A0A087YI12_POEFO Loading...

Gse1 coiled-coil protein b

AlphaFold DB , UniProt , Accession A0A087YI12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,186 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
1F29.7Very low31.7Very low265 Ų265152.7 Ų152.7100%1.16283%0.832SS**  01340-84.1-102.1000108.2
2L31.6Very low31.3Very low162 Ų162148.4 Ų148.485%0.84882%0.822SS**  trans-84.3165.3179.7-70.775.3000109
3G30Very low31.8Very low70 Ų70150.8 Ų150.872%0.72283%0.831SS**  cis93.1139.524.500000110
4M29.5Very low31.4Very low184 Ų184145.5 Ų145.591%0.90683%0.828SS**  cis-145.2176.414.9-67162.755.100111.4
5S28.2Very low31.8Very low108 Ų108147.3 Ų147.376%0.75583%0.829SS**  trans-131.2150.9-177.656.80000114.6
6H31.6Very low31.6Very low182 Ų182149.2 Ų149.284%0.84383%0.834SS**  trans-15.6140.5169.5-56.3-90000121.2
7E30.4Very low31.6Very low188 Ų188146.6 Ų146.688%0.87983%0.829SS**  -173.4170109.3-96.2-104.890.700111.8
8P42.9Very low31.4Very low88 Ų88146.7 Ų146.757%0.57183%0.833SS**  trans-128.1161.7-166.743.5-31.4000118.6
9K32Very low31.5Very low187 Ų187144.4 Ų144.481%0.81383%0.834SS**  trans73.4128.5147.5-74165.2-179.4179.60122.6
10S28.3Very low31.6Very low116 Ų116144.5 Ų144.581%0.81184%0.837SS**  trans68.3160.5151.758.20000118.1
11P34.6Very low31.6Very low130 Ų130149 Ų14984%0.84484%0.84SS**  cis-122.9-131.17.743-26.3000114.6
12S27.1Very low31.7Very low101 Ų101142.9 Ų142.971%0.70683%0.825SS**  trans-126.4157.4-149.757.50000116.7
13L37.1Very low31.7Very low180 Ų180141.6 Ų141.694%0.94282%0.824SS**  trans60.6129.4152.2-117.175.6000120
14G27.3Very low31.8Very low76 Ų76143.3 Ų143.378%0.78483%0.831SS**  trans-176.3115164.300000111.3
15M37Very low31.9Very low173 Ų173140.8 Ų140.885%0.85283%0.827SS**  trans-84.9150.8174.4-59.1-167.4-53.600111.1
16I28.5Very low31.8Very low177 Ų177142.7 Ų142.791%0.90883%0.833SS**  trans-144.5134.2149.314174.1000109.8
17S31.3Very low31.8Very low106 Ų106139 Ų13974%0.74183%0.828SS**  trans-112.6143.7-178.6-53.50000110.3
18T29Very low32.3Very low147 Ų147135.5 Ų135.590%0.90282%0.821SS**  trans-137.2124.6161.7530000109.8
19A33.3Very low31.7Very low103 Ų103138.6 Ų138.685%0.85183%0.832SS**  trans-128.8147.917300000109.3
20T32.3Very low31.8Very low147 Ų147135.2 Ų135.290%0.90283%0.828SS**  trans-136.5110176.551.10000110.8
21R32.1Very low32.3Very low239 Ų239135.6 Ų135.690%0.90283%0.827SS**  trans-137.4127.4161.1-175.8-179177.6-153.4-2.6108
22T32Very low31.8Very low137 Ų137134.5 Ų134.584%0.8482%0.823SS**  trans-98129.5-17231.10000112.8
23T32.2Very low33.1Very low134 Ų134135 Ų13582%0.82282%0.823SS**  trans-154148.7151.936.20000108
24A30.3Very low32.7Very low107 Ų107133.2 Ų133.288%0.88481%0.814SS**  trans-76.3163.8-164.800000115.5
25T32Very low32.9Very low131 Ų131136.7 Ų136.780%0.80482%0.815SS**  trans-125.2157178410000111.9
26V27.4Very low32.5Very low148 Ų148131.8 Ų131.890%0.89781%0.808SS**  trans-133.6136162.7-178.50000107.7
27S30.9Very low32.5Very low104 Ų104129.1 Ų129.173%0.72781%0.805SS**  trans-85.6169.5-169.3-49.80000113.6
28P41.5Very low32.6Very low114 Ų114131 Ų13174%0.7481%0.805SS**  -146.614296.935.9-19.2000117.9
29L30Very low32.6Very low153 Ų153130.3 Ų130.380%0.80180%0.801SS**  trans56.5103.1135.1-55.1174.1000122.4
30T33.9Very low32.5Very low117 Ų117129 Ų12972%0.71879%0.79SS**  19.9142117.750.30000120.3
31P38.2Very low32.4Very low123 Ų123130 Ų13080%0.79979%0.79SS**  -145.5169.555.840.8-22.2000119.6
32S25.5Very low32.3Very low108 Ų108122.4 Ų122.476%0.75579%0.786SS**  trans-103.8-154.4171.4-35.60000109.6
33P53Low32.2Very low111 Ų111121.7 Ų121.772%0.72179%0.787SS**  cis-132.6-174.7-25.628.6-6.1000112.9
34L29.1Very low32.8Very low143 Ų143121 Ų12175%0.74978%0.784SS**  -178.1148122.3-120.366.9000114.6
35N31.1Very low32.8Very low149 Ų149120.3 Ų120.380%0.79778%0.779SS**  trans24142.9152.9-53.5-11.7000122.3
36G29.5Very low32.8Very low69 Ų69118.8 Ų118.871%0.71178%0.78SS**  cis115.7142.2-6.100000116.3
37S28.4Very low33Very low121 Ų121120.6 Ų120.685%0.84678%0.778SS**  trans70153.4170.1-75.60000117.7
38I32.7Very low33.1Very low145 Ų145120.5 Ų120.574%0.74478%0.778SS**  cis-151.3134.65.4-108.9148.5000105.9
39V29.2Very low32.7Very low133 Ų133120 Ų12081%0.80678%0.777SS**  66134.876.2173.50000112.5
40A31.1Very low33.2Very low75 Ų75120.6 Ų120.662%0.6278%0.775SS**  cis-154.7163.628.500000116.9
41N30.6Very low33.9Very low168 Ų168120 Ų12090%0.89878%0.776SS**  trans41.8132.3139-57.3-5.2000124
42G29.3Very low34Very low81 Ų81116.4 Ų116.484%0.83576%0.761SS**  trans150.481.4148.300000118.9
43S30.7Very low34.8Very low121 Ų121119.2 Ų119.285%0.84676%0.76SS**  trans-74.5160.8166.6-66.90000112
44P45.2Very low35Very low119 Ų119116 Ų11677%0.77374%0.742SS**  cis-144.6170.326.743.1-24000119.7
45A30.5Very low35.8Very low94 Ų94111.6 Ų111.678%0.77773%0.727SS**  trans66.4108.5145.800000122.8
46A30.8Very low36.6Very low98 Ų98105.2 Ų105.281%0.8170%0.695SS**  trans85.8147.113500000122.6
47Q32.5Very low38.2Very low186 Ų186106.4 Ų106.487%0.86968%0.684SS**  trans82.999.2164.9-54.1-150.47.700121.5
48S33.1Very low39.5Very low102 Ų102107.4 Ų107.471%0.71367%0.67SS**  51.6114.8117.8-172.90000121.9
49S33.4Very low40Very low103 Ų103107.9 Ų107.972%0.7267%0.666SS**  trans-163.3114.8138-840000109.5
50H40.3Very low41Very low166 Ų166107.2 Ų107.277%0.76966%0.658SS**  74.3157.2100.6-78.8-74.8000115.4
51S46.9Very low41.7Very low106 Ų106108 Ų10874%0.74166%0.664SS**  cis-178.2158.2-4649.70000106.2
52G40.9Very low42.3Very low46 Ų46108.6 Ų108.647%0.47466%0.659SS.*  trans-168.6-129.9-172.700000116A54 A55G52-A54 CarbonylContact O-C 3.57Å; G52-A54 PolarHBondContact O-N 3.1Å; G52-A55 WeakPolarHBondContact O-CB 3.47Å; G52-A55 PolarHBondContact O-N 3.2Å
53F43.3Very low42.7Very low167 Ų167113 Ų11373%0.73266%0.657SS**THydrogen-bonded Turntrans-45.6-25.9-175.2177-94.3000114.4A55 T589 A590F53-A55 PolarHBondContact O-N 3.18Å; F53-T589 HydrophobicContact CD2-CG2 3.44Å; F53-T589 VanDerWaalsContact CD2-CG2 3.44Å; F53-T589 HydrophobicContact CE2-CG2 3.44Å; F53-T589 VanDerWaalsContact CE2-CG2 3.44Å; F53-T589 HydrophobicContact CG-CG2 4.4Å; F53-T589 HydrophobicContact CZ-CG2 4.42Å; F53-T589 VanDerWaalsContact O-CB 3.23Å; F53-T589 WeakPolarHBondContact O-CB 3.12Å; F53-T589 PolarHBondContact O-OG1 3.13Å; F53-A590 VanDerWaalsContact O-CB 3.29Å; F53-A590 WeakPolarHBondContact O-CB 3.29Å
54A56Low43.1Very low43 Ų43111.8 Ų111.836%0.35566%0.655SS.*THydrogen-bonded Turntrans-54.9-1.8166.200000114.7G52 A590 S591G52-A54 CarbonylContact O-C 3.57Å; G52-A54 PolarHBondContact O-N 3.1Å; A54-A590 CarbonylContact O-C 3.52Å; A54-A590 WeakPolarHBondContact O-CA 3.43Å; A54-A590 WeakPolarHBondContact O-CB 3.27Å; A54-S591 WeakPolarHBondContact O-CA 3.49Å; A54-S591 WeakPolarHBondContact O-CB 3.45Å; A54-S591 PolarHBondContact O-N 3.27Å; A54-S591 PolarHBondContact O-OG 3.25Å
55A46.7Very low42.5Very low52 Ų52115 Ų11543%0.4366%0.66SS.*SBendtrans-58.2-52.1-160.300000126.9G52 F53 E588 T589 S591G52-A55 WeakPolarHBondContact O-CB 3.47Å; G52-A55 PolarHBondContact O-N 3.2Å; F53-A55 PolarHBondContact O-N 3.18Å; A55-E588 VanDerWaalsContact CB-OE1 3.25Å; A55-E588 WeakPolarHBondContact CB-OE1 3.25Å; A55-T589 PolarHBondContact N-OG1 3.38Å; A55-S591 WeakPolarHBondContact O-CB 3.47Å; A55-S591 PolarHBondContact O-N 3.02Å
56A47.4Very low42.6Very low14 Ų14118.6 Ų118.612%0.11666%0.66CS.*SBendtrans-150.819.4-175.600000123.3R58 K59 L60 E588 T589 A590A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.07Å; A56-K59 HydrophobicContact CB-CB 3.94Å; A56-K59 HydrophobicContact CB-CD 3.99Å; A56-K59 VanDerWaalsContact O-CA 3.26Å; A56-K59 WeakPolarHBondContact O-CA 3.47Å; A56-K59 WeakPolarHBondContact O-CB 3.39Å; A56-K59 PolarHBondContact O-N 3.35Å; A56-L60 PolarHBondContact O-N 3.15Å; A56-E588 WeakPolarHBondContact CB-OE1 3.45Å; A56-E588 WeakPolarHBondContact CB-OE2 3.5Å; A56-E588 PolarHBondContact N-OE1 3.17Å; A56-E588 VanDerWaalsContact N-OE1 3.16Å; A56-T589 CarbonylContact C-O 3.59Å; A56-T589 WeakPolarHBondContact CA-O 3.36Å; A56-T589 WeakPolarHBondContact CB-O 3.4Å; A56-T589 PolarHBondContact N-O 3.14Å; A56-A590 VanDerWaalsContact N-C 3.28Å
57L63.1Low43.7Very low95 Ų95117 Ų11750%0.49764%0.642SS.*Hα-helixtrans-57.8-31.8-178.2-82.2-167.6000111.8K59 L60 A61 T589 A590L57-K59 PolarHBondContact O-N 3.4Å; L57-L60 HydrophobicContact CD2-CD1 3.92Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-A61 PolarHBondContact O-N 3.35Å; L57-T589 PolarHBondContact N-O 3.25Å; L57-A590 WeakPolarHBondContact CB-O 3.35Å; L57-A590 HydrophobicContact CG-CB 4.41Å; L57-A590 PolarHBondContact N-O 3.19Å
58R56.1Low43.6Very low142 Ų142118.9 Ų118.954%0.53664%0.641SS.*Hα-helixtrans-67.1-0174-44.5-168-153.8163.413.1112.7A56 S591 E592A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.07Å; R58-S591 WeakPolarHBondContact CB-O 3.33Å; R58-S591 WeakPolarHBondContact CD-O 3.33Å; R58-S591 WeakPolarHBondContact CG-O 3.36Å; R58-S591 VanDerWaalsContact CZ-C 3.41Å; R58-S591 VanDerWaalsContact NE-C 3.29Å; R58-S591 PolarHBondContact NE-O 3.17Å; R58-S591 VanDerWaalsContact NE-O 3.16Å; R58-E592 IonicContact CZ-OE1 3.3Å; R58-E592 IonicContact NH1-OE1 2.74Å; R58-E592 PolarHBondContact NH1-OE1 3.3Å; R58-E592 VanDerWaalsContact NH2-N 3.19Å; R58-E592 IonicContact NH2-OE1 3.92Å; R58-E592 PolarHBondContact NH2-OE1 3.28Å; R58-E592 IonicContact NH2-OE2 3.14Å
59K42.1Very low43.4Very low154 Ų154118.4 Ų118.467%0.6764%0.644SS**Hα-helixtrans-105.4-35.2171.1-152.2-179.1-178.8-173.80111.8A56 L57A56-K59 HydrophobicContact CB-CB 3.94Å; A56-K59 HydrophobicContact CB-CD 3.99Å; A56-K59 VanDerWaalsContact O-CA 3.26Å; A56-K59 WeakPolarHBondContact O-CA 3.47Å; A56-K59 WeakPolarHBondContact O-CB 3.39Å; A56-K59 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 3.4Å
60L50.4Low43.2Very low120 Ų120117.5 Ų117.563%0.62864%0.642SS**Hα-helixtrans-67-43.9170.8-103.9168.7000111.6A56 L57 K62A56-L60 PolarHBondContact O-N 3.15Å; L57-L60 HydrophobicContact CD2-CD1 3.92Å; L57-L60 PolarHBondContact O-N 3.04Å; L60-K62 PolarHBondContact O-N 3.44Å
61A46.7Very low42.6Very low92 Ų92115 Ų11576%0.7664%0.643SS**THydrogen-bonded Turntrans-72.521.6179.500000114.4L57L57-A61 PolarHBondContact O-N 3.35Å
62K43.3Very low41.7Very low179 Ų179115.2 Ų115.278%0.77865%0.645SS**THydrogen-bonded Turntrans-139.722-173.8-133.9-173.9-176.8-167.70115.3L60L60-K62 PolarHBondContact O-N 3.44Å
63Q37.4Very low41.1Very low173 Ų173121.4 Ų121.481%0.80867%0.665SS**  trans-122.515.4174.8-81.4-168.6-56.400114.6
64A37.8Very low40.3Very low97 Ų97118.5 Ų118.580%0.80267%0.666SS**SBendtrans-103.6114.9161.200000108.3
65E34.2Very low38.9Very low185 Ų185121.7 Ų121.786%0.86469%0.686SS**  trans-79133.3-174.8-73.3173.310400112.6
66E32.8Very low38Very low170 Ų170127.8 Ų127.879%0.79471%0.705SS**  22.1155.3115.5-86.7-129.9123.200120.7
67P52.4Low37Very low65 Ų65132 Ų13242%0.42273%0.733SS.*  cis-145.8-157.1-3936.6-14.8000112
68R31.6Very low35.3Very low225 Ų225132.9 Ų132.985%0.84975%0.748SS**  trans77.3150169.5-59171.4-175.789.59.4114.4
69A28.7Very low34.5Very low93 Ų93132.2 Ų132.277%0.76976%0.762SS**  cis-176.2163.1-11.700000106.5
70A29.1Very low33.8Very low84 Ų84131.3 Ų131.369%0.69477%0.769SS**  cis-163.4178.4-15.700000108.5
71S28Very low32.7Very low112 Ų112131 Ų13178%0.78378%0.777SS**  trans47.611015257.70000120.3
72S28.1Very low32.1Very low111 Ų111132 Ų13278%0.77678%0.778SS**  trans-41.6154.6146.7-26.40000114.1
73I28.3Very low31.8Very low176 Ų176129 Ų12990%0.90378%0.777SS**  -163.5175.2103.144169.7000111.1
74S25.9Very low31.3Very low106 Ų106124.8 Ų124.874%0.74177%0.772SS**  trans-77.9163.4-160.2-40.20000117.8
75S27.1Very low30.8Very low111 Ų111125.3 Ų125.378%0.77677%0.765SS**  trans90.2152.1140.9-61.30000121.4
76E26.9Very low30.5Very low180 Ų180122.6 Ų122.684%0.84176%0.757SS**  trans88.2118.4158.2-83.3-174.583.700122.8
77S26.2Very low30.5Very low101 Ų101122.4 Ų122.471%0.70676%0.755SS**  trans50.7127.9139.953.20000122.9
78S29.5Very low29.4Very low114 Ų114124.7 Ų124.780%0.79777%0.773SS**  trans-61.1159.6159.3-46.10000112
79P38.1Very low29.5Very low128 Ų128119.4 Ų119.483%0.83177%0.771SS**  -129.7158.8117.336.6-31.4000114.7
80V27.4Very low30.3Very low135 Ų135121.2 Ų121.282%0.81877%0.774SS**  trans-86.1138177165.80000110.6
81S26.9Very low30.6Very low115 Ų115123 Ų12380%0.80478%0.777SS**  179136.7129.8-80.70000113.5
82S35.1Very low30.8Very low112 Ų112123.5 Ų123.578%0.78378%0.78SS**  trans-72.6164.9159.5-41.20000110.1
83P37.4Very low31Very low116 Ų116124.1 Ų124.175%0.75378%0.779SS**  -153.6173.184.542.1-24.6000116
84A26.2Very low32.3Very low85 Ų85120.8 Ų120.870%0.70277%0.769SS**  trans55.6151.513600000121.7
85T28.1Very low32.6Very low108 Ų108125.1 Ų125.166%0.66377%0.774SS**  cis-167.2159.3-15.823.90000109.2
86N27.1Very low32.8Very low127 Ų127131.1 Ų131.168%0.67978%0.78SS**  trans68.7165.2148.6-65.8-20000120.8
87H32.4Very low33Very low167 Ų167125.6 Ų125.677%0.77377%0.771SS**  trans72.3135.4165.7-40.5-70.5000117.1
88S29.5Very low33.9Very low112 Ų112127.3 Ų127.378%0.78378%0.78SS**  cis-169142-23.4-1020000107.5
89S33Very low34.5Very low115 Ų115130.4 Ų130.480%0.80479%0.787SS**  trans-71.3159.4163.9-47.50000110.3
90P47Very low34.1Very low130 Ų130127.4 Ų127.484%0.84478%0.779SS**  -148.2167.588.238.2-20.5000117.6
91V34.7Very low35.2Very low123 Ų123127.7 Ų127.775%0.74578%0.783SS**  trans-58.9151.8176.7164.50000115.5
92S32.4Very low35.4Very low121 Ų121125.6 Ų125.685%0.84678%0.78SS**  trans-157.4154.5144.2-83.50000113.2
93T33.1Very low36Very low124 Ų124126.2 Ų126.276%0.76178%0.782SS**  trans-143.6-166-174.357.30000109.6
94P54.8Low35.7Very low106 Ų106126.4 Ų126.469%0.68878%0.78SS**  -126.8172.6-58.833.7-17.4000113.7
95K32.5Very low35.8Very low198 Ų198129.3 Ų129.386%0.86178%0.783SS**  trans162.9161.4152.3-91150.2-168.6166.60109.3
96R31.5Very low35.8Very low237 Ų237130.1 Ų130.189%0.89479%0.787SS**  cis-156.2158.110.4-141.4175.7-174.4169.1-1.1109.7
97G29.6Very low36.7Very low64 Ų64129.3 Ų129.366%0.6679%0.789SS**  trans-91.8-158.5163.700000112.8
98P46.1Very low37.7Very low136 Ų136126.9 Ų126.988%0.88379%0.788SS**  cis-140.5-156.91644.7-24.6000115.6
99L41.2Very low37.5Very low180 Ų180126.5 Ų126.594%0.94279%0.792SS**  trans-122.3167.3-175.9-137.4103.4000113.7
100G30.1Very low37.3Very low64 Ų64124.4 Ų124.466%0.6679%0.788SS**  trans104.9-179.7155.900000117.4
101P50Low36.4Very low141 Ų141127.2 Ų127.292%0.91679%0.79SS**  cis-137.6172-10.141.4-24.9000115.9
102G31.2Very low36.1Very low72 Ų72127.1 Ų127.174%0.74279%0.794SS**  trans165.8126.316800000116.7
103P49.2Very low36.2Very low125 Ų125128 Ų12881%0.81279%0.794SS**  trans-137.6-170.3-165.429.9-4.8000118.4
104V29.2Very low36.9Very low119 Ų119127 Ų12772%0.72179%0.79SS**  trans110.6116.7146.4-173.10000121.4
105L28.8Very low35.7Very low147 Ų147128.7 Ų128.777%0.7779%0.793SS**  trans52.8140.5151-59.1167.2000122.6
106V27.6Very low35.5Very low124 Ų124125.4 Ų125.475%0.75279%0.79SS**  cis88.3138.630.3167.10000114.2
107P46.2Very low36.3Very low111 Ų111119.6 Ų119.672%0.72178%0.783SS**  cis-138.1-130.1-2439.8-15.9000113.4
108P53.6Low36.7Very low115 Ų115122.1 Ų122.175%0.74779%0.788SS**  -124.9-174.1-6636.5-17.8000117.1
109A26.6Very low35.9Very low105 Ų105121.9 Ų121.987%0.86878%0.784SS**  trans82.1149.7153.300000120.2
110G27.3Very low35.5Very low70 Ų70119.4 Ų119.472%0.72278%0.776SS**  cis-162.2179.84.700000115.8
111H29.2Very low35.6Very low190 Ų190122.7 Ų122.788%0.8878%0.783SS**  trans-83.3152.9-158.7-43.3-95.1000118.2
112S27.1Very low34.8Very low120 Ų120123.2 Ų123.284%0.83978%0.777SS**  174.1170.8118.244.70000114.3
113V34.5Very low34.8Very low139 Ų139123.7 Ų123.784%0.84277%0.773SS**  trans-143.6175.5-174.5-124.90000107.5
114P48.3Very low34.1Very low104 Ų104124 Ų12468%0.67578%0.775SS**  cis-143.1179.215.942.6-22.1000119.4
115N29.8Very low34.2Very low141 Ų141125 Ų12575%0.75478%0.782SS**  trans81.5127.9143.9-89.12.9000125.3
116T29.3Very low34.3Very low129 Ų129127.8 Ų127.879%0.79179%0.788SS**  trans78.9150.2147.344.70000120.8
117P47.5Very low34.4Very low116 Ų116128 Ų12875%0.75379%0.79SS**  trans-130-177.7-141.144.9-31.2000116.2
118P38Very low33.6Very low117 Ų117127.8 Ų127.876%0.7679%0.791SS**  trans-131.6138.7151.936.9-23.6000115.9
119V29.4Very low32.3Very low131 Ų131130.7 Ų130.779%0.79480%0.801SS**  trans17.2129.1141.2-171.40000119.6
120V32.9Very low32.4Very low128 Ų128129.4 Ų129.478%0.77680%0.798SS**  trans-111126.2161.6176.20000110.4I122V120-I122 HydrophobicContact CG1-CG1 4.32Å
121T31.3Very low32.5Very low132 Ų132132.1 Ų132.181%0.8180%0.795SS**  trans-90.6126.1175-42.40000110.2
122I34.6Very low32.4Very low152 Ų152133.4 Ų133.478%0.77979%0.792SS**  trans-111.3124.6176.9-57.6179.3000109.6V120V120-I122 HydrophobicContact CG1-CG1 4.32Å
123A30.5Very low32.4Very low82 Ų82137.3 Ų137.368%0.67879%0.788SS**PPolyproline II helixtrans-88145.5175.600000111.5
124P34.4Very low32.2Very low131 Ų131137.8 Ų137.885%0.85179%0.786SS**PPolyproline II helixtrans-83.3119.3-174.331.5-34.3000113
125T31.5Very low31.2Very low142 Ų142140.3 Ų140.387%0.87179%0.789SS**PPolyproline II helixtrans-93.612917245.80000111.8
126K31.3Very low31.1Very low204 Ų204136.4 Ų136.489%0.88778%0.782SS**PPolyproline II helixtrans-99.4124.9174.8-76.5-179.6173178.80111.5
127T29.9Very low31.2Very low128 Ų128138.7 Ų138.779%0.78578%0.776SS**  trans-163.6102.4152.236.90000107.2
128S27.8Very low30.2Very low108 Ų108139.5 Ų139.576%0.75577%0.77SS**  94.796.468.164.90000112.8
129N27.3Very low29.7Very low176 Ų176137.8 Ų137.894%0.94177%0.766SS**  trans-70.1144.8173.8-78.47.1000112.6
130G28.7Very low29.5Very low78 Ų78137.2 Ų137.280%0.80476%0.758SS**  trans-115.2152.2157.800000110.4
131L28.1Very low29.2Very low127 Ų127136.7 Ų136.767%0.66576%0.76SS**  trans-132.2179.1-170.3-17455.2000111.4
132W28.3Very low28.7Very low217 Ų217133.8 Ų133.882%0.82276%0.756SS**  trans85.1125.5173-42107.5000114
133R28Very low29.2Very low201 Ų201132 Ų13276%0.75876%0.755SS**  cis84.598.526.1-66.1-161.4178.1-88.45.5117.7
134N29.7Very low29Very low149 Ų149140.1 Ų140.180%0.79777%0.768SS**  trans34.7115.7136.6-57.813.4000123.4
135E27.1Very low28.6Very low157 Ų157137.3 Ų137.373%0.73476%0.763SS**  171.4161.1123-98.9-155.394.200108.4R137E135-R137 IonicContact OE1-CZ 2.59Å; E135-R137 IonicContact OE1-NE 3.45Å; E135-R137 PolarHBondContact OE1-NE 3.16Å; E135-R137 IonicContact OE1-NH2 3.9Å; E135-R137 PolarHBondContact OE1-NH2 2.97Å; E135-R137 IonicContact OE2-NH2 2.79Å
136G27Very low28.3Very low59 Ų59135.9 Ų135.961%0.60877%0.765SS**  cis156.7156.3-7.400000112.6
137R32.4Very low28Very low178 Ų178131.7 Ų131.767%0.67276%0.761SS**  trans75.8159.9162.5-51.8160.2-162.7-94.6-2.5116.8E135E135-R137 IonicContact OE1-CZ 2.59Å; E135-R137 IonicContact OE1-NE 3.45Å; E135-R137 PolarHBondContact OE1-NE 3.16Å; E135-R137 IonicContact OE1-NH2 3.9Å; E135-R137 PolarHBondContact OE1-NH2 2.97Å; E135-R137 IonicContact OE2-NH2 2.79Å
138Q26Very low27.9Very low133 Ų133134.7 Ų134.762%0.62176%0.758SS**  cis-169157.5-18.5-109.1179.5-10.900112.3
139A26.9Very low27.9Very low81 Ų81135.2 Ų135.267%0.66975%0.749SS**  trans72.1161.4152.400000120.2
140D25.5Very low28Very low119 Ų119135.4 Ų135.464%0.63674%0.736SS**  cis-159.4167.81-140.2-18.4000117.3K809D140-K809 IonicContact OD1-NZ 3.36Å; D140-K809 PolarHBondContact OD1-NZ 3.13Å; D140-K809 IonicContact OD2-NZ 2.72Å; D140-K809 PolarHBondContact OD2-NZ 2.86Å
141S26.4Very low28.1Very low116 Ų116138.8 Ų138.881%0.81174%0.735SS**  trans81.8151.5152.571.40000124
142G21.8Very low27.9Very low71 Ų71137.3 Ų137.373%0.73274%0.741SS**  trans-115-137.8-172.800000115.1
143P44.5Very low27.8Very low115 Ų115131.3 Ų131.375%0.74774%0.738SS**  cis-150.6-174.812.946.6-26.2000119.9
144R26.5Very low27.9Very low253 Ų253130.1 Ų130.196%0.95574%0.741SS**  trans69.8150.5161.9-62.7-178.3177.9-130.1-1.6120
145G25Very low27.8Very low72 Ų72126.4 Ų126.474%0.74274%0.738SS**  cis164.1158.6-13.500000116.3
146A26.6Very low27.8Very low111 Ų111124.2 Ų124.292%0.91774%0.735SS**  trans68.9160.1168.200000120
147S24.7Very low27.8Very low117 Ų117130 Ų13082%0.81874%0.744SS**  cis-175.8161.9-28.2-173.50000112
148R27.8Very low27.4Very low191 Ų191127.6 Ų127.672%0.72175%0.754SS**  trans80.1149.3156-156.5174.3-166.9147.327.4119.6R150R148-R150 VanDerWaalsContact NH2-NH2 3.18Å
149E27.4Very low27.5Very low118 Ų118129.5 Ų129.555%0.55176%0.763SS**  cis176.8159.6-27.3-174.1-170.8-118.100111.6
150R30.8Very low27.6Very low180 Ų180132 Ų13268%0.67976%0.761SS**  trans82.6156.8163.8-50.7-170.2-150.8-84.6-2121.7R148R148-R150 VanDerWaalsContact NH2-NH2 3.18Å
151L29.6Very low27.7Very low149 Ų149134.8 Ų134.878%0.7877%0.767SS**  cis-171.2148.6-27.4-101.4178.7000112.6
152A24.4Very low27.8Very low96 Ų96132.8 Ų132.879%0.79377%0.766SS**  trans58.2166.3148.200000120.9
153A27Very low28.1Very low91 Ų91133 Ų13375%0.75277%0.768SS**  cis-157.8140.71.400000109.6
154E28.1Very low28Very low177 Ų177134 Ų13483%0.82777%0.774SS**  92.314884.6-98.1-52.1120.900119.1
155G27.9Very low28Very low70 Ų70127 Ų12772%0.72276%0.764SS**  trans143.5106.4165.300000119.5
156T26.8Very low28.1Very low111 Ų111130 Ų13068%0.68177%0.768SS**  trans-109.7-168.8-177.262.40000113.8
157F28.3Very low28.7Very low181 Ų181130.3 Ų130.379%0.79476%0.76SS**  cis-164158.96.8-124.2-38.6000110.4
158S22.8Very low28.8Very low127 Ų127128.6 Ų128.689%0.88875%0.753SS**  trans-173.4165.2157.8-88.90000115.4
159Q28.2Very low29Very low174 Ų174127.2 Ų127.281%0.81375%0.754SS**  trans-147.4176.6-144.1-152.7-169.29.800117
160E29.2Very low29.2Very low133 Ų133128.9 Ų128.962%0.62177%0.766SS**  trans79.7148.1164.1-55.5-121.4107.900117.4
161K29.2Very low29.2Very low177 Ų177128.6 Ų128.677%0.7778%0.777SS**  cis-160.5168-4.7-121.5177.9174.878.60106.2
162G26.8Very low28.9Very low75 Ų75125 Ų12577%0.77378%0.777SS**  cis177.4172.2100000110.1
163G29.1Very low29.3Very low75 Ų75127.3 Ų127.377%0.77378%0.776SS**  trans-98.4-165.1-17600000116
164P42Very low30.2Very low136 Ų136128.7 Ų128.788%0.88378%0.777SS**  cis-118.1-143.923.629.6-5.4000112.5
165S27.4Very low30.3Very low107 Ų107130.9 Ų130.975%0.74878%0.779SS**  cis-159.2-152.615.569.50000115.4
166V27Very low30.4Very low134 Ų134132.1 Ų132.181%0.81278%0.782SS**  trans-162.5176.2-160.7-104.90000110.4
167P38.7Very low30.5Very low118 Ų118136.9 Ų136.977%0.76679%0.794SS**  cis-133.5-159.4236-12.7000115.8
168A27.6Very low30.4Very low80 Ų80131.2 Ų131.266%0.66179%0.787SS**  trans-93.9-167.3-175.200000114.5
169H31.3Very low30.7Very low163 Ų163133.8 Ų133.876%0.75579%0.79SS**  cis-167.6150.746.2-66-98.7000115.9
170L32Very low31Very low153 Ų153131.8 Ų131.880%0.80179%0.79SS**  trans65.2159.2136.1-70.1171.9000125.9
171L29.1Very low31.9Very low173 Ų173131.6 Ų131.691%0.90680%0.8SS**  trans68.4150.4176.5-8565.5000116.8
172G25.1Very low31.9Very low75 Ų75127 Ų12777%0.77380%0.802SS**  cis179.8162.5-4.200000110.9
173N31.6Very low32.1Very low144 Ų144128.1 Ų128.177%0.7780%0.804SS**  trans-127.9143.4-171.1-160.321.5000112.5
174P45.5Very low32.2Very low120 Ų120131.2 Ų131.278%0.77981%0.808SS**  -151.2177.3117.338-19.5000117.1
