3.35Å; S306-R308 VanDerWaalsContact O-N 3.14Å; S306-K309 PolarHBondContact O-N 2.92Å; S306-K309 VanDerWaalsContact O-N 3.16Å; S306-D310 PolarHBondContact O-N 2.97Å; S306-D310 VanDerWaalsContact O-N 3.17Å
307L65.8Low62.4Low102 Ų102121.2 Ų121.253%0.53458%0.583SS.*Hα-helixtrans-65.2-16.8-179.8-14280.7000114.2A303 H305A303-L307 PolarHBondContact O-N 3Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-L307 PolarHBondContact O-N 3.37Å
308R60.4Low61Low174 Ų174120.6 Ų120.666%0.65758%0.58SS**Hα-helixtrans-87.9-40.8172.2-74.3-179.8-179-173.10.6112.2F304 H305 S306 D310 K311F304-R308 WeakPolarHBondContact O-CG 3.46Å; F304-R308 PolarHBondContact O-N 3.26Å; H305-R308 PolarHBondContact O-N 2.92Å; S306-R308 PolarHBondContact O-N 3.35Å; S306-R308 VanDerWaalsContact O-N 3.14Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 2.86Å; R308-K311 PolarHBondContact O-N 3.27Å
309K58.8Low59.2Low150 Ų150128.9 Ų128.965%0.65260%0.6SS**Hα-helixtrans-61.9-38.2177.4-69.4-166.9173.9-161.60112.3H305 S306 K311 T312H305-K309 PolarHBondContact O-N 3.3Å; H305-K309 VanDerWaalsContact O-N 3.11Å; S306-K309 PolarHBondContact O-N 2.92Å; S306-K309 VanDerWaalsContact O-N 3.16Å; K309-K311 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-N 3.33Å
310D52.8Low57.4Low88 Ų88135.4 Ų135.447%0.47163%0.625SS.*THydrogen-bonded Turntrans-58-11.7176.6-119.642.5000115.3S306 R308 K314S306-D310 PolarHBondContact O-N 2.97Å; S306-D310 VanDerWaalsContact O-N 3.17Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 2.86Å; D310-K314 WeakPolarHBondContact O-CE 3.47Å
311K53Low55.5Low173 Ų173135.5 Ų135.575%0.75263%0.632SS**THydrogen-bonded Turntrans-99.4-16.6176.8-67.8-167.4175.2-170.40114.5R308 K309R308-K311 PolarHBondContact O-N 3.27Å; K309-K311 PolarHBondContact O-N 2.99Å
312T48.3Very low53.4Low104 Ų104135.3 Ų135.364%0.63864%0.638SS**THydrogen-bonded Turntrans-97.8-33.7-173.7-24.10000113.1K309 K314K309-T312 PolarHBondContact O-N 3.33Å; T312-K314 VanDerWaalsContact C-N 3.31Å; T312-K314 PolarHBondContact O-N 2.84Å
313D46.6Very low51.4Low102 Ų102130.1 Ų130.155%0.54564%0.641SS.*G310 helixtrans-77.4-10.7-177.4-76.5-47.6000114.6D315 Q316D313-D315 VanDerWaalsContact C-N 3.3Å; D313-D315 PolarHBondContact O-N 3.48Å; D313-Q316 PolarHBondContact O-N 2.94Å
314K46.6Very low49.6Very low134 Ų134135.9 Ų135.958%0.58366%0.664SS**G310 helixtrans-75.8-8.6-173.6-69.4-168178.3177.70115.8D310 T312D310-K314 WeakPolarHBondContact O-CE 3.47Å; T312-K314 VanDerWaalsContact C-N 3.31Å; T312-K314 PolarHBondContact O-N 2.84Å
315D42.1Very low47.6Very low109 Ų109139.1 Ų139.158%0.58368%0.681SS**G310 helixtrans-103.4-3.9174.7-75.8-45.3000114.5D313 K318D313-D315 VanDerWaalsContact C-N 3.3Å; D313-D315 PolarHBondContact O-N 3.48Å; D315-K318 IonicContact OD1-NZ 3.98Å; D315-K318 PolarHBondContact OD1-NZ 2.8Å
316Q44.7Very low45.7Very low142 Ų142139.8 Ų139.866%0.66470%0.698SS**THydrogen-bonded Turntrans-82.9-32.6170.9-62.4-108.253.700111.6D313 K318D313-Q316 PolarHBondContact O-N 2.94Å; Q316-K318 PolarHBondContact O-N 2.85Å
317I43Very low43.6Very low151 Ų151142.6 Ų142.677%0.77471%0.712SS**THydrogen-bonded Turntrans-80.747.2-178.4-38.1179.8000112.2
318K42.2Very low42Very low151 Ų151143.7 Ų143.766%0.65772%0.718SS**THydrogen-bonded Turntrans-1365.2175.5-70.5178.2-173.9154.90113.9D315 Q316D315-K318 IonicContact OD1-NZ 3.98Å; D315-K318 PolarHBondContact OD1-NZ 2.8Å; Q316-K318 PolarHBondContact O-N 2.85Å
319R38.1Very low40.8Very low212 Ų212141.4 Ų141.480%0.873%0.726SS**  trans-135.569.4-179.3-77.7-176.7-77.8170.6-3.4112.8
320K40Very low39.7Very low213 Ų213142.1 Ų142.193%0.92673%0.732SS**  trans-151.3151.8151-114.9173.8-176.8179.60109.9
321E38.1Very low38.8Very low164 Ų164142.9 Ų142.977%0.76674%0.74SS**  trans-97.6154.6-157-79.2178.578.600115.5
322N32.1Very low38.4Very low146 Ų146139.4 Ų139.478%0.78174%0.735SS**  trans37.2101.8135.5-51.5-30.1000117.9
323G33.3Very low37.9Very low72 Ų72143.7 Ų143.774%0.74275%0.748SS**  trans-174.766.1174.900000117.6
324N37.1Very low38.2Very low174 Ų174141.3 Ų141.393%0.9375%0.747SS**  trans62.6169166.5-65.5-26000118.1
325Q32.3Very low38.6Very low182 Ų182143.1 Ų143.185%0.8576%0.758SS**  trans-102.7142.2-171-61.2177.57.600112.1
326S31.6Very low39.8Very low120 Ų120141.4 Ų141.484%0.83975%0.751SS**  trans-140.5138.3139.4-170.20000108.6
327T29.6Very low41.4Very low131 Ų131138.7 Ų138.780%0.80474%0.741SS**  trans-111.494.3-177.250.70000110.2
328D30.2Very low43.2Very low126 Ų126135.8 Ų135.867%0.67473%0.732SS**  trans-149.7132.6170-160.428.1000108.2Q330D328-Q330 PolarHBondContact O-N 2.83Å
329P37.3Very low45Very low126 Ų126132.7 Ų132.782%0.81873%0.726SS**  trans-7666.7176.132.5-35.9000110.1T331P329-T331 PolarHBondContact O-N 3.43Å; P329-T331 VanDerWaalsContact O-N 3.15Å
330Q34.3Very low47Very low164 Ų164126.7 Ų126.777%0.76670%0.704SS**  trans-58.9119.3-173.6-162.6172.417.700110.4D328D328-Q330 PolarHBondContact O-N 2.83Å
331T34.5Very low48.9Very low104 Ų104121.5 Ų121.564%0.63868%0.683SS**  trans-47.9137.5177.5-52.90000110.5P329 E333P329-T331 PolarHBondContact O-N 3.43Å; P329-T331 VanDerWaalsContact O-N 3.15Å; T331-E333 PolarHBondContact O-N 3.27Å
332P44.6Very low50.9Low101 Ų101118.4 Ų118.466%0.65667%0.671SS**  trans-65.198.6168.627.6-33.4000109.1G334P332-G334 PolarHBondContact O-N 3.39Å
333E37.6Very low53.2Low193 Ų193117 Ų11790%0.90266%0.663SS**  trans-72.674.5173.1-67.3-152.5150.900110.7T331T331-E333 PolarHBondContact O-N 3.27Å
334G53.3Low55.5Low52 Ų52120.7 Ų120.754%0.53665%0.654SS.*SBendtrans-151.6143.6168.100000108.4P332 V336P332-G334 PolarHBondContact O-N 3.39Å; G334-V336 PolarHBondContact O-N 3.12Å
335E53.9Low57.4Low172 Ų172114.8 Ų114.880%0.80463%0.626SS**  trans-63.494.4-179.1-171.5178.6-178.100109.6D337 K733E335-D337 PolarHBondContact O-N 3.11Å; E335-K733 IonicContact OE1-NZ 3.34Å
336V67.5Low59.4Low74 Ų74108.7 Ų108.745%0.44861%0.607SS.*  trans-60.6113178.1179.70000107.8G334 P338 Y340 H341G334-V336 PolarHBondContact O-N 3.12Å; V336-P338 VanDerWaalsContact O-N 3.11Å; V336-Y340 HydrophobicContact CG1-CD1 4.21Å; V336-H341 HydrophobicContact CG1-CB 4.25Å
337D79.9Confident61.4Low84 Ų84105.8 Ų105.845%0.44959%0.59SS.*  trans-49.9120-179174.84.2000109.6E335 V339 Y340 H341E335-D337 PolarHBondContact O-N 3.11Å; D337-V339 PolarHBondContact O-N 3.28Å; D337-V339 VanDerWaalsContact O-N 3.13Å; D337-V339 WeakPolarHBondContact OD1-CB 3.46Å; D337-V339 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V339 PolarHBondContact OD1-N 3.11Å; D337-Y340 WeakPolarHBondContact O-CA 3.32Å; D337-Y340 WeakPolarHBondContact O-CB 3.27Å; D337-Y340 PolarHBondContact O-N 3.43Å; D337-H341 PolarHBondContact O-N 3.42Å
338P79.6Confident63.1Low91 Ų91102.9 Ų102.959%0.59158%0.575SS**Hα-helixtrans-60.3-23.6179.924.5-34.6000112.3V336 L342V336-P338 VanDerWaalsContact O-N 3.11Å; P338-L342 WeakPolarHBondContact O-CB 3.47Å; P338-L342 PolarHBondContact O-N 3.33Å
339V79.8Confident64.2Low85 Ų85104.1 Ų104.152%0.51557%0.574SS.*Hα-helixtrans-71.8-44172.4-174.20000110.8D337 L342 L343D337-V339 PolarHBondContact O-N 3.28Å; D337-V339 VanDerWaalsContact O-N 3.13Å; D337-V339 WeakPolarHBondContact OD1-CB 3.46Å; D337-V339 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V339 PolarHBondContact OD1-N 3.11Å; V339-L342 PolarHBondContact O-N 3.1Å; V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CB 3.38Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.47Å; V339-L343 PolarHBondContact O-N 3.41Å
340Y80.8Confident64.6Low87 Ų87102.1 Ų102.134%0.34156%0.564SS.*Hα-helixtrans-61.1-45.4173.2177.5-95000111.6V336 D337 L343 R344V336-Y340 HydrophobicContact CG1-CD1 4.21Å; D337-Y340 WeakPolarHBondContact O-CA 3.32Å; D337-Y340 WeakPolarHBondContact O-CB 3.27Å; D337-Y340 PolarHBondContact O-N 3.43Å; Y340-L343 PolarHBondContact O-N 2.9Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.39Å; Y340-R344 PolarHBondContact O-N 2.86Å
341H80.7Confident65.2Low104 Ų104100.2 Ų100.248%0.48156%0.555SS.*Hα-helixtrans-62.7-44.1176.7-167.291.4000111.5V336 D337 R344 C345V336-H341 HydrophobicContact CG1-CB 4.25Å; D337-H341 PolarHBondContact O-N 3.42Å; H341-R344 PolarHBondContact O-N 3.4Å; H341-C345 WeakPolarHBondContact O-CB 3.38Å; H341-C345 PolarHBondContact O-N 3.15Å; H341-C345 PolarHBondContact O-SG 2.96Å
342L78.4Confident65.3Low99 Ų99100.3 Ų100.352%0.51856%0.555SS.*Hα-helixtrans-64.4-44177.8-176.363.7000112.5P338 V339 R344 C345 A346P338-L342 WeakPolarHBondContact O-CB 3.47Å; P338-L342 PolarHBondContact O-N 3.33Å; V339-L342 PolarHBondContact O-N 3.1Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.38Å; L342-C345 PolarHBondContact O-N 3.05Å; L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.3Å
343L80.2Confident64.9Low117 Ų117100 Ų10061%0.61355%0.552SS**Hα-helixtrans-62.7-40.4175.4-75169.8000111.7V339 Y340 A346 A347V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CB 3.38Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.47Å; V339-L343 PolarHBondContact O-N 3.41Å; Y340-L343 PolarHBondContact O-N 2.9Å; L343-A346 PolarHBondContact O-N 2.92Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.86Å