175Y30.7Very low31.8Very low222 Ų222132.5 Ų132.587%0.87180%0.804SS**  trans-75.7157.2-175.2-95.6-109.8000117.4
176A29.5Very low31.9Very low96 Ų96136.8 Ų136.879%0.79381%0.812SS**  -175.3164.6125.700000115.7
177F30.2Very low32Very low212 Ų212136.9 Ų136.993%0.9381%0.808SS**  trans-57.4168.5176.6-72.3-110.7000115.6
178G24.8Very low31.6Very low62 Ų62135.2 Ų135.264%0.63980%0.8SS**  cis158.6-170.5-0.700000113.1
179L30.1Very low31.6Very low181 Ų181142 Ų14295%0.94881%0.808SS**  trans84.9145.3170.6-53.9177.2000121.2
180T34.6Very low31.4Very low132 Ų132143.5 Ų143.581%0.8181%0.813SS**  trans-120.5-167.316857.50000108.2
181P47.3Very low32.5Very low129 Ų129141.4 Ų141.484%0.83881%0.808SS**  cis-134.4-166.5-7.743.6-25.5000114.3
182G29.9Very low33.4Very low79 Ų79138.2 Ų138.281%0.81480%0.798SS**  trans171.9143.416400000117.6
183A29.8Very low33.4Very low99 Ų99141.9 Ų141.982%0.81880%0.799SS**  trans-89.1-175.2179.400000113
184V31.7Very low33.1Very low141 Ų141141 Ų14186%0.85580%0.795SS**  -167165.959.7170.60000111.3
185M33.4Very low32.4Very low162 Ų162142.5 Ų142.580%0.79880%0.795SS**  trans-67.4161.8176.3-53157.759.800116.2
186Q30.1Very low33.3Very low198 Ų198137 Ų13793%0.92579%0.786SS**  -173.3-173117.3-102.8-173.129.600114.4
187D28.4Very low33.1Very low136 Ų136142.8 Ų142.873%0.72779%0.788SS**  trans-147161.9-139.5-165.9-14.9000114.9
188S30.3Very low33Very low83 Ų83140.2 Ų140.258%0.5878%0.779SS**  trans75.4135.7148.8-78.90000123.8
189R27.9Very low33.2Very low221 Ų221144.4 Ų144.483%0.83479%0.786SS**  175.4111.6112.1-90.8169.3-71.3-172.81.3116.5
190F27.7Very low33.6Very low195 Ų195140.8 Ų140.886%0.85577%0.773SS**  trans61.7150.7145.5-66.5-80.2000125.6
191P55.5Low33.4Very low110 Ų110141.9 Ų141.971%0.71477%0.774SS**  trans-108.3-164.8178.346.7-36.2000112.5
192P46.6Very low32.4Very low106 Ų106140.4 Ų140.469%0.68877%0.772SS**  -161.8-174.275.139.3-13.9000119.4
193L26.2Very low32.4Very low152 Ų152143.3 Ų143.380%0.79677%0.774SS**  trans76.2156.4158.2-54179.6000121.6
194N24.8Very low33.7Very low126 Ų126143.9 Ų143.967%0.67477%0.77SS**  cis-170.7128.7-47.9-124.9-26000114.7
195L31.1Very low34.5Very low151 Ų151143.2 Ų143.279%0.79177%0.768SS**  trans63.6178.5149.1-68.2165.8000120.4
196P48.6Very low34.1Very low106 Ų106139.1 Ų139.169%0.68877%0.768SS**  -139.9-167-69.341.5-22.9000116.7
197R25.1Very low34Very low217 Ų217134.1 Ų134.182%0.81976%0.76SS**  trans89.3151.4165.1-64.4-169120.1166.2-2.1118.7
198Q28.1Very low34.1Very low158 Ų158134.4 Ų134.474%0.73877%0.767SS**  cis-160.8162.6-10.9-98.4-98.9105.200111.9
199L30.2Very low34.7Very low151 Ų151135.8 Ų135.879%0.79177%0.774SS**  trans-84172.3164.5-93.5162.7000111.4
200P39.3Very low34.7Very low104 Ų104134.7 Ų134.768%0.67578%0.778SS**  cis-158.3178.143.545.6-22.9000121.8
201N28.9Very low34.9Very low155 Ų155133.2 Ų133.283%0.82977%0.773SS**  trans43.1133.8143.6-61.95.3000125.6
202A26.2Very low33.7Very low98 Ų98137.8 Ų137.881%0.8178%0.778SS**  -172.1164.2124.600000112.6
203V29.6Very low33.2Very low140 Ų140140.1 Ų140.185%0.84878%0.784SS**  trans-142.2-166.8-178-137.90000112.4
204P59.1Low33.4Very low112 Ų112145.1 Ų145.173%0.72779%0.792SS**  trans-107.7-166-137.342.1-23.1000114.9
205P47.4Very low33.6Very low126 Ų126144.1 Ų144.182%0.81880%0.795SS**  -158.9157.595.340.3-20.7000120
206G25.1Very low33.5Very low77 Ų77146.4 Ų146.479%0.79480%0.799SS**  trans83.7164.3141.100000121.5
207A28.2Very low32.7Very low92 Ų92153.1 Ų153.176%0.7681%0.811SS**  cis-169.3132.1-19.600000114.7
208V30.9Very low33.3Very low143 Ų143147.6 Ų147.687%0.86780%0.803SS**  trans64.1177.3154.3-115.50000119.5
209P42.5Very low33.4Very low112 Ų112150.9 Ų150.973%0.72781%0.81SS**  -129178.7-124.345.5-27.8000116.6
210E28.2Very low33.4Very low197 Ų197148 Ų14892%0.92181%0.808SS**  trans-164.2165.2139-118.3163.7-17800113.8
211E31.2Very low32.9Very low164 Ų164149.7 Ų149.777%0.76682%0.816SS**  trans-106-171.6-179.5-63.5-176.4141.900111.8
212Y30.8Very low32.9Very low206 Ų206147 Ų14781%0.80882%0.816SS**  trans82.1125.9171-70.7-92.9000119.9
213L34.9Very low33.3Very low155 Ų155151.9 Ų151.981%0.81282%0.822SS**  trans6291.8150.4-60171000119.2
214R31.5Very low33.3Very low257 Ų257152.6 Ų152.697%0.9782%0.821SS**  -154.9134.3124.9-111.1158.1-145.9-123.51.3114.1
215S28.7Very low31.9Very low105 Ų105152 Ų15273%0.73482%0.82SS**  trans-93.4140-178.452.20000112.8
216F28.9Very low31.3Very low200 Ų200154 Ų15488%0.87782%0.823SS**  trans32.4104.8150.5-74.3-91.8000119.4
217R32.5Very low31.6Very low247 Ų247161.7 Ų161.793%0.93283%0.828SS**  -167128.4126.4-76.2-146.9-175.4-164.80112.1
218P37.9Very low31.8Very low101 Ų101164.6 Ų164.666%0.65683%0.827SS**  trans-107.3159.8134.734.9-29000109.4
219Y29.4Very low31.5Very low226 Ų226167.2 Ų167.289%0.88683%0.83SS**  cis-128.7158.219.9-70.1-103.6000112.7
220A29.5Very low30.8Very low90 Ų90166.4 Ų166.474%0.74483%0.827SS**  trans-147.6117.5156.100000111
221T30.2Very low31.5Very low140 Ų140164.2 Ų164.286%0.85982%0.821SS**  trans9.8135.8144.154.80000121
222A28.6Very low32Very low99 Ų99162.3 Ų162.382%0.81882%0.823SS**  trans-155.3114.6137.600000111
223E34.3Very low32.3Very low201 Ų201160.1 Ų160.194%0.93982%0.824SS**  trans-94.6117.7143.1-78.6-163.9161.300106.7
224D29.8Very low32.2Very low154 Ų154155.8 Ų155.882%0.82482%0.817SS**  trans-165.7167.2148.6-143.1-33.5000110.6
225S29.6Very low32.3Very low100 Ų100151.7 Ų151.770%0.69981%0.813SS**  trans6949.6164.5-62.10000118.4R227S225-R227 PolarHBondContact O-N 2.69Å
226L33.8Very low32.9Very low169 Ų169151.6 Ų151.689%0.88581%0.805SS**  trans-73.596.4141.2-95.3175.8000109.4M228L226-M228 HydrophobicContact CD2-CE 4.29Å
227R30.9Very low33.8Very low237 Ų237147.3 Ų147.389%0.89480%0.797SS**  trans-127.3116.3166.4-113.1-178.6-179.81453.1110.5S225S225-R227 PolarHBondContact O-N 2.69Å
228M32.7Very low34.5Very low153 Ų153139 Ų13975%0.75478%0.78SS**  trans-72.7147.4176.6-68.8-76.4103.200112L226L226-M228 HydrophobicContact CD2-CE 4.29Å
229Q25.3Very low35Very low199 Ų199136.9 Ų136.993%0.9377%0.772SS**  trans-132.1148145-96-172.1-7.900108.8
230S28.8Very low35.9Very low94 Ų94129.4 Ų129.466%0.65776%0.756SS**  trans-147.2131-146.356.20000114.7
231L41.2Very low36.8Very low151 Ų151128.5 Ų128.579%0.79175%0.749SS**  trans65.5145.3151.9-55.8172.7000116.4
232P41.6Very low37.7Very low125 Ų125125.1 Ų125.181%0.81274%0.736SS**  -141.4165.276.728.2-7.2000114.9
233L38.1Very low38.5Very low160 Ų160123.8 Ų123.884%0.83873%0.725SS**  cis-167.7170.9-27-141.9115.1000108
234G32.2Very low39.3Very low63 Ų63117.7 Ų117.765%0.64971%0.709SS**  trans118.172.9148.100000119.4
235L34.9Very low40Very low172 Ų172114 Ų11490%0.90170%0.699SS**  trans-138.6157.6149.5-82.3-177.1000110.4
236D40.9Very low40.8Very low103 Ų103119.1 Ų119.155%0.55171%0.705SS**  trans-80.3146.4-167-179.582.9000114.2A238 A239D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.06Å; D236-A238 VanDerWaalsContact OD2-CB 3.27Å; D236-A238 WeakPolarHBondContact OD2-CB 3.47Å; D236-A238 PolarHBondContact OD2-N 2.97Å; D236-A239 PolarHBondContact O-N 2.79Å
237P48.6Very low41.2Very low110 Ų110121.2 Ų121.271%0.71470%0.703SS**Hα-helixtrans-59.1-26.2-178.1-26.336.6000115.8A239P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.92Å
238A46.4Very low41.4Very low71 Ų71117.9 Ų117.959%0.58770%0.697SS**Hα-helixtrans-69.1-31.4179.800000112.7D236D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.06Å; D236-A238 VanDerWaalsContact OD2-CB 3.27Å; D236-A238 WeakPolarHBondContact OD2-CB 3.47Å; D236-A238 PolarHBondContact OD2-N 2.97Å
239A47.9Very low41.6Very low58 Ų58116.4 Ų116.448%0.47970%0.698SS.*Hα-helixtrans-71-32.4-178.600000112.8D236 P237 A241 A242 A243D236-A239 PolarHBondContact O-N 2.79Å; P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.92Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.48Å; A239-A242 PolarHBondContact O-N 3.11Å; A239-A243 PolarHBondContact O-N 2.87Å
240A48.2Very low42Very low68 Ų68111.3 Ų111.356%0.56269%0.685SS**Hα-helixtrans-66.1-35.8178.900000112.5A243 A244A240-A243 PolarHBondContact O-N 3.49Å; A240-A244 PolarHBondContact O-N 3.33Å
241A48.8Very low42.9Very low71 Ų71117.2 Ų117.259%0.58769%0.694SS**Hα-helixtrans-66.7-37.8178.900000112.7A239 A244A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.48Å; A241-A244 PolarHBondContact O-N 3.27Å
242A48.4Very low42.8Very low70 Ų70117.6 Ų117.658%0.57970%0.697SS**Hα-helixtrans-67.7-36.7177.700000112.6A239 A244A239-A242 PolarHBondContact O-N 3.11Å; A242-A244 VanDerWaalsContact C-N 3.35Å
243A47.2Very low42.4Very low71 Ų71117.5 Ų117.559%0.58770%0.696SS**Hα-helixtrans-68.2-32177.400000113A239 A240 A245A239-A243 PolarHBondContact O-N 2.87Å; A240-A243 PolarHBondContact O-N 3.49Å; A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 2.82Å
244A50Low42Very low73 Ų73118.4 Ų118.460%0.60370%0.695SS**Hα-helixtrans-69.9-20.6-179.300000114A240 A241 A242 Y246A240-A244 PolarHBondContact O-N 3.33Å; A241-A244 PolarHBondContact O-N 3.27Å; A242-A244 VanDerWaalsContact C-N 3.35Å; A244-Y246 VanDerWaalsContact C-N 3.33Å; A244-Y246 PolarHBondContact O-N 2.9Å
245A44.2Very low42.4Very low76 Ų76121.5 Ų121.563%0.62870%0.704SS**THydrogen-bonded Turntrans-77.6-11.5-176.300000114.8A243A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 2.82Å
246Y46.1Very low42.2Very low208 Ų208118.4 Ų118.482%0.81670%0.697SS**THydrogen-bonded Turntrans-105.32.1-172.2-100.3-86.5000115.7A244A244-Y246 VanDerWaalsContact C-N 3.33Å; A244-Y246 PolarHBondContact O-N 2.9Å
247Y43.4Very low41.6Very low213 Ų213123.6 Ų123.684%0.83572%0.715SS**  trans-135.188.4177.7-81.2-87.6000112.2
248H33.9Very low40.8Very low166 Ų166124.4 Ų124.477%0.76972%0.718SS**  trans-87.5148.4166-110.4-96.1000111.2S250H248-S250 PolarHBondContact O-N 3.47Å
249P38.2Very low40.5Very low122 Ų122126.9 Ų126.979%0.79273%0.728SS**SBendtrans-89.650.4-15336.9-38.9000114.8
250S34.1Very low39.6Very low93 Ų93134.4 Ų134.465%0.6575%0.745SS**  trans-91.1-6.3-175.3-52.70000115.5H248H248-S250 PolarHBondContact O-N 3.47Å
251Y47.6Very low39Very low217 Ų217138.7 Ų138.785%0.85175%0.747SS**SBendtrans-142.350.8-166.5-71.4-74.4000115.8
252L38.5Very low38.1Very low160 Ų160139.9 Ų139.984%0.83874%0.742SS**  trans-142.9137.8150.5-80.4-175.4000110.4
253P33.2Very low37.6Very low122 Ų122141 Ų14179%0.79274%0.738SS**PPolyproline II helixtrans-83.9134.3179.732.7-33.4000112.3
254H29.6Very low37.2Very low180 Ų180143.4 Ų143.483%0.83374%0.741SS**PPolyproline II helixtrans-81.3139.5169.2-77.7-90000111.5
255P39.9Very low37Very low127 Ų127144.9 Ų144.983%0.82575%0.745SS**PPolyproline II helixtrans-81.8130.6164.532.8-30.9000110.3
256S31.1Very low36.6Very low108 Ų108149 Ų14976%0.75575%0.748SS**  trans-129.8141.9172.8550000111.4
257F27.9Very low36.2Very low211 Ų211143.9 Ų143.993%0.92574%0.742SS**  trans-79.7145.6177-77.6-105.2000111.1
258T31.3Very low35.6Very low128 Ų128140.5 Ų140.579%0.78574%0.738SS**  trans-130.6134.816553.50000110.8
259P40.4Very low35.4Very low123 Ų123138.6 Ų138.680%0.79974%0.743SS**  trans-98.1120.2-179.434.1-31.5000114.3
260Y30.2Very low35Very low215 Ų215137.3 Ų137.384%0.84374%0.743SS**  trans24.6117144.8-88.6-90.2000121.6
261R34.5Very low35Very low158 Ų158141.7 Ų141.760%0.59676%0.758SS**  176.1129.597.4-93.1-154.2177.4-156.9-0.3110.9P710R261-P710 PolarHBondContact NH2-O 2.85Å; R261-P710 VanDerWaalsContact NH2-O 3.08Å
262M30.4Very low34.4Very low96 Ų96143 Ų14347%0.47376%0.761SS.*  61135.3102.3-70.1-177.5136.200115.6
263D36.9Very low33.8Very low95 Ų95140.4 Ų140.451%0.50876%0.756SS.*  cis-154.8167.85-111.5-24.8000113S712D263-S712 PolarHBondContact OD2-OG 2.89Å
264D39.6Very low34.9Very low121 Ų121139.3 Ų139.365%0.64775%0.749SS**  trans-77.6168.3174.8-173.953.4000112.8F266D264-F266 PolarHBondContact OD2-N 3.47Å
265P46Very low34.8Very low104 Ų104140.6 Ų140.668%0.67575%0.753SS**  -152.6124.6109.233.8-13.7000118
266F36.9Very low34.7Very low161 Ų161144.7 Ų144.771%0.70675%0.753SS**  trans65.7157140.7-74.8-66.3000118.9D264 L268D264-F266 PolarHBondContact OD2-N 3.47Å; F266-L268 HydrophobicContact CD1-CD2 4.43Å
267C35.9Very low35.4Very low101 Ų101145.1 Ų145.168%0.68275%0.754SS**  cis-157.5148.48.1-116.30000106.6
268L30.9Very low36.1Very low142 Ų142142.7 Ų142.774%0.74375%0.75SS**  cis-150.1163.5-8.3-78.5179.3000108.2F266F266-L268 HydrophobicContact CD1-CD2 4.43Å
269S29.5Very low36.7Very low126 Ų126142.3 Ų142.388%0.88175%0.75SS**  trans169.764132.649.50000114.1
270A30Very low36.4Very low96 Ų96141.4 Ų141.479%0.79375%0.752SS**  trans-153.2119.6164.100000112.2
271L34.7Very low36.4Very low184 Ų184135 Ų13596%0.96375%0.752SS**  trans-123.3102.6159.2-79.6179.7000109.6
272R35.2Very low36.2Very low245 Ų245131.3 Ų131.393%0.92576%0.762SS**  trans-146118.1155.7-148.5170.6-171.5-179.20.1110
273S26.4Very low36.2Very low105 Ų105131.4 Ų131.473%0.73478%0.779SS**  trans-78.7145.1-176.2-171.50000111.9
274P54.8Low36.2Very low99 Ų99134.7 Ų134.764%0.64380%0.796SS**  trans-101.6142.6177.736.9-31.6000113.8
275F28Very low36.4Very low208 Ų208134.2 Ų134.291%0.91280%0.799SS**  trans-144144.9152.7-88.4-79.9000109.5
276Y39.1Very low36.1Very low212 Ų212135.3 Ų135.383%0.83181%0.806SS**  trans-106.5179-174.3-93.6-101.5000110.5
277P45.4Very low36.1Very low118 Ų118136 Ų13677%0.76682%0.816SS**  cis-134-1779.335.2-13.3000117.1
278L41.7Very low36Very low159 Ų159138.6 Ų138.683%0.83282%0.818SS**  trans-107.7156170.5-85.3161.3000111.8
279P44.2Very low36.6Very low121 Ų121137.5 Ų137.579%0.78682%0.819SS**  -145.9171111.539.4-26.4000113.9
280A33.6Very low37.3Very low104 Ų104136.8 Ų136.886%0.8682%0.815SS**  cis-172.4148.2-31.100000109
281G29.8Very low37.5Very low80 Ų80136.9 Ų136.983%0.82582%0.815SS**  trans150.7132.7164.100000117.4
282G30.3Very low37.5Very low80 Ų80134.9 Ų134.983%0.82581%0.81SS**  trans71.278.7163.600000116.5
283A31.6Very low37.3Very low99 Ų99130 Ų13082%0.81880%0.797SS**  81.770.55300000116
284L36.3Very low37.8Very low164 Ų164132.2 Ų132.286%0.85980%0.798SS**  trans-141150.9141.1-79.3-174.4000108.3
285P44.3Very low36.7Very low111 Ų111134.9 Ų134.972%0.72180%0.802SS**PPolyproline II helixtrans-80.5141.9-172.331.3-34.9000113.4
286P39.5Very low37.1Very low127 Ų127131.6 Ų131.683%0.82579%0.793SS**PPolyproline II helixtrans-69.5139.5162.9-12.428.3000110.6
287L36.8Very low37.2Very low175 Ų175127.6 Ų127.692%0.91679%0.793SS**PPolyproline II helixtrans-75.6152.5173.7-77.3165000111.9
288H34.8Very low36.6Very low156 Ų156125.8 Ų125.872%0.72280%0.795SS**PPolyproline II helixtrans-61.6146.6-171.2-173.4-82.3000113.6S290H288-S290 PolarHBondContact O-N 3.06Å
289P42.3Very low36.3Very low118 Ų118124.5 Ų124.577%0.76679%0.794SS**SBendtrans-65.594.8172.328.1-36.1000111.9
290S44.8Very low35.9Very low112 Ų112130.4 Ų130.478%0.78380%0.801SS**  trans-149.972.4163.6-166.20000109.9H288H288-S290 PolarHBondContact O-N 3.06Å
291A34.9Very low35.8Very low97 Ų97135.6 Ų135.680%0.80280%0.8SS**  trans-146.471.9179.500000110.2H293A291-H293 PolarHBondContact O-N 3Å
292V34.1Very low36.3Very low143 Ų143137.5 Ų137.587%0.86780%0.797SS**  trans-68.5116.8168.9-84.60000109.6M294V292-M294 PolarHBondContact O-N 3.16Å; V292-M294 VanDerWaalsContact O-N 3.11Å
293H29.9Very low36.2Very low141 Ų141137.2 Ų137.265%0.65380%0.795SS**  trans-78.693.2-167.8-175.752000112.7A291 H295A291-H293 PolarHBondContact O-N 3Å; H293-H295 AromaticContact CD2-CD2 3.67Å; H293-H295 AromaticContact CD2-NE2 3.86Å; H293-H295 AromaticContact CE1-CE1 3.79Å; H293-H295 AromaticContact CE1-ND1 3.96Å; H293-H295 AromaticContact CE1-NE2 3.82Å; H293-H295 AromaticContact NE2-CD2 3.11Å; H293-H295 PolarHBondContact NE2-CD2 3.16Å; H293-H295 AromaticContact NE2-CE1 3.34Å; H293-H295 PolarHBondContact NE2-CE1 3.24Å; H293-H295 VanDerWaalsContact NE2-CE1 3.34Å; H293-H295 AromaticContact NE2-CG 3.58Å; H293-H295 AromaticContact NE2-ND1 3.71Å; H293-H295 AromaticContact NE2-NE2 2.93Å; H293-H295 PolarHBondContact NE2-NE2 3.37Å; H293-H295 PolarHBondContact O-N 2.87Å
294M37Very low36.4Very low153 Ų153139.4 Ų139.475%0.75479%0.793SS**  trans-85.394.1172.8-77.8-68.1-69.600111.3V292 L296V292-M294 PolarHBondContact O-N 3.16Å; V292-M294 VanDerWaalsContact O-N 3.11Å; M294-L296 HydrophobicContact CE-CD1 3.94Å; M294-L296 PolarHBondContact O-N 3.32Å; M294-L296 VanDerWaalsContact O-N 3.11Å
295H32.7Very low36.2Very low155 Ų155141.1 Ų141.172%0.71879%0.793SS**  trans-68.1103.2166-93.3-54.4000111.1H293H293-H295 AromaticContact CD2-CD2 3.67Å; H293-H295 AromaticContact CD2-NE2 3.86Å; H293-H295 AromaticContact CE1-CE1 3.79Å; H293-H295 AromaticContact CE1-ND1 3.96Å; H293-H295 AromaticContact CE1-NE2 3.82Å; H293-H295 AromaticContact NE2-CD2 3.11Å; H293-H295 PolarHBondContact NE2-CD2 3.16Å; H293-H295 AromaticContact NE2-CE1 3.34Å; H293-H295 PolarHBondContact NE2-CE1 3.24Å; H293-H295 VanDerWaalsContact NE2-CE1 3.34Å; H293-H295 AromaticContact NE2-CG 3.58Å; H293-H295 AromaticContact NE2-ND1 3.71Å; H293-H295 AromaticContact NE2-NE2 2.93Å; H293-H295 PolarHBondContact NE2-NE2 3.37Å; H293-H295 PolarHBondContact O-N 2.87Å
296L35.3Very low35.5Very low138 Ų138139.8 Ų139.872%0.72379%0.792SS**  trans-110.3127151.3-84.782.8000109.1M294M294-L296 HydrophobicContact CE-CD1 3.94Å; M294-L296 PolarHBondContact O-N 3.32Å; M294-L296 VanDerWaalsContact O-N 3.11Å
297P41.3Very low35.1Very low129 Ų129142 Ų14284%0.83879%0.791SS**  trans-90.5148.4174.434.9-32.9000112.2
298G32.8Very low35.4Very low79 Ų79139.5 Ų139.581%0.81479%0.785SS**  trans110.691.2155.600000116.7
299V36.8Very low35.1Very low133 Ų133137.5 Ų137.581%0.80679%0.788SS**  trans-102.6112.1160.2175.50000109.5
300R36.1Very low34.6Very low244 Ų244140.4 Ų140.492%0.92180%0.797SS**  trans-148.7122.6159.8-74.9-60.6-167.2162.84109.5
301Y31.5Very low34Very low214 Ų214141.2 Ų141.284%0.83980%0.802SS**  trans-75.8173.1161.9-85.2-94.1000110.5
302P39.3Very low33.9Very low119 Ų119140.5 Ų140.577%0.77380%0.797SS**  -117.9178.6-62.631.6-13.5000110.7
303G28.3Very low34Very low75 Ų75141.3 Ų141.377%0.77380%0.795SS**  trans-144.515.7-164.800000119
304D36.3Very low34Very low145 Ų145142.9 Ų142.978%0.77580%0.803SS**  trans-85.8142.3170.5-49.5-69.6000109.2
305F31.4Very low34.1Very low199 Ų199140.5 Ų140.587%0.87380%0.801SS**  cis-140.3138.831.3-84.4-108.4000113.3
306A28.9Very low34.5Very low83 Ų83141.9 Ų141.969%0.68681%0.808SS**  trans178.3121.9147.800000110.2
307H31.8Very low34.6Very low174 Ų174138.8 Ų138.881%0.80680%0.798SS**  cis-148.8165.2-15.6-70.2-77.7000107.2
308P42.6Very low34.5Very low123 Ų123137.8 Ų137.880%0.79979%0.791SS**  -145.2122.3124.934-19000114.4
309S30Very low35.2Very low113 Ų113136.1 Ų136.179%0.7977%0.767SS**  trans176101.9138.2-83.30000111.8
310L30.8Very low35.4Very low179 Ų179132.6 Ų132.694%0.93775%0.752SS**  trans-150.999.9143.7-86.6-167.1000109.3
311S32.5Very low36.1Very low129 Ų129126.9 Ų126.990%0.90274%0.738SS**  trans-128.283.8166.4-730000109.2
312A32.6Very low36.9Very low83 Ų83120.1 Ų120.169%0.68672%0.721SS**  trans-168.9117.4156.400000111.2
313L35.7Very low37.2Very low160 Ų160118.8 Ų118.884%0.83870%0.704SS**  trans45.3118.5137.1-53.2177.8000117.6
314Q30.4Very low38.4Very low173 Ų173119 Ų11981%0.80869%0.693SS**  cis-160.8156.445.7-114154.324.200112.8
315S40.1Very low39.3Very low104 Ų104120.7 Ų120.773%0.72769%0.689SS**  trans30.596.5157.258.70000119.7
316E39.5Very low40.7Very low184 Ų184115.9 Ų115.986%0.8667%0.672SS**SBend-176.716291.9-95.6-168.1-164.100112.9
317S37.4Very low41.9Very low72 Ų72117.7 Ų117.750%0.50367%0.666SS.*  trans28.891.6170.7-162.80000119.1C319S317-C319 PolarHBondContact O-N 3.34Å; S317-C319 VanDerWaalsContact O-N 3.11Å
318P40.6Very low43.5Very low108 Ų108114.7 Ų114.770%0.70166%0.655SS**Hα-helixtrans-70.2-5.817729.6-35.9000114.8C322P318-C322 PolarHBondContact O-SG 2.75Å
319C46Very low44.7Very low44 Ų44113.8 Ų113.830%0.29764%0.64SS.*Hα-helixtrans-77.8-39.6-172.6-1650000113S317 F323 M843S317-C319 PolarHBondContact O-N 3.34Å; S317-C319 VanDerWaalsContact O-N 3.11Å; C319-F323 PolarHBondContact O-N 3.25Å; C319-M843 HydrophobicContact CB-CE 3.89Å
320A42.6Very low46.3Very low60 Ų60112.2 Ų112.250%0.49662%0.623SS.*Hα-helixtrans-67.5-41.6-176.400000112.8C322 F323 S324A320-C322 VanDerWaalsContact C-N 3.31Å; A320-C322 PolarHBondContact O-N 3.13Å; A320-F323 PolarHBondContact O-N 2.62Å; A320-F323 VanDerWaalsContact O-N 3.13Å; A320-S324 PolarHBondContact O-N 3.15Å; A320-S324 PolarHBondContact O-OG 3.16Å
321I50.2Low48.3Very low123 Ų123107.5 Ų107.563%0.63160%0.596SS**Hα-helixtrans-62.9-39.7-178.7-59.8174.9000110.8F323 R325I321-F323 PolarHBondContact O-N 2.89Å; I321-R325 WeakPolarHBondContact O-CB 3.22Å; I321-R325 PolarHBondContact O-N 3.34Å
322C48.6Very low49.8Very low72 Ų72106.2 Ų106.249%0.48658%0.579SS.*Hα-helixtrans-62.4-40.5174.8-68.80000112.2P318 A320 L326P318-C322 PolarHBondContact O-SG 2.75Å; A320-C322 VanDerWaalsContact C-N 3.31Å; A320-C322 PolarHBondContact O-N 3.13Å; C322-L326 WeakPolarHBondContact O-CG 3.37Å; C322-L326 PolarHBondContact O-N 3.41Å; C322-L326 VanDerWaalsContact O-N 3.14Å
323F45.7Very low51.4Low92 Ų92109 Ų10940%0.40457%0.571SS.*Hα-helixtrans-68.1-46.6178.5-155.9-84.4000111.9C319 A320 I321 R325 L326 Q327 K845C319-F323 PolarHBondContact O-N 3.25Å; A320-F323 PolarHBondContact O-N 2.62Å; A320-F323 VanDerWaalsContact O-N 3.13Å; I321-F323 PolarHBondContact O-N 2.89Å; F323-R325 VanDerWaalsContact C-N 3.32Å; F323-R325 PolarHBondContact O-N 2.81Å; F323-L326 PolarHBondContact O-N 2.92Å; F323-Q327 WeakPolarHBondContact O-CB 3.21Å; F323-Q327 PolarHBondContact O-N 2.8Å; F323-K845 HydrophobicContact CE2-CD 4.18Å; F323-K845 VanDerWaalsContact CE2-CE 3.48Å; F323-K845 HydrophobicContact CZ-CD 4.41Å
324S52.2Low52.6Low79 Ų79107.2 Ų107.255%0.55256%0.559SS**Hα-helixtrans-62-37.4177-60.50000112.7A320 Q327 L328A320-S324 PolarHBondContact O-N 3.15Å; A320-S324 PolarHBondContact O-OG 3.16Å; S324-Q327 PolarHBondContact O-N 2.72Å; S324-L328 PolarHBondContact O-N 3.3Å
325R56Low54.5Low180 Ų180105.1 Ų105.168%0.67954%0.544SS*.Hα-helixtrans-67.1-43.1177.7-161.6179.480.9-168.94.2112.1I321 F323 L328 E329I321-R325 WeakPolarHBondContact O-CB 3.22Å; I321-R325 PolarHBondContact O-N 3.34Å; F323-R325 VanDerWaalsContact C-N 3.32Å; F323-R325 PolarHBondContact O-N 2.81Å; R325-L328 PolarHBondContact O-N 3.07Å; R325-E329 WeakPolarHBondContact O-CB 3.44Å; R325-E329 PolarHBondContact O-N 3.45Å
326L60.9Low55.9Low98 Ų98105.7 Ų105.751%0.51354%0.535SS..Hα-helixtrans-65.3-38.8175.4-72.6169.2000112C322 F323 E329 D330C322-L326 WeakPolarHBondContact O-CG 3.37Å; C322-L326 PolarHBondContact O-N 3.41Å; C322-L326 VanDerWaalsContact O-N 3.14Å; F323-L326 PolarHBondContact O-N 2.92Å; L326-E329 PolarHBondContact O-N 2.83Å; L326-D330 PolarHBondContact O-N 2.99Å
327Q54.3Low57.2Low122 Ų122100.9 Ų100.957%0.5751%0.509SS*.Hα-helixtrans-64.8-40.7176.9-173.7168.7-19.100111.9F323 S324 E331F323-Q327 WeakPolarHBondContact O-CB 3.21Å; F323-Q327 PolarHBondContact O-N 2.8Å; S324-Q327 PolarHBondContact O-N 2.72Å; Q327-E331 WeakPolarHBondContact O-CB 3.3Å; Q327-E331 PolarHBondContact O-N 2.77Å
328L65.4Low58.7Low111 Ų111103 Ų10358%0.58151%0.511SS*.Hα-helixtrans-68.3-36.2174.2-152.782.7000112.2S324 R325 E331 L332S324-L328 PolarHBondContact O-N 3.3Å; R325-L328 PolarHBondContact O-N 3.07Å; L328-E331 PolarHBondContact O-N 3.42Å; L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 PolarHBondContact O-N 2.89Å
329E66.8Low60.1Low104 Ų104103.4 Ų103.449%0.48650%0.498SS..Hα-helixtrans-65.7-46.6177.1-172173.2-17700111.5R325 L326 L332 R333R325-E329 WeakPolarHBondContact O-CB 3.44Å; R325-E329 PolarHBondContact O-N 3.45Å; L326-E329 PolarHBondContact O-N 2.83Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.31Å; E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 PolarHBondContact O-N 2.86Å
330D64.9Low61.2Low80 Ų80107.3 Ų107.343%0.42851%0.512SS..Hα-helixtrans-71.1-27.8175.8-105.3-35.2000113.2L326 R333 Q334 R337L326-D330 PolarHBondContact O-N 2.99Å; D330-R333 CarbonylContact O-C 2.74Å; D330-R333 PolarHBondContact O-N 3.15Å; D330-R333 IonicContact OD1-NH1 3.9Å; D330-Q334 WeakPolarHBondContact O-CB 3.36Å; D330-Q334 PolarHBondContact O-N 2.88Å; D330-R337 IonicContact OD1-NH2 2.64Å; D330-R337 PolarHBondContact OD1-NH2 3.15Å
331E71.4Confident62.4Low80 Ų80110.1 Ų110.137%0.37451%0.51SS..Hα-helixtrans-69.5-43.3171.6-158.3-159.5136.200111.7Q327 L328 R333 Q334 R335Q327-E331 WeakPolarHBondContact O-CB 3.3Å; Q327-E331 PolarHBondContact O-N 2.77Å; L328-E331 PolarHBondContact O-N 3.42Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.07Å; E331-Q334 WeakPolarHBondContact O-CB 3.37Å; E331-Q334 PolarHBondContact O-N 3.3Å; E331-Q334 VanDerWaalsContact O-N 3.1Å; E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.86Å; E331-R335 IonicContact OE1-CZ 2.76Å; E331-R335 IonicContact OE1-NE 2.7Å; E331-R335 PolarHBondContact OE1-NE 2.89Å; E331-R335 IonicContact OE1-NH2 2.75Å; E331-R335 PolarHBondContact OE1-NH2 2.89Å
332L64.3Low63.3Low102 Ų102110.2 Ų110.253%0.53451%0.508SS..Hα-helixtrans-56.1-44.5169.9-92.3162.6000111.2L328 E329 Q334 R335 E336L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 PolarHBondContact O-N 2.89Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.31Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.94Å; L332-R335 PolarHBondContact O-N 2.73Å; L332-E336 WeakPolarHBondContact O-CB 3.23Å; L332-E336 PolarHBondContact O-N 3.04Å
333R67.2Low64.5Low140 Ų140113.5 Ų113.553%0.52851%0.51SS..Hα-helixtrans-67.1-29176.8-149.6172.5179.5-160.76.8112.5E329 D330 E331 R337E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 PolarHBondContact O-N 2.86Å; D330-R333 CarbonylContact O-C 2.74Å; D330-R333 PolarHBondContact O-N 3.15Å; D330-R333 IonicContact OD1-NH1 3.9Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.07Å; R333-R337 WeakPolarHBondContact O-CD 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.48Å; R333-R337 PolarHBondContact O-N 2.76Å; R333-R337 VanDerWaalsContact O-N 3.11Å; R333-R337 PolarHBondContact O-NH1 2.87Å
334Q60.3Low65.8Low123 Ų123115.4 Ų115.458%0.57552%0.52SS*.Hα-helixtrans-73.3-44.9172.7-176.3163.1-33.600111.5D330 E331 L332 E336 R337 E338D330-Q334 WeakPolarHBondContact O-CB 3.36Å; D330-Q334 PolarHBondContact O-N 2.88Å; E331-Q334 WeakPolarHBondContact O-CB 3.37Å; E331-Q334 PolarHBondContact O-N 3.3Å; E331-Q334 VanDerWaalsContact O-N 3.1Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.94Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; Q334-R337 PolarHBondContact O-N 2.88Å; Q334-E338 WeakPolarHBondContact O-CB 3.17Å; Q334-E338 PolarHBondContact O-N 2.77Å
335R70.9Confident66.7Low130 Ų130118 Ų11849%0.49152%0.518SS..Hα-helixtrans-62.5-31.6172.5-66.6172.7-178.1-130.610.5112E331 L332 R339E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.86Å; E331-R335 IonicContact OE1-CZ 2.76Å; E331-R335 IonicContact OE1-NE 2.7Å; E331-R335 PolarHBondContact OE1-NE 2.89Å; E331-R335 IonicContact OE1-NH2 2.75Å; E331-R335 PolarHBondContact OE1-NH2 2.89Å; L332-R335 PolarHBondContact O-N 2.73Å; R335-R339 WeakPolarHBondContact O-CD 3.36Å; R335-R339 VanDerWaalsContact O-CG 3.27Å; R335-R339 WeakPolarHBondContact O-CG 2.69Å; R335-R339 PolarHBondContact O-N 2.65Å
336E68.4Low67.5Low116 Ų116115 Ų11554%0.54251%0.512SS..Hα-helixtrans-68-52.5172.6-177.1172.9-130.500112.3L332 Q334 E338 R339 E340L332-E336 WeakPolarHBondContact O-CB 3.23Å; L332-E336 PolarHBondContact O-N 3.04Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; E336-E338 PolarHBondContact O-N 3.35Å; E336-E338 VanDerWaalsContact O-N 3.13Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-E340 PolarHBondContact O-N 2.97Å
337R67.9Low68.2Low83 Ų83116.1 Ų116.131%0.31351%0.512SS..Hα-helixtrans-56.9-26.7173.6-65.2164.1-159127.6-9.1112.4D330 R333 Q334 R341D330-R337 IonicContact OD1-NH2 2.64Å; D330-R337 PolarHBondContact OD1-NH2 3.15Å; R333-R337 WeakPolarHBondContact O-CD 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.48Å; R333-R337 PolarHBondContact O-N 2.76Å; R333-R337 VanDerWaalsContact O-N 3.11Å; R333-R337 PolarHBondContact O-NH1 2.87Å; Q334-R337 PolarHBondContact O-N 2.88Å; R337-R341 VanDerWaalsContact O-CG 3.32Å; R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.25Å; R337-R341 PolarHBondContact O-NH1 3.3Å; R337-R341 VanDerWaalsContact O-NH1 3.16Å
338E68.6Low69Low117 Ų117116.4 Ų116.455%0.54751%0.514SS..Hα-helixtrans-76.4-48.5175.9-170.8155-127.900112.5Q334 E336 E340 R341 E342Q334-E338 WeakPolarHBondContact O-CB 3.17Å; Q334-E338 PolarHBondContact O-N 2.77Å; E336-E338 PolarHBondContact O-N 3.35Å; E336-E338 VanDerWaalsContact O-N 3.13Å; E338-E340 PolarHBondContact O-N 2.95Å; E338-R341 PolarHBondContact O-N 2.7Å; E338-E342 PolarHBondContact O-N 3.21Å
339R70.3Confident69.4Low116 Ų116118.7 Ų118.744%0.43852%0.515SS..Hα-helixtrans-59.7-32.2171.8-68.2162.5-176.5152.6-3.5112.6R335 E336 E342 R343R335-R339 WeakPolarHBondContact O-CD 3.36Å; R335-R339 VanDerWaalsContact O-CG 3.27Å; R335-R339 WeakPolarHBondContact O-CG 2.69Å; R335-R339 PolarHBondContact O-N 2.65Å; E336-R339 PolarHBondContact O-N 3.17Å; R339-E342 PolarHBondContact O-N 2.98Å; R339-R343 WeakPolarHBondContact O-CD 3.33Å; R339-R343 VanDerWaalsContact O-CG 3.23Å; R339-R343 WeakPolarHBondContact O-CG 3.02Å; R339-R343 PolarHBondContact O-N 3.33Å
340E67.6Low69.8Low126 Ų126120 Ų12059%0.58952%0.521SS*.Hα-helixtrans-64.7-48.2174.4-172.8171.4-137.900111.7E336 E338 E342 R343 E344E336-E340 PolarHBondContact O-N 2.97Å; E338-E340 PolarHBondContact O-N 2.95Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 3.23Å; E340-E344 PolarHBondContact O-N 2.65Å
341R68.8Low70.1Confident118 Ų118122.5 Ų122.545%0.44552%0.524SS..Hα-helixtrans-65.3-27.5174.3-65.1174.1-156116.8-7.7113R337 E338 R345R337-R341 VanDerWaalsContact O-CG 3.32Å; R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.25Å; R337-R341 PolarHBondContact O-NH1 3.3Å; R337-R341 VanDerWaalsContact O-NH1 3.16Å; E338-R341 PolarHBondContact O-N 2.7Å; R341-R345 WeakPolarHBondContact O-CD 3.38Å; R341-R345 VanDerWaalsContact O-CG 3.27Å; R341-R345 WeakPolarHBondContact O-CG 3.19Å; R341-R345 PolarHBondContact O-N 2.67Å
342E69.4Low70.2Confident126 Ų126124.4 Ų124.459%0.58953%0.533SS*.Hα-helixtrans-69.2-48.6172.7-172.9167.3-137.100111.5E338 R339 E340 E344 R345 E346E338-E342 PolarHBondContact O-N 3.21Å; R339-E342 PolarHBondContact O-N 2.98Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact C-N 3.27Å; E342-E344 PolarHBondContact O-N 3.27Å; E342-R345 PolarHBondContact O-N 2.66Å; E342-E346 PolarHBondContact O-N 3.07Å
343R74.4Confident70.8Confident140 Ų140122.2 Ų122.253%0.52853%0.529SS..Hα-helixtrans-61.5-32.7173.7-66.7161.3-172.9154.1-2.8112.9R339 E340 E346 K347R339-R343 WeakPolarHBondContact O-CD 3.33Å; R339-R343 VanDerWaalsContact O-CG 3.23Å; R339-R343 WeakPolarHBondContact O-CG 3.02Å; R339-R343 PolarHBondContact O-N 3.33Å; E340-R343 PolarHBondContact O-N 3.23Å; R343-E346 PolarHBondContact O-N 3.16Å; R343-K347 WeakPolarHBondContact O-CB 3.47Å; R343-K347 WeakPolarHBondContact O-CG 3.2Å; R343-K347 PolarHBondContact O-N 2.82Å
344E71.1Confident71.2Confident132 Ų132122.1 Ų122.162%0.61754%0.535SS*.Hα-helixtrans-65.2-45.7175.5-168.5173.3-144.900111.1E340 E342 K347 E348E340-E344 PolarHBondContact O-N 2.65Å; E342-E344 VanDerWaalsContact C-N 3.27Å; E342-E344 PolarHBondContact O-N 3.27Å; E344-K347 PolarHBondContact O-N 3.08Å; E344-E348 PolarHBondContact O-N 3.06Å
345R72.5Confident71.8Confident133 Ų133121.9 Ų121.950%0.50253%0.529SS..Hα-helixtrans-67-34.1173.7-66.3163.4-175.1147.3-3.6112.8R341 E342 E348 R349R341-R345 WeakPolarHBondContact O-CD 3.38Å; R341-R345 VanDerWaalsContact O-CG 3.27Å; R341-R345 WeakPolarHBondContact O-CG 3.19Å; R341-R345 PolarHBondContact O-N 2.67Å; E342-R345 PolarHBondContact O-N 2.66Å; R345-E348 WeakPolarHBondContact O-CB 3.37Å; R345-E348 PolarHBondContact O-N 3.18Å; R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 2.74Å; R345-R349 VanDerWaalsContact O-N 3.08Å
346E71.8Confident71.8Confident119 Ų119121.8 Ų121.856%0.55653%0.534SS*.Hα-helixtrans-64.1-47.1174.4-172.3172-138.500110.8E342 R343 E348 R349 E350E342-E346 PolarHBondContact O-N 3.07Å; R343-E346 PolarHBondContact O-N 3.16Å; E346-E348 PolarHBondContact O-N 2.58Å; E346-R349 PolarHBondContact O-N 3.03Å; E346-E350 WeakPolarHBondContact O-CB 3.41Å; E346-E350 PolarHBondContact O-N 2.98Å
347K75.4Confident72.2Confident120 Ų120121.8 Ų121.852%0.52253%0.532SS..Hα-helixtrans-65.2-23.1172.5-74.1-177.4174.7-176.10113.8R343 E344 R351R343-K347 WeakPolarHBondContact O-CB 3.47Å; R343-K347 WeakPolarHBondContact O-CG 3.2Å; R343-K347 PolarHBondContact O-N 2.82Å; E344-K347 PolarHBondContact O-N 3.08Å; K347-R351 VanDerWaalsContact C-NH1 3.29Å; K347-R351 WeakPolarHBondContact O-CG 3.39Å; K347-R351 PolarHBondContact O-N 3.06Å; K347-R351 PolarHBondContact O-NH1 2.69Å
348E71.4Confident72.3Confident129 Ų129123.8 Ų123.860%0.60355%0.545SS*.Hα-helixtrans-70.7-48.9172.2-170.7167.6-141.400110.7E344 R345 E346 E350 R351 E352E344-E348 PolarHBondContact O-N 3.06Å; R345-E348 WeakPolarHBondContact O-CB 3.37Å; R345-E348 PolarHBondContact O-N 3.18Å; E346-E348 PolarHBondContact O-N 2.58Å; E348-E350 PolarHBondContact O-N 2.72Å; E348-R351 PolarHBondContact O-N 3.36Å; E348-E352 PolarHBondContact O-N 3.33Å; E348-E352 VanDerWaalsContact O-N 3.09Å
349R74.9Confident72.5Confident159 Ų159124.3 Ų124.360%0.654%0.542SS*.Hα-helixtrans-61.9-38.6174.2-63.4170.6-163.2149.31.8112.8R345 E346 E352 A353R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 2.74Å; R345-R349 VanDerWaalsContact O-N 3.08Å; E346-R349 PolarHBondContact O-N 3.03Å; R349-E352 PolarHBondContact O-N 3.17Å; R349-E352 VanDerWaalsContact O-N 3.15Å; R349-A353 WeakPolarHBondContact O-CB 3.44Å; R349-A353 PolarHBondContact O-N 3.45Å
350E75.3Confident72.5Confident132 Ų132124.5 Ų124.562%0.61755%0.548SS*.Hα-helixtrans-60.7-45.9178.1-173.7175.1-144.300111.4E346 E348 E352 A353 E354E346-E350 WeakPolarHBondContact O-CB 3.41Å; E346-E350 PolarHBondContact O-N 2.98Å; E348-E350 PolarHBondContact O-N 2.72Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 3Å; E350-A353 PolarHBondContact O-N 2.82Å; E350-E354 PolarHBondContact O-N 2.94Å
351R70.8Confident72.6Confident132 Ų132123.6 Ų123.650%0.49854%0.539SS..Hα-helixtrans-67.7-26.2174.2-66.2179.9-162.2105.3-20.1113.3K347 E348 R355K347-R351 VanDerWaalsContact C-NH1 3.29Å; K347-R351 WeakPolarHBondContact O-CG 3.39Å; K347-R351 PolarHBondContact O-N 3.06Å; K347-R351 PolarHBondContact O-NH1 2.69Å; E348-R351 PolarHBondContact O-N 3.36Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.34Å; R351-R355 PolarHBondContact O-NE 3.45Å
352E72.8Confident72.7Confident120 Ų120123.9 Ų123.956%0.56155%0.545SS*.Hα-helixtrans-74.2-45.5174.3-172.9163-133.800111.7E348 R349 E350 E354 R355 E356E348-E352 PolarHBondContact O-N 3.33Å; E348-E352 VanDerWaalsContact O-N 3.09Å; R349-E352 PolarHBondContact O-N 3.17Å; R349-E352 VanDerWaalsContact O-N 3.15Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 3Å; E352-E354 VanDerWaalsContact C-N 3.28Å; E352-E354 PolarHBondContact O-N 2.99Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-E356 PolarHBondContact O-N 3.36Å
353A77.2Confident72.8Confident55 Ų55124 Ų12446%0.45554%0.54SS..Hα-helixtrans-62.3-33.5173.100000112.4R349 E350 E356 K357R349-A353 WeakPolarHBondContact O-CB 3.44Å; R349-A353 PolarHBondContact O-N 3.45Å; E350-A353 PolarHBondContact O-N 2.82Å; A353-E356 PolarHBondContact O-N 2.9Å; A353-K357 VanDerWaalsContact O-CB 3.27Å; A353-K357 WeakPolarHBondContact O-CB 3.34Å; A353-K357 PolarHBondContact O-N 2.59Å
354E75.5Confident72.8Confident138 Ų138122.9 Ų122.965%0.64554%0.541SS*.Hα-helixtrans-64-45.8173.3-174.6165.7-135.400112E350 E352 E356 K357 E358E350-E354 PolarHBondContact O-N 2.94Å; E352-E354 VanDerWaalsContact C-N 3.28Å; E352-E354 PolarHBondContact O-N 2.99Å; E354-E356 VanDerWaalsContact C-N 3.33Å; E354-E356 PolarHBondContact O-N 3.14Å; E354-K357 CarbonylContact O-C 3.59Å; E354-K357 PolarHBondContact O-N 3.11Å; E354-E358 PolarHBondContact O-N 3.13Å
355R71.8Confident72.6Confident118 Ų118122.6 Ų122.645%0.44554%0.535SS..Hα-helixtrans-64.5-33.8174.3-67.3178.7-137.5116.1-3.3112.8R351 E352 R359R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.34Å; R351-R355 PolarHBondContact O-NE 3.45Å; E352-R355 PolarHBondContact O-N 3.25Å; R355-R359 WeakPolarHBondContact O-CD 3.44Å; R355-R359 WeakPolarHBondContact O-CG 3.43Å; R355-R359 PolarHBondContact O-N 2.9Å
356E71.8Confident72.5Confident128 Ų128122.4 Ų122.460%0.59854%0.539SS*.Hα-helixtrans-66.6-45.8172.8-176.3167.5-135.200111.3E352 A353 E354 E358 R359 E360E352-E356 PolarHBondContact O-N 3.36Å; A353-E356 PolarHBondContact O-N 2.9Å; E354-E356 VanDerWaalsContact C-N 3.33Å; E354-E356 PolarHBondContact O-N 3.14Å; E356-E358 PolarHBondContact O-N 2.81Å; E356-R359 PolarHBondContact O-N 3.02Å; E356-E360 PolarHBondContact O-N 3.36Å
357K76.1Confident72.5Confident116 Ų116123 Ų12350%0.50454%0.536SS..Hα-helixtrans-69.4-18.7177.6-159173.8-172.1168.90113.3A353 E354 R361A353-K357 VanDerWaalsContact O-CB 3.27Å; A353-K357 WeakPolarHBondContact O-CB 3.34Å; A353-K357 PolarHBondContact O-N 2.59Å; E354-K357 CarbonylContact O-C 3.59Å; E354-K357 PolarHBondContact O-N 3.11Å; K357-R361 VanDerWaalsContact C-NH1 3.32Å; K357-R361 VanDerWaalsContact O-CG 3.29Å; K357-R361 WeakPolarHBondContact O-CG 3.33Å; K357-R361 PolarHBondContact O-N 2.73Å; K357-R361 PolarHBondContact O-NH1 3.07Å
358E70.3Confident72.4Confident125 Ų125123.5 Ų123.558%0.58454%0.54SS*.Hα-helixtrans-71.8-51.4167.1-177.6166.6-133.400111.1E354 E356 E360 R361 E362E354-E358 PolarHBondContact O-N 3.13Å; E356-E358 PolarHBondContact O-N 2.81Å; E358-E360 VanDerWaalsContact C-N 3.25Å; E358-E360 PolarHBondContact O-N 2.83Å; E358-R361 PolarHBondContact O-N 3.21Å; E358-R361 VanDerWaalsContact O-N 3.14Å; E358-E362 PolarHBondContact O-N 2.78Å
359R72.4Confident72.3Confident128 Ų128125.3 Ų125.348%0.48354%0.542SS..Hα-helixtrans-61.4-30.9176.4-64.7163.1-175.5150.9-3.3112.9R355 E356 R363R355-R359 WeakPolarHBondContact O-CD 3.44Å; R355-R359 WeakPolarHBondContact O-CG 3.43Å; R355-R359 PolarHBondContact O-N 2.9Å; E356-R359 PolarHBondContact O-N 3.02Å; R359-R363 WeakPolarHBondContact O-CD 3.46Å; R359-R363 VanDerWaalsContact O-CG 3.31Å; R359-R363 WeakPolarHBondContact O-CG 3.32Å; R359-R363 PolarHBondContact O-N 3.03Å; R359-R363 VanDerWaalsContact O-N 3.13Å
360E70.9Confident72.2Confident120 Ų120124.2 Ų124.256%0.56154%0.544SS*.Hα-helixtrans-65.5-48.7172.9-173.4174.2-137.900111.7E356 E358 E362 R363 E364E356-E360 PolarHBondContact O-N 3.36Å; E358-E360 VanDerWaalsContact C-N 3.25Å; E358-E360 PolarHBondContact O-N 2.83Å; E360-E362 VanDerWaalsContact C-N 3.25Å; E360-E362 PolarHBondContact O-N 2.92Å; E360-R363 PolarHBondContact O-N 3.32Å; E360-E364 PolarHBondContact O-N 3.34Å
361R70.4Confident72.3Confident108 Ų108123.2 Ų123.241%0.40854%0.537SS..Hα-helixtrans-64.6-28.4175.4-66.7174.8-167.9115.1-24.4112.7K357 E358 R365K357-R361 VanDerWaalsContact C-NH1 3.32Å; K357-R361 VanDerWaalsContact O-CG 3.29Å; K357-R361 WeakPolarHBondContact O-CG 3.33Å; K357-R361 PolarHBondContact O-N 2.73Å; K357-R361 PolarHBondContact O-NH1 3.07Å; E358-R361 PolarHBondContact O-N 3.21Å; E358-R361 VanDerWaalsContact O-N 3.14Å; R361-R365 WeakPolarHBondContact O-CD 3.27Å; R361-R365 VanDerWaalsContact O-CG 3.24Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.96Å; R361-R365 VanDerWaalsContact O-N 3.13Å
362E70.4Confident72.3Confident124 Ų124122.9 Ų122.958%0.57954%0.541SS*.Hα-helixtrans-65.9-51.1172.6-175.5167.8-132.200111.5E358 E360 E364 R365 E366E358-E362 PolarHBondContact O-N 2.78Å; E360-E362 VanDerWaalsContact C-N 3.25Å; E360-E362 PolarHBondContact O-N 2.92Å; E362-E364 PolarHBondContact O-N 2.96Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.17Å; E362-E366 PolarHBondContact O-N 3.33Å
363R72.1Confident72.6Confident127 Ų127121 Ų12148%0.47954%0.535SS..Hα-helixtrans-62.7-27.3174.5-65.8165-173.5146.2-2.6113.1R359 E360 R367R359-R363 WeakPolarHBondContact O-CD 3.46Å; R359-R363 VanDerWaalsContact O-CG 3.31Å; R359-R363 WeakPolarHBondContact O-CG 3.32Å; R359-R363 PolarHBondContact O-N 3.03Å; R359-R363 VanDerWaalsContact O-N 3.13Å; E360-R363 PolarHBondContact O-N 3.32Å; R363-R367 VanDerWaalsContact O-CG 3.27Å; R363-R367 WeakPolarHBondContact O-CG 2.92Å; R363-R367 PolarHBondContact O-N 3.01Å
364E73.3Confident72.6Confident117 Ų117124.6 Ų124.655%0.54754%0.542SS..Hα-helixtrans-68.4-48.8172.3-172.3169.1-136.900111.5E360 E362 E366 R367 E368E360-E364 PolarHBondContact O-N 3.34Å; E362-E364 PolarHBondContact O-N 2.96Å; E364-E366 VanDerWaalsContact C-N 3.29Å; E364-E366 PolarHBondContact O-N 3.01Å; E364-R367 PolarHBondContact O-N 3.29Å; E364-E368 PolarHBondContact O-N 3.11Å
365R67.9Low72.5Confident127 Ų127123.9 Ų123.948%0.47953%0.533SS..Hα-helixtrans-62.9-33.4175.3-65.6164.1-165.5139.5-3.8112.7R361 E362 E368 R369R361-R365 WeakPolarHBondContact O-CD 3.27Å; R361-R365 VanDerWaalsContact O-CG 3.24Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.96Å; R361-R365 VanDerWaalsContact O-N 3.13Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.17Å; R365-E368 PolarHBondContact O-N 3.1Å; R365-R369 WeakPolarHBondContact O-CG 3.37Å; R365-R369 PolarHBondContact O-N 3.35Å
366E70.9Confident72.6Confident128 Ų128123.7 Ų123.760%0.59854%0.537SS*.Hα-helixtrans-61.3-48.3173.4-173.8173.5-139.700111.2E362 E364 E368 R369 E370E362-E366 PolarHBondContact O-N 3.33Å; E364-E366 VanDerWaalsContact C-N 3.29Å; E364-E366 PolarHBondContact O-N 3.01Å; E366-E368 VanDerWaalsContact C-N 3.29Å; E366-E368 PolarHBondContact O-N 3.16Å; E366-R369 PolarHBondContact O-N 3.23Å; E366-E370 PolarHBondContact O-N 2.84Å
367R72.1Confident72.8Confident132 Ų132123.5 Ų123.550%0.49853%0.531SS..Hα-helixtrans-66-27.4174.9-65.3168.4-163.9135-3.1113.4R363 E364 K371R363-R367 VanDerWaalsContact O-CG 3.27Å; R363-R367 WeakPolarHBondContact O-CG 2.92Å; R363-R367 PolarHBondContact O-N 3.01Å; E364-R367 PolarHBondContact O-N 3.29Å; R367-K371 WeakPolarHBondContact O-CD 3.25Å; R367-K371 VanDerWaalsContact O-CG 3.22Å; R367-K371 WeakPolarHBondContact O-CG 2.88Å; R367-K371 PolarHBondContact O-N 3.23Å
368E72.4Confident72.7Confident130 Ų130124 Ų12461%0.60754%0.535SS*.Hα-helixtrans-69.7-45.9170.7-73.6-15911700111.9E364 R365 E366 E370 K371 E372E364-E368 PolarHBondContact O-N 3.11Å; R365-E368 PolarHBondContact O-N 3.1Å; E366-E368 VanDerWaalsContact C-N 3.29Å; E366-E368 PolarHBondContact O-N 3.16Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.79Å; E368-K371 PolarHBondContact O-N 2.73Å; E368-E372 WeakPolarHBondContact O-CB 2.98Å; E368-E372 PolarHBondContact O-N 3.13Å
369R70Confident72.8Confident167 Ų167123.7 Ų123.763%0.6353%0.529SS*.Hα-helixtrans-60.8-40.6175.7-70.3169.6-176.8172.71.7112.1R365 E366 E372 L373R365-R369 WeakPolarHBondContact O-CG 3.37Å; R365-R369 PolarHBondContact O-N 3.35Å; E366-R369 PolarHBondContact O-N 3.23Å; R369-E372 PolarHBondContact O-N 3.04Å; R369-L373 PolarHBondContact O-N 3.04Å
370E72.2Confident73Confident137 Ų137123 Ų12364%0.6453%0.531SS*.Hα-helixtrans-61.8-46.2176.3-172.8174.9-142.500111.4E366 E368 E372 L373 E374E366-E370 PolarHBondContact O-N 2.84Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.79Å; E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 3.01Å; E370-L373 PolarHBondContact O-N 2.69Å; E370-E374 PolarHBondContact O-N 2.98Å
371K77.1Confident73.3Confident110 Ų110123.1 Ų123.148%0.47853%0.526SS..Hα-helixtrans-66-27.8173.6-69.7168.1-173.1172.70113R367 E368 R375R367-K371 WeakPolarHBondContact O-CD 3.25Å; R367-K371 VanDerWaalsContact O-CG 3.22Å; R367-K371 WeakPolarHBondContact O-CG 2.88Å; R367-K371 PolarHBondContact O-N 3.23Å; E368-K371 PolarHBondContact O-N 2.73Å; K371-R375 VanDerWaalsContact O-CG 3.31Å; K371-R375 WeakPolarHBondContact O-CG 3.19Å; K371-R375 PolarHBondContact O-N 3.13Å; K371-R375 PolarHBondContact O-NH1 2.94Å
372E71.8Confident73.5Confident125 Ų125123.6 Ų123.658%0.58453%0.533SS*.Hα-helixtrans-71.4-47.3173.9-171.8158-133.700111.2E368 R369 E370 E374 R375 E376E368-E372 WeakPolarHBondContact O-CB 2.98Å; E368-E372 PolarHBondContact O-N 3.13Å; R369-E372 PolarHBondContact O-N 3.04Å; E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 3.01Å; E372-E374 VanDerWaalsContact C-N 3.29Å; E372-E374 PolarHBondContact O-N 2.85Å; E372-R375 PolarHBondContact O-N 3.4Å; E372-E376 PolarHBondContact O-N 3.02Å
373L79.2Confident73.8Confident81 Ų81123.9 Ų123.942%0.42453%0.529SS..Hα-helixtrans-59.6-36.6171.8-104.679.3000112.7R369 E370 E376 R377R369-L373 PolarHBondContact O-N 3.04Å; E370-L373 PolarHBondContact O-N 2.69Å; L373-E376 PolarHBondContact O-N 3.36Å; L373-R377 WeakPolarHBondContact O-CB 3.46Å; L373-R377 VanDerWaalsContact O-CG 3.31Å; L373-R377 WeakPolarHBondContact O-CG 3.29Å; L373-R377 PolarHBondContact O-N 2.64Å
374E76.3Confident74Confident130 Ų130123.7 Ų123.761%0.60753%0.534SS*.Hα-helixtrans-63.3-49.1175.6-175171.4-133.300111.4E370 E372 E376 R377 E378E370-E374 PolarHBondContact O-N 2.98Å; E372-E374 VanDerWaalsContact C-N 3.29Å; E372-E374 PolarHBondContact O-N 2.85Å; E374-E376 VanDerWaalsContact C-N 3.28Å; E374-E376 PolarHBondContact O-N 3.38Å; E374-R377 PolarHBondContact O-N 3.47Å; E374-E378 PolarHBondContact O-N 2.64Å
375R72.4Confident74.2Confident123 Ų123123.9 Ų123.946%0.46453%0.529SS..Hα-helixtrans-66.3-27.7175.1-66.2-177.5-145.6100.8-20.6112.8K371 E372 R379K371-R375 VanDerWaalsContact O-CG 3.31Å; K371-R375 WeakPolarHBondContact O-CG 3.19Å; K371-R375 PolarHBondContact O-N 3.13Å; K371-R375 PolarHBondContact O-NH1 2.94Å; E372-R375 PolarHBondContact O-N 3.4Å; R375-R379 VanDerWaalsContact C-NH1 3.33Å; R375-R379 WeakPolarHBondContact O-CG 3.01Å; R375-R379 PolarHBondContact O-N 2.7Å; R375-R379 VanDerWaalsContact O-N 3.15Å; R375-R379 PolarHBondContact O-NH1 2.72Å
376E74.5Confident74.6Confident114 Ų114123.7 Ų123.753%0.53353%0.534SS..Hα-helixtrans-69.8-49.3172.7-175.4164.1-134.100111.3E372 L373 E374 E378 R379 E380E372-E376 PolarHBondContact O-N 3.02Å; L373-E376 PolarHBondContact O-N 3.36Å; E374-E376 VanDerWaalsContact C-N 3.28Å; E374-E376 PolarHBondContact O-N 3.38Å; E376-E378 PolarHBondContact O-N 2.8Å; E376-R379 CarbonylContact O-C 3.59Å; E376-R379 PolarHBondContact O-N 3.11Å; E376-R379 VanDerWaalsContact O-N 3.13Å; E376-E380 PolarHBondContact O-N 3.2Å