344R82.1Confident64.7Low148 Ų14893.7 Ų93.756%0.55853%0.532SS*.Hα-helixtrans-63.2-47.4174.7-164.2-178.7-143.9170.17.9111.3Y340 H341 L342 A346 A347 S348Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.39Å; Y340-R344 PolarHBondContact O-N 2.86Å; H341-R344 PolarHBondContact O-N 3.4Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.38Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.38Å; R344-A347 PolarHBondContact O-N 3.4Å; R344-S348 PolarHBondContact O-N 2.88Å; R344-S348 PolarHBondContact O-OG 3.07Å
345C78.4Confident63.9Low50 Ų5096.9 Ų96.934%0.33854%0.541SS..Hα-helixtrans-63.6-36.4175.8-720000112.9H341 L342 K349H341-C345 WeakPolarHBondContact O-CB 3.38Å; H341-C345 PolarHBondContact O-N 3.15Å; H341-C345 PolarHBondContact O-SG 2.96Å; L342-C345 PolarHBondContact O-N 3.05Å; C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.3Å; C345-K349 WeakPolarHBondContact O-CG 3.26Å; C345-K349 PolarHBondContact O-N 2.95Å
346A73.9Confident63.1Low55 Ų5592.9 Ų92.946%0.45554%0.537SS..Hα-helixtrans-65.1-50174.500000111L342 L343 R344 S348 K349 S350L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.3Å; L343-A346 PolarHBondContact O-N 2.92Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.38Å; A346-S348 VanDerWaalsContact C-N 3.33Å; A346-S348 PolarHBondContact O-N 3.43Å; A346-K349 PolarHBondContact O-N 2.89Å; A346-K349 VanDerWaalsContact O-N 3.17Å; A346-S350 PolarHBondContact O-N 3.13Å; A346-S350 PolarHBondContact O-OG 3.47Å; A346-S350 VanDerWaalsContact O-OG 3.09Å
347A73.6Confident61.7Low58 Ų5894.7 Ų94.748%0.47955%0.549SS..Hα-helixtrans-60.9-37.6178.300000113L343 R344 S350L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.86Å; R344-A347 PolarHBondContact O-N 3.4Å; A347-S350 WeakPolarHBondContact CA-OG 3.3Å; A347-S350 PolarHBondContact O-OG 2.87Å
348S63.7Low59.7Low70 Ų7095.8 Ų95.849%0.4956%0.558SS.*Hα-helixtrans-69.4-43.7172.6-63.10000112.3R344 A346 S350 Q351 T352R344-S348 PolarHBondContact O-N 2.88Å; R344-S348 PolarHBondContact O-OG 3.07Å; A346-S348 VanDerWaalsContact C-N 3.33Å; A346-S348 PolarHBondContact O-N 3.43Å; S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 2.92Å; S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; S348-T352 PolarHBondContact O-N 2.98Å; S348-T352 PolarHBondContact O-OG1 3.35Å
349K53.7Low57.2Low152 Ų15295.4 Ų95.466%0.66157%0.571SS**Hα-helixtrans-66.1-33.3179.2-77.6-176.7174.8-169.10112.9C345 A346 Q351 T352 T353C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.3Å; C345-K349 WeakPolarHBondContact O-CG 3.26Å; C345-K349 PolarHBondContact O-N 2.95Å; A346-K349 PolarHBondContact O-N 2.89Å; A346-K349 VanDerWaalsContact O-N 3.17Å; K349-Q351 PolarHBondContact O-N 2.85Å; K349-T352 PolarHBondContact O-N 2.84Å; K349-T353 PolarHBondContact O-N 3.34Å; K349-T353 PolarHBondContact O-OG1 3.04Å; K349-T353 VanDerWaalsContact O-OG1 3.1Å
350S47.2Very low55.1Low85 Ų8598.3 Ų98.359%0.59458%0.582SS**Hα-helixtrans-66.4-14.2174.348.40000114.4A346 A347 S348A346-S350 PolarHBondContact O-N 3.13Å; A346-S350 PolarHBondContact O-OG 3.47Å; A346-S350 VanDerWaalsContact O-OG 3.09Å; A347-S350 WeakPolarHBondContact CA-OG 3.3Å; A347-S350 PolarHBondContact O-OG 2.87Å; S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 2.92Å
351Q45.4Very low52.8Low124 Ų124102.1 Ų102.158%0.57961%0.605SS**Hα-helixtrans-93.8-29.3173.4-66.5-164.5-34.600113.2S348 K349 Q483S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; K349-Q351 PolarHBondContact O-N 2.85Å; Q351-Q483 VanDerWaalsContact NE2-NE2 3.19Å
352T36.4Very low50.4Low106 Ų106105.8 Ų105.865%0.6563%0.628SS**Hα-helixtrans-83-29.1-179-39.90000113.6S348 K349 A354S348-T352 PolarHBondContact O-N 2.98Å; S348-T352 PolarHBondContact O-OG1 3.35Å; K349-T352 PolarHBondContact O-N 2.84Å; T352-A354 PolarHBondContact O-N 2.75Å
353T37.2Very low48.2Very low95 Ų95104.8 Ų104.858%0.58363%0.63SS**THydrogen-bonded Turntrans-79.1-16.7-175.7-48.50000113.9K349K349-T353 PolarHBondContact O-N 3.34Å; K349-T353 PolarHBondContact O-OG1 3.04Å; K349-T353 VanDerWaalsContact O-OG1 3.1Å
354A33.7Very low45.8Very low59 Ų59111 Ų11149%0.48865%0.645SS.*THydrogen-bonded Turntrans-78.7-17.3178.900000114.2T352T352-A354 PolarHBondContact O-N 2.75Å
355V35.5Very low43.5Very low119 Ų119109.8 Ų109.872%0.72165%0.648SS**SBendtrans-86.4-15.6-179-175.30000112
356A37.3Very low41.2Very low88 Ų88114.4 Ų114.473%0.72767%0.67SS**SBendtrans-90.3-6.8-177.900000114.4
357T38.8Very low39.4Very low112 Ų112117.4 Ų117.469%0.68768%0.682SS**SBendtrans-120.10.7-168.751.10000114.8
358T36.6Very low37.5Very low107 Ų107123.6 Ų123.666%0.65670%0.698SS**  trans-110.549-179.745.70000111.9I360T358-I360 PolarHBondContact O-N 3.3Å
359G29Very low36.2Very low83 Ų83126.4 Ų126.486%0.85671%0.713SS**  trans-69.942.7179.800000115.7
360I34Very low35.2Very low146 Ų146129.5 Ų129.575%0.74973%0.726SS**  trans-140.192.7177.1-46.1177.6000110.5T358T358-I360 PolarHBondContact O-N 3.3Å
361M33.9Very low34.6Very low168 Ų168130 Ų13083%0.82873%0.73SS**  175.5113.7125.1-98.4-177.2-74.400111.9S363M361-S363 VanDerWaalsContact C-N 3.3Å; M361-S363 PolarHBondContact O-N 3.04Å
362N29.1Very low34.1Very low180 Ų180129.5 Ų129.596%0.96374%0.74SS**  trans-69.686.3160.2-86.3-36.9000109.7
363S32.9Very low34.1Very low79 Ų79128.6 Ų128.655%0.55274%0.744SS**  trans-96.9114.5165.163.60000109.9M361 I365M361-S363 VanDerWaalsContact C-N 3.3Å; M361-S363 PolarHBondContact O-N 3.04Å; S363-I365 PolarHBondContact O-N 3.41Å
364R29Very low34.2Very low248 Ų248129.5 Ų129.594%0.93675%0.751SS**  trans-73.867.2173.1-68.8-176.6-176.8167.10.9110.4N366R364-N366 VanDerWaalsContact C-N 3.32Å; R364-N366 PolarHBondContact O-N 3.18Å
365I34.9Very low34Very low121 Ų121133.6 Ų133.662%0.62176%0.764SS**  trans-83.185174.6-46-174.8000108.8S363 T367S363-I365 PolarHBondContact O-N 3.41Å; I365-T367 HydrophobicContact CG2-CG2 3.66Å; I365-T367 PolarHBondContact O-N 3.45Å
366N29.7Very low34.2Very low148 Ų148135.1 Ų135.179%0.79177%0.774SS**  trans-6481.2160.4-95-23000108.8R364 K368R364-N366 VanDerWaalsContact C-N 3.32Å; R364-N366 PolarHBondContact O-N 3.18Å; N366-K368 PolarHBondContact O-N 2.92Å
367T36.5Very low33.9Very low117 Ų117135.9 Ų135.972%0.71877%0.774SS**  trans-68.183.6168.346.70000108.9I365 T369I365-T367 HydrophobicContact CG2-CG2 3.66Å; I365-T367 PolarHBondContact O-N 3.45Å; T367-T369 PolarHBondContact O-N 3.48Å
368K33.3Very low33.8Very low188 Ų188138.9 Ų138.982%0.81778%0.784SS**  trans-49.4108.1-176.8-68.7-179.9177.3-179.90111.4N366 K370N366-K368 PolarHBondContact O-N 2.92Å; K368-K370 PolarHBondContact O-N 2.94Å
369T37.2Very low33.5Very low129 Ų129139.6 Ų139.679%0.79179%0.789SS**  trans-61.8104.9165.642.60000109T367 S371T367-T369 PolarHBondContact O-N 3.48Å; T369-S371 PolarHBondContact O-N 2.82Å
370K31.6Very low33.8Very low218 Ų218140.8 Ų140.895%0.94878%0.784SS**  trans-71.994.2172.5-81.8-174.3172.8-178.30109.9K368K368-K370 PolarHBondContact O-N 2.94Å
371S33.9Very low33.7Very low95 Ų95138.2 Ų138.266%0.66478%0.779SS**  trans-135116.8161.254.90000109.6T369T369-S371 PolarHBondContact O-N 2.82Å
372S36.6Very low33.6Very low113 Ų113136.7 Ų136.779%0.7977%0.774SS**  trans-7.6120.5167.449.80000118.8
373A36.2Very low33.9Very low88 Ų88136.4 Ų136.473%0.72777%0.767SS**  30.6146.4108.800000119.5
374P38.8Very low33.8Very low113 Ų113142.1 Ų142.173%0.73478%0.783SS**  cis-134.2153.630.539.9-23.6000118.4
375D29.2Very low34Very low145 Ų145133.9 Ų133.978%0.77578%0.775SS**  trans32.6114.2135.8-47.5-22.3000121
376T38.8Very low34Very low151 Ų151135.3 Ų135.393%0.92678%0.779SS**  -153.8146.1117.1-20000110.1
377S31.2Very low34Very low105 Ų105137.1 Ų137.173%0.73478%0.78SS**  trans-97.8151-176.150.50000112.5
378I36.7Very low34Very low174 Ų174138.8 Ų138.889%0.89278%0.783SS**  trans-161153.9143.4-101.1147.6000108.2
379T30.9Very low34Very low122 Ų122138.9 Ų138.975%0.74878%0.784SS**  trans-110.1169.3-161-55.40000112
380S35Very low33.9Very low108 Ų108137.6 Ų137.676%0.75578%0.78SS**  trans81.5150.8163.480.50000116.8
381S33.2Very low34.1Very low93 Ų93134.6 Ų134.665%0.6578%0.775SS**  cis-172.5151.5-26.648.60000109.6
382N31.5Very low33.9Very low136 Ų136140.9 Ų140.973%0.72779%0.785SS**  trans64.7161.8164.1-64.119.1000115.7
383E34.3Very low33.8Very low173 Ų173140.8 Ų140.881%0.80879%0.785SS**  cis-143.8158-9.7-132.7157134.800110.8
384F30.5Very low33.7Very low200 Ų200143.9 Ų143.988%0.87778%0.784SS**  trans-105.380.1-177.3-139.5-83.4000111
385G33.9Very low33.5Very low75 Ų75146.5 Ų146.577%0.77379%0.789SS**  trans-84.3125.4177.100000113
386Q34.5Very low33.5Very low150 Ų150146.3 Ų146.370%0.70179%0.787SS**  trans-98.5-169.9170.1-61.5-171.536.700111.2
387F30.3Very low33.3Very low187 Ų187144.5 Ų144.582%0.8278%0.781SS**  trans77.8134.1176.1-50.5-71.7000114.4
388L35.8Very low33.2Very low151 Ų151150.1 Ų150.179%0.79179%0.788SS**  cis-133154.5-6.1-74.2105.1000108
389K34Very low33.1Very low191 Ų191148.4 Ų148.483%0.8379%0.788SS**  cis93.180.231.5-165.4-164.5176.9-174.10114.7
390S34.4Very low33Very low101 Ų101145 Ų14571%0.70678%0.777SS**  trans-174.4143.316049.30000109
391D35.7Very low33Very low156 Ų156145 Ų14583%0.83478%0.777SS**  cis-151.2166.2-16.4-95.6-42.3000110.2
392Y31.2Very low33.2Very low226 Ų226148.6 Ų148.689%0.88679%0.787SS**  trans-76.1139.5178.6-93.1-117.5000112.6
393S34.3Very low33.3Very low112 Ų112149.5 Ų149.578%0.78379%0.792SS**  trans-138.8113.6148.363.60000109.7
394E33.4Very low33.4Very low152 Ų152146.7 Ų146.771%0.7178%0.781SS**  trans-87.1112.8-177.5-177178.717900110.2
395M34.9Very low33.5Very low169 Ų169146.1 Ų146.183%0.83378%0.781SS**  trans-133.2101.2175-84.1-67.6148.500111.1S397M395-S397 PolarHBondContact O-N 3.44Å
396N29.8Very low33.5Very low140 Ų140151.5 Ų151.575%0.74978%0.784SS**  trans-67.8116169.8-71.7-67.1000109.7
397S33.6Very low33.4Very low113 Ų113149.1 Ų149.179%0.7979%0.79SS**  trans-154.1149.2169.2-86.90000113M395M395-S397 PolarHBondContact O-N 3.44Å
398Y29.5Very low33.4Very low224 Ų224144.9 Ų144.988%0.87878%0.783SS**  trans-66147.1-165.2-86-113.6000114.5G400Y398-G400 PolarHBondContact O-N 3.32Å
399P34.3Very low33Very low137 Ų137144.6 Ų144.689%0.8979%0.788SS**SBendtrans-72.292.1164.131.3-32.7000109.7
400G30Very low33Very low51 Ų51140.2 Ų140.253%0.52678%0.781SS.*  trans-148.61.9-169.300000118Y398Y398-G400 PolarHBondContact O-N 3.32Å
401S34.7Very low32.8Very low109 Ų109142.2 Ų142.276%0.76279%0.789SS**  trans-156.6111.2178.658.30000113
402I35.8Very low32.7Very low167 Ų167140.8 Ų140.886%0.85679%0.786SS**  trans-105.9107.9161.5-55.8178.8000107
403L34.2Very low32.9Very low156 Ų156137.4 Ų137.482%0.81778%0.782SS**  trans-66.5131.5173-100.2144.1000109.9Q405L403-Q405 PolarHBondContact O-N 2.95Å
404L35.6Very low32.7Very low114 Ų114141.3 Ų141.360%0.59779%0.785SS**  trans-69.497.5172.7-7593.2000110.3D112 K406D112-L404 WeakPolarHBondContact OD2-CD2 3.34Å; L404-K406 PolarHBondContact O-N 2.97Å; L404-K406 VanDerWaalsContact O-N 3.12Å
405Q34.6Very low32.9Very low187 Ų187139.7 Ų139.787%0.87479%0.788SS**  trans-69.2104.4162.1-76.3-170.3-13.800109.4L403 A407L403-Q405 PolarHBondContact O-N 2.95Å; Q405-A407 PolarHBondContact O-N 3.21Å
406K32.6Very low32.6Very low189 Ų189138.5 Ų138.582%0.82279%0.785SS**  trans-62.6104.8166-77.4-178.3174.81770109.4L404 S408L404-K406 PolarHBondContact O-N 2.97Å; L404-K406 VanDerWaalsContact O-N 3.12Å; K406-S408 PolarHBondContact O-N 3.4Å
407A32.2Very low32.9Very low100 Ų100140.8 Ų140.883%0.82679%0.791SS**  trans-73.371.416800000110.5Q405 T409Q405-A407 PolarHBondContact O-N 3.21Å; A407-T409 PolarHBondContact O-N 2.99Å; A407-T409 VanDerWaalsContact O-N 3.15Å
408S30.2Very low33.2Very low98 Ų98140.4 Ų140.469%0.68579%0.789SS**  trans-72.1101.8172.1-75.30000110.1K406 S410K406-S408 PolarHBondContact O-N 3.4Å; S408-S410 PolarHBondContact O-N 3.26Å
409T28.4Very low33.7Very low144 Ų144136.8 Ų136.888%0.88379%0.785SS**  trans-66.5109.4172.538.10000110.8A407A407-T409 PolarHBondContact O-N 2.99Å; A407-T409 VanDerWaalsContact O-N 3.15Å
410S33.2Very low34Very low100 Ų100134.4 Ų134.470%0.69977%0.769SS**  trans-124.3122.9167.448.80000109.3S408S408-S410 PolarHBondContact O-N 3.26Å
411V31.4Very low34.3Very low142 Ų142142.4 Ų142.486%0.86178%0.783SS**  trans-92.1118.7175.9-179.20000107.4
412T32.9Very low34.6Very low126 Ų126148.3 Ų148.377%0.77379%0.789SS**  trans-127127.8175.1-410000109.1
413L35.2Very low34.9Very low155 Ų155144.5 Ų144.581%0.81278%0.775SS**PPolyproline II helixtrans-81.5154.4-179.5-65.2166.1000110.7
414K30.6Very low35.1Very low194 Ų194143.7 Ų143.784%0.84377%0.772SS**PPolyproline II helixtrans-65.7141175.8-70.1-172.9174.5-169.90112.1
415P36.5Very low35.4Very low119 Ų119146.5 Ų146.577%0.77378%0.782SS**PPolyproline II helixtrans-98147136.819.5-2.6000110.8
416N29.5Very low35.5Very low143 Ų143147.7 Ų147.777%0.76578%0.78SS**PPolyproline II helixtrans-88.7144.5154.7-71.4-23.1000107.5
417E36.6Very low35.8Very low188 Ų188145.8 Ų145.888%0.87978%0.778SS**  trans-171.3143.8139-109.9158.8-160.200113.7
418S38.5Very low36.2Very low106 Ų106148.1 Ų148.174%0.74178%0.775SS**  trans33.3113.2158.759.90000122.2
419D40.1Very low36.5Very low148 Ų148152.1 Ų152.179%0.79178%0.783SS**  trans-62.2152.2140.1167.155000110.9
420P41.3Very low37.1Very low87 Ų87149 Ų14957%0.56578%0.78SS**  -154.1158.3120.641.1-24.7000118.2
421R37.3Very low37.4Very low218 Ų218150.8 Ų150.882%0.82378%0.781SS**  trans99.5107.6154.8-56.7171.3-165.1179.45.2115.7
422R40.1Very low37.9Very low234 Ų234151.9 Ų151.988%0.88378%0.782SS**  93.6156.168.1-108.4-165.4169.3-168.2-2.1112.6
423P42.7Very low38Very low87 Ų87152.7 Ų152.757%0.56578%0.782SS**  cis-130.9-153.2-10.932.3-8000112.7
424D38.8Very low38.3Very low139 Ų139153 Ų15374%0.74378%0.784SS**  trans75.6132.6163.3-46-28.9000116.6
425E40.5Very low38.6Very low173 Ų173150.1 Ų150.181%0.80878%0.778SS**  cis-144179.16-124.4173.9-163.300112.1
426Y38Very low38.6Very low212 Ų212151.1 Ų151.183%0.83178%0.775SS**  trans-62.8161.5-176.1-49-96.9000113.5
427L38Very low39.1Very low149 Ų149150.5 Ų150.578%0.7877%0.77SS**  -178.4152.957.4-163.180.9000113.2
428L40.1Very low39.3Very low149 Ų149148 Ų14878%0.7876%0.763SS**  trans71.1136.3154.6-117.171.5000123.9
429E37.8Very low39.2Very low181 Ų181148.4 Ų148.485%0.84676%0.757SS**  trans-77.9172.6-173.6-59.2128.9132.800116.2
430G41.1Very low39.2Very low79 Ų79147.3 Ų147.381%0.81475%0.751SS**  trans179.769.7172.500000115.5
431D38.5Very low39Very low137 Ų137149.8 Ų149.873%0.73376%0.759SS**  trans-68.3156.3174.9-79.7-57000114.1
432N41.5Very low38.9Very low165 Ų165145.5 Ų145.588%0.88275%0.753SS**  -173.7146.6127-101.5-65.7000112.8
433N36.2Very low39Very low143 Ų143141.4 Ų141.477%0.76574%0.744SS**  trans-122.6142.1-176.7-79.4-83.3000112.5
434L41.3Very low38.8Very low161 Ų161146.8 Ų146.884%0.84375%0.753SS**  trans-178115162.4-98.8152.2000106.7
435N35.5Very low39Very low135 Ų135146.5 Ų146.572%0.72275%0.751SS**  cis84.5144.924.3-152.45.3000115.2
436I37.8Very low39.2Very low140 Ų140145 Ų14572%0.71874%0.742SS**  trans77.5146.7179.1-49.8169.8000115.3
437I40.5Very low39.4Very low130 Ų130141.9 Ų141.967%0.66774%0.735SS**  -179.1141.8-51.8-98.3162.3000110
438N39.8Very low39.5Very low135 Ų135141.6 Ų141.672%0.72274%0.739SS**  trans73.4131.7156.5-88-16.7000126.3
439N37.2Very low39.5Very low114 Ų114142.9 Ų142.961%0.6174%0.741SS**  75.8114.4128.4-70.6-21.7000125.3
440N38.7Very low39.6Very low126 Ų126139.3 Ų139.367%0.67474%0.736SS**  50.7114.4119-50-18.9000120.7
441N37.5Very low39.5Very low138 Ų138142.1 Ų142.174%0.73873%0.732SS**  -178.8149.586.7-99.2-62.6000115.2
442N34.9Very low39.5Very low129 Ų129143.2 Ų143.269%0.6974%0.737SS**  trans6.7130.3151.1-55.7-42.4000120.2
443Q42.1Very low39Very low147 Ų147139.3 Ų139.369%0.68772%0.723SS**  -177138.9105-100.6168.887.300116.9
444R39.7Very low39.1Very low200 Ų200143.8 Ų143.876%0.75573%0.729SS**  trans75.2133.1140.3-72173.7-172.81747.2122.6
445N42.3Very low38.8Very low133 Ų133144.7 Ų144.771%0.71173%0.726SS**  trans75.6140.6147.6-58-10000118.2
446K43.6Very low38.7Very low141 Ų141143.9 Ų143.961%0.61372%0.722SS**  cis-162.1157.6-8.7-116.2173.9170.1-780109.6
447E42.5Very low38.5Very low148 Ų148144.8 Ų144.869%0.69272%0.723SS**  trans25138.1145.7-66.2135.9-153.200120
448V41.3Very low38.3Very low142 Ų142148.1 Ų148.186%0.86174%0.736SS**  cis-145.8152.236.8175.60000111.5
449E39Very low38Very low177 Ų177151.4 Ų151.483%0.82774%0.744SS**  trans-89.2160.5-179.6-53.7168.6117.700114.1
450S40.4Very low37.8Very low106 Ų106151.5 Ų151.574%0.74175%0.753SS**  -174.4133.8125.6310000115.4
451N39.6Very low37.7Very low137 Ų137151.8 Ų151.873%0.73376%0.759SS**  trans71.195.1145.9-57.5-18.8000121.9
452I37.3Very low37.5Very low160 Ų160153.8 Ų153.882%0.82176%0.762SS**  55.1138.9102.6-63.3161.4000118.2
453S32.5Very low37.3Very low84 Ų84152 Ų15259%0.58776%0.759SS**  cis178.2147.9-17.5178.40000108.6
454R37.5Very low37Very low236 Ų236152 Ų15289%0.89176%0.764SS**  trans160.2114.3154.7-89.1153.4-157.9-159.46.2107.9
455F36Very low36.7Very low180 Ų180148.3 Ų148.379%0.78976%0.763SS**  48.1139.571.2-79.7-101.9000114.5
456N33.2Very low36.1Very low119 Ų119149.8 Ų149.864%0.63677%0.77SS**  cis-168.3168.3-34-131.833.2000106.7
457E33.5Very low35.7Very low159 Ų159150.4 Ų150.474%0.74378%0.778SS**  trans9.2126.6156-58.3174.2114.400120.9
458Q35.7Very low35Very low200 Ų200148.6 Ų148.694%0.93578%0.782SS**  -157.2138.7129.7-118.6155.678.500113.5
459K34.2Very low34.8Very low203 Ų203146 Ų14688%0.88377%0.771SS**  trans-118.7158.7166.9-79-178.1177175.30108.8
460S31.9Very low34.2Very low117 Ų117145.1 Ų145.182%0.81877%0.771SS**  trans78.1172.4170-156.60000116.2
461V35.9Very low34.1Very low131 Ų131146.4 Ų146.479%0.79477%0.769SS**  trans73.8136.9-166.6-174.10000113.1
462K33.9Very low33.8Very low181 Ų181149.3 Ų149.379%0.78778%0.775SS**  cis-179.6164.5-38-112.9175.2177.2178.90106.2
463S31.3Very low33.7Very low91 Ų91149.2 Ų149.264%0.63678%0.775SS**  trans44.2115.4153580000120.5
464N35.1Very low33.6Very low147 Ų147150 Ų15079%0.78678%0.781SS**  179.8119.3110.2-82-24.8000107.9
465V33.3Very low33.5Very low122 Ų122144.4 Ų144.474%0.73978%0.775SS**  69.8115.560.7-178.40000112.3
466L30.3Very low33.3Very low164 Ų164144.8 Ų144.886%0.85978%0.779SS**  trans-9.9115.9169-64.6163.8000117.2
467I35.3Very low33.4Very low154 Ų154147.9 Ų147.979%0.7979%0.787SS**  trans-130.5116.2152.2-61.5-177.7000108.9S469I467-S469 PolarHBondContact O-N 3.24Å; I467-S469 VanDerWaalsContact O-N 3.15Å
468S28.8Very low33.7Very low111 Ų111146.3 Ų146.378%0.77679%0.791SS**  trans-74.195.6176.4-50.80000110.8
469S35.2Very low33.5Very low88 Ų88143 Ų14362%0.61578%0.783SS**  trans-90.9107.6177.946.90000111.8I467 I471I467-S469 PolarHBondContact O-N 3.24Å; I467-S469 VanDerWaalsContact O-N 3.15Å; S469-I471 VanDerWaalsContact C-N 3.29Å; S469-I471 PolarHBondContact O-N 3.21Å
470N28.5Very low33.3Very low157 Ų157137.4 Ų137.484%0.8478%0.775SS**  trans-70.278.1175-77.6-60.6000111.7K472N470-K472 PolarHBondContact O-N 2.86Å