377R75.8Confident74.9Confident125 Ų125124.1 Ų124.147%0.47253%0.53SS..Hα-helixtrans-61-29.8173.7-70.6169.8179.1145-3.4112.7L373 E374 R381L373-R377 WeakPolarHBondContact O-CB 3.46Å; L373-R377 VanDerWaalsContact O-CG 3.31Å; L373-R377 WeakPolarHBondContact O-CG 3.29Å; L373-R377 PolarHBondContact O-N 2.64Å; E374-R377 PolarHBondContact O-N 3.47Å; R377-R381 WeakPolarHBondContact O-CD 3.23Å; R377-R381 WeakPolarHBondContact O-CG 3.25Å; R377-R381 PolarHBondContact O-N 3.39Å; R377-R381 VanDerWaalsContact O-N 3.1Å
378E74.6Confident75.3Confident126 Ų126123.7 Ų123.759%0.58953%0.534SS*.Hα-helixtrans-67.1-49172.1-173.3168.5-136.300111.8E374 E376 E380 R381 E382E374-E378 PolarHBondContact O-N 2.64Å; E376-E378 PolarHBondContact O-N 2.8Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.16Å; E378-R381 PolarHBondContact O-N 2.99Å; E378-E382 PolarHBondContact O-N 3.34Å
379R73Confident75.7Confident119 Ų119125.1 Ų125.145%0.44953%0.534SS..Hα-helixtrans-65-30.9174.8-67-179.6-153.6104.9-18.3112.9R375 E376 E382 R383R375-R379 VanDerWaalsContact C-NH1 3.33Å; R375-R379 WeakPolarHBondContact O-CG 3.01Å; R375-R379 PolarHBondContact O-N 2.7Å; R375-R379 VanDerWaalsContact O-N 3.15Å; R375-R379 PolarHBondContact O-NH1 2.72Å; E376-R379 CarbonylContact O-C 3.59Å; E376-R379 PolarHBondContact O-N 3.11Å; E376-R379 VanDerWaalsContact O-N 3.13Å; R379-E382 PolarHBondContact O-N 3.39Å; R379-R383 VanDerWaalsContact O-CG 3.31Å; R379-R383 WeakPolarHBondContact O-CG 3.16Å; R379-R383 PolarHBondContact O-N 3.44Å
380E75.3Confident76.3Confident114 Ų114123.6 Ų123.653%0.53353%0.534SS..Hα-helixtrans-65.1-48.8173.1-176173.2-138.600111.1E376 E378 E382 R383 E384E376-E380 PolarHBondContact O-N 3.2Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.16Å; E380-E382 PolarHBondContact O-N 3.33Å; E380-R383 CarbonylContact O-C 3.58Å; E380-R383 PolarHBondContact O-N 3.1Å; E380-E384 WeakPolarHBondContact O-CB 3.44Å; E380-E384 PolarHBondContact O-N 3.41Å
381R77.6Confident76.8Confident121 Ų121123.1 Ų123.146%0.45754%0.535SS..Hα-helixtrans-64.4-25.4173.2-66.5166.9-168.6136.1-6.3112.7R377 E378 R385R377-R381 WeakPolarHBondContact O-CD 3.23Å; R377-R381 WeakPolarHBondContact O-CG 3.25Å; R377-R381 PolarHBondContact O-N 3.39Å; R377-R381 VanDerWaalsContact O-N 3.1Å; E378-R381 PolarHBondContact O-N 2.99Å; R381-R385 WeakPolarHBondContact O-CD 2.69Å; R381-R385 WeakPolarHBondContact O-CG 3.46Å; R381-R385 PolarHBondContact O-N 2.65Å; R381-R385 VanDerWaalsContact O-N 3.13Å; R381-R385 PolarHBondContact O-NH1 3.39Å
382E75.7Confident76.8Confident118 Ų118124.3 Ų124.355%0.55154%0.542SS*.Hα-helixtrans-69.9-49.3170.7-172.4167.5-134.100111.3E378 R379 E380 E384 R385 E386E378-E382 PolarHBondContact O-N 3.34Å; R379-E382 PolarHBondContact O-N 3.39Å; E380-E382 PolarHBondContact O-N 3.33Å; E382-E384 VanDerWaalsContact C-N 3.25Å; E382-E384 PolarHBondContact O-N 2.82Å; E382-R385 CarbonylContact O-C 3.59Å; E382-R385 PolarHBondContact O-N 3.47Å; E382-E386 WeakPolarHBondContact O-CB 3.29Å; E382-E386 PolarHBondContact O-N 2.88Å
383R75Confident77.3Confident131 Ų131121 Ų12149%0.49454%0.536SS..Hα-helixtrans-64.7-25.7174-67.5167.5-174.3147.4-2.9113.6R379 E380 R387R379-R383 VanDerWaalsContact O-CG 3.31Å; R379-R383 WeakPolarHBondContact O-CG 3.16Å; R379-R383 PolarHBondContact O-N 3.44Å; E380-R383 CarbonylContact O-C 3.58Å; E380-R383 PolarHBondContact O-N 3.1Å; R383-R387 WeakPolarHBondContact O-CB 3.5Å; R383-R387 WeakPolarHBondContact O-CG 3.32Å; R383-R387 PolarHBondContact O-N 2.81Å; R383-R387 VanDerWaalsContact O-N 3.13Å; R383-R387 PolarHBondContact O-NE 2.93Å
384E76.8Confident77.3Confident122 Ų122120.4 Ų120.457%0.5754%0.539SS*.Hα-helixtrans-70.1-50.6171-173.8175.9-141.700110.6E380 E382 E386 R387 E388E380-E384 WeakPolarHBondContact O-CB 3.44Å; E380-E384 PolarHBondContact O-N 3.41Å; E382-E384 VanDerWaalsContact C-N 3.25Å; E382-E384 PolarHBondContact O-N 2.82Å; E384-E386 VanDerWaalsContact C-N 3.27Å; E384-E386 PolarHBondContact O-N 3.41Å; E384-R387 PolarHBondContact O-N 2.93Å; E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.3Å
385R77.4Confident77.7Confident122 Ų122121.2 Ų121.246%0.4654%0.54SS..Hα-helixtrans-63.9-30.4174.5-67.7171.2-160.1122.1-11112.9R381 E382 R389R381-R385 WeakPolarHBondContact O-CD 2.69Å; R381-R385 WeakPolarHBondContact O-CG 3.46Å; R381-R385 PolarHBondContact O-N 2.65Å; R381-R385 VanDerWaalsContact O-N 3.13Å; R381-R385 PolarHBondContact O-NH1 3.39Å; E382-R385 CarbonylContact O-C 3.59Å; E382-R385 PolarHBondContact O-N 3.47Å; R385-R389 WeakPolarHBondContact O-CB 3.48Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 WeakPolarHBondContact O-CG 3.46Å; R385-R389 PolarHBondContact O-N 3.05Å
386E76.9Confident78Confident122 Ų122118.2 Ų118.257%0.5754%0.542SS*.Hα-helixtrans-66.3-48.8172.7-174.3169.6-130.900111.1E382 E384 E388 R389 E390E382-E386 WeakPolarHBondContact O-CB 3.29Å; E382-E386 PolarHBondContact O-N 2.88Å; E384-E386 VanDerWaalsContact C-N 3.27Å; E384-E386 PolarHBondContact O-N 3.41Å; E386-E388 VanDerWaalsContact C-N 3.32Å; E386-E388 PolarHBondContact O-N 2.95Å; E386-R389 WeakPolarHBondContact O-CB 3.33Å; E386-R389 PolarHBondContact O-N 3.01Å; E386-E390 WeakPolarHBondContact O-CB 3.32Å; E386-E390 PolarHBondContact O-N 3.42Å
387R77.8Confident78.1Confident137 Ų137119.4 Ų119.452%0.51755%0.549SS..Hα-helixtrans-65.4-32.4174.1-74176-71.2176.92112.8R383 E384 E390 L391R383-R387 WeakPolarHBondContact O-CB 3.5Å; R383-R387 WeakPolarHBondContact O-CG 3.32Å; R383-R387 PolarHBondContact O-N 2.81Å; R383-R387 VanDerWaalsContact O-N 3.13Å; R383-R387 PolarHBondContact O-NE 2.93Å; E384-R387 PolarHBondContact O-N 2.93Å; R387-E390 PolarHBondContact O-N 3.44Å; R387-L391 WeakPolarHBondContact O-CB 3.5Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.26Å; R387-L391 PolarHBondContact O-N 3.34Å
388E79.4Confident78.2Confident124 Ų124119.2 Ų119.258%0.57955%0.553SS**Hα-helixtrans-65.5-43.8171.1-172.6-178.1-154.700111.4E384 E386 L391 Q392E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.3Å; E386-E388 VanDerWaalsContact C-N 3.32Å; E386-E388 PolarHBondContact O-N 2.95Å; E388-L391 PolarHBondContact O-N 3.14Å; E388-Q392 WeakPolarHBondContact O-CB 3.39Å; E388-Q392 PolarHBondContact O-N 2.92Å
389R81.7Confident78Confident160 Ų160118.6 Ų118.660%0.60455%0.554SS**Hα-helixtrans-63.8-39.6173.6-71.8161.4-173.71590.3112R385 E386 Q392 A393R385-R389 WeakPolarHBondContact O-CB 3.48Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 WeakPolarHBondContact O-CG 3.46Å; R385-R389 PolarHBondContact O-N 3.05Å; E386-R389 WeakPolarHBondContact O-CB 3.33Å; E386-R389 PolarHBondContact O-N 3.01Å; R389-Q392 PolarHBondContact O-N 3.43Å; R389-A393 VanDerWaalsContact O-CB 3.25Å; R389-A393 WeakPolarHBondContact O-CB 3.33Å; R389-A393 PolarHBondContact O-N 2.8Å
390E81.3Confident78Confident135 Ų135118.9 Ų118.963%0.63156%0.56SS**Hα-helixtrans-64.6-46.4176-173.9179.2-155.900111.2E386 R387 Q392 A393 S394E386-E390 WeakPolarHBondContact O-CB 3.32Å; E386-E390 PolarHBondContact O-N 3.42Å; R387-E390 PolarHBondContact O-N 3.44Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.43Å; E390-A393 PolarHBondContact O-N 3.08Å; E390-S394 VanDerWaalsContact O-CB 3.22Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 2.95Å
391L83.4Confident77.8Confident126 Ų126120.5 Ų120.566%0.6656%0.563SS**Hα-helixtrans-62.1-38.5173.2-74.1168.8000112.1R387 E388 K395R387-L391 WeakPolarHBondContact O-CB 3.5Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.26Å; R387-L391 PolarHBondContact O-N 3.34Å; E388-L391 PolarHBondContact O-N 3.14Å; L391-K395 WeakPolarHBondContact O-CB 3.37Å; L391-K395 PolarHBondContact O-N 3.45Å
392Q77.4Confident77.5Confident136 Ų136118.5 Ų118.564%0.63656%0.561SS**Hα-helixtrans-70.6-37.3177.5-169.9173.695.500112.1E388 R389 E390 A396E388-Q392 WeakPolarHBondContact O-CB 3.39Å; E388-Q392 PolarHBondContact O-N 2.92Å; R389-Q392 PolarHBondContact O-N 3.43Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.43Å; Q392-A396 WeakPolarHBondContact O-CB 3.32Å; Q392-A396 PolarHBondContact O-N 2.97Å
393A80.9Confident77Confident56 Ų56115.1 Ų115.146%0.46355%0.552SS.*Hα-helixtrans-70.8-41.3173.900000112.1R389 E390 A396 M397R389-A393 VanDerWaalsContact O-CB 3.25Å; R389-A393 WeakPolarHBondContact O-CB 3.33Å; R389-A393 PolarHBondContact O-N 2.8Å; E390-A393 PolarHBondContact O-N 3.08Å; A393-A396 WeakPolarHBondContact O-CB 3.34Å; A393-A396 PolarHBondContact O-N 3.49Å; A393-M397 PolarHBondContact O-N 3.44Å
394S80.3Confident76.7Confident68 Ų68114.5 Ų114.548%0.47656%0.555SS.*Hα-helixtrans-59.4-48.9172.5-176.80000110.8E390 A396 M397 E398E390-S394 VanDerWaalsContact O-CB 3.22Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 2.95Å; S394-A396 VanDerWaalsContact C-N 3.29Å; S394-A396 PolarHBondContact O-N 3.07Å; S394-M397 PolarHBondContact O-N 3.26Å; S394-M397 VanDerWaalsContact O-N 3.13Å; S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 PolarHBondContact O-N 2.99Å
395K84.3Confident76Confident147 Ų147113 Ų11364%0.63955%0.551SS**Hα-helixtrans-64.1-29.8174.5-172.8169.5179172.10113.3L391 N399L391-K395 WeakPolarHBondContact O-CB 3.37Å; L391-K395 PolarHBondContact O-N 3.45Å; K395-N399 VanDerWaalsContact O-CB 3.27Å; K395-N399 WeakPolarHBondContact O-CB 3.42Å; K395-N399 PolarHBondContact O-N 3.39Å
396A79.8Confident75.1Confident60 Ų60113.8 Ų113.850%0.49656%0.559SS.*Hα-helixtrans-70.5-39.4172.300000111.9Q392 A393 S394 N399 H400Q392-A396 WeakPolarHBondContact O-CB 3.32Å; Q392-A396 PolarHBondContact O-N 2.97Å; A393-A396 WeakPolarHBondContact O-CB 3.34Å; A393-A396 PolarHBondContact O-N 3.49Å; S394-A396 VanDerWaalsContact C-N 3.29Å; S394-A396 PolarHBondContact O-N 3.07Å; A396-N399 PolarHBondContact O-N 3.46Å; A396-H400 WeakPolarHBondContact O-CB 3.18Å; A396-H400 PolarHBondContact O-N 3.25Å
397M76.9Confident74.1Confident139 Ų139112.6 Ų112.669%0.68557%0.565SS**Hα-helixtrans-68.1-39.5171.9-69.1-156.5-61.400112.3A393 S394 N399 H400 Y401A393-M397 PolarHBondContact O-N 3.44Å; S394-M397 PolarHBondContact O-N 3.26Å; S394-M397 VanDerWaalsContact O-N 3.13Å; M397-N399 VanDerWaalsContact C-N 3.35Å; M397-N399 PolarHBondContact O-N 3.2Å; M397-H400 PolarHBondContact O-N 2.97Å; M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 2.78Å
398E76.5Confident73Confident120 Ų120113.8 Ų113.856%0.56158%0.578SS**Hα-helixtrans-61.1-43173.2-175-177.1-151.900111.3S394 Y401 L402S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 PolarHBondContact O-N 2.99Å; E398-Y401 PolarHBondContact O-N 3.36Å; E398-L402 HydrophobicContact CG-CD1 4.43Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.89Å
399N71.6Confident71.6Confident113 Ų113118.4 Ų118.460%0.60459%0.59SS**Hα-helixtrans-67.8-37.4175.8-165-104.4000112.4K395 A396 M397 L402 A403K395-N399 VanDerWaalsContact O-CB 3.27Å; K395-N399 WeakPolarHBondContact O-CB 3.42Å; K395-N399 PolarHBondContact O-N 3.39Å; A396-N399 PolarHBondContact O-N 3.46Å; M397-N399 VanDerWaalsContact C-N 3.35Å; M397-N399 PolarHBondContact O-N 3.2Å; N399-L402 PolarHBondContact O-N 3.02Å; N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.1Å
400H71.7Confident69.8Low125 Ų125114.2 Ų114.258%0.57960%0.597SS**Hα-helixtrans-62.8-43.8172.9-177.11.2000111.7A396 M397 A403 E404A396-H400 WeakPolarHBondContact O-CB 3.18Å; A396-H400 PolarHBondContact O-N 3.25Å; M397-H400 PolarHBondContact O-N 2.97Å; H400-A403 PolarHBondContact O-N 3.25Å; H400-E404 PolarHBondContact O-N 2.86Å
401Y71.3Confident67.5Low149 Ų149115.8 Ų115.858%0.58460%0.604SS**Hα-helixtrans-63.2-42.3176.3-178.1-110.2000111.8M397 E398 E404 L405M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 2.78Å; E398-Y401 PolarHBondContact O-N 3.36Å; Y401-E404 PolarHBondContact O-N 3.17Å; Y401-L405 HydrophobicContact CD1-CD1 4Å; Y401-L405 HydrophobicContact CE1-CD1 3.66Å; Y401-L405 HydrophobicContact CE1-CG 4.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.49Å; Y401-L405 PolarHBondContact O-N 3.33Å
402L71Confident64.9Low79 Ų79117.7 Ų117.741%0.41461%0.61SS.*Hα-helixtrans-63.4-40.5172.2-73.9167.2000112.2E398 N399 E404 L405 H406E398-L402 HydrophobicContact CG-CD1 4.43Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.89Å; N399-L402 PolarHBondContact O-N 3.02Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-E404 PolarHBondContact O-N 3.2Å; L402-L405 PolarHBondContact O-N 3.45Å; L402-H406 PolarHBondContact O-CD2 2.78Å; L402-H406 PolarHBondContact O-N 2.86Å
403A66.7Low62.7Low46 Ų46117.6 Ų117.638%0.3861%0.609SS.*Hα-helixtrans-65.7-33.9176.100000112.8N399 H400 H406 S407N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.1Å; H400-A403 PolarHBondContact O-N 3.25Å; A403-H406 PolarHBondContact O-N 3.46Å; A403-S407 WeakPolarHBondContact O-CB 3.49Å; A403-S407 PolarHBondContact O-N 2.74Å; A403-S407 PolarHBondContact O-OG 2.83Å
404E68.3Low60.4Low118 Ų118124.6 Ų124.655%0.55162%0.623SS**Hα-helixtrans-70.5-42.8174.2-169.8163.7-150.200111.4H400 Y401 L402 H406 S407 M408H400-E404 PolarHBondContact O-N 2.86Å; Y401-E404 PolarHBondContact O-N 3.17Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-E404 PolarHBondContact O-N 3.2Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 2.98Å; E404-S407 WeakPolarHBondContact O-CB 3.3Å; E404-S407 PolarHBondContact O-N 2.85Å; E404-S407 VanDerWaalsContact O-N 3.12Å; E404-M408 PolarHBondContact O-N 3.25Å; E404-M408 VanDerWaalsContact O-N 3.15Å
405L62.4Low58Low91 Ų91126 Ų12648%0.47663%0.633SS.*Hα-helixtrans-60.5-38.1171.1-72.2172.7000112.8Y401 L402 M408Y401-L405 HydrophobicContact CD1-CD1 4Å; Y401-L405 HydrophobicContact CE1-CD1 3.66Å; Y401-L405 HydrophobicContact CE1-CG 4.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.49Å; Y401-L405 PolarHBondContact O-N 3.33Å; L402-L405 PolarHBondContact O-N 3.45Å; L405-M408 PolarHBondContact O-N 2.8Å
406H57Low55.7Low139 Ų139128.2 Ų128.264%0.64464%0.643SS**Hα-helixtrans-69.2-35.2173.1-82.9-66.7000112.5L402 A403 E404 M408 R409L402-H406 PolarHBondContact O-CD2 2.78Å; L402-H406 PolarHBondContact O-N 2.86Å; A403-H406 PolarHBondContact O-N 3.46Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 2.98Å; H406-M408 PolarHBondContact O-N 3.33Å; H406-R409 PolarHBondContact O-N 3.28Å; H406-R409 VanDerWaalsContact O-N 3.15Å
407S55.9Low53.9Low97 Ų97131.8 Ų131.868%0.67866%0.661SS**Hα-helixtrans-64.9-27.2176.2-59.80000112.7A403 E404A403-S407 WeakPolarHBondContact O-CB 3.49Å; A403-S407 PolarHBondContact O-N 2.74Å; A403-S407 PolarHBondContact O-OG 2.83Å; E404-S407 WeakPolarHBondContact O-CB 3.3Å; E404-S407 PolarHBondContact O-N 2.85Å; E404-S407 VanDerWaalsContact O-N 3.12Å
408M54.8Low51.5Low162 Ų162133.3 Ų133.380%0.79867%0.667SS**THydrogen-bonded Turntrans-85.7-0.8175.5-69.1-56-54.500114.8E404 L405 H406E404-M408 PolarHBondContact O-N 3.25Å; E404-M408 VanDerWaalsContact O-N 3.15Å; L405-M408 PolarHBondContact O-N 2.8Å; H406-M408 PolarHBondContact O-N 3.33Å
409R50.2Low49.2Very low221 Ų221138 Ų13883%0.83468%0.679SS**SBendtrans-113.962.8176.9-168.9-176.6-84.1-146.7-4.4111.2H406H406-R409 PolarHBondContact O-N 3.28Å; H406-R409 VanDerWaalsContact O-N 3.15Å
410G43.4Very low47.4Very low72 Ų72139.6 Ų139.674%0.74269%0.687SS**  trans-166.553.7-174.800000116.6
411Q32.8Very low45.3Very low167 Ų167139.8 Ų139.878%0.7870%0.697SS**  trans-137.8144.2166.7-152.8-173.3-82.200111.5
412E30Very low44.1Very low167 Ų167137.5 Ų137.578%0.7870%0.7SS**  trans73.5140.2176-48.4-173.717100114.6
413E31.8Very low41.9Very low133 Ų133140.4 Ų140.462%0.62172%0.716SS**  cis-150154.911.6-155.4-130.5169.600113.1
414R32.1Very low39.9Very low203 Ų203148.2 Ų148.277%0.76674%0.736SS**  trans60.5157157.4-102.4-177.5166.498.4-9.1118.8
415S30Very low38.2Very low98 Ų98146 Ų14669%0.68574%0.738SS**  cis-143.9158.1-9.1-54.50000109.9
416K35.8Very low36.4Very low194 Ų194148.5 Ų148.584%0.84375%0.747SS**  trans-81.9160.5159.8-67.3-176.7179178.90110.7
417P40.9Very low35Very low134 Ų134150.8 Ų150.887%0.8776%0.755SS**  -128.8-167.597.639.2-32.8000113.9
418E28.4Very low33.7Very low172 Ų172150.5 Ų150.580%0.80476%0.758SS**  trans-136.9141.4-157.6169.6-167.4152.900111.1
419R27.4Very low32.4Very low217 Ų217152.7 Ų152.782%0.81976%0.763SS**  trans-174134.8138.2-110.3-165.9154.2129.5-2.7116.9
420L34Very low31.5Very low148 Ų148149.6 Ų149.678%0.77576%0.758SS**  trans72.5152.3147.3-58.4-178.5000122.1
421T27.8Very low31.2Very low128 Ų128152 Ų15279%0.78576%0.761SS**  trans-128.6-161.9-17462.90000107.8
422P44.8Very low30.9Very low101 Ų101147.3 Ų147.366%0.65675%0.751SS**  cis-135178.7-19.135.8-16.7000115.5
423N25.8Very low31.5Very low140 Ų140147.3 Ų147.375%0.74976%0.755SS**  trans77.5127.4142.4-99.1-49.6000124.5
424R24.5Very low31.7Very low211 Ų211147.2 Ų147.280%0.79677%0.766SS**  trans74.8144.8134.6-152.9154.9-177.894.29.7117.3
425A32.2Very low31.7Very low71 Ų71141.9 Ų141.959%0.58777%0.766SS**  cis-155.6155.48.800000115.1
426E24.3Very low32.6Very low143 Ų143142.8 Ų142.867%0.66877%0.769SS**  trans58.1157.3138.9-63.1-172.7174.200125.4
427K28.9Very low32.5Very low188 Ų188143 Ų14382%0.81777%0.77SS**  trans92.6135.3153.5-49-169.9-176.1174.10118.5
428A29.1Very low32.3Very low90 Ų90142.7 Ų142.774%0.74477%0.768SS**  cis177.5129.4-43.200000109.3
429K27.5Very low32.3Very low209 Ų209141.1 Ų141.191%0.90977%0.77SS**  trans-159.7104156.8-143.974.9178.6-176.20112.5
430E29.7Very low33.7Very low155 Ų155136.4 Ų136.472%0.72477%0.767SS**  trans-103.1177.9153.4-130.9-148.6151.900107.5A432E430-A432 WeakPolarHBondContact OE1-CA 3.37Å; E430-A432 WeakPolarHBondContact OE1-CB 3.3Å
431P38.2Very low34.3Very low122 Ų122135.1 Ų135.179%0.79277%0.768SS**  cis-127.7-165.435.819.27.5000113.3
432A25.2Very low34.2Very low69 Ų69132.6 Ų132.657%0.5777%0.767SS**  cis-176.5166-43.900000108E430E430-A432 WeakPolarHBondContact OE1-CA 3.37Å; E430-A432 WeakPolarHBondContact OE1-CB 3.3Å
433L42.3Very low33.5Very low168 Ų168135.8 Ų135.888%0.8878%0.777SS**  trans-91.3171174.9-63.9172.8000112.6
434P37.6Very low33.7Very low130 Ų130137.6 Ų137.684%0.84478%0.781SS**  -148.4172.6120.838.3-22.8000117
435A31.9Very low34.3Very low92 Ų92133.2 Ų133.276%0.7678%0.779SS**  trans-145.6-168.716600000107.6
436P49.1Very low34.2Very low116 Ų116134.6 Ų134.675%0.75379%0.785SS**  cis-135.6179.7-13.341.1-23.1000115.6
437K33.5Very low34.4Very low198 Ų198135.8 Ų135.886%0.86179%0.793SS**  trans22.4138.4151.8-63.2-177.5-179.7-179.40122.1
438P35.7Very low34.3Very low128 Ų128133 Ų13383%0.83179%0.791SS**  -145.3170.192.338.3-22.3000116.4
439V29.8Very low34.5Very low140 Ų140135.4 Ų135.485%0.84879%0.787SS**  trans-153.6125.9-178.6170.90000110
440P56.9Low35Very low117 Ų117129.9 Ų129.976%0.7677%0.772SS**  -153.2-150.4103.245-25.8000111.3
441P45.8Very low34.8Very low122 Ų122130.5 Ų130.579%0.79278%0.775SS**  cis-134.9172.7-17.541.1-24.5000116.7
442G26.1Very low34.4Very low75 Ų75131.8 Ų131.877%0.77377%0.77SS**  trans86.3141.3154.400000118.3
443I28.9Very low34.5Very low167 Ų167136.4 Ų136.486%0.85678%0.779SS**  cis-146.1145.1-3.5-47.2175.2000108.6
444H31.6Very low33.8Very low178 Ų178134.6 Ų134.682%0.82478%0.775SS**  trans-119.9152.4168.4-74.7-72.8000111.1
445P37Very low33.2Very low119 Ų119133.9 Ų133.977%0.77377%0.773SS**  -125.4151.2104.54.317.6000111.4
446S28.6Very low33.1Very low101 Ų101134.7 Ų134.771%0.70677%0.773SS**  cis70.7130.447.5-150.20000112
447M28.5Very low32.5Very low168 Ų168136.6 Ų136.683%0.82878%0.776SS**  cis-130.9178.215.4-34-17676.100109.7
448V28Very low32.3Very low128 Ų128133.8 Ų133.878%0.77677%0.769SS**  cis-154.8166.4185.10000110.1
449Q33Very low31.9Very low142 Ų142132.4 Ų132.466%0.66476%0.763SS**  trans-145.1176.4158-151.6-157.447.200107.1
450P36.9Very low31.9Very low93 Ų93132.2 Ų132.260%0.60476%0.757SS**  -160.1166.483.944.7-25000119.3
451H27Very low30.8Very low167 Ų167134.7 Ų134.777%0.77376%0.758SS**  trans79.5149.6147.5-60.9-34000121.6
452H30.1Very low29.9Very low150 Ų150133.3 Ų133.369%0.69476%0.757SS**  trans-124.1172.9-177.6-67.4-96.7000110.2
453H26.1Very low30.3Very low165 Ų165137.1 Ų137.176%0.76476%0.759SS**  trans96.1125.6149.8-63.7-61.6000121.1
454V28.7Very low30.7Very low130 Ų130139.3 Ų139.379%0.78876%0.758SS**  trans71.6156143.8-60.70000122.2
455S24.6Very low31Very low115 Ų115139.6 Ų139.680%0.80476%0.761SS**  trans82.6103.7163.5-59.10000118.2
456S29.6Very low30.6Very low109 Ų109137 Ų13776%0.76276%0.756SS**  trans-51.2153.6154.2-39.90000112.2
457L36.4Very low31.1Very low156 Ų156138.7 Ų138.782%0.81777%0.768SS**  168.9153.9114-92.4173.7000114.2
458I29Very low31.3Very low140 Ų140133.9 Ų133.972%0.71876%0.761SS**  trans76.5140.5149.8-70.3156000120
459S27.4Very low32Very low99 Ų99132.3 Ų132.369%0.69276%0.762SS**  trans75.1146157.9-80.50000121.3
460N30.1Very low32.6Very low136 Ų136132.8 Ų132.873%0.72777%0.774SS**  cis-167176.8-31.3-122.1-45.8000112.1
461H32.9Very low32.5Very low169 Ų169131.5 Ų131.578%0.78278%0.778SS**  trans-46.7136.8176.5-71.7-105.2000117.7
462A27.3Very low33.5Very low93 Ų93130.7 Ų130.777%0.76979%0.785SS**  trans-165.4122131.700000107.8
463L35.5Very low34.5Very low155 Ų155126 Ų12681%0.81278%0.778SS**  76.9102.756.6-70.3178.8000115.8
464Y37.2Very low35.5Very low213 Ų213125.3 Ų125.384%0.83578%0.778SS**  60.686.7128.5-155.5-86.2000119.8
465M36.1Very low36.5Very low183 Ų183122.2 Ų122.290%0.90177%0.766SS**  -158.8162.2130-89.8-49.7-152.900105
466G28.6Very low37.6Very low64 Ų64119.5 Ų119.566%0.6675%0.751SS**  cis147.1143.118.400000105.4
467S41Very low38.5Very low138 Ų138118.4 Ų118.497%0.96574%0.744SS**  trans-61.2136.5-167.9-171.50000114
468G32.5Very low39.7Very low66 Ų66116.7 Ų116.768%0.6874%0.735SS**  trans167.562.5173.500000120.2
469A42.9Very low41.4Very low96 Ų96115.6 Ų115.679%0.79373%0.729SS**  trans54.8162.4150.100000122.9
470V44.3Very low43.1Very low151 Ų151114.7 Ų114.792%0.91572%0.719SS**  trans71.2122.8168.8-164.70000117.1
471G35.1Very low44.7Very low66 Ų66113.5 Ų113.568%0.6871%0.71SS**  trans177.416.1177.500000117.2G473G471-G473 PolarHBondContact O-N 3.08Å
472T48Very low46.2Very low151 Ų151113.6 Ų113.693%0.92670%0.703SS**THydrogen-bonded Turntrans-7636.5-168.938.20000115.6
473G51.4Low47.8Very low52 Ų52111.6 Ų111.654%0.53669%0.686SS.*THydrogen-bonded Turntrans-102.5-44.7-17800000115.7G471G471-G473 PolarHBondContact O-N 3.08Å
474L46.7Very low49.4Very low149 Ų149107.7 Ų107.778%0.7867%0.666SS**Hα-helixtrans-85.6-24.9-162.7-64.6174.4000115.1A476L474-A476 PolarHBondContact O-N 3.21Å
475A49.4Very low51.2Low65 Ų65102.3 Ų102.354%0.53765%0.649SS.*Hα-helixtrans-66.3-37.4-178.500000112.8S477 L478 I479A475-S477 PolarHBondContact O-N 3.25Å; A475-L478 PolarHBondContact O-N 3.4Å; A475-I479 WeakPolarHBondContact O-CG1 3.32Å; A475-I479 PolarHBondContact O-N 3.46Å; A475-I479 VanDerWaalsContact O-N 3.09Å
476A47.6Very low52.8Low59 Ų5998.7 Ų98.749%0.48863%0.63SS.*Hα-helixtrans-62.2-41.8-175.200000112.8L474 L478 I479 T480L474-A476 PolarHBondContact O-N 3.21Å; A476-L478 PolarHBondContact O-N 2.88Å; A476-I479 PolarHBondContact O-N 3.28Å; A476-T480 WeakPolarHBondContact O-CB 3.41Å; A476-T480 PolarHBondContact O-N 3Å; A476-T480 PolarHBondContact O-OG1 3.36Å