471I36.8Very low33.6Very low133 Ų133140.4 Ų140.468%0.68278%0.777SS**  trans-74.191.4172.9-56.1179.4000108.8S469 L473S469-I471 VanDerWaalsContact C-N 3.29Å; S469-I471 PolarHBondContact O-N 3.21Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 HydrophobicContact CG2-CD2 4.38Å; I471-L473 HydrophobicContact CG2-CG 4.37Å; I471-L473 PolarHBondContact O-N 2.93Å
472K33.8Very low33.4Very low199 Ų199142.3 Ų142.387%0.86578%0.777SS**  trans-63.992.4165.3-79.7-174.5173.1-178.70109.3N470 S474N470-K472 PolarHBondContact O-N 2.86Å; K472-S474 PolarHBondContact O-N 3.22Å
473L35.1Very low33.6Very low158 Ų158140.3 Ų140.383%0.82777%0.77SS**  trans-63.199.7167.3-74.4170.1000108.8I471I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 HydrophobicContact CG2-CD2 4.38Å; I471-L473 HydrophobicContact CG2-CG 4.37Å; I471-L473 PolarHBondContact O-N 2.93Å
474S30.1Very low33.7Very low100 Ų100143.1 Ų143.170%0.69978%0.776SS**  trans-61.6141.4176.1-171.10000110.2K472 Q476K472-S474 PolarHBondContact O-N 3.22Å; S474-Q476 PolarHBondContact O-N 3.37Å
475P35.1Very low34Very low119 Ų119140.4 Ų140.477%0.77377%0.765SS**  trans-58.8106-178.1-25.234.9000112K477P475-K477 PolarHBondContact O-N 3.38Å
476Q32.8Very low34.4Very low188 Ų188138.9 Ų138.988%0.87975%0.753SS**  trans-69.3104.2177.6-168.117010.900108.4S474S474-Q476 PolarHBondContact O-N 3.37Å
477K35.2Very low35.4Very low184 Ų184135.4 Ų135.480%0.874%0.738SS**PPolyproline II helixtrans-56.4133.2178.8-65.4177.5-179.8176.10109.2P475 V479P475-K477 PolarHBondContact O-N 3.38Å; K477-V479 PolarHBondContact O-N 3.28Å
478P38.8Very low36.3Very low126 Ų126133.2 Ų133.282%0.81873%0.728SS**PPolyproline II helixtrans-60.3131.2172.826.1-33.3000109A480P478-A480 PolarHBondContact O-N 2.88Å
479V32.6Very low38Very low129 Ų129134.2 Ų134.278%0.78272%0.72SS**PPolyproline II helixtrans-64.2134.3173.1175.70000107.9K477 E481K477-V479 PolarHBondContact O-N 3.28Å; V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 3.02Å
480A30.8Very low39.1Very low87 Ų87132.7 Ų132.772%0.71971%0.714SS**  trans-73.389.6176.200000109.6P478 Q482P478-A480 PolarHBondContact O-N 2.88Å; A480-Q482 PolarHBondContact O-N 3.4Å; A480-Q482 VanDerWaalsContact O-N 3.16Å
481E36.5Very low40.9Very low180 Ų180131.1 Ų131.184%0.84170%0.701SS**  trans-58.6117.4170.7-68.9-173152.300109.3V479 Q483V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 3.02Å; E481-Q483 PolarHBondContact O-N 2.85Å
482Q32.4Very low42.6Very low171 Ų171130.1 Ų130.180%0.79970%0.697SS**  trans-74.898.1-176-66.5178.6-0.600108.8A480 I484A480-Q482 PolarHBondContact O-N 3.4Å; A480-Q482 VanDerWaalsContact O-N 3.16Å; Q482-I484 PolarHBondContact O-N 3.5Å
483Q37.4Very low44.4Very low138 Ų138123.3 Ų123.365%0.64568%0.677SS**  trans-65.184.5167.1-76.6-175.9-1.200109.5Q351 E481 V485Q351-Q483 VanDerWaalsContact NE2-NE2 3.19Å; E481-Q483 PolarHBondContact O-N 2.85Å; Q483-V485 HydrophobicContact CB-CG2 4.33Å; Q483-V485 PolarHBondContact O-N 3.08Å
484I34.4Very low46.2Very low150 Ų150123.4 Ų123.477%0.76967%0.668SS**  trans-7272.4161.8-53.2178.6000106.7Q482 N486Q482-I484 PolarHBondContact O-N 3.5Å; I484-N486 PolarHBondContact O-N 3.25Å; I484-N486 VanDerWaalsContact O-N 3.15Å
485V40.8Very low48.3Very low91 Ų91121.1 Ų121.155%0.55265%0.646SS**  trans-63.5114.6163.9176.30000105.9Q483 V487Q483-V485 HydrophobicContact CB-CG2 4.33Å; Q483-V485 PolarHBondContact O-N 3.08Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.94Å
486N43Very low50.1Low89 Ų89121.1 Ų121.148%0.47664%0.636SS.*  trans-67.791.3177.2-16914.2000108.2I484 N488 E489I484-N486 PolarHBondContact O-N 3.25Å; I484-N486 VanDerWaalsContact O-N 3.15Å; N486-N488 PolarHBondContact O-N 3.23Å; N486-N488 VanDerWaalsContact O-N 3.07Å; N486-E489 HydrophobicContact CB-CB 4.31Å; N486-E489 WeakPolarHBondContact O-CB 3.36Å; N486-E489 PolarHBondContact O-N 3Å
487V50.4Low51.9Low92 Ų92118.2 Ų118.256%0.55862%0.622SS**Hα-helixtrans-51.9-39.2-169.1-178.50000111.4V485 E489 A490 E491V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.94Å; V487-E489 PolarHBondContact O-N 3.3Å; V487-A490 PolarHBondContact O-N 3.05Å; V487-E491 HydrophobicContact CG1-CG 4.41Å; V487-E491 PolarHBondContact O-N 3.35Å
488N54.3Low53.8Low108 Ų108115.1 Ų115.158%0.57861%0.609SS**Hα-helixtrans-54.4-35176.5-58-10.4000113.6N486 L492N486-N488 PolarHBondContact O-N 3.23Å; N486-N488 VanDerWaalsContact O-N 3.07Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 WeakPolarHBondContact O-CD1 3.37Å; N488-L492 PolarHBondContact O-N 2.9Å
489E63.5Low55Low131 Ų131117.2 Ų117.261%0.61260%0.6SS**Hα-helixtrans-78.8-39.7-177.8-170.5173177.700111.7N486 V487 L492 A493N486-E489 HydrophobicContact CB-CB 4.31Å; N486-E489 WeakPolarHBondContact O-CB 3.36Å; N486-E489 PolarHBondContact O-N 3Å; V487-E489 PolarHBondContact O-N 3.3Å; E489-L492 PolarHBondContact O-N 2.98Å; E489-A493 WeakPolarHBondContact O-CB 3.43Å; E489-A493 PolarHBondContact O-N 3.04Å
490A59.4Low56.2Low57 Ų57118.2 Ų118.247%0.47160%0.598SS.*Hα-helixtrans-65.1-39.6172.900000111.7V487 Y494V487-A490 PolarHBondContact O-N 3.05Å; A490-Y494 WeakPolarHBondContact O-CB 3.49Å; A490-Y494 PolarHBondContact O-N 2.91Å
491E65.7Low57.2Low123 Ų123118.2 Ų118.258%0.57559%0.586SS**Hα-helixtrans-67.9-39.6172.5-70.5-167149.100112.4V487 A493 Y494 E495V487-E491 HydrophobicContact CG1-CG 4.41Å; V487-E491 PolarHBondContact O-N 3.35Å; E491-A493 PolarHBondContact O-N 3.47Å; E491-Y494 PolarHBondContact O-N 2.92Å; E491-E495 WeakPolarHBondContact O-CB 3.4Å; E491-E495 PolarHBondContact O-N 3.4Å
492L72.5Confident57.5Low113 Ų113114.1 Ų114.159%0.59258%0.575SS**Hα-helixtrans-59.3-46.4173.8-11981.2000111.7N488 E489 E495 Q496N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 WeakPolarHBondContact O-CD1 3.37Å; N488-L492 PolarHBondContact O-N 2.9Å; E489-L492 PolarHBondContact O-N 2.98Å; L492-E495 PolarHBondContact O-N 2.95Å; L492-Q496 WeakPolarHBondContact O-CB 3.42Å; L492-Q496 WeakPolarHBondContact O-CG 3.36Å; L492-Q496 PolarHBondContact O-N 3.22Å
493A72Confident57.9Low56 Ų56116.1 Ų116.146%0.46358%0.575SS.*Hα-helixtrans-63.1-42.5178.800000111.7E489 E491 Q496 H497E489-A493 WeakPolarHBondContact O-CB 3.43Å; E489-A493 PolarHBondContact O-N 3.04Å; E491-A493 PolarHBondContact O-N 3.47Å; A493-Q496 PolarHBondContact O-N 3.43Å; A493-H497 WeakPolarHBondContact O-CB 3.45Å; A493-H497 PolarHBondContact O-N 3.21Å
494Y71.9Confident58.4Low159 Ų159118 Ų11862%0.62458%0.584SS**Hα-helixtrans-63.6-47.3176-179-108.5000112.3A490 E491 H497 K498A490-Y494 WeakPolarHBondContact O-CB 3.49Å; A490-Y494 PolarHBondContact O-N 2.91Å; E491-Y494 PolarHBondContact O-N 2.92Å; Y494-H497 PolarHBondContact O-N 3.25Å; Y494-K498 VanDerWaalsContact O-CB 3.28Å; Y494-K498 WeakPolarHBondContact O-CB 3.45Å; Y494-K498 PolarHBondContact O-N 3.3Å
495E74.6Confident58.8Low53 Ų53120.6 Ų120.625%0.24859%0.59CS.*Hα-helixtrans-69-31177.3-80.9-65.3136.300113E491 L492 K498 R499E491-E495 WeakPolarHBondContact O-CB 3.4Å; E491-E495 PolarHBondContact O-N 3.4Å; L492-E495 PolarHBondContact O-N 2.95Å; E495-K498 WeakPolarHBondContact OE1-CD 3.46Å; E495-K498 WeakPolarHBondContact OE1-CE 3.38Å; E495-K498 IonicContact OE1-NZ 3.55Å; E495-K498 PolarHBondContact OE1-NZ 3.31Å; E495-K498 IonicContact OE2-NZ 3.7Å; E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 3.11Å; E495-R499 IonicContact OE2-CZ 2.75Å; E495-R499 IonicContact OE2-NH2 3.87Å
496Q73.4Confident58.6Low118 Ų118121.7 Ų121.755%0.55160%0.597SS**Hα-helixtrans-64.5-49.3168.3-81.3-168.8-6.500111.4L492 A493 K498 R499 M500L492-Q496 WeakPolarHBondContact O-CB 3.42Å; L492-Q496 WeakPolarHBondContact O-CG 3.36Å; L492-Q496 PolarHBondContact O-N 3.22Å; A493-Q496 PolarHBondContact O-N 3.43Å; Q496-K498 PolarHBondContact O-N 3.38Å; Q496-R499 CarbonylContact O-C 3.59Å; Q496-R499 PolarHBondContact O-N 3.42Å; Q496-R499 VanDerWaalsContact O-N 3.08Å; Q496-M500 WeakPolarHBondContact O-CG 3.44Å; Q496-M500 PolarHBondContact O-N 3.44Å
497H70.8Confident58.4Low127 Ų127124.7 Ų124.759%0.58861%0.612SS**Hα-helixtrans-63.2-29.8-179.4-163-93.1000112.6A493 Y494 N501A493-H497 WeakPolarHBondContact O-CB 3.45Å; A493-H497 PolarHBondContact O-N 3.21Å; Y494-H497 PolarHBondContact O-N 3.25Å; H497-N501 PolarHBondContact O-ND2 3.16Å
498K74.2Confident57.9Low120 Ų120132.6 Ų132.652%0.52263%0.632SS.*Hα-helixtrans-71.3-45.4170.6-172.2-172.5-179.7-164.50112.1Y494 E495 Q496 M500 N501Y494-K498 VanDerWaalsContact O-CB 3.28Å; Y494-K498 WeakPolarHBondContact O-CB 3.45Å; Y494-K498 PolarHBondContact O-N 3.3Å; E495-K498 WeakPolarHBondContact OE1-CD 3.46Å; E495-K498 WeakPolarHBondContact OE1-CE 3.38Å; E495-K498 IonicContact OE1-NZ 3.55Å; E495-K498 PolarHBondContact OE1-NZ 3.31Å; E495-K498 IonicContact OE2-NZ 3.7Å; Q496-K498 PolarHBondContact O-N 3.38Å; K498-M500 PolarHBondContact O-N 2.98Å; K498-N501 PolarHBondContact O-N 3.36Å
499R64.6Low57Low169 Ų169132 Ų13264%0.63864%0.636SS**Hα-helixtrans-67.8-28.6176.2-75.2178.3-172113.35.9113.9E495 Q496 N501 P502E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 3.11Å; E495-R499 IonicContact OE2-CZ 2.75Å; E495-R499 IonicContact OE2-NH2 3.87Å; Q496-R499 CarbonylContact O-C 3.59Å; Q496-R499 PolarHBondContact O-N 3.42Å; Q496-R499 VanDerWaalsContact O-N 3.08Å; R499-N501 VanDerWaalsContact C-N 3.34Å; R499-P502 WeakPolarHBondContact O-CD 3.41Å