477S49.4Very low55.2Low86 Ų86101.1 Ų101.160%0.60162%0.624SS**Hα-helixtrans-63.2-42177.1-71.20000112.4A475 T480 Q481A475-S477 PolarHBondContact O-N 3.25Å; S477-T480 PolarHBondContact O-N 2.99Å; S477-Q481 WeakPolarHBondContact O-CB 3.46Å; S477-Q481 PolarHBondContact O-N 3.42Å
478L61.2Low57.1Low120 Ų120102 Ų10263%0.62861%0.606SS**Hα-helixtrans-68.4-37.7-179.6-67.7172.2000112.2A475 A476 R482A475-L478 PolarHBondContact O-N 3.4Å; A476-L478 PolarHBondContact O-N 2.88Å; L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.1Å
479I65.6Low59.4Low117 Ų117106 Ų10660%0.660%0.601SS**Hα-helixtrans-65-44.7172.5-66.1165.2000110.2A475 A476 Q481 R482 A483A475-I479 WeakPolarHBondContact O-CG1 3.32Å; A475-I479 PolarHBondContact O-N 3.46Å; A475-I479 VanDerWaalsContact O-N 3.09Å; A476-I479 PolarHBondContact O-N 3.28Å; I479-Q481 PolarHBondContact O-N 2.97Å; I479-R482 PolarHBondContact O-N 3.38Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 3.31Å
480T63.1Low61.5Low80 Ų80105.5 Ų105.549%0.49158%0.584SS.*Hα-helixtrans-65.4-38179.5-54.30000112.3A476 S477 N484A476-T480 WeakPolarHBondContact O-CB 3.41Å; A476-T480 PolarHBondContact O-N 3Å; A476-T480 PolarHBondContact O-OG1 3.36Å; S477-T480 PolarHBondContact O-N 2.99Å; T480-N484 PolarHBondContact O-N 3.17Å; T480-N484 VanDerWaalsContact O-N 3.1Å; T480-N484 PolarHBondContact O-ND2 2.84Å
481Q64Low63.5Low111 Ų111100.3 Ų100.352%0.51956%0.557SS.*Hα-helixtrans-65-47.2174.7-177.9177.2-16.500111.3S477 I479 A483 N484 E485S477-Q481 WeakPolarHBondContact O-CB 3.46Å; S477-Q481 PolarHBondContact O-N 3.42Å; I479-Q481 PolarHBondContact O-N 2.97Å; Q481-A483 PolarHBondContact O-N 2.9Å; Q481-N484 WeakPolarHBondContact O-CB 3.49Å; Q481-N484 PolarHBondContact O-N 3.07Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.37Å; Q481-E485 PolarHBondContact NE2-OE1 2.92Å; Q481-E485 PolarHBondContact O-N 3.11Å
482R63Low65.9Low170 Ų170104.7 Ų104.764%0.64255%0.553SS**Hα-helixtrans-57.9-47.4176.7-177.6-177.7-63.6-120.8-0.1111.7L478 I479 N484 E485 E486L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.1Å; I479-R482 PolarHBondContact O-N 3.38Å; R482-N484 VanDerWaalsContact C-N 3.29Å; R482-N484 PolarHBondContact O-N 3.13Å; R482-E485 PolarHBondContact O-N 3.4Å; R482-E486 WeakPolarHBondContact CD-OE1 3.35Å; R482-E486 HydrophobicContact CG-CG 4.47Å; R482-E486 VanDerWaalsContact CG-OE1 3.25Å; R482-E486 WeakPolarHBondContact CG-OE1 3.42Å; R482-E486 WeakPolarHBondContact O-CG 3.41Å; R482-E486 PolarHBondContact O-N 2.96Å
483A60.4Low67.3Low51 Ų51100.8 Ų100.842%0.42152%0.524SS..Hα-helixtrans-58.8-39.1177.300000112.5I479 Q481 E487I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 3.31Å; Q481-A483 PolarHBondContact O-N 2.9Å; A483-E487 WeakPolarHBondContact O-CB 3.37Å; A483-E487 PolarHBondContact O-N 2.89Å
484N69.3Low69Low73 Ų73105 Ų10539%0.3952%0.524SS..Hα-helixtrans-65.5-36.7174.1-88.9-92.9000112.8T480 Q481 R482 R488T480-N484 PolarHBondContact O-N 3.17Å; T480-N484 VanDerWaalsContact O-N 3.1Å; T480-N484 PolarHBondContact O-ND2 2.84Å; Q481-N484 WeakPolarHBondContact O-CB 3.49Å; Q481-N484 PolarHBondContact O-N 3.07Å; R482-N484 VanDerWaalsContact C-N 3.29Å; R482-N484 PolarHBondContact O-N 3.13Å; N484-R488 VanDerWaalsContact O-CB 3.29Å; N484-R488 WeakPolarHBondContact O-CB 3.24Å; N484-R488 VanDerWaalsContact O-CD 3.32Å; N484-R488 WeakPolarHBondContact O-CD 3.39Å; N484-R488 WeakPolarHBondContact O-CG 3.38Å; N484-R488 PolarHBondContact O-N 2.72Å
485E75.2Confident70.9Confident101 Ų101105.8 Ų105.847%0.47252%0.516SS..Hα-helixtrans-71.9-39.8178.2-71.9173.3-163.300111.7Q481 R482 R488 W489Q481-E485 WeakPolarHBondContact CG-OE1 3.37Å; Q481-E485 PolarHBondContact NE2-OE1 2.92Å; Q481-E485 PolarHBondContact O-N 3.11Å; R482-E485 PolarHBondContact O-N 3.4Å; E485-R488 PolarHBondContact O-N 2.95Å; E485-W489 PolarHBondContact O-N 3.45Å
486E70.9Confident72.8Confident107 Ų107108.1 Ų108.150%0.552%0.519SS..Hα-helixtrans-64.8-44.4172.2-71.5170.8-170.200111.7R482 R488 W489 L490R482-E486 WeakPolarHBondContact CD-OE1 3.35Å; R482-E486 HydrophobicContact CG-CG 4.47Å; R482-E486 VanDerWaalsContact CG-OE1 3.25Å; R482-E486 WeakPolarHBondContact CG-OE1 3.42Å; R482-E486 WeakPolarHBondContact O-CG 3.41Å; R482-E486 PolarHBondContact O-N 2.96Å; E486-R488 PolarHBondContact O-N 3.36Å; E486-W489 WeakPolarHBondContact O-CB 3.41Å; E486-W489 PolarHBondContact O-N 3Å; E486-W489 VanDerWaalsContact O-N 3.1Å; E486-L490 WeakPolarHBondContact O-CG 3.39Å; E486-L490 PolarHBondContact O-N 3.41Å
487E79.1Confident74.4Confident114 Ų114112.2 Ų112.253%0.53352%0.522SS..Hα-helixtrans-64-41.4175.3-160.3-162.6165.600111.4A483 W489 L490 A491A483-E487 WeakPolarHBondContact O-CB 3.37Å; A483-E487 PolarHBondContact O-N 2.89Å; E487-W489 VanDerWaalsContact C-N 3.25Å; E487-W489 PolarHBondContact O-N 2.89Å; E487-L490 CarbonylContact O-C 3.57Å; E487-L490 PolarHBondContact O-N 2.88Å; E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.3Å; E487-A491 PolarHBondContact O-N 3.28Å
488R79.9Confident76.1Confident156 Ų156112.8 Ų112.859%0.58952%0.516SS*.Hα-helixtrans-63.4-29.9173.1-74.4166.7178-172.5-1.8112.3N484 E485 E486 R492N484-R488 VanDerWaalsContact O-CB 3.29Å; N484-R488 WeakPolarHBondContact O-CB 3.24Å; N484-R488 VanDerWaalsContact O-CD 3.32Å; N484-R488 WeakPolarHBondContact O-CD 3.39Å; N484-R488 WeakPolarHBondContact O-CG 3.38Å; N484-R488 PolarHBondContact O-N 2.72Å; E485-R488 PolarHBondContact O-N 2.95Å; E486-R488 PolarHBondContact O-N 3.36Å; R488-R492 WeakPolarHBondContact O-CG 3.44Å; R488-R492 PolarHBondContact O-N 3.48Å; R488-R492 PolarHBondContact O-NE 3.06Å
489W81.8Confident77.4Confident151 Ų151110 Ų11057%0.57250%0.499SS*.Hα-helixtrans-71.3-47.6172.3-171.994.6000111.1E485 E486 E487 A491 R492 Q493E485-W489 PolarHBondContact O-N 3.45Å; E486-W489 WeakPolarHBondContact O-CB 3.41Å; E486-W489 PolarHBondContact O-N 3Å; E486-W489 VanDerWaalsContact O-N 3.1Å; E487-W489 VanDerWaalsContact C-N 3.25Å; E487-W489 PolarHBondContact O-N 2.89Å; W489-A491 VanDerWaalsContact C-N 3.3Å; W489-A491 PolarHBondContact O-N 3.45Å; W489-R492 PolarHBondContact O-N 3.39Å; W489-R492 VanDerWaalsContact O-N 3.13Å; W489-Q493 VanDerWaalsContact CH2-NE2 3.28Å; W489-Q493 PolarHBondContact O-N 2.91Å
490L86.4Confident78.1Confident86 Ų86111.3 Ų111.345%0.4550%0.501SS..Hα-helixtrans-63.1-33.3175.2-69.3170.5000112.7E486 E487 Q493 R494E486-L490 WeakPolarHBondContact O-CG 3.39Å; E486-L490 PolarHBondContact O-N 3.41Å; E487-L490 CarbonylContact O-C 3.57Å; E487-L490 PolarHBondContact O-N 2.88Å; L490-Q493 PolarHBondContact O-N 3.48Å; L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 WeakPolarHBondContact O-CG 3.35Å; L490-R494 PolarHBondContact O-N 2.82Å; L490-R494 PolarHBondContact O-NE 2.92Å
491A85.8Confident79.1Confident41 Ų41113.4 Ų113.434%0.33951%0.505SS..Hα-helixtrans-67.3-40.917300000111.6E487 W489 R494 R495E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.3Å; E487-A491 PolarHBondContact O-N 3.28Å; W489-A491 VanDerWaalsContact C-N 3.3Å; W489-A491 PolarHBondContact O-N 3.45Å; A491-R494 PolarHBondContact O-N 2.77Å; A491-R495 WeakPolarHBondContact O-CB 3.36Å; A491-R495 PolarHBondContact O-N 3.27Å
492R86.3Confident80.3Confident159 Ų159112.3 Ų112.360%0.650%0.502SS*.Hα-helixtrans-66-38.8172.6-78.2173.3-77.7-163.43.3111.9R488 W489 R495 L496R488-R492 WeakPolarHBondContact O-CG 3.44Å; R488-R492 PolarHBondContact O-N 3.48Å; R488-R492 PolarHBondContact O-NE 3.06Å; W489-R492 PolarHBondContact O-N 3.39Å; W489-R492 VanDerWaalsContact O-N 3.13Å; R492-R495 PolarHBondContact O-N 3.34Å; R492-L496 WeakPolarHBondContact O-CB 3.19Å; R492-L496 PolarHBondContact O-N 3.45Å
493Q76.4Confident81.6Confident68 Ų68110.9 Ų110.932%0.31850%0.497SS..Hα-helixtrans-70.4-33.6175.4-151.3-162.862.100112.7W489 L490 R497W489-Q493 VanDerWaalsContact CH2-NE2 3.28Å; W489-Q493 PolarHBondContact O-N 2.91Å; L490-Q493 PolarHBondContact O-N 3.48Å; Q493-R497 PolarHBondContact O-N 2.97Å; Q493-R497 VanDerWaalsContact O-N 3.13Å
494R87.4Confident82.4Confident140 Ų140114.3 Ų114.353%0.52850%0.504SS..Hα-helixtrans-63.7-49.5168.8-80.3176.9-77159-9.1111.2L490 A491 L496 R497 Q498L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 WeakPolarHBondContact O-CG 3.35Å; L490-R494 PolarHBondContact O-N 2.82Å; L490-R494 PolarHBondContact O-NE 2.92Å; A491-R494 PolarHBondContact O-N 2.77Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.7Å; R494-R497 PolarHBondContact O-N 3.07Å; R494-R497 VanDerWaalsContact O-N 3.09Å; R494-Q498 PolarHBondContact O-N 3.36Å
495R86.9Confident83.3Confident166 Ų166114.1 Ų114.163%0.62651%0.509SS*.Hα-helixtrans-57.5-39.6175.8-171.5-179.9178.9-74.4-1111.9A491 R492 Q498 E499A491-R495 WeakPolarHBondContact O-CB 3.36Å; A491-R495 PolarHBondContact O-N 3.27Å; R492-R495 PolarHBondContact O-N 3.34Å; R495-Q498 PolarHBondContact O-N 3.11Å; R495-E499 IonicContact CZ-OE2 2.62Å; R495-E499 IonicContact NH1-OE2 3.97Å; R495-E499 PolarHBondContact NH1-OE2 3Å; R495-E499 IonicContact NH2-OE2 3.38Å; R495-E499 WeakPolarHBondContact O-CB 3.47Å; R495-E499 PolarHBondContact O-N 2.8Å
496L87.9Confident83.8Confident115 Ų115115.7 Ų115.760%0.60252%0.516SS*.Hα-helixtrans-70.2-30.6177.3-171.164.6000113.3R492 R494 K500R492-L496 WeakPolarHBondContact O-CB 3.19Å; R492-L496 PolarHBondContact O-N 3.45Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.7Å; L496-K500 PolarHBondContact O-N 3.47Å
497R82.9Confident84.6Confident144 Ų144114.6 Ų114.654%0.54352%0.516SS..Hα-helixtrans-68-48168.9-73.6-170.9-174.983.4-3.1110.9Q493 R494 E499 K500 E501Q493-R497 PolarHBondContact O-N 2.97Å; Q493-R497 VanDerWaalsContact O-N 3.13Å; R494-R497 PolarHBondContact O-N 3.07Å; R494-R497 VanDerWaalsContact O-N 3.09Å; R497-E499 VanDerWaalsContact C-N 3.34Å; R497-E499 PolarHBondContact O-N 2.83Å; R497-K500 WeakPolarHBondContact O-CB 3.24Å; R497-K500 PolarHBondContact O-N 3.08Å; R497-K500 VanDerWaalsContact O-N 3.07Å; R497-E501 WeakPolarHBondContact O-CB 3.39Å; R497-E501 PolarHBondContact O-N 3.14Å
498Q84.6Confident85Confident99 Ų99112 Ų11246%0.46351%0.511SS..Hα-helixtrans-55.9-47.1174.6-168.670.556.300111.3R494 R495 K500 E501 D502R494-Q498 PolarHBondContact O-N 3.36Å; R495-Q498 PolarHBondContact O-N 3.11Å; Q498-K500 PolarHBondContact O-N 2.82Å; Q498-E501 CarbonylContact O-C 3.55Å; Q498-E501 PolarHBondContact O-N 2.83Å; Q498-D502 PolarHBondContact NE2-OD1 2.96Å; Q498-D502 WeakPolarHBondContact O-CB 3.45Å; Q498-D502 VanDerWaalsContact O-CG 3.28Å; Q498-D502 PolarHBondContact O-N 2.69Å
499E87.6Confident85.4Confident60 Ų60109.5 Ų109.528%0.2851%0.506SS..Hα-helixtrans-68.6-16-179.7-146.1-165.4107.200113.5R495 R497 R503R495-E499 IonicContact CZ-OE2 2.62Å; R495-E499 IonicContact NH1-OE2 3.97Å; R495-E499 PolarHBondContact NH1-OE2 3Å; R495-E499 IonicContact NH2-OE2 3.38Å; R495-E499 WeakPolarHBondContact O-CB 3.47Å; R495-E499 PolarHBondContact O-N 2.8Å; R497-E499 VanDerWaalsContact C-N 3.34Å; R497-E499 PolarHBondContact O-N 2.83Å; E499-R503 WeakPolarHBondContact O-CG 3.41Å; E499-R503 PolarHBondContact O-NH1 3.29Å; E499-R503 IonicContact OE1-CZ 2.82Å; E499-R503 VanDerWaalsContact OE1-CZ 3.23Å; E499-R503 IonicContact OE1-NH1 3.96Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å; E499-R503 IonicContact OE1-NH2 3.39Å; E499-R503 PolarHBondContact OE1-NH2 3.39Å
500K81.6Confident85.4Confident146 Ų146108.7 Ų108.764%0.63551%0.507SS*.Hα-helixtrans-86.4-40.6168.7-174.9-175.4175.1-173.10111L496 R497 Q498 R503 Q504L496-K500 PolarHBondContact O-N 3.47Å; R497-K500 WeakPolarHBondContact O-CB 3.24Å; R497-K500 PolarHBondContact O-N 3.08Å; R497-K500 VanDerWaalsContact O-N 3.07Å; Q498-K500 PolarHBondContact O-N 2.82Å; K500-R503 PolarHBondContact O-N 3.45Å; K500-Q504 WeakPolarHBondContact O-CB 3.23Å; K500-Q504 PolarHBondContact O-N 3.09Å
501E83.1Confident85.4Confident124 Ų124112.9 Ų112.958%0.57952%0.516SS*.Hα-helixtrans-65.9-43.8177.2-169.5166.3-179.800111.4R497 Q498 R503 Q504 S505R497-E501 WeakPolarHBondContact O-CB 3.39Å; R497-E501 PolarHBondContact O-N 3.14Å; Q498-E501 CarbonylContact O-C 3.55Å; Q498-E501 PolarHBondContact O-N 2.83Å; E501-R503 PolarHBondContact O-N 3.41Å; E501-Q504 CarbonylContact O-C 3.57Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.33Å
502D89.8Confident85.4Confident87 Ų87117.2 Ų117.247%0.46553%0.53SS..Hα-helixtrans-59.9-43.1172.8-68.95.8000111.4Q498 S505 Q506Q498-D502 PolarHBondContact NE2-OD1 2.96Å; Q498-D502 WeakPolarHBondContact O-CB 3.45Å; Q498-D502 VanDerWaalsContact O-CG 3.28Å; Q498-D502 PolarHBondContact O-N 2.69Å; D502-S505 WeakPolarHBondContact O-CB 3.27Å; D502-S505 PolarHBondContact O-N 3.17Å; D502-Q506 VanDerWaalsContact O-CB 3.27Å; D502-Q506 WeakPolarHBondContact O-CB 3.27Å; D502-Q506 PolarHBondContact O-N 3.49Å
503R89.4Confident85.2Confident140 Ų140114.4 Ų114.453%0.52852%0.523SS..Hα-helixtrans-65.9-38.6173.8-77.6-173.5-17391.4-2.7112.3E499 K500 E501 V507E499-R503 WeakPolarHBondContact O-CG 3.41Å; E499-R503 PolarHBondContact O-NH1 3.29Å; E499-R503 IonicContact OE1-CZ 2.82Å; E499-R503 VanDerWaalsContact OE1-CZ 3.23Å; E499-R503 IonicContact OE1-NH1 3.96Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å; E499-R503 IonicContact OE1-NH2 3.39Å; E499-R503 PolarHBondContact OE1-NH2 3.39Å; K500-R503 PolarHBondContact O-N 3.45Å; E501-R503 PolarHBondContact O-N 3.41Å; R503-V507 WeakPolarHBondContact O-CB 3.44Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.26Å; R503-V507 PolarHBondContact O-N 3.45Å
504Q78.4Confident85.6Confident123 Ų123113.4 Ų113.458%0.57552%0.522SS*.Hα-helixtrans-70.7-34.3176.8-175166.2-7.700111.6K500 E501 S508K500-Q504 WeakPolarHBondContact O-CB 3.23Å; K500-Q504 PolarHBondContact O-N 3.09Å; E501-Q504 CarbonylContact O-C 3.57Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; Q504-S508 WeakPolarHBondContact O-CB 3.15Å; Q504-S508 PolarHBondContact O-N 3.4Å; Q504-S508 PolarHBondContact O-OG 3.15Å
505S86.9Confident85.3Confident70 Ų70112.1 Ų112.149%0.4953%0.525SS..Hα-helixtrans-64.5-52.6172.2-171.30000110E501 D502 V507 S508 E509E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.33Å; D502-S505 WeakPolarHBondContact O-CB 3.27Å; D502-S505 PolarHBondContact O-N 3.17Å; S505-V507 VanDerWaalsContact C-N 3.3Å; S505-V507 PolarHBondContact O-N 2.81Å; S505-S508 CarbonylContact O-C 3.6Å; S505-S508 WeakPolarHBondContact O-CA 3.36Å; S505-S508 WeakPolarHBondContact O-CB 3.32Å; S505-S508 PolarHBondContact O-N 2.86Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.38Å
506Q86.7Confident84.9Confident134 Ų134109.7 Ų109.763%0.62652%0.521SS*.Hα-helixtrans-60.1-35.1176.9-173.5168.482.500113.1D502 F510D502-Q506 VanDerWaalsContact O-CB 3.27Å; D502-Q506 WeakPolarHBondContact O-CB 3.27Å; D502-Q506 PolarHBondContact O-N 3.49Å; Q506-F510 VanDerWaalsContact O-CB 3.26Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.36Å
507V88.6Confident84Confident83 Ų83110.7 Ų110.750%0.50352%0.522SS..Hα-helixtrans-71.8-29.8171.4167.70000112.4R503 S505 R511R503-V507 WeakPolarHBondContact O-CB 3.44Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.26Å; R503-V507 PolarHBondContact O-N 3.45Å; S505-V507 VanDerWaalsContact C-N 3.3Å; S505-V507 PolarHBondContact O-N 2.81Å; V507-R511 WeakPolarHBondContact O-CB 3.31Å; V507-R511 WeakPolarHBondContact O-CG 3.5Å; V507-R511 PolarHBondContact O-N 2.9Å
508S86.3Confident83.3Confident60 Ų60109.4 Ų109.442%0.4252%0.522SS..Hα-helixtrans-78-40.8176.2-56.80000111.6Q504 S505 R511 Q512Q504-S508 WeakPolarHBondContact O-CB 3.15Å; Q504-S508 PolarHBondContact O-N 3.4Å; Q504-S508 PolarHBondContact O-OG 3.15Å; S505-S508 CarbonylContact O-C 3.6Å; S505-S508 WeakPolarHBondContact O-CA 3.36Å; S505-S508 WeakPolarHBondContact O-CB 3.32Å; S505-S508 PolarHBondContact O-N 2.86Å; S508-R511 CarbonylContact O-C 3.53Å; S508-R511 WeakPolarHBondContact O-CB 3.39Å; S508-R511 PolarHBondContact O-N 3.24Å; S508-Q512 WeakPolarHBondContact O-CB 3.38Å; S508-Q512 PolarHBondContact O-N 2.98Å
509E87.8Confident82.6Confident103 Ų103110.5 Ų110.548%0.48153%0.531SS..Hα-helixtrans-61-46.2170.9-177.1-179.3-16400110.6S505 R511 Q512 Q513S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.38Å; E509-R511 PolarHBondContact O-N 3.32Å; E509-Q512 CarbonylContact O-C 3.58Å; E509-Q512 PolarHBondContact O-N 2.93Å; E509-Q512 VanDerWaalsContact O-N 3.08Å; E509-Q513 WeakPolarHBondContact O-CB 3.48Å; E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 3.5Å
510F83.3Confident81Confident134 Ų134112.9 Ų112.959%0.58855%0.545SS*.Hα-helixtrans-61.8-41.4173.1-177-102000112.1Q506 Q512 V514Q506-F510 VanDerWaalsContact O-CB 3.26Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.36Å; F510-Q512 VanDerWaalsContact C-N 3.29Å; F510-Q512 PolarHBondContact O-N 3.35Å; F510-V514 HydrophobicContact CD1-CG2 4.33Å; F510-V514 HydrophobicContact CE1-CG2 3.96Å; F510-V514 HydrophobicContact CE2-CG2 4.34Å; F510-V514 HydrophobicContact CZ-CG2 3.97Å; F510-V514 WeakPolarHBondContact O-CB 3.29Å; F510-V514 VanDerWaalsContact O-CG2 3.24Å; F510-V514 WeakPolarHBondContact O-CG2 3.35Å; F510-V514 PolarHBondContact O-N 3.28Å
511R84.8Confident79.6Confident174 Ų174113.3 Ų113.366%0.65755%0.554SS**Hα-helixtrans-62-36.1171.7-80.9175176.5-94.20.2112.4V507 S508 E509 L515V507-R511 WeakPolarHBondContact O-CB 3.31Å; V507-R511 WeakPolarHBondContact O-CG 3.5Å; V507-R511 PolarHBondContact O-N 2.9Å; S508-R511 CarbonylContact O-C 3.53Å; S508-R511 WeakPolarHBondContact O-CB 3.39Å; S508-R511 PolarHBondContact O-N 3.24Å; E509-R511 PolarHBondContact O-N 3.32Å; R511-L515 WeakPolarHBondContact O-CB 3.44Å; R511-L515 WeakPolarHBondContact O-CG 3.34Å; R511-L515 PolarHBondContact O-N 2.83Å
512Q86.9Confident77.7Confident133 Ų133112.1 Ų112.162%0.62156%0.559SS**Hα-helixtrans-74-43.3-179.6-170.9156.3400111.5S508 E509 F510 V514 L515 E516S508-Q512 WeakPolarHBondContact O-CB 3.38Å; S508-Q512 PolarHBondContact O-N 2.98Å; E509-Q512 CarbonylContact O-C 3.58Å; E509-Q512 PolarHBondContact O-N 2.93Å; E509-Q512 VanDerWaalsContact O-N 3.08Å; F510-Q512 VanDerWaalsContact C-N 3.29Å; F510-Q512 PolarHBondContact O-N 3.35Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 2.67Å; Q512-L515 WeakPolarHBondContact O-CB 3.26Å; Q512-L515 PolarHBondContact O-N 3.38Å; Q512-L515 VanDerWaalsContact O-N 3.13Å; Q512-E516 VanDerWaalsContact O-CB 3.3Å; Q512-E516 WeakPolarHBondContact O-CB 3.38Å; Q512-E516 PolarHBondContact O-N 2.7Å
513Q81.9Confident75.4Confident99 Ų99117.6 Ų117.646%0.46357%0.573SS.*Hα-helixtrans-60-39170.2-72176.22.900111.7E509 Q517E509-Q513 WeakPolarHBondContact O-CB 3.48Å; E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 3.5Å; Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.98Å
514V83.8Confident72.9Confident48 Ų48116.8 Ų116.829%0.29159%0.586SS.*Hα-helixtrans-66.8-38.9173.6168.40000111.4F510 Q512 H518F510-V514 HydrophobicContact CD1-CG2 4.33Å; F510-V514 HydrophobicContact CE1-CG2 3.96Å; F510-V514 HydrophobicContact CE2-CG2 4.34Å; F510-V514 HydrophobicContact CZ-CG2 3.97Å; F510-V514 WeakPolarHBondContact O-CB 3.29Å; F510-V514 VanDerWaalsContact O-CG2 3.24Å; F510-V514 WeakPolarHBondContact O-CG2 3.35Å; F510-V514 PolarHBondContact O-N 3.28Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 2.67Å; V514-H518 PolarHBondContact O-N 3.18Å; V514-H518 VanDerWaalsContact O-N 3.16Å; V514-H518 PolarHBondContact O-ND1 3.01Å
515L82.3Confident70.9Confident113 Ų113115.8 Ų115.859%0.59260%0.599SS**Hα-helixtrans-66.5-44.1174.4-78.8163.2000112R511 Q512 H518 L519R511-L515 WeakPolarHBondContact O-CB 3.44Å; R511-L515 WeakPolarHBondContact O-CG 3.34Å; R511-L515 PolarHBondContact O-N 2.83Å; Q512-L515 WeakPolarHBondContact O-CB 3.26Å; Q512-L515 PolarHBondContact O-N 3.38Å; Q512-L515 VanDerWaalsContact O-N 3.13Å; L515-H518 PolarHBondContact O-N 2.95Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.45Å
516E79.3Confident68.3Low114 Ų114120 Ų12053%0.53362%0.616SS.*Hα-helixtrans-62.2-44.1177.1-167.6160.9-140.600111Q512 H518 L519 D520Q512-E516 VanDerWaalsContact O-CB 3.3Å; Q512-E516 WeakPolarHBondContact O-CB 3.38Å; Q512-E516 PolarHBondContact O-N 2.7Å; E516-H518 VanDerWaalsContact C-N 3.33Å; E516-H518 PolarHBondContact O-N 3.34Å; E516-L519 WeakPolarHBondContact O-CB 3.39Å; E516-L519 PolarHBondContact O-N 2.94Å; E516-D520 PolarHBondContact O-N 2.89Å
517Q69Low65.9Low136 Ų136120 Ų12064%0.63663%0.625SS**Hα-helixtrans-60.9-36173.7-176.617397.900113.3Q513 L521Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.98Å; Q517-L521 WeakPolarHBondContact O-CB 3.48Å; Q517-L521 PolarHBondContact O-N 3.34Å; Q517-L521 VanDerWaalsContact O-N 3.13Å
518H68.1Low64Low117 Ų117121.7 Ų121.754%0.54264%0.638SS.*Hα-helixtrans-72.3-30.2173.3-75.894.6000112.7V514 L515 E516 S522V514-H518 PolarHBondContact O-N 3.18Å; V514-H518 VanDerWaalsContact O-N 3.16Å; V514-H518 PolarHBondContact O-ND1 3.01Å; L515-H518 PolarHBondContact O-N 2.95Å; E516-H518 VanDerWaalsContact C-N 3.33Å; E516-H518 PolarHBondContact O-N 3.34Å; H518-S522 PolarHBondContact O-OG 2.87Å
519L69.4Low61.3Low123 Ų123126.8 Ų126.864%0.64466%0.66SS**Hα-helixtrans-73.8-43.3176.1-70.9164.9000111.5L515 E516 S522L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.45Å; E516-L519 WeakPolarHBondContact O-CB 3.39Å; E516-L519 PolarHBondContact O-N 2.94Å; L519-S522 WeakPolarHBondContact O-CB 3.47Å; L519-S522 PolarHBondContact O-N 3.39Å
520D54Low58.7Low109 Ų109130.3 Ų130.358%0.58368%0.676SS**Hα-helixtrans-64.8-38.4175.7-80.7-24.6000112.1E516 S522 R523E516-D520 PolarHBondContact O-N 2.89Å; D520-S522 PolarHBondContact O-N 2.88Å; D520-S522 VanDerWaalsContact O-N 3.11Å; D520-R523 PolarHBondContact O-N 3.38Å
521L52.7Low56.2Low155 Ų155135 Ų13581%0.81269%0.69SS**THydrogen-bonded Turntrans-65.4-12.2174.2-157.772.3000113.2Q517Q517-L521 WeakPolarHBondContact O-CB 3.48Å; Q517-L521 PolarHBondContact O-N 3.34Å; Q517-L521 VanDerWaalsContact O-N 3.13Å
522S42.1Very low53.6Low99 Ų99132.8 Ų132.869%0.69270%0.696SS**THydrogen-bonded Turntrans-94.13.8179.1-57.90000113.7H518 L519 D520H518-S522 PolarHBondContact O-OG 2.87Å; L519-S522 WeakPolarHBondContact O-CB 3.47Å; L519-S522 PolarHBondContact O-N 3.39Å; D520-S522 PolarHBondContact O-N 2.88Å; D520-S522 VanDerWaalsContact O-N 3.11Å
523R42.2Very low50.8Low202 Ų202133.4 Ų133.476%0.76270%0.704SS**  trans-106.3120.3-174.7-158.8175.3-165.4168.93.5111.9D520D520-R523 PolarHBondContact O-N 3.38Å
524P36.4Very low48.3Very low123 Ų123132 Ų13280%0.79971%0.709SS**  trans-68.5144.8173.429.4-33.9000110.6
525A35.8Very low45.8Very low102 Ų102138.3 Ų138.384%0.84374%0.735SS**  trans-87.5134.4179.100000111.4
526D33.2Very low43.1Very low160 Ų160137.3 Ų137.386%0.85674%0.737SS**  trans-135.8163.5166.6-114-45.3000110
527V35.6Very low40.8Very low132 Ų132143.5 Ų143.580%0.876%0.756SS**  trans-89.6169.4-153.8-99.30000115.1
528P49.9Very low38.8Very low120 Ų120141.5 Ų141.578%0.77976%0.757SS**  trans-97.4166.4-148.939.1-38.9000115.3
529D28.8Very low36.8Very low166 Ų166143 Ų14389%0.88877%0.766SS**  trans-147.4165.7157.6-138.2-32.7000112.8
530H34.5Very low34.8Very low177 Ų177144 Ų14482%0.81977%0.767SS**  trans-110.5160.3-162.3-100.6-58000115.7