500M56.9Low55.6Low151 Ų151133 Ų13374%0.74465%0.646SS**THydrogen-bonded Turntrans-83.2-5176.6-64.9-144.5-64.400114.3Q496 K498 P502Q496-M500 WeakPolarHBondContact O-CG 3.44Å; Q496-M500 PolarHBondContact O-N 3.44Å; K498-M500 PolarHBondContact O-N 2.98Å; M500-P502 WeakPolarHBondContact O-CD 3.49Å
501N52.3Low54.7Low86 Ų86139.2 Ų139.246%0.4667%0.665SS.*  trans-87.74.9-177.9-110.3-81.9000119.6H497 K498 R499 R503H497-N501 PolarHBondContact O-ND2 3.16Å; K498-N501 PolarHBondContact O-N 3.36Å; R499-N501 VanDerWaalsContact C-N 3.34Å; N501-R503 VanDerWaalsContact C-N 3.32Å; N501-R503 PolarHBondContact O-N 3.11Å
502P43.4Very low53.3Low94 Ų94143.5 Ų143.561%0.6168%0.682SS**THydrogen-bonded Turntrans-82.79.3-171.734-36.6000115.7R499 M500R499-P502 WeakPolarHBondContact O-CD 3.41Å; M500-P502 WeakPolarHBondContact O-CD 3.49Å
503R40.9Very low51.5Low213 Ų213143 Ų14380%0.80469%0.687SS**THydrogen-bonded Turntrans-110.7-8.1-170.4-62.4-171.476.5167.62.1117.2N501N501-R503 VanDerWaalsContact C-N 3.32Å; N501-R503 PolarHBondContact O-N 3.11Å
504Q47.1Very low49.9Very low178 Ų178145.8 Ų145.883%0.83270%0.701SS**SBendtrans-105.21.1-173.7-70.5-170-8.100116.4
505K43.7Very low48Very low204 Ų204141.7 Ų141.789%0.88771%0.707SS**SBendtrans-112.13.1-178.1-71-177.7179172.30115.7
506T36.6Very low46.2Very low114 Ų114148.6 Ų148.670%0.69974%0.737SS**SBendtrans-124.815.1-169-29.40000113.9
507L38.9Very low44.3Very low153 Ų153151.6 Ų151.680%0.80175%0.751SS**  trans-120.941-179.5-70.1172.9000113
508R39.2Very low42.9Very low258 Ų258151.9 Ų151.997%0.97476%0.761SS**SBendtrans-131.752.2167.3-74.8-167.5171.6-173.4-1.5111.7
509S35.3Very low41.2Very low95 Ų95154.6 Ų154.666%0.66478%0.776SS**SBendtrans-150162.1167.1-167.80000108.8
510N33.7Very low39.8Very low153 Ų153154.3 Ų154.382%0.81879%0.787SS**  trans64.753.5172-55.3-23.1000117.7
511Q40.1Very low38.7Very low187 Ų187157.5 Ų157.587%0.87479%0.792SS**  trans-126.896.2146.5-79.7-167.7-20.900110.6S513Q511-S513 PolarHBondContact O-N 3.14Å
512K36.6Very low38Very low212 Ų212158.7 Ų158.792%0.92281%0.805SS**  trans-83102.6161.4-76.3177.7175.8175.30107.3
513S36Very low37.7Very low102 Ų102163 Ų16371%0.71382%0.817SS**PPolyproline II helixtrans-66142.9169.4-55.10000109.8Q511Q511-S513 PolarHBondContact O-N 3.14Å
514P38.5Very low37.4Very low116 Ų116159 Ų15975%0.75382%0.816SS**PPolyproline II helixtrans-59.2142.6176.4-2434.7000111.9
515G31.5Very low36.7Very low73 Ų73154.5 Ų154.575%0.75380%0.804SS**PPolyproline II helixtrans-81120.3174.400000110.7
516F35.9Very low36.4Very low198 Ų198154.4 Ų154.487%0.86880%0.804SS**PPolyproline II helixtrans-80.7124.6160.6-80.5-90.7000108.8
517H34.1Very low36.6Very low181 Ų181155.6 Ų155.684%0.83881%0.812SS**PPolyproline II helixtrans-67.3144.2158.6-89.9-110.1000108.9
518T40.6Very low36.5Very low133 Ų133151 Ų15182%0.81680%0.802SS**  trans-136.6130.7158.2-57.50000104.8
519E39.9Very low36.2Very low176 Ų176146 Ų14682%0.82279%0.794SS**  trans-81.8155.7-158.7-60.8176.1139.700112.4Y521E519-Y521 PolarHBondContact O-N 3.2Å
520D34.6Very low36.3Very low164 Ų164152.1 Ų152.188%0.87780%0.804SS**  trans-68.3125175.7-66.5-72000110.6
521Y33.5Very low36.4Very low218 Ų218150.3 Ų150.386%0.85580%0.799SS**  trans-136.9117.7166.1-125.9-87.9000110.9E519 Q523E519-Y521 PolarHBondContact O-N 3.2Å; Y521-Q523 PolarHBondContact O-N 3.46Å
522P37.8Very low36.4Very low110 Ų110152.4 Ų152.471%0.71480%0.8SS**  trans-84.493.7-176.532.8-33.6000110.6T524P522-T524 PolarHBondContact O-N 3.17Å
523Q37.5Very low36.6Very low185 Ų185149 Ų14986%0.86479%0.788SS**  trans-80.286.9-178.6-157.6167.621.800112.3Y521Y521-Q523 PolarHBondContact O-N 3.46Å
524T33.5Very low36.8Very low128 Ų128150.9 Ų150.979%0.78579%0.79SS**  trans-77.5116.2167.552.30000111.1P522P522-T524 PolarHBondContact O-N 3.17Å
525S33.7Very low37Very low85 Ų85154.3 Ų154.359%0.59480%0.796SS**  trans-163.5115.2163.850.60000114.2
526F37.9Very low37.4Very low201 Ų201156.4 Ų156.488%0.88280%0.796SS**  trans40.7111.9143.9-58.8-78.5000120.7G528F526-G528 PolarHBondContact O-N 3.41Å
527T39.4Very low37.5Very low140 Ų140155.5 Ų155.586%0.85979%0.792SS**  trans-60.3112.3136.245.80000108.5
528G36.8Very low38.1Very low57 Ų57153 Ų15359%0.58879%0.791SS**  trans-99119.9177.700000111.7F526F526-G528 PolarHBondContact O-N 3.41Å
529D33.8Very low37.8Very low153 Ų153155.4 Ų155.482%0.81879%0.791SS**  trans-70.7126170.1-60.5-59.5000110.2
530Y36.6Very low37.8Very low222 Ų222153.5 Ų153.587%0.87179%0.792SS**  trans-137.498.7169.8-87.9-78.6000111
531T35.7Very low37.7Very low116 Ų116151.3 Ų151.371%0.71279%0.788SS**  trans-68.1138.1166.5-52.70000110.1
532Y40.7Very low38.2Very low231 Ų231146.2 Ų146.291%0.90678%0.779SS**  trans-141.4148.3158-129.9-94.8000110.2
533E40.8Very low38.3Very low140 Ų140148.1 Ų148.165%0.65478%0.784SS**  trans-104.3170.8-155.7-88.1-72.5-178.300115.3
534N40.5Very low38.6Very low141 Ų141147.1 Ų147.175%0.75478%0.779SS**  trans75.8136172.5-40.1-78.3000114.4
535E41.4Very low38.9Very low188 Ų188147.1 Ų147.188%0.87978%0.779SS**  cis-13917636.7-102.9-158.8154.700114.8
536P41.2Very low39.5Very low117 Ų117152.2 Ų152.276%0.7679%0.79SS**PPolyproline II helixtrans-91.9165.5-152.635.5-38.1000118.5
537K37Very low39.6Very low179 Ų179147 Ų14778%0.77878%0.777SS**PPolyproline II helixtrans-83.5154.8177.7-57.2171.9179.9171.70113.9
538P47.5Very low39.6Very low128 Ų128147.8 Ų147.883%0.83177%0.77SS**PPolyproline II helixtrans-93.3156.5139.134.3-30000112.3
539F34.9Very low40Very low184 Ų184155.4 Ų155.481%0.80779%0.787SS**  trans-108.6138.8-175.9-96.3-104.9000113.5
540T39Very low40.3Very low136 Ų136153.9 Ų153.983%0.83478%0.778SS**  trans-164.1118.4141.441.10000106.6
541C33.4Very low40.3Very low118 Ų118152 Ų15280%0.79778%0.775SS**  56123.878.7-132.50000111.9
542T43.7Very low40.5Very low111 Ų111151.9 Ų151.968%0.68178%0.776SS**  cis-145.5163.127.948.20000113.6
543D39.9Very low40.1Very low151 Ų151146 Ų14681%0.80777%0.769SS**  trans37.9149.3145.2-53.7-37.8000123
544E42.4Very low39.9Very low163 Ų163150 Ų15076%0.76278%0.78SS**  cis-126.6170.27.5-73.3-169.2166.400112.9
545V41.2Very low39.7Very low129 Ų129147.8 Ų147.878%0.78277%0.767SS**  trans-109.2126.3178.2174.20000112.4
546K45.6Very low39.7Very low191 Ų191145.2 Ų145.283%0.8377%0.767SS**  trans-153.894.3164.9-109.8164.1-167.4149.90113.4
547P39.3Very low39.6Very low92 Ų92147.6 Ų147.660%0.59777%0.766SS**  trans-96.7-179.3172.533.9-28000113.1
548H40.1Very low39.6Very low157 Ų157143.9 Ų143.973%0.72776%0.762SS**  trans71.3102.1173.3-54.7-75.2000118.9
549K45.4Very low39.1Very low217 Ų217148.1 Ų148.194%0.94377%0.768SS**  -138.9142.5111.3-106.8172.3-176.8177.20109.4
550L40.1Very low39.1Very low120 Ų120143.9 Ų143.963%0.62876%0.761SS**  trans-126.1156.1-169.8-101.3158.1000110.2
551F35.8Very low38.9Very low182 Ų182143.8 Ų143.880%0.79876%0.762SS**  trans70.3156.2168.4-52.8-58.2000117.9
552P41.2Very low39Very low114 Ų114142.9 Ų142.974%0.7475%0.754SS**  cis-133.7166.4-31.131.9-14000115.2
553S30.9Very low38.6Very low107 Ų107143.8 Ų143.875%0.74875%0.753SS**  trans-33.6130.1169.2174.60000117.1
554Y36.6Very low38.4Very low226 Ų226146.7 Ų146.789%0.88675%0.753SS**  trans-143.186.7152.8-105.2-82000113.2
555N38.2Very low37.8Very low93 Ų93147.3 Ų147.350%0.49776%0.761SS.*  trans35.1106.8137.2177.366.1000120.6K557N555-K557 PolarHBondContact O-N 3Å; N555-K557 WeakPolarHBondContact OD1-CG 3.39Å
556P40.6Very low37.6Very low134 Ų134145.5 Ų145.587%0.8775%0.754SS**  trans-87.395.4156.333.8-29.5000111.3
557K38.5Very low37Very low168 Ų168147.9 Ų147.973%0.7376%0.758SS**  trans-81.5161.2164.8-94.8171.6-173.1177.90110.8N555N555-K557 PolarHBondContact O-N 3Å; N555-K557 WeakPolarHBondContact OD1-CG 3.39Å
558S36.9Very low36.9Very low100 Ų100150.4 Ų150.470%0.69976%0.762SS**  trans56.289.3176.659.40000117.1
559F38Very low36.7Very low217 Ų217152.3 Ų152.395%0.95277%0.768SS**  -148.2110.6112.2-95.8-69.8000109P561F559-P561 WeakPolarHBondContact O-CD 3.28Å
560S33.7Very low36.2Very low95 Ų95149.7 Ų149.766%0.66476%0.761SS**  trans-92.2122.2-173.3-51.70000111.5T562S560-T562 WeakPolarHBondContact CB-OG1 3.47Å; S560-T562 PolarHBondContact O-N 3.22Å
561P35.6Very low36.1Very low134 Ų134150.2 Ų150.287%0.8776%0.764SS**  trans-7861.6168.333.6-34.6000110.1F559 I563F559-P561 WeakPolarHBondContact O-CD 3.28Å; P561-I563 PolarHBondContact O-N 3.25Å; P561-I563 VanDerWaalsContact O-N 3.13Å
562T35.1Very low36.2Very low100 Ų100148.1 Ų148.161%0.61377%0.767SS**  trans-76.6101-172.2-58.40000111.6S560S560-T562 WeakPolarHBondContact CB-OG1 3.47Å; S560-T562 PolarHBondContact O-N 3.22Å
563I35.7Very low36Very low130 Ų130146.6 Ų146.667%0.66776%0.759SS**  trans59.7118.4142.9-55.9172000114.7P561P561-I563 PolarHBondContact O-N 3.25Å; P561-I563 VanDerWaalsContact O-N 3.13Å
564R35.5Very low36.4Very low212 Ų212149.4 Ų149.480%0.877%0.765SS**  -164.4128.158.7-158.3164-89164.6-8.1111.9S566R564-S566 VanDerWaalsContact C-N 3.26Å; R564-S566 PolarHBondContact O-N 3.35Å
565N30.5Very low36.4Very low175 Ų175149.8 Ų149.894%0.93677%0.765SS**  trans-78.374.9163.5-92.5-31.3000109.9R567N565-R567 PolarHBondContact O-N 2.58Å
566S37.5Very low36.1Very low92 Ų92154 Ų15464%0.64378%0.784SS**  trans-74.287.7174.951.20000110.8R564 E568R564-S566 VanDerWaalsContact C-N 3.26Å; R564-S566 PolarHBondContact O-N 3.35Å; S566-E568 PolarHBondContact O-N 2.92Å
567R31.4Very low36Very low241 Ų241158.7 Ų158.791%0.90979%0.785SS**  trans-70.953.5178.7-166-171.6-170.7-178.65.1112.2N565N565-R567 PolarHBondContact O-N 2.58Å
568E38.5Very low35.8Very low145 Ų145158.1 Ų158.168%0.67879%0.787SS**  trans-90.4117.1-169-163.9159.7-108.500112.4S566 M570S566-E568 PolarHBondContact O-N 2.92Å; E568-M570 PolarHBondContact O-N 2.99Å
569K34.4Very low35.9Very low197 Ų197162 Ų16286%0.85780%0.796SS**  trans-81.177.3-178.1-63.8176.1-178.4173.30110.5N571K569-N571 PolarHBondContact O-N 3.36Å
570M35.8Very low35.9Very low161 Ų161156.7 Ų156.779%0.79379%0.786SS**  trans-62.2127.7176.6-74.2-161173.200111.7E568E568-M570 PolarHBondContact O-N 2.99Å
571N37.2Very low36.3Very low131 Ų131160.5 Ų160.570%0.70180%0.795SS**  trans-80.5130.7-160.3-170.75.4000113.1K569 S573K569-N571 PolarHBondContact O-N 3.36Å; N571-S573 VanDerWaalsContact C-N 3.3Å; N571-S573 PolarHBondContact O-N 3.26Å
572T38Very low36.9Very low139 Ų139162.5 Ų162.585%0.85379%0.793SS**THydrogen-bonded Turntrans-7769.217951.50000112.6
573S37.8Very low37.2Very low82 Ų82166.8 Ų166.857%0.57381%0.806SS**THydrogen-bonded Turntrans-142.1-29.3173.9-67.30000116.4N571 R575N571-S573 VanDerWaalsContact C-N 3.3Å; N571-S573 PolarHBondContact O-N 3.26Å; S573-R575 PolarHBondContact O-N 3.46Å
574N39Very low37.6Very low165 Ų165166.9 Ų166.988%0.88281%0.808SS**SBendtrans-102.737.4-163.8-77.1-8000116.1
575R37.2Very low38Very low235 Ų235165.5 Ų165.589%0.88781%0.81SS**  trans-132.851.6171.4-156.2176.4-178.9175.10.9113.7S573S573-R575 PolarHBondContact O-N 3.46Å
576M32Very low38.9Very low181 Ų181163.6 Ų163.689%0.89280%0.8SS**  trans-120.281.8167.4-70.9-144.9-55.800112.3
577R38.6Very low39.3Very low233 Ų233167.1 Ų167.188%0.87981%0.812SS**SBendtrans-167.8158.9154.7-121.7171.3173.1161.2-3109.6
578M34.5Very low40.2Very low156 Ų156163.2 Ų163.277%0.76881%0.809SS**  trans63.866.1172.1-43.4-49.1-70.200117.2
579M38.2Very low40.7Very low181 Ų181160.4 Ų160.489%0.89281%0.811SS**  trans-148.557.2149.1-80.4-158.3176.800110.8
580S37.2Very low41.3Very low106 Ų106159.1 Ų159.174%0.74181%0.813SS**  trans-9392.5158.349.70000107.4
581M43.5Very low41.7Very low174 Ų174158.5 Ų158.586%0.85781%0.813SS**  trans-92.5109.2162.7-61.9-164.1-49.300106.4
582E48.3Very low42.1Very low176 Ų176160.3 Ų160.382%0.82282%0.823SS**  trans-73.4138.6163.6-71174.6118.200107.8N584E582-N584 VanDerWaalsContact C-N 3.27Å; E582-N584 PolarHBondContact O-N 3.47Å
583E39.7Very low42.2Very low190 Ų190159.5 Ų159.589%0.88881%0.813SS**  trans-80.174.6-175.6-66.8175.4148.500110E585E583-E585 PolarHBondContact O-N 3.24Å
584N44.6Very low42.1Very low133 Ų133162 Ų16271%0.71182%0.82SS**  trans-8386.8159.1-7210.5000107.8E582 D586E582-N584 VanDerWaalsContact C-N 3.27Å; E582-N584 PolarHBondContact O-N 3.47Å; N584-D586 PolarHBondContact O-N 3.25Å
585E44.3Very low42.1Very low183 Ų183159.4 Ų159.486%0.85581%0.806SS**  trans-78.896.4157-66.3-174.2151.700106E583E583-E585 PolarHBondContact O-N 3.24Å
586D48.4Very low42Very low134 Ų134154.2 Ų154.272%0.71780%0.796SS**  trans-66.1131.7173.2-70.7-54.8000109.1N584 D588N584-D586 PolarHBondContact O-N 3.25Å; D586-D588 PolarHBondContact O-N 3.47Å
587D47.8Very low42.4Very low166 Ų166152.5 Ų152.589%0.88879%0.79SS**  trans-71.995.7179.5-78-58.9000110.5A589D587-A589 PolarHBondContact O-N 3.46Å
588D48.9Very low42.2Very low159 Ų159150.3 Ų150.385%0.8578%0.783SS**  trans-62.691.7167.4-81.8-39.1000110.1D586D586-D588 PolarHBondContact O-N 3.47Å
589A49.4Very low42.4Very low87 Ų87152.6 Ų152.672%0.71979%0.785SS**  trans-90.399175.700000111D587 D591D587-A589 PolarHBondContact O-N 3.46Å; A589-D591 PolarHBondContact O-N 3.17Å
590D47.2Very low42.2Very low169 Ų169149.2 Ų149.290%0.90477%0.769SS**  trans-63.695.3170.5-70.4-46000111
591D44.5Very low42.2Very low148 Ų148153.3 Ų153.379%0.79178%0.777SS**  trans-111.363.3178.1-163.511.7000112.1A589 N593A589-D591 PolarHBondContact O-N 3.17Å; D591-N593 PolarHBondContact O-N 2.99Å
592D44.9Very low41.8Very low169 Ų169152.4 Ų152.490%0.90477%0.771SS**  trans-83.958.5-174.3-128.3-1000113
593N39.5Very low41.4Very low122 Ų122151.1 Ų151.165%0.65277%0.769SS**  trans23.5116.5135.6177.716.7000118.7D591D591-N593 PolarHBondContact O-N 2.99Å
594N37.3Very low41.4Very low136 Ų136148.3 Ų148.373%0.72776%0.76SS**  trans-158.5117.6141.5-121.4-79.1000116.9
595N37.4Very low41Very low110 Ų110148.5 Ų148.559%0.58876%0.762SS**  trans64.7122.5137.9-89-27.6000123.8
596N35.4Very low40.6Very low125 Ų125149 Ų14967%0.66876%0.757SS**  trans68125.3136-53.2-27.1000119
597N40.7Very low39.9Very low145 Ų145150.3 Ų150.378%0.77576%0.759SS**  cis-165.2166.546.8-128.4-17.8000115.8
598Y33.8Very low39.1Very low187 Ų187145.9 Ų145.973%0.73375%0.752SS**  trans-44.9139.3176-78.2-109.6000118.3I600Y598-I600 HydrophobicContact CD1-CD1 4.23Å
599Y39.1Very low38.5Very low205 Ų205147.1 Ų147.180%0.80475%0.753SS**  179.3107.5107-113.9-100.5000109
600I34.2Very low37.6Very low109 Ų109150.2 Ų150.256%0.55976%0.757SS**  54.7105.994.6-56.8166.3000114.1Y598Y598-I600 HydrophobicContact CD1-CD1 4.23Å
601Q38.4Very low37.1Very low192 Ų192147.5 Ų147.590%0.89775%0.747SS**  -147.5142.7119.9-164159.215.100109.7
602E34.2Very low36.4Very low156 Ų156151 Ų15173%0.72975%0.751SS**  trans-91.1158.1-170.4-64.4155.9144.900112.1
603N39Very low35.9Very low148 Ų148151.5 Ų151.579%0.79175%0.747SS**  trans176.6101132.4-88.6-5.8000111
604D39.7Very low35.5Very low131 Ų131152.4 Ų152.470%0.70175%0.752SS**  trans43.7104134.4-48.8-20.2000119.7
605N37Very low35.3Very low138 Ų138151.7 Ų151.774%0.73875%0.753SS**  -172.8148.982.2-94.7-73.5000113.6
606Y35.6Very low35Very low193 Ų193152 Ų15276%0.75776%0.764SS**  trans3.8148.3152.5-72.5-106.3000121.3
607Q33.5Very low34.7Very low162 Ų162156.5 Ų156.576%0.75777%0.773SS**  cis-174.8118.6-24.3-141.1-169.672.800108.9
608G32.3Very low34.6Very low73 Ų73157.6 Ų157.675%0.75378%0.778SS**  trans62.7170.3163.800000119
609Q35.5Very low34.3Very low185 Ų185159 Ų15986%0.86478%0.782SS**  cis-143.8152.2-32.4-90.4-1528.500109.3
610N30.3Very low34.1Very low152 Ų152160.8 Ų160.881%0.81379%0.787SS**  trans-99.1134.9169.8-81.1-44.5000110.2
611T36.1Very low34.2Very low112 Ų112161.5 Ų161.569%0.68779%0.792SS**  trans-134.3108.3164.1-53.10000110.4
612Y30.1Very low33.8Very low220 Ų220157.7 Ų157.786%0.86379%0.787SS**  trans-79.3135.3164.4-85.7-102.1000109.4
613H36Very low34.1Very low181 Ų181155.6 Ų155.684%0.83879%0.789SS**  trans-130.4131.8155.5-97.1-73.3000111.6
614N29.4Very low33.9Very low141 Ų141155.6 Ų155.675%0.75479%0.789SS**  trans-99136.3-177.9179.32.1000109.4
615T33.2Very low33.6Very low121 Ų121155.1 Ų155.174%0.74279%0.793SS**  trans164.6129.4131.235.70000110.2
616S31.5Very low33.7Very low117 Ų117154.7 Ų154.782%0.81880%0.796SS**  trans-139.397.3164.755.50000111.1
617Y29.8Very low33.7Very low219 Ų219153 Ų15386%0.85980%0.798SS**  trans-120.5100.6166.4-81.3-82.3000108.4
618L37.9Very low33.7Very low168 Ų168150.8 Ų150.888%0.8880%0.801SS**  trans-170.880.9147.8-105.2165.6000112.6W620L618-W620 PolarHBondContact O-N 3.11Å
619R28.4Very low34.1Very low216 Ų216155.8 Ų155.882%0.81581%0.805SS**  trans-16.5120.9147.8172.4-161.7-176.4-154.35.5114.9
620W34.7Very low34.5Very low243 Ų243155.6 Ų155.692%0.9280%0.801SS**  trans-140.2152.5150.8-121.878.2000111.3L618L618-W620 PolarHBondContact O-N 3.11Å
621N35.4Very low34.8Very low124 Ų124158.1 Ų158.166%0.66380%0.8SS**  trans-90.9142.6-172-66.3-56.9000112
622S29.9Very low35Very low112 Ų112158 Ų15878%0.78380%0.801SS**  trans-75.2132.3164.8-176.90000111.1
623S41Very low35.2Very low111 Ų111156.9 Ų156.978%0.77680%0.797SS**  trans-131.8137.6162.4-720000107
624N34.8Very low35.4Very low149 Ų149154.9 Ų154.980%0.79779%0.793SS**  trans-59.4143.1-164.9-79.1-20.3000114.3
625P33.6Very low35.9Very low120 Ų120155.3 Ų155.378%0.77979%0.793SS**  trans-75.4129.7168.931.9-32.8000110.3
626T37.9Very low36Very low130 Ų130154.7 Ų154.780%0.79879%0.794SS**  trans-142.5104.3159.6-54.40000109.1S628T626-S628 PolarHBondContact O-N 3.26Å
627I36.3Very low36.4Very low157 Ų157153.8 Ų153.881%0.80579%0.787SS**  trans-8.9113.8169.5-59.4166.1000114.6Q629I627-Q629 HydrophobicContact CG2-CG 4.33Å
628S33.6Very low37Very low115 Ų115149.8 Ų149.880%0.80479%0.786SS**  trans-120.2112.6159-178.30000108.1T626T626-S628 PolarHBondContact O-N 3.26Å
629Q40.2Very low37Very low179 Ų179146.1 Ų146.184%0.83677%0.774SS**  trans-76.6143.8174.8-71.7-171.9-1300110.3I627I627-Q629 HydrophobicContact CG2-CG 4.33Å
630K44.8Very low37.6Very low181 Ų181146.4 Ų146.479%0.78778%0.775SS**  trans-104.1105.2175.5-91.9-169.6172.6-176.30111.3
631Y37Very low38Very low204 Ų204144 Ų14480%0.877%0.771SS**  trans68.5164.3149.9-68.6-69.6000116.7
632P39.7Very low38.1Very low109 Ų109143.2 Ų143.271%0.70877%0.773SS**  cis-131.6154.315.740.9-24.1000119.5
633Y35Very low38.3Very low198 Ų198147.4 Ų147.478%0.77677%0.773SS**  trans69.1145.1143.7-94.4-112.1000122.6
634N38.6Very low38Very low139 Ų139151.3 Ų151.374%0.74377%0.772SS**  trans70.5139.6155.6-73.1-13.4000118
635I39.9Very low38.2Very low149 Ų149151 Ų15176%0.76477%0.771SS**  cis-141.9144.34.8-36.5161.8000111.5
636S36Very low38.4Very low108 Ų108153.2 Ų153.276%0.75578%0.776SS**  trans72151.9145.5-90.30000125.4
637S40.2Very low38.5Very low98 Ų98151.4 Ų151.469%0.68577%0.774SS**  trans67.996.4157.2-56.90000119.3
638T43.2Very low38.8Very low135 Ų135152.7 Ų152.783%0.82878%0.779SS**  68.313866.970.90000115.1