531R29Very low33.5Very low232 Ų232145.1 Ų145.188%0.87577%0.773SS**  trans75.8149.5172.5-63.9172166.4162.2-4.4114.6
532T31.1Very low32.4Very low129 Ų129145.3 Ų145.379%0.79177%0.77SS**  cis-14415626.4-41.20000112.6
533D28.2Very low31.7Very low146 Ų146149.4 Ų149.478%0.78178%0.778SS**  trans-57.5169.7165.7-50.2-95.7000112.2
534A28.7Very low30.9Very low69 Ų69147 Ų14757%0.5778%0.775SS**  cis-172.4175.334.600000114.2
535H30.9Very low31.6Very low180 Ų180146.6 Ų146.683%0.83377%0.772SS**  trans74149.2158.1-55.1115.1000119.9
536S26.2Very low31.1Very low92 Ų92144.8 Ų144.864%0.64376%0.764SS**  cis166.8130.3-47.151.80000111
537R30.7Very low30.8Very low244 Ų244142.2 Ų142.292%0.92176%0.758SS**  trans-174.9119.5152.7-98.1153.9-162.2-116.84.6106.7
538S26.6Very low30.6Very low95 Ų95145 Ų14566%0.66475%0.754SS**  70.8118.350.5-165.80000110.6
539M27Very low29.6Very low149 Ų149145 Ų14573%0.73474%0.744SS**  cis-135.9143.523.6-77.7-64.1-171.200111.1
540Q28.1Very low29.6Very low143 Ų143145.1 Ų145.167%0.66874%0.739SS**  71.6119.169.8-172.6174.2-6.300113.2
541N26.1Very low29.7Very low132 Ų132145.4 Ų145.471%0.70674%0.74SS**  -158.6172.870.6-117.5-34.3000116.4
542H29.1Very low30.6Very low160 Ų160139.5 Ų139.574%0.74173%0.732SS**  trans-49.9164.9-179.2-68.1-67.7000117.9
543H28.7Very low30.8Very low185 Ų185140.9 Ų140.986%0.85673%0.729SS**  cis-154.2168.542.2-15535.9000115.8
544E25.4Very low31.1Very low150 Ų150141.9 Ų141.970%0.70173%0.734SS**  trans-130.7-171.6-174.1-115.3-98.2116.700107.1
545P49.6Very low31.1Very low115 Ų115142.4 Ų142.475%0.74775%0.745SS**  cis-137.9172.23.841.5-23.2000118.8
546G26.8Very low31.2Very low64 Ų64138.3 Ų138.366%0.6674%0.743SS**  trans127.9135.9143.700000117.3
547S24.9Very low32.5Very low107 Ų107139.9 Ų139.975%0.74875%0.751SS**  cis-159.1130-0.6-159.90000114.1
548R32.1Very low33.1Very low189 Ų189133.9 Ų133.971%0.71374%0.743SS**  trans42.5121.1146.1-59.7-172.897.9114.319.2123.4
549E28.2Very low34.1Very low122 Ų122134.3 Ų134.357%0.5774%0.744SS**  67.1151.1120.5-62163.9178.500120.1
550H28.9Very low34.3Very low168 Ų168134.4 Ų134.478%0.77875%0.747SS**  cis-138.51649.4-67.3-86.5000113.2
551H36.8Very low34.2Very low182 Ų182134.6 Ų134.684%0.84375%0.751SS**  trans-109.3152.9152.3-113.8-56.7000108.9
552P49.1Very low34.5Very low108 Ų108133 Ų13370%0.70175%0.75SS**  -154.1142.8112.235.7-16.8000118.4
553H34.2Very low34.9Very low159 Ų159131.3 Ų131.374%0.73675%0.753SS**  trans48.7121.9134.7-67.6-75.6000125.9
554L34.7Very low34.7Very low167 Ų167131.9 Ų131.987%0.87475%0.753SS**  71.7134.5123.4-62.1171000122.9
555G28.3Very low35.9Very low79 Ų79130 Ų13081%0.81475%0.754SS**  trans175.5124.3160.600000111.9
556A34.2Very low35Very low94 Ų94130.5 Ų130.578%0.77776%0.757SS**  trans-101.3150.6-178.500000112.5
557P53.2Low35.1Very low126 Ų126136.2 Ų136.282%0.81877%0.767SS**  trans-88.4141.3-173.434.8-35.6000113.9
558P43.2Very low36.7Very low117 Ų117136 Ų13676%0.7676%0.763SS**  -149.8-166.2123.840.3-23.7000111.9
559P48.2Very low37.2Very low104 Ų104132.8 Ų132.868%0.67577%0.766SS**  cis-130.6158.3-38.424.1-2.9000115.7
560L29.5Very low37.2Very low152 Ų152134.9 Ų134.980%0.79677%0.769SS**  trans56.6126.9136.1-60.4173.5000124.9
561I26Very low37.2Very low147 Ų147132.7 Ų132.775%0.75476%0.759SS**  trans77110.6132.1-62.1169.4000121.4
562S33.8Very low36.8Very low97 Ų97132 Ų13268%0.67876%0.756SS**  31.6146.1128.4-153.20000122.6
563P36.3Very low35.7Very low126 Ų126133.6 Ų133.682%0.81875%0.754SS**  -137.4-173.4103.339.9-29.5000115.6
564K24.3Very low36.4Very low196 Ų196131.4 Ų131.485%0.85275%0.754SS**  trans-117.2-162-175.2-135.7-166.9172.51750111.3
565P52.5Low37.1Very low110 Ų110128.7 Ų128.771%0.71475%0.746SS**  trans-102.5178.8-142.744-31.9000115.3
566P30.6Very low37.9Very low127 Ų127130.3 Ų130.383%0.82574%0.742SS**  trans-142.9171.6141.438-22.6000117.1
567Q27.7Very low38.1Very low183 Ų183131.3 Ų131.386%0.85574%0.741SS**  trans-151.5174.8169-84.5-122.78.200106.6
568P58.8Low37Very low103 Ų103131.7 Ų131.767%0.66974%0.741SS**  cis-120.8-165.7-28.840.3-23.5000111.4
569P42.2Very low36.6Very low121 Ų121132.1 Ų132.179%0.78674%0.742SS**  -145.7-179.385.938.8-20.4000113.4
570R28.6Very low35.7Very low166 Ų166134.1 Ų134.163%0.62675%0.746SS**  cis99.6141.34.2-167.2174.3168.5-74.6-22.1119H573R570-H573 PolarHBondContact NH2-NE2 3.43Å
571E29.8Very low35.8Very low122 Ų122138.1 Ų138.157%0.5775%0.751SS**  trans97.9142.5172.6-58.2-143.1178.100117.5
572H28.7Very low36.8Very low168 Ų168137.9 Ų137.978%0.77875%0.751SS**  cis-120.1-171.214.4-73.8-61.5000115.9
573H24.9Very low36.9Very low141 Ų141138.6 Ų138.665%0.65375%0.753SS**  trans-140.7-163.9-172-70.6-84.4000110.1R570R570-H573 PolarHBondContact NH2-NE2 3.43Å
574P49.7Very low36.7Very low113 Ų113136.9 Ų136.973%0.73475%0.75SS**  -123.5-140.4-65.640.3-21.7000109.4
575P48.5Very low37Very low110 Ų110132.2 Ų132.271%0.71474%0.742SS**  cis-127-142.7-24.133.6-8.9000111.7
576P45.8Very low36Very low114 Ų114134.4 Ų134.474%0.7475%0.747SS**  -116.6-145.1-84.735.6-14.4000112.3
577P37.3Very low36Very low114 Ų114135.2 Ų135.274%0.7474%0.743SS**  -126.8146.4-75.234.9-18000114.8
578T30.1Very low35.9Very low134 Ų134131.6 Ų131.682%0.82273%0.726SS**  trans-147.7136.3156.646.50000112.2
579T35.4Very low34.4Very low126 Ų126128.1 Ų128.177%0.77370%0.703SS**  trans11.6127.715453.30000119
580L30.3Very low33.5Very low147 Ų147123.4 Ų123.477%0.7767%0.674SS**  cis43.8107.319.2-79.1179.6000115.3
581W30.2Very low33.4Very low235 Ų235117 Ų11789%0.8965%0.654SS**  -179.3140.8104.6-99.393.6000108.8
582N46.8Very low33.1Very low143 Ų143116.6 Ų116.677%0.76565%0.652SS**  trans-100.7119.6171.3175.613.6000108.5
583P35.6Very low33Very low111 Ų111112.6 Ų112.672%0.72164%0.644SS**  trans-116.9111.7169.833.8-19.4000111.8
584A32.3Very low33.1Very low91 Ų91117 Ų11775%0.75265%0.654SS**  trans-74.5151.5162.800000111.1
585S30.8Very low32Very low98 Ų98122.7 Ų122.769%0.68566%0.661SS**  trans-165.3142165.6-76.20000107.6
586L32.4Very low30.8Very low155 Ų155122 Ų12281%0.81266%0.659SS**  cis-117.9150.44.1-73.287.5000108.7
587I31Very low29.7Very low145 Ų145124.9 Ų124.974%0.74466%0.662SS**  67115.352.6-51.3160.6000109.6
588E25.3Very low29.1Very low107 Ų107125.8 Ų125.850%0.566%0.657SS.*  cis-136.3-143.928.3-155.9-132.394.700114.4A55 A56A55-E588 VanDerWaalsContact CB-OE1 3.25Å; A55-E588 WeakPolarHBondContact CB-OE1 3.25Å; A56-E588 WeakPolarHBondContact CB-OE1 3.45Å; A56-E588 WeakPolarHBondContact CB-OE2 3.5Å; A56-E588 PolarHBondContact N-OE1 3.17Å; A56-E588 VanDerWaalsContact N-OE1 3.16Å
589T26.3Very low29Very low30 Ų30125.3 Ų125.318%0.18466%0.656CS.*  trans-146.6-174.6-167.580.90000112.9F53 A55 A56 L57F53-T589 HydrophobicContact CD2-CG2 3.44Å; F53-T589 VanDerWaalsContact CD2-CG2 3.44Å; F53-T589 HydrophobicContact CE2-CG2 3.44Å; F53-T589 VanDerWaalsContact CE2-CG2 3.44Å; F53-T589 HydrophobicContact CG-CG2 4.4Å; F53-T589 HydrophobicContact CZ-CG2 4.42Å; F53-T589 VanDerWaalsContact O-CB 3.23Å; F53-T589 WeakPolarHBondContact O-CB 3.12Å; F53-T589 PolarHBondContact O-OG1 3.13Å; A55-T589 PolarHBondContact N-OG1 3.38Å; A56-T589 CarbonylContact C-O 3.59Å; A56-T589 WeakPolarHBondContact CA-O 3.36Å; A56-T589 WeakPolarHBondContact CB-O 3.4Å; A56-T589 PolarHBondContact N-O 3.14Å; L57-T589 PolarHBondContact N-O 3.25Å
590A24.6Very low28.6Very low21 Ų21123.7 Ų123.717%0.17465%0.65CS.*  trans88.9-115.9132.900000132.9F53 A54 A56 L57F53-A590 VanDerWaalsContact O-CB 3.29Å; F53-A590 WeakPolarHBondContact O-CB 3.29Å; A54-A590 CarbonylContact O-C 3.52Å; A54-A590 WeakPolarHBondContact O-CA 3.43Å; A54-A590 WeakPolarHBondContact O-CB 3.27Å; A56-A590 VanDerWaalsContact N-C 3.28Å; L57-A590 WeakPolarHBondContact CB-O 3.35Å; L57-A590 HydrophobicContact CG-CB 4.41Å; L57-A590 PolarHBondContact N-O 3.19Å
591S25.7Very low28.4Very low31 Ų31120 Ų12022%0.21765%0.647CS.*  -101.7163.4-110.5-137.20000128.1A54 A55 R58A54-S591 WeakPolarHBondContact O-CA 3.49Å; A54-S591 WeakPolarHBondContact O-CB 3.45Å; A54-S591 PolarHBondContact O-N 3.27Å; A54-S591 PolarHBondContact O-OG 3.25Å; A55-S591 WeakPolarHBondContact O-CB 3.47Å; A55-S591 PolarHBondContact O-N 3.02Å; R58-S591 WeakPolarHBondContact CB-O 3.33Å; R58-S591 WeakPolarHBondContact CD-O 3.33Å; R58-S591 WeakPolarHBondContact CG-O 3.36Å; R58-S591 VanDerWaalsContact CZ-C 3.41Å; R58-S591 VanDerWaalsContact NE-C 3.29Å; R58-S591 PolarHBondContact NE-O 3.17Å; R58-S591 VanDerWaalsContact NE-O 3.16Å
592E22.7Very low28.2Very low114 Ų114118 Ų11853%0.53365%0.65SS.*  trans-5.6122.9149.5-83.736.2-88.500116.6R58R58-E592 IonicContact CZ-OE1 3.3Å; R58-E592 IonicContact NH1-OE1 2.74Å; R58-E592 PolarHBondContact NH1-OE1 3.3Å; R58-E592 VanDerWaalsContact NH2-N 3.19Å; R58-E592 IonicContact NH2-OE1 3.92Å; R58-E592 PolarHBondContact NH2-OE1 3.28Å; R58-E592 IonicContact NH2-OE2 3.14Å
593S27.8Very low27.3Very low85 Ų85114.6 Ų114.659%0.59465%0.648SS**  85.5106.759.5-172.80000113.1
594R27.4Very low26.8Very low232 Ų232117 Ų11788%0.87565%0.649SS**  trans-168130161.2-104.4161.6-148.3-89.72103.5
595R26.5Very low26.5Very low233 Ų233120.2 Ų120.288%0.87965%0.647SS**  48.6120.166.5-67.3-167.3179.8-152.72.3110.1
596S22Very low26.3Very low96 Ų96122.7 Ų122.767%0.67165%0.647SS**  cis-173.1178.722.542.40000111.1
597H22.5Very low26.2Very low174 Ų174120.9 Ų120.981%0.80664%0.638SS**  trans78.4108.5154.9-89.8-77.6000119.1
598E25.1Very low26.2Very low134 Ų134118 Ų11863%0.62663%0.631SS**  -13.7138.1121.2-89.9-72.4123.400114S600E598-S600 WeakPolarHBondContact OE2-CB 3.47Å; E598-S600 PolarHBondContact OE2-N 2.95Å; E598-S600 PolarHBondContact OE2-OG 3.14Å
599P29Very low26.3Very low124 Ų124123.2 Ų123.281%0.80565%0.646SS**  -137.3145.37338.2-25.2000117.8
600S26.1Very low26.3Very low92 Ų92124.9 Ų124.964%0.64367%0.669SS**  trans-45.3148.1157.9-61.80000115.1E598E598-S600 WeakPolarHBondContact OE2-CB 3.47Å; E598-S600 PolarHBondContact OE2-N 2.95Å; E598-S600 PolarHBondContact OE2-OG 3.14Å
601G26.8Very low27.1Very low68 Ų68129.5 Ų129.570%0.70170%0.697SS**  trans-140112.5155.400000108.5
602M25.7Very low27.1Very low194 Ų194137 Ų13796%0.95673%0.729SS**  67.1110.283.1-74.6171.653.500113.4
603G27Very low27.3Very low71 Ų71134.8 Ų134.873%0.73274%0.737SS**  cis152.1-177.9-11.800000114.1
604H25.1Very low27.8Very low161 Ų161136.4 Ų136.475%0.74575%0.745SS**  trans67.9143.9160.2-112.7-91.6000116.3
605F27.1Very low27.7Very low160 Ų160130 Ų13070%0.70274%0.736SS**  cis-143.1146.628.7-101.8-99.1000113.5
606E26.2Very low27.7Very low149 Ų149127.9 Ų127.970%0.69673%0.733SS**  trans60.6155.9141.9-76.3-173.4143.800121.7
607L30.1Very low27.9Very low117 Ų117132.4 Ų132.461%0.61374%0.737SS**  cis-152.6171.4-3.4-103.8153.2000104.8
608S31.1Very low28Very low86 Ų86132.1 Ų132.160%0.60174%0.736SS**  cis-164.5178.87.2-94.70000106
609R28.1Very low28Very low215 Ų215133 Ų13381%0.81175%0.745SS**  cis-168.6167.4-24.1-92167.8-155.5-149.8-0.6104.4
610G26.6Very low28Very low65 Ų65129 Ų12967%0.6773%0.726SS**  cis107.4133.69.300000112.4
611P39.8Very low28.1Very low118 Ų118130.3 Ų130.377%0.76673%0.731SS**  cis-143.7-165.2-1332-6.8000115
612Q26.5Very low28.2Very low190 Ų190137 Ų13789%0.88873%0.734SS**  trans89.7144.8159.8-54-177.53.200120.3
613G26Very low28.4Very low67 Ų67137.6 Ų137.669%0.69173%0.726SS**  trans-118.4-140.9163.100000109.2
614P40.1Very low28.6Very low118 Ų118144 Ų14477%0.76673%0.728SS**  cis-140173.2-3.943.2-26.2000116.4
615S24.9Very low28.8Very low99 Ų99142.4 Ų142.469%0.69273%0.725SS**  trans76.9149.7147.9870000122.6
616K26.9Very low29Very low188 Ų188143.3 Ų143.382%0.81773%0.734SS**  trans79.4121.2145.8-80.1-175.2177.3-171.50123.1
617Y25.3Very low29.4Very low190 Ų190140.6 Ų140.675%0.74574%0.737SS**  69.8133.7129.4-106.7-112.2000123.1
618E24.8Very low29.7Very low168 Ų168141.1 Ų141.179%0.78575%0.745SS**  trans54.9169.9150.3-77.9176.3173.100118.8
619D24.6Very low29.7Very low153 Ų153144.1 Ų144.182%0.81875%0.752SS**  cis-158.5173.1-35.3175.640.7000107.1
620G28.6Very low30Very low39 Ų39140.2 Ų140.240%0.40274%0.744SS.*  94.756.8128.300000122.4
621T28.5Very low30.1Very low121 Ų121145.3 Ų145.374%0.74275%0.747SS**  trans67.6155136.273.10000123.4
622R29.7Very low29.6Very low207 Ų207150.3 Ų150.378%0.78175%0.752SS**  trans102.3104.6147.2-66149-169-116.50.3122.4
623R29.9Very low31Very low207 Ų207146.6 Ų146.678%0.78174%0.744SS**  72.1133.7115.6-69.2-174.6-169.9-86.74.6123.4
624R31.1Very low32.6Very low205 Ų205148.1 Ų148.177%0.77474%0.742SS**  trans100122.7140.6-76.9-177.5-176.4144-1.1124.4
625D29.8Very low32.3Very low128 Ų128150.7 Ų150.768%0.68474%0.744SS**  73.3109121-46.8-9.9000126.7
626M30.5Very low32.7Very low179 Ų179157.4 Ų157.488%0.88275%0.754SS**  79.3139.1119.2-140.267.984.300127.5
627A34.4Very low32.9Very low93 Ų93154.9 Ų154.977%0.76976%0.755SS**  trans80.8162.3152.200000123.9
628V36.2Very low33.9Very low128 Ų128151.5 Ų151.578%0.77676%0.756SS**  cis-176.4174.1-34.474.20000114.1
629I31.1Very low34.3Very low148 Ų148151.6 Ų151.676%0.75976%0.761SS**  trans82.1156159.5-84.8167.1000121.7
630E34.8Very low34.8Very low134 Ų134150.5 Ų150.563%0.62676%0.759SS**  cis178.9167.2-34.9-153.1-150.2130.300115
631K29.1Very low35.1Very low171 Ų171156.8 Ų156.874%0.74378%0.783SS**  trans105.8167.3155.3-59.9-176.9-174.2-178.10124.1
632Y29.3Very low35.3Very low224 Ų224156 Ų15688%0.87878%0.782SS**  trans-123.50-135.3-96.7-76.2000124.9
633P55.6Low35.4Very low111 Ų111153.2 Ų153.272%0.72178%0.778SS**  00045.9-21.2000117.5
634P60.4Low35.5Very low99 Ų99151.5 Ų151.564%0.64378%0.779SS**  0179.7043.1-23.4000120.5
635H32.9Very low35.4Very low172 Ų172145 Ų14580%0.79678%0.775SS**  trans93131.4139.5-77.4-37.1000131.7
636R33.3Very low35.6Very low240 Ų240145 Ų14591%0.90678%0.78SS**  trans96.2151.6142.8-76.4-176.4179.9-171.31126.7
637T30Very low35.6Very low136 Ų136145.5 Ų145.583%0.83478%0.778SS**  trans-157.40-174590000112.5
638P46.4Very low35.4Very low119 Ų119148.5 Ų148.577%0.77378%0.78SS**  0-161.7046.1-24.4000118.2
639L34Very low35.1Very low169 Ų169145.7 Ų145.789%0.88577%0.77SS**  trans140.6178.3150.9-140.476.9000118.5
640V35.3Very low35.1Very low131 Ų131146.5 Ų146.579%0.79478%0.776SS**  trans-147.6149.9-146.6171.40000117.6
641L33.7Very low34.9Very low170 Ų170147 Ų14789%0.8978%0.782SS**  trans-161.6171.4146.7-113.1170.8000111.1
642S33.8Very low34.9Very low105 Ų105145.5 Ų145.573%0.73478%0.778SS**  trans-148.3175.5-173.5-151.70000110.1
643E31.2Very low35Very low149 Ų149142.1 Ų142.170%0.69677%0.768SS**  cis-141.3-16116.7-67.8179.44200110.2
644H33.1Very low33.5Very low171 Ų171141.6 Ų141.679%0.79277%0.767SS**  cis-152.4178.86.6-36.8-103.2000111.1
645G27.9Very low31.8Very low68 Ų68142.7 Ų142.770%0.70177%0.772SS**  trans134.784.2150.200000120.7
646T35.1Very low31.6Very low128 Ų128143.8 Ų143.879%0.78578%0.777SS**  trans50.1116.8151.149.70000123.7
647F29.7Very low31.3Very low190 Ų190138.2 Ų138.283%0.83378%0.775SS**  trans77.8119.7137.4-81.6-71.7000124.8
648L30.4Very low31.4Very low155 Ų155140.7 Ų140.781%0.81278%0.775SS**  trans76.681142-86.2163000122.8
649A29.2Very low30.7Very low70 Ų70141.3 Ų141.358%0.57977%0.771SS**  trans-38.8162.5134.900000116.3
650D30.8Very low30.3Very low164 Ų164139 Ų13988%0.87777%0.769SS**  cis-154.8162.7-3-110.2-24000112.8
651L30.8Very low30.2Very low145 Ų145139.6 Ų139.676%0.75976%0.763SS**  trans-147149.1175.9-171.175.7000110.8
652E30.1Very low30.1Very low139 Ų139137.8 Ų137.865%0.6575%0.75SS**  trans76.6168.5151.2-110.7-166.811000121.5
653K30.9Very low29.9Very low154 Ų154142.7 Ų142.767%0.6775%0.752SS**  trans69.1101.8154.2-76.8171.3-100.3-79.70121.3
654S25.2Very low29.7Very low99 Ų99139.6 Ų139.669%0.69275%0.753SS**  31.3136.1107.4-164.10000121.6
655T24Very low29.3Very low123 Ų123136.6 Ų136.676%0.75575%0.751SS**  trans65.3110.6146.442.10000121.7
656Q29.2Very low29.2Very low195 Ų195141 Ų14191%0.91176%0.755SS**  trans31.7118.5138.8-65.9-178.4-14.500120.9
657S26.5Very low28.6Very low123 Ų123140 Ų14086%0.8675%0.753SS**  -160.5166.3123.3-162.80000111.6
658F31.2Very low28.7Very low187 Ų187138.4 Ų138.482%0.8275%0.753SS**  trans-117.6160.4-171.8-111.4-116.8000113
659L32Very low28.8Very low132 Ų132136.6 Ų136.669%0.69175%0.75SS**  trans63.3112.1153.2-80.1158.4000121Q661L659-Q661 HydrophobicContact CD2-CG 4Å
660S25.8Very low28.7Very low121 Ų121138.3 Ų138.385%0.84676%0.758SS**  trans-133.898.4138.365.60000111.5
661Q34Very low28.7Very low143 Ų143138.1 Ų138.167%0.66875%0.751SS**  trans-67.2167.5156.7-69.9-175.520.900109.4L659L659-Q661 HydrophobicContact CD2-CG 4Å
662Q32Very low28.4Very low132 Ų132139.3 Ų139.362%0.61775%0.753SS**  cis-154.4174.116.5-133.7168.663.600105.4
663R29.6Very low28.2Very low208 Ų208136 Ų13679%0.78576%0.756SS**  cis-173.7151.538.9-148.7174.1-129.6-162.8-0.3111.4
664A25.9Very low28.1Very low85 Ų85137.9 Ų137.970%0.70277%0.767SS**  trans30.7151.714300000121.9
665S26Very low28.1Very low108 Ų108137.9 Ų137.976%0.75577%0.768SS**  cis-94150.718.554.20000113.9
666M24Very low28.3Very low161 Ų161139.9 Ų139.979%0.79377%0.773SS**  60.1134.155.1-57.4-69.998.500112
667S22.9Very low28.2Very low106 Ų106133.6 Ų133.674%0.74176%0.76SS**  cis-150.4150.615.153.70000114.3
668L31.3Very low28.4Very low157 Ų157136.3 Ų136.382%0.82276%0.761SS**  trans-63.5156.1154-105.4163.5000110
669P33.6Very low28.3Very low116 Ų116132.8 Ų132.875%0.75376%0.756SS**  -147.1167.57539.9-21.7000117.3
670S27.5Very low28.1Very low106 Ų106131.6 Ų131.674%0.74177%0.765SS**  trans-75148.1163.4171.90000111.5
671Q29.5Very low28.2Very low160 Ų160129.1 Ų129.175%0.74876%0.758SS**  trans-153.5149.5153.5-86.9-131.129.400112.9
672H25.4Very low28Very low170 Ų170127.7 Ų127.779%0.78777%0.771SS**  trans-1.4136.7153.3-51.790.4000117.6
673G25.6Very low27.8Very low70 Ų70124.8 Ų124.872%0.72278%0.776SS**  cis104.2132.444.200000110.9
674Q28.5Very low28Very low193 Ų193123.6 Ų123.690%0.90278%0.784SS**  trans71.2110.4166.4-60-175.770.800120.9
675S26.2Very low28.2Very low100 Ų100122.7 Ų122.770%0.69978%0.782SS**  78.6155.4121.9-153.80000121.1
676L28.8Very low29.6Very low165 Ų165123.4 Ų123.486%0.86478%0.784SS**  trans59.2140.4-175.7-57.7100.7000116.2
677G25.8Very low30Very low63 Ų63123.1 Ų123.165%0.64979%0.785SS**  cis141.6124.1-11.900000113.5
678M30.3Very low30.4Very low179 Ų179123.7 Ų123.788%0.88278%0.784SS**  trans68157.1171.3-45-164.187.100113.9
679T29.8Very low30.4Very low114 Ų114121.4 Ų121.470%0.69978%0.782SS**  cis-161.7146.5-8.44.60000109.6
680A27.8Very low30.4Very low107 Ų107125 Ų12588%0.88479%0.789SS**  trans59.4163.9158.900000117.8
681G27.3Very low30.5Very low69 Ų69123.5 Ų123.571%0.71179%0.789SS**  cis171.1137.1-1400000113.1
682A30.9Very low31.1Very low113 Ų113122.3 Ų122.393%0.93480%0.796SS**  trans50.1122.3161.400000121.2
683G27.7Very low31.5Very low70 Ų70117.6 Ų117.672%0.72279%0.792SS**  139.3147.4114.800000119.9
684I33.8Very low32.5Very low184 Ų184120.2 Ų120.294%0.94480%0.797SS**  trans76.5146.6156.2-52178.1000116.6
685G29.5Very low33.4Very low65 Ų65117.2 Ų117.267%0.6779%0.787SS**  trans-122.4-145.4-172.300000114.6
686P56.6Low34.3Very low124 Ų124120.3 Ų120.381%0.80579%0.792SS**  trans-108.4167.7-131.140.4-38.2000116
687L31Very low35Very low154 Ų154116 Ų11681%0.80678%0.781SS**  trans178.3117.5138.9-97.8162.5000115.3
688T31.4Very low36.4Very low118 Ų118118.4 Ų118.472%0.72478%0.778SS**  trans51.8147.5136.553.20000126.8
689S32.1Very low37.3Very low110 Ų110116 Ų11677%0.76977%0.767SS**  trans92.9145.9147.6850000118.3
690Q33.1Very low38Very low192 Ų192119.8 Ų119.890%0.89777%0.77SS**  cis-157.9126.4-0.1-142.7173.91700115.5
691G28.7Very low39Very low73 Ų73118.4 Ų118.475%0.75375%0.748SS**  trans50.1-174.214700000122.8
692P43.7Very low39.9Very low136 Ų136121.1 Ų121.188%0.88374%0.742SS**  cis-116.4174-29.439.6-27000112.5
693G34Very low40.7Very low70 Ų70123.2 Ų123.272%0.72273%0.73SS**  trans-127-179-178.600000115.4
694P44.8Very low41.8Very low126 Ų126125.1 Ų125.182%0.81872%0.724SS**  trans-112.791.1174.936.4-23.5000112.3M696P694-M696 PolarHBondContact O-N 3.46Å
695D48.5Very low42.6Very low129 Ų129121.9 Ų121.969%0.6971%0.705SS**  trans-84.376.4-177-149.6-7.1000111.8
696M44.1Very low43.2Very low165 Ų165124 Ų12481%0.81370%0.697SS**SBendtrans-147.215.9-178.3-111.1-64.4-6600114.1P694P694-M696 PolarHBondContact O-N 3.46Å
697A45.3Very low42.7Very low75 Ų75125.7 Ų125.762%0.6269%0.694SS**SBendtrans-118-30.4179.500000113.8
698L53.8Low43.7Very low114 Ų114129 Ų12960%0.59770%0.695SS**Hα-helixtrans-75.6-30.9-168.8-60.9175.8000113.8Y700 D701 E702L698-Y700 PolarHBondContact O-N 3.32Å; L698-D701 PolarHBondContact O-N 2.9Å; L698-D701 VanDerWaalsContact O-N 3.11Å; L698-E702 PolarHBondContact O-N 2.91Å
699I50.6Low44.7Very low127 Ų127130.3 Ų130.365%0.65169%0.691SS**Hα-helixtrans-61.8-31-176.4-58.6175.4000112
700Y44.1Very low45.5Very low195 Ų195129.8 Ų129.877%0.76569%0.685SS**Hα-helixtrans-83.9-23179.5-135.3-88.3000113.3L698 L704L698-Y700 PolarHBondContact O-N 3.32Å; Y700-L704 HydrophobicContact CD1-CD1 4.23Å
701D48.5Very low46.7Very low77 Ų77124.9 Ų124.941%0.41267%0.668SS.*Hα-helixtrans-78.7-42.4175.8-169.423.5000110.7L698 F703 L704 Q705L698-D701 PolarHBondContact O-N 2.9Å; L698-D701 VanDerWaalsContact O-N 3.11Å; D701-F703 VanDerWaalsContact C-N 3.33Å; D701-F703 PolarHBondContact O-N 3.27Å; D701-L704 PolarHBondContact O-N 3.28Å; D701-L704 VanDerWaalsContact O-N 3.1Å; D701-Q705 WeakPolarHBondContact O-CG 3.43Å; D701-Q705 PolarHBondContact O-N 3.38Å; D701-Q705 WeakPolarHBondContact OD1-CG 3.49Å; D701-Q705 PolarHBondContact OD1-NE2 2.89Å; D701-Q705 PolarHBondContact OD2-NE2 2.87Å
702E46.2Very low48.5Very low127 Ų127122 Ų12259%0.59364%0.637SS**Hα-helixtrans-55.2-45.3178.4-174.1172.9-16000112.4L698 L704 Q705 Q706L698-E702 PolarHBondContact O-N 2.91Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 2.94Å; E702-Q705 PolarHBondContact O-N 3.25Å; E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 2.93Å; E702-Q706 VanDerWaalsContact O-N 3.12Å
703F47.3Very low49.9Very low156 Ų156124.6 Ų124.668%0.68463%0.634SS**Hα-helixtrans-68.9-30.3-179.3-155-92.7000113.2D701D701-F703 VanDerWaalsContact C-N 3.33Å; D701-F703 PolarHBondContact O-N 3.27Å
704L50.8Low51.3Low111 Ų111125.2 Ų125.258%0.58162%0.621SS**Hα-helixtrans-80.5-32.4176.7-76.9168.2000112.5Y700 D701 E702Y700-L704 HydrophobicContact CD1-CD1 4.23Å; D701-L704 PolarHBondContact O-N 3.28Å; D701-L704 VanDerWaalsContact O-N 3.1Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 2.94Å
705Q49.9Very low52.9Low116 Ų116122.7 Ų122.754%0.54260%0.6SS.*Hα-helixtrans-74-33.4176.8-69.6-170.223.400113.2D701 E702 H707 R708D701-Q705 WeakPolarHBondContact O-CG 3.43Å; D701-Q705 PolarHBondContact O-N 3.38Å; D701-Q705 WeakPolarHBondContact OD1-CG 3.49Å; D701-Q705 PolarHBondContact OD1-NE2 2.89Å; D701-Q705 PolarHBondContact OD2-NE2 2.87Å; E702-Q705 PolarHBondContact O-N 3.25Å; Q705-H707 PolarHBondContact O-N 2.79Å; Q705-H707 VanDerWaalsContact O-N 3.13Å; Q705-R708 PolarHBondContact O-N 3.45Å
706Q43.7Very low54.4Low110 Ų110121.7 Ų121.751%0.51459%0.594SS.*Hα-helixtrans-54.3-33.7175.1-72.7-76.8-3.600112.7E702E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 2.93Å; E702-Q706 VanDerWaalsContact O-N 3.12Å
707H45Very low55.9Low159 Ų159118.4 Ų118.474%0.73658%0.577SS**THydrogen-bonded Turntrans-89.3-1178.2-78.2-77.9000115.1Q705Q705-H707 PolarHBondContact O-N 2.79Å; Q705-H707 VanDerWaalsContact O-N 3.13Å
708R51.4Low57.5Low222 Ų222118.2 Ų118.284%0.83856%0.563SS**  trans-115.232.2-176.6-102.8-177.3173174.2-1.5115Q705 P710Q705-R708 PolarHBondContact O-N 3.45Å; R708-P710 WeakPolarHBondContact O-CD 3.27Å
709K52.7Low58.8Low146 Ų146119 Ų11964%0.63556%0.562SS**  trans-64.9125.9163.2-68.2176.6-177.1167.90109.5V711K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.42Å
710P50.3Low60.1Low100 Ų100121.3 Ų121.365%0.64956%0.562SS**  trans-76.77917830.9-34.7000111R261 R708R261-P710 PolarHBondContact NH2-O 2.85Å; R261-P710 VanDerWaalsContact NH2-O 3.08Å; R708-P710 WeakPolarHBondContact O-CD 3.27Å
711V57Low61.5Low88 Ų88117 Ų11753%0.53355%0.545SS..  trans-55128.8168.8179.60000108.8K709 D715 L716K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.42Å; V711-D715 HydrophobicContact CG1-CB 3.59Å; V711-L716 HydrophobicContact CG1-CB 4.33Å
712S66.8Low62.8Low14 Ų14120 Ų12010%0.09855%0.55CS.*  trans-64.2153.4175.5-176.50000110.4D263 L714 D715 L716D263-S712 PolarHBondContact OD2-OG 2.89Å; S712-L714 PolarHBondContact O-N 2.83Å; S712-L714 PolarHBondContact OG-N 2.74Å; S712-D715 VanDerWaalsContact CB-OD2 3.27Å; S712-D715 WeakPolarHBondContact CB-OD2 3.35Å; S712-D715 PolarHBondContact N-OD2 2.99Å; S712-D715 WeakPolarHBondContact O-CB 3.41Å; S712-D715 PolarHBondContact O-N 2.86Å; S712-D715 VanDerWaalsContact O-N 3.17Å; S712-L716 PolarHBondContact O-N 3.46Å
713K72.2Confident64.4Low189 Ų189117.5 Ų117.582%0.82254%0.538SS*.Hα-helixtrans-55.2-37166.6-74.9-174.4176.9-179.80110.5L716 E717K713-L716 PolarHBondContact O-N 3.14Å; K713-E717 WeakPolarHBondContact O-CB 3.5Å; K713-E717 PolarHBondContact O-N 2.92Å
714L64.3Low65.6Low84 Ų84112 Ų11244%0.4452%0.522SS..Hα-helixtrans-66.6-40.4178.5-159152.3000111.8S712 L716 E717 E718S712-L714 PolarHBondContact O-N 2.83Å; S712-L714 PolarHBondContact OG-N 2.74Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 3.06Å; L714-E717 PolarHBondContact O-N 3.4Å; L714-E718 WeakPolarHBondContact O-CB 3.27Å; L714-E718 PolarHBondContact O-N 3.49Å
715D78.8Confident66.6Low72 Ų72114.4 Ų114.439%0.38552%0.523SS..Hα-helixtrans-63.6-39.8172.9-57.9-35000111.8V711 S712 E718 K719V711-D715 HydrophobicContact CG1-CB 3.59Å; S712-D715 VanDerWaalsContact CB-OD2 3.27Å; S712-D715 WeakPolarHBondContact CB-OD2 3.35Å; S712-D715 PolarHBondContact N-OD2 2.99Å; S712-D715 WeakPolarHBondContact O-CB 3.41Å; S712-D715 PolarHBondContact O-N 2.86Å; S712-D715 VanDerWaalsContact O-N 3.17Å; D715-E718 PolarHBondContact O-N 2.92Å; D715-K719 VanDerWaalsContact O-CB 3.22Å; D715-K719 WeakPolarHBondContact O-CB 3.28Å; D715-K719 PolarHBondContact O-N 3.42Å
716L79.4Confident67.3Low109 Ų109116.7 Ų116.757%0.57153%0.534SS*.Hα-helixtrans-70.9-38.6179.7-165.371.8000111.5V711 S712 K713 L714 R720V711-L716 HydrophobicContact CG1-CB 4.33Å; S712-L716 PolarHBondContact O-N 3.46Å; K713-L716 PolarHBondContact O-N 3.14Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 3.06Å; L716-R720 WeakPolarHBondContact O-CB 3.35Å; L716-R720 PolarHBondContact O-N 3.27Å
717E76.3Confident68.7Low96 Ų96117.5 Ų117.545%0.44954%0.536SS..Hα-helixtrans-64.4-44.7172-167.184.5-105.100111.1K713 L714 R720 R721K713-E717 WeakPolarHBondContact O-CB 3.5Å; K713-E717 PolarHBondContact O-N 2.92Å; L714-E717 PolarHBondContact O-N 3.4Å; E717-R720 PolarHBondContact O-N 3.15Å; E717-R721 VanDerWaalsContact CG-NH2 3.32Å; E717-R721 VanDerWaalsContact O-CB 3.26Å; E717-R721 WeakPolarHBondContact O-CB 3.37Å; E717-R721 PolarHBondContact O-N 2.91Å
718E78.4Confident69.2Low71 Ų71112.7 Ų112.733%0.33253%0.529SS..Hα-helixtrans-68.6-38.1177.9-151.8-111.1124.400111.4L714 D715 R721 R722L714-E718 WeakPolarHBondContact O-CB 3.27Å; L714-E718 PolarHBondContact O-N 3.49Å; D715-E718 PolarHBondContact O-N 2.92Å; E718-R721 PolarHBondContact O-N 3.35Å; E718-R722 VanDerWaalsContact O-CB 3.31Å; E718-R722 WeakPolarHBondContact O-CB 3.2Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-CZ 3.45Å; E718-R722 IonicContact OE1-NE 3.73Å; E718-R722 PolarHBondContact OE1-NE 2.91Å; E718-R722 IonicContact OE1-NH2 2.72Å; E718-R722 PolarHBondContact OE1-NH2 3.26Å; E718-R722 IonicContact OE2-CZ 3.96Å; E718-R722 IonicContact OE2-NH2 2.82Å; E718-R722 PolarHBondContact OE2-NH2 2.93Å
719K81.4Confident69.1Low130 Ų130111 Ų11157%0.56552%0.524SS*.Hα-helixtrans-61.4-47.7170.2-175.1179.6177.8-175.90111.7D715 R721 R722 E723D715-K719 VanDerWaalsContact O-CB 3.22Å; D715-K719 WeakPolarHBondContact O-CB 3.28Å; D715-K719 PolarHBondContact O-N 3.42Å; K719-R721 VanDerWaalsContact C-N 3.31Å; K719-R721 PolarHBondContact O-N 3.4Å; K719-R722 WeakPolarHBondContact O-CB 3.42Å; K719-R722 PolarHBondContact O-N 2.94Å; K719-E723 VanDerWaalsContact O-CB 3.3Å; K719-E723 WeakPolarHBondContact O-CB 3.29Å; K719-E723 PolarHBondContact O-N 3.19Å
720R78.6Confident68.5Low176 Ų176111.7 Ų111.766%0.66452%0.524SS*.Hα-helixtrans-59.4-41.3174.8174.9-175.4-99.5-170.4-7.8111.5L716 E717 E723 A724L716-R720 WeakPolarHBondContact O-CB 3.35Å; L716-R720 PolarHBondContact O-N 3.27Å; E717-R720 PolarHBondContact O-N 3.15Å; R720-E723 PolarHBondContact O-N 2.97Å; R720-A724 WeakPolarHBondContact O-CB 3.41Å; R720-A724 PolarHBondContact O-N 3.27Å
721R73.4Confident68.4Low104 Ų104116.5 Ų116.539%0.39253%0.53SS..Hα-helixtrans-68.4-32.9177.4-167.9-176-62.8112.10.8112.5E717 E718 K719 R725E717-R721 VanDerWaalsContact CG-NH2 3.32Å; E717-R721 VanDerWaalsContact O-CB 3.26Å; E717-R721 WeakPolarHBondContact O-CB 3.37Å; E717-R721 PolarHBondContact O-N 2.91Å; E718-R721 PolarHBondContact O-N 3.35Å; K719-R721 VanDerWaalsContact C-N 3.31Å; K719-R721 PolarHBondContact O-N 3.4Å; R721-R725 WeakPolarHBondContact O-CG 3.32Å; R721-R725 PolarHBondContact O-N 3Å
722R75.8Confident67.8Low140 Ų140120.3 Ų120.353%0.52854%0.542SS..Hα-helixtrans-70.9-45.5172.9-161.8179.5-60.4167.60.2110.8E718 K719 A724 R725 E726E718-R722 VanDerWaalsContact O-CB 3.31Å; E718-R722 WeakPolarHBondContact O-CB 3.2Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-CZ 3.45Å; E718-R722 IonicContact OE1-NE 3.73Å; E718-R722 PolarHBondContact OE1-NE 2.91Å; E718-R722 IonicContact OE1-NH2 2.72Å; E718-R722 PolarHBondContact OE1-NH2 3.26Å; E718-R722 IonicContact OE2-CZ 3.96Å; E718-R722 IonicContact OE2-NH2 2.82Å; E718-R722 PolarHBondContact OE2-NH2 2.93Å; K719-R722 WeakPolarHBondContact O-CB 3.42Å; K719-R722 PolarHBondContact O-N 2.94Å; R722-A724 VanDerWaalsContact C-N 3.34Å; R722-A724 PolarHBondContact O-N 3.21Å; R722-R725 WeakPolarHBondContact O-CB 3.46Å; R722-R725 PolarHBondContact O-N 3.37Å; R722-E726 WeakPolarHBondContact O-CB 3.32Å; R722-E726 PolarHBondContact O-N 3.34Å
723E78.6Confident66.6Low74 Ų74126.1 Ų126.135%0.34657%0.572SS.*Hα-helixtrans-63.4-35.2175.8-172179.8166.400112.5K719 R720 E726 K727K719-E723 VanDerWaalsContact O-CB 3.3Å; K719-E723 WeakPolarHBondContact O-CB 3.29Å; K719-E723 PolarHBondContact O-N 3.19Å; R720-E723 PolarHBondContact O-N 2.97Å; E723-E726 PolarHBondContact O-N 3.24Å; E723-K727 HydrophobicContact CG-CD 3.99Å; E723-K727 HydrophobicContact CG-CG 4.48Å; E723-K727 VanDerWaalsContact O-CB 3.28Å; E723-K727 WeakPolarHBondContact O-CB 3.27Å; E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.31Å; E723-K727 PolarHBondContact O-N 3Å; E723-K727 WeakPolarHBondContact OE1-CE 3.29Å; E723-K727 IonicContact OE1-NZ 2.69Å; E723-K727 PolarHBondContact OE1-NZ 3.2Å
724A73.2Confident65.2Low41 Ų41123.6 Ų123.634%0.33957%0.567SS.*Hα-helixtrans-65.7-40.3174.100000112.7R720 R722 G728 Y729R720-A724 WeakPolarHBondContact O-CB 3.41Å; R720-A724 PolarHBondContact O-N 3.27Å; R722-A724 VanDerWaalsContact C-N 3.34Å; R722-A724 PolarHBondContact O-N 3.21Å; A724-G728 PolarHBondContact O-N 3.37Å; A724-Y729 PolarHBondContact O-N 3.29Å
725R71.4Confident64.5Low162 Ų162127.8 Ų127.861%0.61159%0.59SS**Hα-helixtrans-66.7-43.1173-68.7167.9178.5144.7-4.6111.5R721 R722 G728R721-R725 WeakPolarHBondContact O-CG 3.32Å; R721-R725 PolarHBondContact O-N 3Å; R722-R725 WeakPolarHBondContact O-CB 3.46Å; R722-R725 PolarHBondContact O-N 3.37Å; R725-G728 PolarHBondContact O-N 2.94Å
726E65.7Low63.2Low164 Ų164128.8 Ų128.877%0.76660%0.603SS**Hα-helixtrans-66.1-34.6178.8-173173.5-16700112.7R722 E723 G728R722-E726 WeakPolarHBondContact O-CB 3.32Å; R722-E726 PolarHBondContact O-N 3.34Å; E723-E726 PolarHBondContact O-N 3.24Å; E726-G728 VanDerWaalsContact C-N 3.31Å; E726-G728 PolarHBondContact O-N 3.17Å
727K71.3Confident61.6Low127 Ų127132.7 Ų132.755%0.55261%0.611SS**THydrogen-bonded Turntrans-84.43.7175.9-70.8178173.1174.60114.5E723 Y729E723-K727 HydrophobicContact CG-CD 3.99Å; E723-K727 HydrophobicContact CG-CG 4.48Å; E723-K727 VanDerWaalsContact O-CB 3.28Å; E723-K727 WeakPolarHBondContact O-CB 3.27Å; E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.31Å; E723-K727 PolarHBondContact O-N 3Å; E723-K727 WeakPolarHBondContact OE1-CE 3.29Å; E723-K727 IonicContact OE1-NZ 2.69Å; E723-K727 PolarHBondContact OE1-NZ 3.2Å; K727-Y729 HydrophobicContact CB-CD2 3.85Å; K727-Y729 HydrophobicContact CB-CE2 4.31Å; K727-Y729 WeakPolarHBondContact O-CD2 3.27Å; K727-Y729 PolarHBondContact O-N 2.94Å
728G56Low60.5Low58 Ų58132.9 Ų132.960%0.59862%0.615SS**THydrogen-bonded Turntrans69.913.4177.900000115.3A724 R725 E726 Y730A724-G728 PolarHBondContact O-N 3.37Å; R725-G728 PolarHBondContact O-N 2.94Å; E726-G728 VanDerWaalsContact C-N 3.31Å; E726-G728 PolarHBondContact O-N 3.17Å; G728-Y730 PolarHBondContact O-N 3.13Å
729Y49Very low59.4Low185 Ų185137.1 Ų137.173%0.72564%0.635SS**  trans-81.140.3172.9-74.5-89.3000111.7A724 K727 Y731A724-Y729 PolarHBondContact O-N 3.29Å; K727-Y729 HydrophobicContact CB-CD2 3.85Å; K727-Y729 HydrophobicContact CB-CE2 4.31Å; K727-Y729 WeakPolarHBondContact O-CD2 3.27Å; K727-Y729 PolarHBondContact O-N 2.94Å; Y729-Y731 PolarHBondContact O-N 3.21Å
730Y40.3Very low58.4Low162 Ų162134.2 Ų134.264%0.63563%0.631SS**  trans-84.998.3159.7-169.7-114.4000106.2G728 E732 L733G728-Y730 PolarHBondContact O-N 3.13Å; Y730-E732 PolarHBondContact O-N 3.35Å; Y730-L733 HydrophobicContact CE2-CD1 4.37Å; Y730-L733 WeakPolarHBondContact OH-CD1 3.38Å
731Y47.9Very low57.9Low201 Ų201130.2 Ų130.279%0.78862%0.623SS**  trans-54.2125.8153-89.1-102.2000106.2Y729Y729-Y731 PolarHBondContact O-N 3.21Å
732E44.2Very low57.9Low168 Ų168130 Ų13079%0.78563%0.627SS**  trans-56.7147.1161.6-58.9-166.2141.900107.5Y730 D734Y730-E732 PolarHBondContact O-N 3.35Å; E732-D734 VanDerWaalsContact C-N 3.33Å; E732-D734 PolarHBondContact O-N 2.76Å
733L43.3Very low58Low136 Ų136127.4 Ų127.471%0.71262%0.62SS**  trans-68.599.2176.1-87.970.1000107.4Y730 D735Y730-L733 HydrophobicContact CE2-CD1 4.37Å; Y730-L733 WeakPolarHBondContact OH-CD1 3.38Å; L733-D735 PolarHBondContact O-N 3.09Å
734D42.3Very low58.1Low135 Ų135129.5 Ų129.572%0.72263%0.63SS**  trans-58.7131.8169.4-136.2-22.3000108E732 S736E732-D734 VanDerWaalsContact C-N 3.33Å; E732-D734 PolarHBondContact O-N 2.76Å; D734-S736 PolarHBondContact O-N 2.92Å
735D48.8Very low58.6Low172 Ų172131.7 Ų131.792%0.9264%0.639SS**SBendtrans-75.549-172.6-80.2-46.8000112L733L733-D735 PolarHBondContact O-N 3.09Å
736S51Low59.1Low94 Ų94129.1 Ų129.166%0.65763%0.63SS**  trans-140.133.6-174.881.50000113.9D734 D738D734-S736 PolarHBondContact O-N 2.92Å; S736-D738 PolarHBondContact O-N 3.08Å
737Y45.8Very low59.9Low190 Ų190122.8 Ų122.875%0.74561%0.605SS**  trans-81.2103.1164.1-145-86.5000108.3
738D53.5Low60.5Low100 Ų100121.6 Ų121.654%0.53560%0.601SS.*  trans-70.3128.3-173.6-166.8-24.7000111.1S736 S740 D741S736-D738 PolarHBondContact O-N 3.08Å; D738-S740 PolarHBondContact O-N 2.74Å; D738-S740 VanDerWaalsContact O-N 3.1Å; D738-S740 WeakPolarHBondContact OD1-CB 3.36Å; D738-S740 PolarHBondContact OD1-N 2.76Å; D738-D741 PolarHBondContact O-N 3.42Å
739E56.6Low62Low160 Ų160124 Ų12475%0.74860%0.6SS**Hα-helixtrans-59.2-21.3174.8-63.5-169.9142.200112.3D741 E742 E743E739-D741 VanDerWaalsContact C-N 3.32Å; E739-D741 PolarHBondContact O-N 3.28Å; E739-E742 PolarHBondContact O-N 3.04Å; E739-E743 PolarHBondContact O-N 2.95Å
740S59.9Low63.6Low69 Ų69121 Ų12148%0.48359%0.587SS.*Hα-helixtrans-58.3-39172.6-174.60000112.8D738 E743 E744D738-S740 PolarHBondContact O-N 2.74Å; D738-S740 VanDerWaalsContact O-N 3.1Å; D738-S740 WeakPolarHBondContact OD1-CB 3.36Å; D738-S740 PolarHBondContact OD1-N 2.76Å; S740-E743 PolarHBondContact O-N 2.75Å; S740-E744 PolarHBondContact O-N 2.97Å
741D67.4Low65.6Low93 Ų93119.3 Ų119.350%0.49758%0.579SS.*Hα-helixtrans-69.8-37.1-179.9-81.85.6000110.8D738 E739 V745D738-D741 PolarHBondContact O-N 3.42Å; E739-D741 VanDerWaalsContact C-N 3.32Å; E739-D741 PolarHBondContact O-N 3.28Å; D741-V745 WeakPolarHBondContact O-CB 3.41Å; D741-V745 VanDerWaalsContact O-CG2 3.26Å; D741-V745 WeakPolarHBondContact O-CG2 3.47Å; D741-V745 PolarHBondContact O-N 3Å
742E74.9Confident67.1Low100 Ų100112.8 Ų112.847%0.46756%0.561SS.*Hα-helixtrans-66.4-40170.6-74.4-154.3-168.600112.1E739 V745 R746E739-E742 PolarHBondContact O-N 3.04Å; E742-V745 PolarHBondContact O-N 3.06Å; E742-R746 WeakPolarHBondContact O-CB 3.35Å; E742-R746 WeakPolarHBondContact O-CD 3.24Å; E742-R746 WeakPolarHBondContact O-CG 3.29Å; E742-R746 PolarHBondContact O-N 3.19Å; E742-R746 IonicContact OE2-CZ 2.75Å; E742-R746 IonicContact OE2-NE 3.31Å; E742-R746 IonicContact OE2-NH2 3.46Å; E742-R746 PolarHBondContact OE2-NH2 3.08Å
743E77.4Confident68.5Low85 Ų85109 Ų10940%0.39756%0.558SS.*Hα-helixtrans-68.7-36.5178.2-168.157.7-149.500112.2E739 S740 R746 A747 R750E739-E743 PolarHBondContact O-N 2.95Å; S740-E743 PolarHBondContact O-N 2.75Å; E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 WeakPolarHBondContact OE2-CD 3.33Å; E743-R746 IonicContact OE2-CZ 3.71Å; E743-R746 IonicContact OE2-NH1 3.99Å; E743-R746 PolarHBondContact OE2-NH1 3.48Å; E743-A747 VanDerWaalsContact O-CB 3.24Å; E743-A747 WeakPolarHBondContact O-CB 3.34Å; E743-A747 PolarHBondContact O-N 3.44Å; E743-R750 IonicContact OE1-CZ 3.18Å; E743-R750 IonicContact OE1-NH2 2.72Å; E743-R750 PolarHBondContact OE1-NH2 3.41Å
744E79.9Confident70.1Confident118 Ų118109.5 Ų109.555%0.55156%0.556SS**Hα-helixtrans-66-43.1169.9174.6145.3-143.600111.5S740 R746 A747 H748 R751S740-E744 PolarHBondContact O-N 2.97Å; E744-R746 PolarHBondContact O-N 3.42Å; E744-A747 CarbonylContact O-C 3.03Å; E744-A747 PolarHBondContact O-N 3.49Å; E744-A747 VanDerWaalsContact O-N 3.11Å; E744-H748 WeakPolarHBondContact O-CB 3.34Å; E744-H748 PolarHBondContact O-N 2.85Å; E744-R751 IonicContact OE1-NH2 2.8Å; E744-R751 PolarHBondContact OE1-NH2 2.8Å
745V83.2Confident71.6Confident87 Ų87108.7 Ų108.753%0.52755%0.548SS..Hα-helixtrans-62.4-41.3175.4168.30000111.2D741 E742 A747 H748 L749D741-V745 WeakPolarHBondContact O-CB 3.41Å; D741-V745 VanDerWaalsContact O-CG2 3.26Å; D741-V745 WeakPolarHBondContact O-CG2 3.47Å; D741-V745 PolarHBondContact O-N 3Å; E742-V745 PolarHBondContact O-N 3.06Å; V745-A747 VanDerWaalsContact C-N 3.34Å; V745-A747 PolarHBondContact O-N 2.82Å; V745-H748 PolarHBondContact O-N 3.06Å; V745-L749 HydrophobicContact CG1-CD1 3.93Å; V745-L749 HydrophobicContact CG1-CG 4.47Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.22Å; V745-L749 PolarHBondContact O-N 3.05Å
746R83Confident72.7Confident108 Ų108106 Ų10641%0.40854%0.54SS..Hα-helixtrans-63.7-36.5172-68.3166.4-150.8152-0.6112E742 E743 E744 R750E742-R746 WeakPolarHBondContact O-CB 3.35Å; E742-R746 WeakPolarHBondContact O-CD 3.24Å; E742-R746 WeakPolarHBondContact O-CG 3.29Å; E742-R746 PolarHBondContact O-N 3.19Å; E742-R746 IonicContact OE2-CZ 2.75Å; E742-R746 IonicContact OE2-NE 3.31Å; E742-R746 IonicContact OE2-NH2 3.46Å; E742-R746 PolarHBondContact OE2-NH2 3.08Å; E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 WeakPolarHBondContact OE2-CD 3.33Å; E743-R746 IonicContact OE2-CZ 3.71Å; E743-R746 IonicContact OE2-NH1 3.99Å; E743-R746 PolarHBondContact OE2-NH1 3.48Å; E744-R746 PolarHBondContact O-N 3.42Å; R746-R750 WeakPolarHBondContact O-CB 3.35Å; R746-R750 WeakPolarHBondContact O-CG 3.45Å; R746-R750 PolarHBondContact O-N 2.95Å; R746-R750 PolarHBondContact O-NE 3.11Å
747A81.3Confident73.5Confident30 Ų30107.3 Ų107.325%0.24855%0.547CS..Hα-helixtrans-74.9-28.3175.400000112.7E743 E744 V745 R751E743-A747 VanDerWaalsContact O-CB 3.24Å; E743-A747 WeakPolarHBondContact O-CB 3.34Å; E743-A747 PolarHBondContact O-N 3.44Å; E744-A747 CarbonylContact O-C 3.03Å; E744-A747 PolarHBondContact O-N 3.49Å; E744-A747 VanDerWaalsContact O-N 3.11Å; V745-A747 VanDerWaalsContact C-N 3.34Å; V745-A747 PolarHBondContact O-N 2.82Å; A747-R751 WeakPolarHBondContact O-CB 3.48Å; A747-R751 VanDerWaalsContact O-CG 3.25Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.36Å; A747-R751 VanDerWaalsContact O-N 3.08Å; A747-R751 PolarHBondContact O-NE 2.92Å
748H84.8Confident74.7Confident103 Ų103106.4 Ų106.448%0.47755%0.554SS.*Hα-helixtrans-72.6-48.1171.3-173.890.4000110.6E744 V745 R750 R751 V752E744-H748 WeakPolarHBondContact O-CB 3.34Å; E744-H748 PolarHBondContact O-N 2.85Å; V745-H748 PolarHBondContact O-N 3.06Å; H748-R750 VanDerWaalsContact C-N 3.3Å; H748-R750 PolarHBondContact O-N 3.33Å; H748-R751 CarbonylContact O-C 3.14Å; H748-R751 WeakPolarHBondContact O-CA 3.39Å; H748-R751 WeakPolarHBondContact O-CB 3.44Å; H748-R751 PolarHBondContact O-N 2.8Å; H748-R751 VanDerWaalsContact O-N 3.07Å; H748-V752 WeakPolarHBondContact O-CG2 3.48Å; H748-V752 PolarHBondContact O-N 2.75Å
749L87.4Confident75.5Confident108 Ų108111.5 Ų111.557%0.56557%0.571SS**Hα-helixtrans-59.1-38.9174.8-74.9166.7000112.1V745 V752 A753V745-L749 HydrophobicContact CG1-CD1 3.93Å; V745-L749 HydrophobicContact CG1-CG 4.47Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.22Å; V745-L749 PolarHBondContact O-N 3.05Å; L749-V752 PolarHBondContact O-N 3.24Å; L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.07Å
750R82.6Confident76.1Confident122 Ų122108.6 Ų108.646%0.4656%0.56SS.*Hα-helixtrans-59.9-52.9168.5-81.9-179.1-77.3173.3-8.2111.9E743 R746 H748 V752 A753 E754E743-R750 IonicContact OE1-CZ 3.18Å; E743-R750 IonicContact OE1-NH2 2.72Å; E743-R750 PolarHBondContact OE1-NH2 3.41Å; R746-R750 WeakPolarHBondContact O-CB 3.35Å; R746-R750 WeakPolarHBondContact O-CG 3.45Å; R746-R750 PolarHBondContact O-N 2.95Å; R746-R750 PolarHBondContact O-NE 3.11Å; H748-R750 VanDerWaalsContact C-N 3.3Å; H748-R750 PolarHBondContact O-N 3.33Å; R750-V752 PolarHBondContact O-N 3.17Å; R750-V752 VanDerWaalsContact O-N 3.17Å; R750-A753 PolarHBondContact O-N 3.06Å; R750-A753 VanDerWaalsContact O-N 3.14Å; R750-E754 VanDerWaalsContact O-CB 3.29Å; R750-E754 WeakPolarHBondContact O-CB 3.46Å; R750-E754 VanDerWaalsContact O-CG 3.27Å; R750-E754 WeakPolarHBondContact O-CG 3.3Å; R750-E754 PolarHBondContact O-N 2.81Å
751R81.8Confident76.7Confident126 Ų126109.6 Ų109.648%0.47556%0.56SS.*Hα-helixtrans-57.6-28.5176.4-76.5175.5-72.9171.3-4.9113.9E744 A747 H748 Q755E744-R751 IonicContact OE1-NH2 2.8Å; E744-R751 PolarHBondContact OE1-NH2 2.8Å; A747-R751 WeakPolarHBondContact O-CB 3.48Å; A747-R751 VanDerWaalsContact O-CG 3.25Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.36Å; A747-R751 VanDerWaalsContact O-N 3.08Å; A747-R751 PolarHBondContact O-NE 2.92Å; H748-R751 CarbonylContact O-C 3.14Å; H748-R751 WeakPolarHBondContact O-CA 3.39Å; H748-R751 WeakPolarHBondContact O-CB 3.44Å; H748-R751 PolarHBondContact O-N 2.8Å; H748-R751 VanDerWaalsContact O-N 3.07Å; R751-Q755 WeakPolarHBondContact O-CG 3.39Å
752V79.3Confident77.1Confident65 Ų65109.3 Ų109.339%0.39456%0.559SS.*Hα-helixtrans-80.7-42.9175.3172.40000111.5H748 L749 R750 E754 Q755H748-V752 WeakPolarHBondContact O-CG2 3.48Å; H748-V752 PolarHBondContact O-N 2.75Å; L749-V752 PolarHBondContact O-N 3.24Å; R750-V752 PolarHBondContact O-N 3.17Å; R750-V752 VanDerWaalsContact O-N 3.17Å; V752-E754 VanDerWaalsContact C-N 3.28Å; V752-E754 PolarHBondContact O-N 2.96Å; V752-Q755 WeakPolarHBondContact O-CB 3.1Å; V752-Q755 WeakPolarHBondContact O-CG 3.46Å; V752-Q755 PolarHBondContact O-N 3.36Å
753A75.3Confident77.6Confident87 Ų87106.6 Ų106.672%0.71955%0.551SS**Hα-helixtrans-70.3-22.7175.800000113.5L749 R750 Q755L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.07Å; R750-A753 PolarHBondContact O-N 3.06Å; R750-A753 VanDerWaalsContact O-N 3.14Å; A753-Q755 VanDerWaalsContact C-N 3.33Å
754E76.2Confident77.7Confident147 Ų147107.5 Ų107.569%0.68756%0.562SS**THydrogen-bonded Turntrans-83.1-4.6172.3-72.6169.1-164.900113.2R750 V752R750-E754 VanDerWaalsContact O-CB 3.29Å; R750-E754 WeakPolarHBondContact O-CB 3.46Å; R750-E754 VanDerWaalsContact O-CG 3.27Å; R750-E754 WeakPolarHBondContact O-CG 3.3Å; R750-E754 PolarHBondContact O-N 2.81Å; V752-E754 VanDerWaalsContact C-N 3.28Å; V752-E754 PolarHBondContact O-N 2.96Å
755Q74.2Confident78Confident118 Ų118109.3 Ų109.355%0.55157%0.571SS**SBendtrans-62.9144169.3-65.3-175.620.300109.8R751 V752 A753R751-Q755 WeakPolarHBondContact O-CG 3.39Å; V752-Q755 WeakPolarHBondContact O-CB 3.1Å; V752-Q755 WeakPolarHBondContact O-CG 3.46Å; V752-Q755 PolarHBondContact O-N 3.36Å; A753-Q755 VanDerWaalsContact C-N 3.33Å
756P71.9Confident78Confident115 Ų115108.6 Ų108.675%0.74756%0.561SS**PPolyproline II helixtrans-53.1126.7171.5-23.933.7000109L758P756-L758 PolarHBondContact O-N 3.47Å; P756-L758 VanDerWaalsContact O-N 3.14Å
757P67.3Low78.2Confident123 Ų123104.9 Ų104.980%0.79955%0.549SS*.PPolyproline II helixtrans-56.7127-177.322-32.6000108.8K759P757-K759 PolarHBondContact O-N 3.03Å; P757-K759 VanDerWaalsContact O-N 3.15Å
758L70.3Confident78.4Confident171 Ų171109.3 Ų109.390%0.89556%0.564SS**PPolyproline II helixtrans-46.8125.3173.7-75.2165.1000107.8P756 L760P756-L758 PolarHBondContact O-N 3.47Å; P756-L758 VanDerWaalsContact O-N 3.14Å; L758-L760 PolarHBondContact O-N 3.46Å
759K70.2Confident78.6Confident206 Ų206109.6 Ų109.690%0.89656%0.564SS**PPolyproline II helixtrans-51.2117.9-179.7-76.1-170.5175.3-172.60107.6P757 D761P757-K759 PolarHBondContact O-N 3.03Å; P757-K759 VanDerWaalsContact O-N 3.15Å; K759-D761 PolarHBondContact O-N 3.3Å; K759-D761 VanDerWaalsContact O-N 3.11Å
760L70.1Confident78.7Confident99 Ų99106.3 Ų106.352%0.51855%0.547SS..PPolyproline II helixtrans-61.1121.4174-168.766.7000105.8L758 D762 T777L758-L760 PolarHBondContact O-N 3.46Å; L760-D762 PolarHBondContact O-N 3.49Å; L760-T777 HydrophobicContact CD2-CG2 3.53Å
761D72.8Confident78.9Confident90 Ų90104.1 Ų104.148%0.48155%0.547SS..  trans-64.2107.6169.6160.952.6000107.4K759 S763 K766K759-D761 PolarHBondContact O-N 3.3Å; K759-D761 VanDerWaalsContact O-N 3.11Å; D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 VanDerWaalsContact CG-OG 3.27Å; D761-S763 WeakPolarHBondContact OD1-CB 3.48Å; D761-S763 PolarHBondContact OD1-N 2.93Å; D761-S763 PolarHBondContact OD1-OG 3.02Å; D761-S763 PolarHBondContact OD2-OG 3.44Å; D761-K766 WeakPolarHBondContact O-CD 3.45Å; D761-K766 WeakPolarHBondContact O-CE 3.31Å; D761-K766 PolarHBondContact O-NZ 3.28Å; D761-K766 VanDerWaalsContact OD2-CD 3.25Å; D761-K766 WeakPolarHBondContact OD2-CD 3.21Å; D761-K766 IonicContact OD2-NZ 2.74Å; D761-K766 PolarHBondContact OD2-NZ 3.1Å