639S38Very low39Very low91 Ų91152.4 Ų152.464%0.63678%0.777SS**  cis-171.4154-15.7-174.30000110.2
640R40.6Very low39.1Very low222 Ų222152.4 Ų152.484%0.83878%0.777SS**  trans71.9151.5170-56.6147.9-172.3-139.60.6115.7
641K41.8Very low38.8Very low192 Ų192149.4 Ų149.484%0.83577%0.773SS**  cis-160.6156.2-16.6-111.8-179178.8-170.90109.1
642P37.9Very low39Very low108 Ų108144.8 Ų144.870%0.70177%0.767SS**  trans-99.4-178.717738.6-35.2000115.1
643Y33.6Very low38.8Very low201 Ų201145.5 Ų145.579%0.78877%0.769SS**  trans73133-179.5-77.2-106.1000115.2
644Y36.5Very low39Very low192 Ų192144.2 Ų144.275%0.75377%0.77SS**  -168.3161.255.3-119.8-66.1000114.8
645N39.1Very low38.9Very low144 Ų144143 Ų14377%0.7777%0.768SS**  trans65.3130.8151.3-77.2-16.2000123.7
646D36.3Very low38.8Very low165 Ų165141.1 Ų141.188%0.88276%0.764SS**  trans-72.8146152.5-58.3-83.9000112.6
647A41.2Very low38.7Very low92 Ų92142.7 Ų142.776%0.7676%0.764SS**  trans-163152.8157.900000110.6
648M40.9Very low38.7Very low185 Ų185144.2 Ų144.291%0.91176%0.763SS**  trans63108.7-179.8-57.3-177.6176.100114.2
649S38.7Very low38.5Very low108 Ų108145.7 Ų145.776%0.75576%0.761SS**  cis66.5137.717.9-160.70000115.9
650Q41.9Very low38.6Very low179 Ų179148 Ų14884%0.83677%0.766SS**  trans79.3144.6176.8-59.1-166.570.600117.9
651V39.9Very low38.5Very low118 Ų118142.8 Ų142.872%0.71576%0.759SS**  cis-165.8167.7-30.796.90000109.9
652T39.3Very low38.4Very low107 Ų107138.6 Ų138.666%0.65675%0.75SS**  trans63.6132.617626.40000116.1
653T37.2Very low38.6Very low124 Ų124142.4 Ų142.476%0.76176%0.755SS**  cis79.6136.919.4-37.50000115
654Q37.6Very low39Very low171 Ų171142 Ų14280%0.79976%0.757SS**  trans78.9152.1-179.1-56.4-174.747.300115.8
655T37Very low39.4Very low114 Ų114140 Ų14070%0.69976%0.76SS**  -163.7171.5-58.7120000108.3
656T37.5Very low39.6Very low110 Ų110138.8 Ų138.868%0.67576%0.76SS**  trans60.1106.9159.445.60000120
657N35.3Very low39.9Very low140 Ų140139.2 Ų139.275%0.74976%0.761SS**  96.4138.1120.5-64.5-2.3000122
658L39.2Very low40.1Very low130 Ų130143 Ų14368%0.68177%0.768SS**  trans68130.4153.6-95.960.1000119.9
659E39.7Very low40Very low167 Ų167139.3 Ų139.378%0.7876%0.76SS**  trans61.9134.4142.7-72.3145.9-15900119.1
660D38.8Very low40Very low139 Ų139140.7 Ų140.774%0.74376%0.764SS**  cis-160.6-162.9-8-163.2-6.7000108.5
661T39.1Very low40Very low112 Ų112140.4 Ų140.469%0.68776%0.76SS**  trans95.280.6162.473.20000119.1
662T39.2Very low40Very low105 Ų105140.2 Ų140.264%0.64476%0.764SS**  47.3122.5127.169.70000120.6
663K42.5Very low40.2Very low187 Ų187143.8 Ų143.881%0.81377%0.771SS**  171.3140.4107.5-91.8148.3-166.8164.20113.9
664K42.4Very low40.4Very low192 Ų192143 Ų14384%0.83577%0.77SS**  trans74.284.2164.2-59.4178.9-173.8-177.20118.7
665N44.7Very low41Very low152 Ų152142.3 Ų142.381%0.81377%0.772SS**  35.8152.3108-60.18.3000120.7
666P42.6Very low41.7Very low117 Ų117144.1 Ų144.176%0.7678%0.777SS**  cis-138.6148-31.836.4-19.9000113.7
667L42.4Very low42.1Very low174 Ų174145.2 Ų145.291%0.91178%0.783SS**SBendtrans-103.8143.2161.1-79172.9000110.9S669L667-S669 PolarHBondContact O-N 3.35Å
668L46.6Very low42.9Very low173 Ų173143.7 Ų143.791%0.90678%0.781SS**  trans-37.2111.9-173.7-68.1155.7000114.3T670L668-T670 PolarHBondContact O-N 2.95Å
669S37.6Very low42.9Very low106 Ų106148.3 Ų148.374%0.74179%0.789SS**  trans-76.6114.6171.3-179.80000110.3L667 K671L667-S669 PolarHBondContact O-N 3.35Å; S669-K671 VanDerWaalsContact C-N 3.33Å; S669-K671 PolarHBondContact O-N 3.17Å
670T39.7Very low43.2Very low137 Ų137150 Ų15084%0.8479%0.794SS**  trans-74.683.7168.451.10000109.8L668 S672L668-T670 PolarHBondContact O-N 2.95Å; T670-S672 PolarHBondContact O-N 2.91Å
671K41.4Very low43.7Very low173 Ų173149.9 Ų149.975%0.75279%0.794SS**  trans-68.9117.3165.2-85.7-168171.7-174.10109.5S669 F673S669-K671 VanDerWaalsContact C-N 3.33Å; S669-K671 PolarHBondContact O-N 3.17Å; K671-F673 WeakPolarHBondContact O-CE1 3.45Å
672S41Very low44.1Very low115 Ų115152.7 Ų152.780%0.80480%0.799SS**  trans-62136.8164.738.70000110.4T670T670-S672 PolarHBondContact O-N 2.91Å
673F42Very low44.3Very low182 Ų182153.1 Ų153.180%0.79880%0.803SS**  trans-114.6105.3163.114.4-92.4000106.9K671 L675K671-F673 WeakPolarHBondContact O-CE1 3.45Å; F673-L675 PolarHBondContact O-N 3.24Å
674S42.7Very low44.2Very low107 Ų107149.4 Ų149.475%0.74879%0.793SS**  trans-66.2125.3165.3-57.20000108
675L50.3Low44.1Very low157 Ų157146.6 Ų146.682%0.82279%0.787SS**  trans-103.4110.1163.8-75.1170.7000106.9F673F673-L675 PolarHBondContact O-N 3.24Å
676D50.6Low43.9Very low152 Ų152143.8 Ų143.881%0.81378%0.779SS**  trans-61.2136.1172.7-70.2-54.8000109.8P678D676-P678 WeakPolarHBondContact O-CD 3.49Å
677V45.5Very low44Very low133 Ų133144.5 Ų144.581%0.80678%0.777SS**  trans-91.6112.6175.7177.90000108.2R679V677-R679 PolarHBondContact O-N 2.81Å
678P52.7Low44Very low108 Ų108143.5 Ų143.570%0.70177%0.771SS**  trans-67.8124.3174.2-1631.5000109.4D676D676-P678 WeakPolarHBondContact O-CD 3.49Å
679R40.4Very low43.8Very low227 Ų227142.4 Ų142.486%0.85777%0.772SS**  trans-68.6138.5157.1-75.8-177.5174.2171.6-2.9108.2V677V677-R679 PolarHBondContact O-N 2.81Å
680F45.9Very low43.9Very low201 Ų201140.3 Ų140.388%0.88277%0.767SS**  trans-124.9116.4164.6-115.7-86000108
681D49.6Very low44Very low137 Ų137139.9 Ų139.973%0.73377%0.77SS**  trans-85.2179.8174.7-68.9-62.5000111
682Q46.1Very low43.8Very low172 Ų172135.2 Ų135.280%0.80477%0.771SS**  trans-63.8159.7-168.1-56.2172.6-79.500114.3
683P42.9Very low43.6Very low113 Ų113133.4 Ų133.473%0.73477%0.77SS**  -129.5155.997.941.3-34.1000111.5
684N40.6Very low43.4Very low110 Ų110130.6 Ų130.659%0.58877%0.773SS**  56.2130.959.5-75.352.5000111.9
685D40.3Very low43.4Very low133 Ų133131.2 Ų131.271%0.71178%0.777SS**  cis-158.1177.710.5-119.4-39.6000113
686S41.9Very low43.2Very low93 Ų93130.1 Ų130.165%0.6578%0.779SS**  trans102.7134.9144.7830000122
687N43.4Very low42.6Very low132 Ų132126.7 Ų126.771%0.70678%0.78SS**  trans64.8106.7153-52.9-32.8000118.5
688L42Very low42.2Very low152 Ų152131.6 Ų131.680%0.79678%0.784SS**  87.114862.3-76168.3000114.5
689T42.8Very low41.6Very low150 Ų150138 Ų13892%0.9280%0.796SS**  trans71.8141.3-169.275.70000114.9
690G39.5Very low41.6Very low62 Ų62132.1 Ų132.164%0.63979%0.789SS**  cis174.2144.8-10.900000112.8
691S42Very low41.3Very low129 Ų129131.8 Ų131.890%0.90279%0.791SS**  trans62.9154.2-176.773.70000115.3
692G38.8Very low40.7Very low75 Ų75127.9 Ų127.977%0.77378%0.783SS**  cis100.61189.600000111.4
693G34.8Very low40.4Very low76 Ų76130 Ų13078%0.78479%0.789SS**  cis128.692.83.500000111.2
694S39.6Very low40.3Very low124 Ų124135.3 Ų135.387%0.86780%0.795SS**  trans-178.1145.9163.7-850000112
695S41.3Very low40.1Very low119 Ų119139.2 Ų139.283%0.83281%0.807SS**  trans-113.7148.1156.8-52.70000108.4
696P45.9Very low40Very low134 Ų134138.4 Ų138.487%0.8781%0.811SS**  -148.7168.7119.538.3-23.7000114.2
697G37.7Very low39.6Very low80 Ų80139.2 Ų139.283%0.82582%0.817SS**  trans156.599.3165.700000113.8
698R38.7Very low39.4Very low236 Ų236139.3 Ų139.389%0.89182%0.822SS**  trans-99.4134.4166.9-67.5-177.7177.2-157.70.8109.5
699Y40.5Very low39.3Very low243 Ų243138.6 Ų138.695%0.95382%0.824SS**  trans-139.4154145.1-87.9-74.4000109.3
700S38.9Very low39.2Very low103 Ų103139.7 Ų139.772%0.7282%0.816SS**  trans-126.6-178.5-166490000111.3
701E40.4Very low39Very low195 Ų195143.9 Ų143.991%0.91182%0.819SS**  trans77.7136.9161.6-152.4159.2-134.600115.8
702G35.8Very low38.8Very low54 Ų54143.9 Ų143.956%0.55780%0.804SS**  cis160.9110.4-13.900000113.6
703F41.5Very low38.7Very low216 Ų216149.4 Ų149.495%0.94780%0.803SS**  trans-139.8136.7169.8-79.3-74.7000112.5
704R39.8Very low38.7Very low225 Ų225153.5 Ų153.585%0.84981%0.806SS**  trans-138.8140.9177.6-77-167-170.6-126.317.3111.5
705K37.6Very low38.7Very low192 Ų192153 Ų15384%0.83580%0.8SS**  trans61.6108.5149-66.5176.5173.7-1750120.6
706S37.2Very low38.7Very low116 Ų116153 Ų15381%0.81180%0.795SS**  trans-153.2125.8132.250.70000107.1
707S33.3Very low38.1Very low110 Ų110158.4 Ų158.477%0.76980%0.798SS**  cis82.314931-1580000114.5
708V39.7Very low38.2Very low135 Ų135161.2 Ų161.282%0.81880%0.799SS**  trans67.7137.8-168.7-144.90000111.2
709V38.9Very low38.1Very low137 Ų137154.4 Ų154.483%0.8379%0.787SS**  cis-128.9162.123.7-169.40000112.2
710K40.4Very low37.9Very low172 Ų172149 Ų14975%0.74878%0.782SS**  trans-98.7-179.1179.4-70.7177.1177.9177.20113
711H36.7Very low37.7Very low151 Ų151148.4 Ų148.470%0.69978%0.778SS**  trans81.9142.3162.9-54-82.4000115.4
712Q37.9Very low37.4Very low129 Ų129144.8 Ų144.860%0.60378%0.775SS**  cis-159.8167.5-4-135.4160.6-23.300113.1
713Y36.6Very low37.3Very low191 Ų191151.8 Ų151.875%0.74979%0.79SS**  trans62.3111.3163-61.9-62.9000120.9
714L34.4Very low37Very low161 Ų161146 Ų14684%0.84378%0.776SS**  trans-80.3150.8143.2-70.6166.9000109.6
715P39.8Very low37Very low114 Ų114139.9 Ų139.974%0.7477%0.766SS**  -126.1126.2115.711.77.3000110.5
716T40.5Very low37Very low120 Ų120142.4 Ų142.474%0.73677%0.77SS**  71.9108.286.2-55.80000113.3
717R35Very low37.3Very low247 Ų247142.4 Ų142.493%0.93276%0.759SS**  trans-10.6117.8169-62.2175.7176.3179.9-1.9116.5
718V39.9Very low37.8Very low139 Ų139143.2 Ų143.284%0.84275%0.754SS**  trans-126.4127.1155.8-174.60000108.6
719S34.6Very low38.2Very low92 Ų92141.6 Ų141.664%0.64374%0.741SS**  trans-72.6141-179.4-58.50000111.5S721S719-S721 PolarHBondContact O-N 3.06Å
720P38.3Very low38.7Very low129 Ų129138 Ų13884%0.83872%0.722SS**  trans-7955.6179.433.8-36.9000112.9
721S32.8Very low39.2Very low91 Ų91138.1 Ų138.164%0.63672%0.718SS**  trans-91137.9165.749.90000110.1S719S719-S721 PolarHBondContact O-N 3.06Å
722S34.1Very low39.9Very low120 Ų120135.7 Ų135.784%0.83971%0.705SS**  trans68.836.4176.970.10000118.3S724S722-S724 PolarHBondContact O-N 2.94Å
723F35.3Very low40.9Very low200 Ų200135.4 Ų135.488%0.87770%0.702SS**  trans-70.991.9161.6-128.9-81.1000110.7
724S34.2Very low42Very low95 Ų95133.3 Ų133.366%0.66470%0.697SS**  trans-67.8122.7-176.9-172.20000111.1S722 R726S722-S724 PolarHBondContact O-N 2.94Å; S724-R726 PolarHBondContact O-N 3.14Å
725P40.1Very low43.6Very low96 Ų96130.8 Ų130.862%0.62369%0.688SS**  trans-82.654.2-164.734-38.1000114.3M727P725-M727 PolarHBondContact O-N 2.99Å
726R38.5Very low44.9Very low246 Ų246132 Ų13293%0.92868%0.682SS**  trans-71.253.3163.5-89.8-173.6164.8177.3-4111.6S724S724-R726 PolarHBondContact O-N 3.14Å
727M43.4Very low46.3Very low116 Ų116130.2 Ų130.257%0.57167%0.671SS**  trans-99115.1167.1-69.4-178.774.600108.9P725 D729 K732P725-M727 PolarHBondContact O-N 2.99Å; M727-D729 PolarHBondContact O-N 2.94Å; M727-K732 PolarHBondContact O-NZ 3.38Å
728N43.8Very low47.8Very low126 Ų126127.8 Ų127.867%0.67466%0.662SS**  trans-44.2124.9-176.5-68.1-26.9000112.5S730 W731N728-S730 PolarHBondContact O-N 2.91Å; N728-W731 PolarHBondContact O-N 3Å
729D48Very low48.9Very low101 Ų101123.9 Ų123.954%0.5464%0.644SS.*Hα-helixtrans-62.7-18.6-171.2-63.3-59.7000114M727 W731 K732 K733M727-D729 PolarHBondContact O-N 2.94Å; D729-W731 PolarHBondContact O-N 3.15Å; D729-K732 PolarHBondContact O-N 3.29Å; D729-K732 IonicContact OD1-NZ 2.7Å; D729-K732 PolarHBondContact OD1-NZ 3.1Å; D729-K733 WeakPolarHBondContact O-CB 3.45Å; D729-K733 WeakPolarHBondContact O-CG 3.12Å; D729-K733 PolarHBondContact O-N 3.27Å
730S48.5Very low50.7Low63 Ų63124.1 Ų124.144%0.44164%0.637SS.*Hα-helixtrans-50-40.3167-176.80000113N728 K734N728-S730 PolarHBondContact O-N 2.91Å; S730-K734 WeakPolarHBondContact O-CB 3.25Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.5Å
731W50.6Low52.1Low173 Ų173122.8 Ų122.866%0.65562%0.622SS**Hα-helixtrans-76.3-41.5-178.7-73.324000111.8N728 D729 K734 V735N728-W731 PolarHBondContact O-N 3Å; D729-W731 PolarHBondContact O-N 3.15Å; W731-K734 PolarHBondContact O-N 3.04Å; W731-V735 WeakPolarHBondContact O-CG2 3.47Å; W731-V735 PolarHBondContact O-N 3.13Å
732K52.3Low53.6Low100 Ų100122.3 Ų122.344%0.43562%0.616SS.*Hα-helixtrans-60.9-44.8173-65.5174.6-168.1150.90110.9M727 D729 V735 F736M727-K732 PolarHBondContact O-NZ 3.38Å; D729-K732 PolarHBondContact O-N 3.29Å; D729-K732 IonicContact OD1-NZ 2.7Å; D729-K732 PolarHBondContact OD1-NZ 3.1Å; K732-V735 PolarHBondContact O-N 3.18Å; K732-F736 VanDerWaalsContact O-CB 3.26Å; K732-F736 WeakPolarHBondContact O-CB 3.49Å; K732-F736 PolarHBondContact O-N 3.44Å
733K57.8Low55Low124 Ų124122.8 Ų122.854%0.53960%0.6SS.*Hα-helixtrans-56.1-50.3172.6-75.2177.6178.1-177.70111.2E335 D729 V735 F736 V737E335-K733 IonicContact OE1-NZ 3.34Å; D729-K733 WeakPolarHBondContact O-CB 3.45Å; D729-K733 WeakPolarHBondContact O-CG 3.12Å; D729-K733 PolarHBondContact O-N 3.27Å; K733-V735 PolarHBondContact O-N 2.64Å; K733-F736 PolarHBondContact O-N 2.95Å; K733-V737 WeakPolarHBondContact O-CB 3.17Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 3.33Å
734K60.1Low56.3Low147 Ų147115.7 Ų115.764%0.63958%0.579SS**Hα-helixtrans-61.2-43.3179.9-79-179.7178.3-1760113.4S730 W731 R738S730-K734 WeakPolarHBondContact O-CB 3.25Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.5Å; W731-K734 PolarHBondContact O-N 3.04Å; K734-R738 WeakPolarHBondContact O-CB 3.39Å; K734-R738 PolarHBondContact O-N 3.34Å
735V67.3Low57.7Low108 Ų108119.2 Ų119.266%0.65558%0.582SS**Hα-helixtrans-66.9-43.7177174.70000111.1W731 K732 K733 R738 A739W731-V735 WeakPolarHBondContact O-CG2 3.47Å; W731-V735 PolarHBondContact O-N 3.13Å; K732-V735 PolarHBondContact O-N 3.18Å; K733-V735 PolarHBondContact O-N 2.64Å; V735-R738 PolarHBondContact O-N 3.03Å; V735-A739 WeakPolarHBondContact O-CB 3.39Å; V735-A739 PolarHBondContact O-N 3.32Å
736F68.2Low58.9Low139 Ų139120.7 Ų120.761%0.6158%0.584SS**Hα-helixtrans-65.8-41.2179.6-171.1-107.5000112.7K732 K733 A739 L740K732-F736 VanDerWaalsContact O-CB 3.26Å; K732-F736 WeakPolarHBondContact O-CB 3.49Å; K732-F736 PolarHBondContact O-N 3.44Å; K733-F736 PolarHBondContact O-N 2.95Å; F736-A739 PolarHBondContact O-N 3.19Å; F736-L740 HydrophobicContact CD1-CD1 3.8Å; F736-L740 HydrophobicContact CE1-CD1 3.44Å; F736-L740 VanDerWaalsContact CE1-CD1 3.44Å; F736-L740 HydrophobicContact CE1-CG 4.29Å; F736-L740 HydrophobicContact CZ-CD1 4Å; F736-L740 HydrophobicContact CZ-CG 4.46Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 2.99Å
737V70.2Confident59.6Low83 Ų83116.1 Ų116.150%0.50357%0.573SS.*Hα-helixtrans-64.1-42173.7169.80000111.2K733 L740 L741K733-V737 WeakPolarHBondContact O-CB 3.17Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 3.33Å; V737-L740 PolarHBondContact O-N 2.96Å; V737-L741 WeakPolarHBondContact O-CB 3.34Å; V737-L741 PolarHBondContact O-N 3.3Å
738R65.5Low60Low196 Ų196121.2 Ų121.274%0.7460%0.595SS**Hα-helixtrans-63.8-41.8176.8-166.1172.7-174.8169.41.2111.6K734 V735 L741 T742K734-R738 WeakPolarHBondContact O-CB 3.39Å; K734-R738 PolarHBondContact O-N 3.34Å; V735-R738 PolarHBondContact O-N 3.03Å; R738-L741 PolarHBondContact O-N 2.9Å; R738-T742 PolarHBondContact O-N 3Å; R738-T742 PolarHBondContact O-OG1 3.48Å
739A64.5Low60.8Low57 Ų57121 Ų12147%0.47159%0.591SS.*Hα-helixtrans-64.3-43.3175.600000112.7V735 F736 T742 Y743V735-A739 WeakPolarHBondContact O-CB 3.39Å; V735-A739 PolarHBondContact O-N 3.32Å; F736-A739 PolarHBondContact O-N 3.19Å; A739-T742 PolarHBondContact O-N 3.44Å; A739-Y743 PolarHBondContact O-N 2.98Å
740L71.1Confident61.5Low97 Ų97122.1 Ų122.151%0.50859%0.594SS.*Hα-helixtrans-62.6-40.4173.9-86.5170.3000112.3F736 V737 Y743 A744F736-L740 HydrophobicContact CD1-CD1 3.8Å; F736-L740 HydrophobicContact CE1-CD1 3.44Å; F736-L740 VanDerWaalsContact CE1-CD1 3.44Å; F736-L740 HydrophobicContact CE1-CG 4.29Å; F736-L740 HydrophobicContact CZ-CD1 4Å; F736-L740 HydrophobicContact CZ-CG 4.46Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 2.99Å; V737-L740 PolarHBondContact O-N 2.96Å; L740-Y743 PolarHBondContact O-N 2.83Å; L740-A744 WeakPolarHBondContact O-CB 3.48Å; L740-A744 PolarHBondContact O-N 3.02Å
741L67.4Low62.2Low100 Ų100125.3 Ų125.352%0.52460%0.603SS.*Hα-helixtrans-65.4-43.1178.4-158.376.1000111V737 R738 A744 F745V737-L741 WeakPolarHBondContact O-CB 3.34Å; V737-L741 PolarHBondContact O-N 3.3Å; R738-L741 PolarHBondContact O-N 2.9Å; L741-A744 PolarHBondContact O-N 3.46Å; L741-F745 WeakPolarHBondContact O-CB 3.49Å; L741-F745 PolarHBondContact O-N 3.13Å
742T65.6Low62.9Low81 Ų81122.5 Ų122.550%0.49760%0.599SS.*Hα-helixtrans-62.2-40.7173.1-60.80000112R738 A739 F745 I746R738-T742 PolarHBondContact O-N 3Å; R738-T742 PolarHBondContact O-OG1 3.48Å; A739-T742 PolarHBondContact O-N 3.44Å; T742-F745 PolarHBondContact O-N 2.93Å; T742-I746 HydrophobicContact CG2-CD1 3.97Å; T742-I746 WeakPolarHBondContact O-CD1 3.5Å; T742-I746 WeakPolarHBondContact O-CG1 3.16Å; T742-I746 PolarHBondContact O-N 3.05Å
743Y62.2Low63.5Low131 Ų131123.9 Ų123.951%0.51461%0.61SS.*Hα-helixtrans-66.7-41.3178-146.7-76.6000111.8A739 L740 F745 I746 E747A739-Y743 PolarHBondContact O-N 2.98Å; L740-Y743 PolarHBondContact O-N 2.83Å; Y743-F745 VanDerWaalsContact C-N 3.27Å; Y743-F745 PolarHBondContact O-N 2.9Å; Y743-I746 PolarHBondContact O-N 3.44Å; Y743-I746 VanDerWaalsContact O-N 3.1Å; Y743-E747 HydrophobicContact CD1-CG 4.2Å; Y743-E747 HydrophobicContact CE1-CG 4.19Å; Y743-E747 PolarHBondContact O-N 3.48Å
744A63.2Low63.9Low51 Ų51123.9 Ų123.942%0.42161%0.614SS.*Hα-helixtrans-68.5-23.2176.400000113.6L740 L741 I746L740-A744 WeakPolarHBondContact O-CB 3.48Å; L740-A744 PolarHBondContact O-N 3.02Å; L741-A744 PolarHBondContact O-N 3.46Å; A744-I746 VanDerWaalsContact C-N 3.29Å
745F62.8Low64.2Low169 Ų169122.3 Ų122.374%0.74161%0.613SS**THydrogen-bonded Turntrans-85.62.5172.8-130.1-84.4000113.4L741 T742 Y743L741-F745 WeakPolarHBondContact O-CB 3.49Å; L741-F745 PolarHBondContact O-N 3.13Å; T742-F745 PolarHBondContact O-N 2.93Å; Y743-F745 VanDerWaalsContact C-N 3.27Å; Y743-F745 PolarHBondContact O-N 2.9Å
746I65.4Low64Low127 Ų127123.4 Ų123.465%0.65161%0.609SS**THydrogen-bonded Turntrans-115.4-15.4175.5-66.6167.2000110.9T742 Y743 A744T742-I746 HydrophobicContact CG2-CD1 3.97Å; T742-I746 WeakPolarHBondContact O-CD1 3.5Å; T742-I746 WeakPolarHBondContact O-CG1 3.16Å; T742-I746 PolarHBondContact O-N 3.05Å; Y743-I746 PolarHBondContact O-N 3.44Å; Y743-I746 VanDerWaalsContact O-N 3.1Å; A744-I746 VanDerWaalsContact C-N 3.29Å
747E54.8Low63.6Low149 Ų149122.1 Ų122.170%0.69661%0.609SS**  trans-96.110.9170.8-69-171.4151.500113.6Y743Y743-E747 HydrophobicContact CD1-CG 4.2Å; Y743-E747 HydrophobicContact CE1-CG 4.19Å; Y743-E747 PolarHBondContact O-N 3.48Å
748Q50.8Low63Low224 Ų224125.6 Ų125.6100%1.04762%0.619SS**  trans-118.50169.7-70.6-170.613.800110.6

Retrieved 748 of 748 residues in 196.8 ms (Link to these results)