762D76.2Confident79.4Confident88 Ų88104.9 Ų104.947%0.47156%0.558SS.*  trans-97.432.5179.6-71.4-46000110.3L760 L767L760-D762 PolarHBondContact O-N 3.49Å; D762-L767 HydrophobicContact CB-CD1 4.3Å; D762-L767 VanDerWaalsContact O-CD1 3.3Å; D762-L767 WeakPolarHBondContact O-CD1 3.29Å
763S83.7Confident79.9Confident43 Ų43109.1 Ų109.130%0.30157%0.568SS.*  trans-52.6138.4172.152.70000111.7D761 E765 K766 L767D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 VanDerWaalsContact CG-OG 3.27Å; D761-S763 WeakPolarHBondContact OD1-CB 3.48Å; D761-S763 PolarHBondContact OD1-N 2.93Å; D761-S763 PolarHBondContact OD1-OG 3.02Å; D761-S763 PolarHBondContact OD2-OG 3.44Å; S763-E765 PolarHBondContact O-N 3.06Å; S763-K766 PolarHBondContact O-N 3.28Å; S763-K766 VanDerWaalsContact O-N 3.08Å; S763-K766 WeakPolarHBondContact OG-CB 3.23Å; S763-L767 WeakPolarHBondContact O-CG 3.45Å; S763-L767 PolarHBondContact O-N 2.94Å
764T81.3Confident80.5Confident104 Ų104110.5 Ų110.564%0.63857%0.572SS**Hα-helixtrans-57.8-47.7-174.645.10000112K766 L767 E768T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.11Å; T764-L767 CarbonylContact O-C 3.46Å; T764-L767 PolarHBondContact O-N 3.33Å; T764-L767 VanDerWaalsContact O-N 3.1Å; T764-E768 WeakPolarHBondContact O-CB 3.33Å; T764-E768 WeakPolarHBondContact O-CG 3.44Å; T764-E768 PolarHBondContact O-N 2.99Å
765E84.4Confident81.2Confident156 Ų156108.4 Ų108.473%0.72957%0.565SS**Hα-helixtrans-51.8-41.8175-177.6-178.4-169.700112.6S763 F769S763-E765 PolarHBondContact O-N 3.06Å; E765-F769 VanDerWaalsContact O-CB 3.26Å; E765-F769 WeakPolarHBondContact O-CB 3.35Å; E765-F769 PolarHBondContact O-N 2.59Å
766K85.1Confident81.9Confident72 Ų72105.7 Ų105.731%0.31356%0.557SS.*Hα-helixtrans-77-34.8179.9-177.2178.8164.8-159.80112.7D761 S763 T764 L770D761-K766 WeakPolarHBondContact O-CD 3.45Å; D761-K766 WeakPolarHBondContact O-CE 3.31Å; D761-K766 PolarHBondContact O-NZ 3.28Å; D761-K766 VanDerWaalsContact OD2-CD 3.25Å; D761-K766 WeakPolarHBondContact OD2-CD 3.21Å; D761-K766 IonicContact OD2-NZ 2.74Å; D761-K766 PolarHBondContact OD2-NZ 3.1Å; S763-K766 PolarHBondContact O-N 3.28Å; S763-K766 VanDerWaalsContact O-N 3.08Å; S763-K766 WeakPolarHBondContact OG-CB 3.23Å; T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.11Å; K766-L770 WeakPolarHBondContact O-CB 3.3Å; K766-L770 VanDerWaalsContact O-CG 3.28Å; K766-L770 WeakPolarHBondContact O-CG 3.2Å; K766-L770 PolarHBondContact O-N 3Å
767L86.1Confident82.6Confident30 Ų30100.9 Ų100.916%0.15753%0.525CS..Hα-helixtrans-67.4-37.8171.8-67179.3000111.4D762 S763 T764 T771 T777D762-L767 HydrophobicContact CB-CD1 4.3Å; D762-L767 VanDerWaalsContact O-CD1 3.3Å; D762-L767 WeakPolarHBondContact O-CD1 3.29Å; S763-L767 WeakPolarHBondContact O-CG 3.45Å; S763-L767 PolarHBondContact O-N 2.94Å; T764-L767 CarbonylContact O-C 3.46Å; T764-L767 PolarHBondContact O-N 3.33Å; T764-L767 VanDerWaalsContact O-N 3.1Å; L767-T771 WeakPolarHBondContact O-CB 3.42Å; L767-T771 PolarHBondContact O-N 3.19Å; L767-T771 PolarHBondContact O-OG1 3Å; L767-T777 HydrophobicContact CD2-CG2 3.41Å; L767-T777 VanDerWaalsContact CD2-CG2 3.41Å
768E85.4Confident83.4Confident122 Ų12299.3 Ų99.357%0.5751%0.514SS*.Hα-helixtrans-68.1-45.2173.4-74.8169.3-156.300111.2T764 L770 T771 M772T764-E768 WeakPolarHBondContact O-CB 3.33Å; T764-E768 WeakPolarHBondContact O-CG 3.44Å; T764-E768 PolarHBondContact O-N 2.99Å; E768-L770 PolarHBondContact O-N 2.89Å; E768-T771 CarbonylContact O-C 3.5Å; E768-T771 WeakPolarHBondContact O-CA 3.49Å; E768-T771 WeakPolarHBondContact O-CB 3.38Å; E768-T771 PolarHBondContact O-N 3.37Å; E768-M772 WeakPolarHBondContact O-CG 3.46Å; E768-M772 PolarHBondContact O-N 2.79Å
769F89.9Confident84Confident109 Ų10994.6 Ų94.648%0.47850%0.495SS..Hα-helixtrans-55.4-49.6172.1178.1-89000111.8E765 T771 M772 Y773E765-F769 VanDerWaalsContact O-CB 3.26Å; E765-F769 WeakPolarHBondContact O-CB 3.35Å; E765-F769 PolarHBondContact O-N 2.59Å; F769-T771 VanDerWaalsContact C-N 3.28Å; F769-T771 PolarHBondContact O-N 2.86Å; F769-M772 HydrophobicContact CB-CE 4.38Å; F769-M772 HydrophobicContact CD2-CE 4.17Å; F769-M772 PolarHBondContact O-N 3.29Å; F769-Y773 HydrophobicContact CD1-CD2 4.39Å; F769-Y773 HydrophobicContact CD2-CE2 4.15Å; F769-Y773 HydrophobicContact CE1-CD2 4.06Å; F769-Y773 HydrophobicContact CE1-CE2 4.1Å; F769-Y773 HydrophobicContact CE2-CD2 4.32Å; F769-Y773 AromaticContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CZ-CD2 4.03Å; F769-Y773 AromaticContact CZ-CE2 3.58Å; F769-Y773 HydrophobicContact CZ-CE2 3.58Å; F769-Y773 VanDerWaalsContact O-CD2 3.31Å; F769-Y773 WeakPolarHBondContact O-CD2 3.34Å; F769-Y773 PolarHBondContact O-N 2.98Å
770L88.9Confident84.7Confident40 Ų4090.9 Ų90.921%0.20948%0.475CS..Hα-helixtrans-57.8-43.5173.6-73.4169.6000111.1K766 E768 M772 Y773 S774 L775 T777K766-L770 WeakPolarHBondContact O-CB 3.3Å; K766-L770 VanDerWaalsContact O-CG 3.28Å; K766-L770 WeakPolarHBondContact O-CG 3.2Å; K766-L770 PolarHBondContact O-N 3Å; E768-L770 PolarHBondContact O-N 2.89Å; L770-M772 PolarHBondContact O-N 3.4Å; L770-Y773 CarbonylContact O-C 3.53Å; L770-Y773 PolarHBondContact O-N 3.38Å; L770-Y773 VanDerWaalsContact O-N 3.13Å; L770-S774 PolarHBondContact O-N 2.85Å; L770-L775 CarbonylContact C-O 3.52Å; L770-L775 VanDerWaalsContact C-O 3.24Å; L770-L775 HydrophobicContact CB-CB 4.14Å; L770-L775 HydrophobicContact CD2-CB 3.83Å; L770-L775 HydrophobicContact CD2-CD1 4.08Å; L770-L775 CarbonylContact O-C 3.46Å; L770-L775 WeakPolarHBondContact O-CA 3.42Å; L770-L775 WeakPolarHBondContact O-CB 3.31Å; L770-L775 PolarHBondContact O-N 3.25Å; L770-L775 VanDerWaalsContact O-O 3.12Å; L770-T777 HydrophobicContact CD1-CG2 4.14Å
771T87.4Confident85.5Confident76 Ų7692.1 Ų92.147%0.46647%0.473SS..Hα-helixtrans-63.9-37.3179.6-57.90000112.5L767 E768 F769 Y773 S774L767-T771 WeakPolarHBondContact O-CB 3.42Å; L767-T771 PolarHBondContact O-N 3.19Å; L767-T771 PolarHBondContact O-OG1 3Å; E768-T771 CarbonylContact O-C 3.5Å; E768-T771 WeakPolarHBondContact O-CA 3.49Å; E768-T771 WeakPolarHBondContact O-CB 3.38Å; E768-T771 PolarHBondContact O-N 3.37Å; F769-T771 VanDerWaalsContact C-N 3.28Å; F769-T771 PolarHBondContact O-N 2.86Å; T771-Y773 PolarHBondContact O-N 3.24Å; T771-S774 WeakPolarHBondContact O-CA 3.29Å; T771-S774 PolarHBondContact O-N 2.87Å
772M91.4Very high86.2Confident142 Ų14290.8 Ų90.870%0.747%0.466SS*.Hα-helixtrans-58-36.2173.4-71.7-165.4-74.800112.1E768 F769 L770 S774E768-M772 WeakPolarHBondContact O-CG 3.46Å; E768-M772 PolarHBondContact O-N 2.79Å; F769-M772 HydrophobicContact CB-CE 4.38Å; F769-M772 HydrophobicContact CD2-CE 4.17Å; F769-M772 PolarHBondContact O-N 3.29Å; L770-M772 PolarHBondContact O-N 3.4Å; M772-S774 VanDerWaalsContact C-N 3.31Å
773Y90.2Very high86.9Confident153 Ų15390.8 Ų90.860%0.646%0.463SS*.THydrogen-bonded Turntrans-90.314175-66.3-75.5000113.8F769 L770 T771 L775F769-Y773 HydrophobicContact CD1-CD2 4.39Å; F769-Y773 HydrophobicContact CD2-CE2 4.15Å; F769-Y773 HydrophobicContact CE1-CD2 4.06Å; F769-Y773 HydrophobicContact CE1-CE2 4.1Å; F769-Y773 HydrophobicContact CE2-CD2 4.32Å; F769-Y773 AromaticContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CZ-CD2 4.03Å; F769-Y773 AromaticContact CZ-CE2 3.58Å; F769-Y773 HydrophobicContact CZ-CE2 3.58Å; F769-Y773 VanDerWaalsContact O-CD2 3.31Å; F769-Y773 WeakPolarHBondContact O-CD2 3.34Å; F769-Y773 PolarHBondContact O-N 2.98Å; L770-Y773 CarbonylContact O-C 3.53Å; L770-Y773 PolarHBondContact O-N 3.38Å; L770-Y773 VanDerWaalsContact O-N 3.13Å; T771-Y773 PolarHBondContact O-N 3.24Å; Y773-L775 PolarHBondContact O-N 3.01Å; Y773-L775 VanDerWaalsContact O-N 3.16Å
774S88.4Confident87.2Confident116 Ų11692.6 Ų92.681%0.81147%0.469SS*.THydrogen-bonded Turntrans57.521-175.5-59.10000114.8L770 T771 M772L770-S774 PolarHBondContact O-N 2.85Å; T771-S774 WeakPolarHBondContact O-CA 3.29Å; T771-S774 PolarHBondContact O-N 2.87Å; M772-S774 VanDerWaalsContact C-N 3.31Å
775L89.7Confident87.5Confident104 Ų10491.2 Ų91.255%0.54546%0.46SS..  trans-93.4162.4173.3-58.8179.6000110.4L770 Y773L770-L775 CarbonylContact C-O 3.52Å; L770-L775 VanDerWaalsContact C-O 3.24Å; L770-L775 HydrophobicContact CB-CB 4.14Å; L770-L775 HydrophobicContact CD2-CB 3.83Å; L770-L775 HydrophobicContact CD2-CD1 4.08Å; L770-L775 CarbonylContact O-C 3.46Å; L770-L775 WeakPolarHBondContact O-CA 3.42Å; L770-L775 WeakPolarHBondContact O-CB 3.31Å; L770-L775 PolarHBondContact O-N 3.25Å; L770-L775 VanDerWaalsContact O-O 3.12Å; Y773-L775 PolarHBondContact O-N 3.01Å; Y773-L775 VanDerWaalsContact O-N 3.16Å
776T88.6Confident87.7Confident60 Ų6088.4 Ų88.437%0.36845%0.447SS..  trans-156164.9172.6-156.60000110.2R780 R781T776-R780 WeakPolarHBondContact OG1-CD 3.39Å; T776-R781 HydrophobicContact CG2-CB 3.92Å
777T86.8Confident88Confident14 Ų1490.6 Ų90.69%0.08646%0.458CS..  trans-69.1155.4-177.970.40000111.4L760 L767 L770 S779 R780 R781L760-T777 HydrophobicContact CD2-CG2 3.53Å; L767-T777 HydrophobicContact CD2-CG2 3.41Å; L767-T777 VanDerWaalsContact CD2-CG2 3.41Å; L770-T777 HydrophobicContact CD1-CG2 4.14Å; T777-S779 PolarHBondContact O-N 2.82Å; T777-R780 PolarHBondContact O-N 3.1Å; T777-R780 WeakPolarHBondContact OG1-CB 3.38Å; T777-R780 PolarHBondContact OG1-N 3.22Å; T777-R781 WeakPolarHBondContact O-CB 3.39Å; T777-R781 PolarHBondContact O-N 3.38Å
778V84.9Confident88.2Confident91 Ų9195.7 Ų95.755%0.55248%0.479SS*.Hα-helixtrans-59.4-37.7-179.1177.10000111.3D782V778-D782 WeakPolarHBondContact O-CB 3.45Å; V778-D782 VanDerWaalsContact O-CG 3.25Å; V778-D782 PolarHBondContact O-N 3.31Å
779S83.1Confident88.2Confident71 Ų7197.3 Ų97.350%0.49748%0.48SS..Hα-helixtrans-62.9-54.3174.1-158.90000111.4T777 R781 D782 E783T777-S779 PolarHBondContact O-N 2.82Å; S779-R781 VanDerWaalsContact C-N 3.27Å; S779-R781 PolarHBondContact O-N 3.43Å; S779-D782 CarbonylContact O-C 3.56Å; S779-D782 PolarHBondContact O-N 2.92Å; S779-E783 VanDerWaalsContact C-OE1 3.24Å; S779-E783 WeakPolarHBondContact CB-OE1 3.44Å; S779-E783 WeakPolarHBondContact O-CB 3.38Å; S779-E783 VanDerWaalsContact O-CG 3.29Å; S779-E783 WeakPolarHBondContact O-CG 3.28Å; S779-E783 PolarHBondContact O-N 3.24Å; S779-E783 PolarHBondContact OG-OE1 2.87Å
780R84.2Confident88.1Confident128 Ų12898.7 Ų98.748%0.48348%0.482SS..Hα-helixtrans-62.2-33.1-178.4-166.7165.8-178.7-178.81112.5T776 T777 L784T776-R780 WeakPolarHBondContact OG1-CD 3.39Å; T777-R780 PolarHBondContact O-N 3.1Å; T777-R780 WeakPolarHBondContact OG1-CB 3.38Å; T777-R780 PolarHBondContact OG1-N 3.22Å; R780-L784 WeakPolarHBondContact O-CB 3.3Å; R780-L784 PolarHBondContact O-N 2.82Å
781R88Confident88.1Confident125 Ų125102.9 Ų102.947%0.47250%0.499SS..Hα-helixtrans-62.6-49.8169.7-175-161.372.1-169.4-2111.5T776 T777 S779 L784 V785T776-R781 HydrophobicContact CG2-CB 3.92Å; T777-R781 WeakPolarHBondContact O-CB 3.39Å; T777-R781 PolarHBondContact O-N 3.38Å; S779-R781 VanDerWaalsContact C-N 3.27Å; S779-R781 PolarHBondContact O-N 3.43Å; R781-L784 WeakPolarHBondContact O-CB 3.47Å; R781-L784 PolarHBondContact O-N 2.76Å; R781-V785 WeakPolarHBondContact O-CG2 3.24Å; R781-V785 PolarHBondContact O-N 3.35Å
782D87.7Confident88.2Confident63 Ų63105.1 Ų105.134%0.33750%0.498SS..Hα-helixtrans-75-30.4-174.2-70-6.5000112V778 S779 V785 Q786V778-D782 WeakPolarHBondContact O-CB 3.45Å; V778-D782 VanDerWaalsContact O-CG 3.25Å; V778-D782 PolarHBondContact O-N 3.31Å; S779-D782 CarbonylContact O-C 3.56Å; S779-D782 PolarHBondContact O-N 2.92Å; D782-V785 PolarHBondContact O-N 2.89Å; D782-Q786 WeakPolarHBondContact O-CB 3.44Å; D782-Q786 WeakPolarHBondContact O-CG 3.35Å; D782-Q786 PolarHBondContact O-N 3.47Å
783E90.4Very high87.9Confident87 Ų87100.9 Ų100.941%0.40748%0.475SS..Hα-helixtrans-61-48.1164.4-71.9157.4-135.900111.5S779 V785 Q786 Q787S779-E783 VanDerWaalsContact C-OE1 3.24Å; S779-E783 WeakPolarHBondContact CB-OE1 3.44Å; S779-E783 WeakPolarHBondContact O-CB 3.38Å; S779-E783 VanDerWaalsContact O-CG 3.29Å; S779-E783 WeakPolarHBondContact O-CG 3.28Å; S779-E783 PolarHBondContact O-N 3.24Å; S779-E783 PolarHBondContact OG-OE1 2.87Å; E783-V785 VanDerWaalsContact C-N 3.29Å; E783-V785 PolarHBondContact O-N 3.37Å; E783-Q786 CarbonylContact O-C 3.57Å; E783-Q786 WeakPolarHBondContact O-CA 3.45Å; E783-Q786 WeakPolarHBondContact O-CB 3.47Å; E783-Q786 PolarHBondContact O-N 2.87Å; E783-Q786 VanDerWaalsContact O-N 3.1Å; E783-Q787 WeakPolarHBondContact O-CG 3.11Å; E783-Q787 PolarHBondContact O-N 2.75Å
784L88.5Confident87.7Confident82 Ų82102.7 Ų102.743%0.42948%0.48SS..Hα-helixtrans-61.1-38.4175.9-166.382.6000111.6R780 R781 Q787 K788R780-L784 WeakPolarHBondContact O-CB 3.3Å; R780-L784 PolarHBondContact O-N 2.82Å; R781-L784 WeakPolarHBondContact O-CB 3.47Å; R781-L784 PolarHBondContact O-N 2.76Å; L784-Q787 PolarHBondContact O-N 2.75Å; L784-K788 WeakPolarHBondContact O-CB 3.42Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.15Å; L784-K788 PolarHBondContact O-N 2.93Å
785V88.8Confident87.6Confident75 Ų75103.6 Ų103.646%0.45547%0.474SS..Hα-helixtrans-66.4-40.5173.2170.30000111.2R781 D782 E783 K788 R789R781-V785 WeakPolarHBondContact O-CG2 3.24Å; R781-V785 PolarHBondContact O-N 3.35Å; D782-V785 PolarHBondContact O-N 2.89Å; E783-V785 VanDerWaalsContact C-N 3.29Å; E783-V785 PolarHBondContact O-N 3.37Å; V785-K788 PolarHBondContact O-N 3.34Å; V785-R789 WeakPolarHBondContact O-CB 3.43Å; V785-R789 PolarHBondContact O-N 3.11Å
786Q88.6Confident87.4Confident97 Ų97103.3 Ų103.345%0.45347%0.472SS..Hα-helixtrans-63.3-44.3172.7-79-172.95900112D782 E783 R789 R790D782-Q786 WeakPolarHBondContact O-CB 3.44Å; D782-Q786 WeakPolarHBondContact O-CG 3.35Å; D782-Q786 PolarHBondContact O-N 3.47Å; E783-Q786 CarbonylContact O-C 3.57Å; E783-Q786 WeakPolarHBondContact O-CA 3.45Å; E783-Q786 WeakPolarHBondContact O-CB 3.47Å; E783-Q786 PolarHBondContact O-N 2.87Å; E783-Q786 VanDerWaalsContact O-N 3.1Å; Q786-R789 CarbonylContact O-C 3.55Å; Q786-R789 PolarHBondContact O-N 3.44Å; Q786-R790 VanDerWaalsContact O-CG 3.3Å; Q786-R790 WeakPolarHBondContact O-CG 3.47Å; Q786-R790 PolarHBondContact O-N 2.79Å
787Q90.3Very high87.2Confident118 Ų118108.9 Ų108.955%0.55149%0.486SS*.Hα-helixtrans-60.9-47.2175.7-73.3-178.1600110.7E783 L784 R789 R790 K791E783-Q787 WeakPolarHBondContact O-CG 3.11Å; E783-Q787 PolarHBondContact O-N 2.75Å; L784-Q787 PolarHBondContact O-N 2.75Å; Q787-R789 VanDerWaalsContact C-N 3.31Å; Q787-R789 PolarHBondContact O-N 2.89Å; Q787-R790 CarbonylContact O-C 3.48Å; Q787-R790 WeakPolarHBondContact O-CB 3.3Å; Q787-R790 PolarHBondContact O-N 3.48Å; Q787-R790 VanDerWaalsContact O-N 3.09Å; Q787-K791 PolarHBondContact O-N 2.71Å
788K90.6Very high87Confident137 Ų137111.6 Ų111.660%0.59650%0.498SS*.Hα-helixtrans-57.6-41.3173-74.7172.3179.8178.30111.6L784 V785 K791 R792L784-K788 WeakPolarHBondContact O-CB 3.42Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.15Å; L784-K788 PolarHBondContact O-N 2.93Å; V785-K788 PolarHBondContact O-N 3.34Å; K788-K791 PolarHBondContact O-N 3.11Å; K788-R792 WeakPolarHBondContact O-CB 3.38Å; K788-R792 PolarHBondContact O-N 3.41Å
789R86.8Confident86.7Confident156 Ų156118.5 Ų118.559%0.58951%0.514SS*.Hα-helixtrans-69-34.7174.1-161.6-171.4-74.9-149.80.8112.7V785 Q786 Q787 R793V785-R789 WeakPolarHBondContact O-CB 3.43Å; V785-R789 PolarHBondContact O-N 3.11Å; Q786-R789 CarbonylContact O-C 3.55Å; Q786-R789 PolarHBondContact O-N 3.44Å; Q787-R789 VanDerWaalsContact C-N 3.31Å; Q787-R789 PolarHBondContact O-N 2.89Å; R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 WeakPolarHBondContact O-CG 3.5Å; R789-R793 PolarHBondContact O-N 2.84Å; R789-R793 VanDerWaalsContact O-N 3.08Å; R789-R793 PolarHBondContact O-NE 2.95Å
790R86.2Confident86.1Confident138 Ų138120.4 Ų120.452%0.52153%0.528SS..Hα-helixtrans-65.6-47.7172.3-70.2174.1-160.1-166.57.8110.3Q786 Q787 R793 R794Q786-R790 VanDerWaalsContact O-CG 3.3Å; Q786-R790 WeakPolarHBondContact O-CG 3.47Å; Q786-R790 PolarHBondContact O-N 2.79Å; Q787-R790 CarbonylContact O-C 3.48Å; Q787-R790 WeakPolarHBondContact O-CB 3.3Å; Q787-R790 PolarHBondContact O-N 3.48Å; Q787-R790 VanDerWaalsContact O-N 3.09Å; R790-R793 PolarHBondContact O-N 3.12Å; R790-R794 PolarHBondContact O-N 2.96Å
791K90.4Very high85.3Confident128 Ų128118 Ų11856%0.55753%0.528SS*.Hα-helixtrans-60.3-47.8175.9-177.2168.8-179.5172.30111.9Q787 K788 R793 R794 M795Q787-K791 PolarHBondContact O-N 2.71Å; K788-K791 PolarHBondContact O-N 3.11Å; K791-R793 PolarHBondContact O-N 3.33Å; K791-R794 PolarHBondContact O-N 3.23Å; K791-M795 HydrophobicContact CD-SD 4.31Å; K791-M795 HydrophobicContact CG-CG 4.49Å; K791-M795 HydrophobicContact CG-SD 3.7Å; K791-M795 WeakPolarHBondContact O-CG 3.28Å; K791-M795 PolarHBondContact O-N 2.92Å
792R89.8Confident83.2Confident122 Ų122117.1 Ų117.146%0.4654%0.541SS..Hα-helixtrans-57-45.1174.7-178.8178.9165.4-71.4-10.2112.1K788 R794 M795 L796 E798K788-R792 WeakPolarHBondContact O-CB 3.38Å; K788-R792 PolarHBondContact O-N 3.41Å; R792-R794 PolarHBondContact O-N 2.91Å; R792-M795 PolarHBondContact O-N 2.74Å; R792-L796 HydrophobicContact CG-CD1 3.66Å; R792-L796 HydrophobicContact CG-CG 4.27Å; R792-L796 VanDerWaalsContact CZ-CD1 3.46Å; R792-L796 VanDerWaalsContact NH2-CD1 3.35Å; R792-L796 WeakPolarHBondContact O-CB 3.25Å; R792-L796 WeakPolarHBondContact O-CG 3.39Å; R792-L796 PolarHBondContact O-N 3.01Å; R792-E798 IonicContact CZ-OE1 2.65Å; R792-E798 IonicContact CZ-OE2 3.13Å; R792-E798 IonicContact NH1-OE1 2.78Å; R792-E798 PolarHBondContact NH1-OE1 3.43Å; R792-E798 IonicContact NH1-OE2 3.79Å; R792-E798 PolarHBondContact NH1-OE2 3.43Å; R792-E798 IonicContact NH2-OE1 3.45Å; R792-E798 PolarHBondContact NH2-OE1 3.23Å
793R85.1Confident81.6Confident54 Ų54119.6 Ų119.620%0.20456%0.561CS.*Hα-helixtrans-61.5-41.7177.2-81.6173.3-69.3-153.26112.8R789 R790 K791 R797 E798R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 WeakPolarHBondContact O-CG 3.5Å; R789-R793 PolarHBondContact O-N 2.84Å; R789-R793 VanDerWaalsContact O-N 3.08Å; R789-R793 PolarHBondContact O-NE 2.95Å; R790-R793 PolarHBondContact O-N 3.12Å; K791-R793 PolarHBondContact O-N 3.33Å; R793-R797 WeakPolarHBondContact O-CA 3.4Å; R793-R797 PolarHBondContact O-N 3.26Å; R793-R797 VanDerWaalsContact O-N 3.08Å; R793-E798 HydrophobicContact CB-CB 4.24Å; R793-E798 HydrophobicContact CG-CB 3.93Å; R793-E798 WeakPolarHBondContact CG-OE2 3.26Å; R793-E798 PolarHBondContact O-N 2.96Å
794R85.8Confident79.6Confident190 Ų190121 Ų12172%0.71758%0.578SS**Hα-helixtrans-62.5-51.6174.9-69.3-166.4-65.2-131.38.9111.5R790 K791 R792 L796 R797R790-R794 PolarHBondContact O-N 2.96Å; K791-R794 PolarHBondContact O-N 3.23Å; R792-R794 PolarHBondContact O-N 2.91Å; R794-L796 PolarHBondContact O-N 2.97Å; R794-R797 PolarHBondContact O-N 3.31Å
795M86.5Confident77.3Confident136 Ų136121.9 Ų121.967%0.6760%0.597SS**Hα-helixtrans-59.9-42.4179.8-73.1165.152.700112.9K791 R792 R797K791-M795 HydrophobicContact CD-SD 4.31Å; K791-M795 HydrophobicContact CG-CG 4.49Å; K791-M795 HydrophobicContact CG-SD 3.7Å; K791-M795 WeakPolarHBondContact O-CG 3.28Å; K791-M795 PolarHBondContact O-N 2.92Å; R792-M795 PolarHBondContact O-N 2.74Å; M795-R797 VanDerWaalsContact C-N 3.3Å; M795-R797 PolarHBondContact O-N 3.09Å
796L84.8Confident75.1Confident98 Ų98123.1 Ų123.151%0.51361%0.609SS.*THydrogen-bonded Turntrans-88.77.7-179.5-61.6179.8000113.8R792 R794 E798R792-L796 HydrophobicContact CG-CD1 3.66Å; R792-L796 HydrophobicContact CG-CG 4.27Å; R792-L796 VanDerWaalsContact CZ-CD1 3.46Å; R792-L796 VanDerWaalsContact NH2-CD1 3.35Å; R792-L796 WeakPolarHBondContact O-CB 3.25Å; R792-L796 WeakPolarHBondContact O-CG 3.39Å; R792-L796 PolarHBondContact O-N 3.01Å; R794-L796 PolarHBondContact O-N 2.97Å; L796-E798 HydrophobicContact CB-CG 3.93Å; L796-E798 PolarHBondContact O-N 2.86Å
797R84.8Confident72.9Confident176 Ų176125.6 Ų125.666%0.66462%0.62SS**THydrogen-bonded Turntrans45.833.5-175.1-58.8-174.6178.6-1570.4113.5R793 R794 M795R793-R797 WeakPolarHBondContact O-CA 3.4Å; R793-R797 PolarHBondContact O-N 3.26Å; R793-R797 VanDerWaalsContact O-N 3.08Å; R794-R797 PolarHBondContact O-N 3.31Å; M795-R797 VanDerWaalsContact C-N 3.3Å; M795-R797 PolarHBondContact O-N 3.09Å
798E80.9Confident70.5Confident72 Ų72124 Ų12434%0.33662%0.622SS.*PPolyproline II helixtrans-68135.8-178.5-76.1178.1154.800110.4R792 R793 L796 S800R792-E798 IonicContact CZ-OE1 2.65Å; R792-E798 IonicContact CZ-OE2 3.13Å; R792-E798 IonicContact NH1-OE1 2.78Å; R792-E798 PolarHBondContact NH1-OE1 3.43Å; R792-E798 IonicContact NH1-OE2 3.79Å; R792-E798 PolarHBondContact NH1-OE2 3.43Å; R792-E798 IonicContact NH2-OE1 3.45Å; R792-E798 PolarHBondContact NH2-OE1 3.23Å; R793-E798 HydrophobicContact CB-CB 4.24Å; R793-E798 HydrophobicContact CG-CB 3.93Å; R793-E798 WeakPolarHBondContact CG-OE2 3.26Å; R793-E798 PolarHBondContact O-N 2.96Å; L796-E798 HydrophobicContact CB-CG 3.93Å; L796-E798 PolarHBondContact O-N 2.86Å; E798-S800 PolarHBondContact O-N 2.92Å
799R79.9Confident68.6Low235 Ų235124.3 Ų124.389%0.88762%0.624SS**PPolyproline II helixtrans-52.7129.7177-68.7-172.3-178-134.87.4110.5
800S70.8Confident66.7Low112 Ų112127.4 Ų127.478%0.78364%0.635SS**PPolyproline II helixtrans-50.2128.6174.3-62.30000110.3E798 S802E798-S800 PolarHBondContact O-N 2.92Å; S800-S802 PolarHBondContact O-N 3.32Å
801P66.6Low64.9Low76 Ų76126.6 Ų126.649%0.49465%0.646SS.*PPolyproline II helixtrans-59.8142.4168-9.821.3000108.6
802S44.1Very low62.6Low107 Ų107125.6 Ų125.675%0.74865%0.652SS**PPolyproline II helixtrans-49.5134.8165.1-46.70000108.9S800S800-S802 PolarHBondContact O-N 3.32Å
803P53.2Low60.9Low115 Ų115125 Ų12575%0.74766%0.664SS**PPolyproline II helixtrans-55.8133.5172.924-32.7000108.3A805P803-A805 PolarHBondContact O-N 3.4Å
804P48.4Very low59.6Low118 Ų118127.8 Ų127.877%0.76669%0.689SS**PPolyproline II helixtrans-59.4134.4179.725.7-33.7000108.7S806P804-S806 VanDerWaalsContact C-N 3.35Å; P804-S806 PolarHBondContact O-N 2.87Å
805A41.1Very low58.3Low100 Ų100123.7 Ų123.783%0.82669%0.687SS**  trans-62.495.4-178.900000109.8P803 Q807P803-A805 PolarHBondContact O-N 3.4Å; A805-Q807 PolarHBondContact O-N 3.4Å
806S41.6Very low56.9Low100 Ų100122.9 Ų122.970%0.69969%0.692SS**  trans-71.5116.3-17345.80000109.5P804 S808P804-S806 VanDerWaalsContact C-N 3.35Å; P804-S806 PolarHBondContact O-N 2.87Å; S806-S808 PolarHBondContact O-N 3.09Å
807Q43.7Very low55.3Low150 Ų150122.7 Ų122.770%0.70171%0.705SS**  trans-74.538.9172.2-63-165.74300112A805A805-Q807 PolarHBondContact O-N 3.4Å
808S39.3Very low53.6Low84 Ų84122.4 Ų122.459%0.58771%0.711SS**  trans-80.3128.4170.3-176.90000108.8S806 R810S806-S808 PolarHBondContact O-N 3.09Å; S808-R810 PolarHBondContact O-N 3.39Å
809K51.6Low52Low144 Ų144127.4 Ų127.463%0.62674%0.739SS**  trans-76.860.9172.1-65.2-175.7-178.1-179.70110.3D140D140-K809 IonicContact OD1-NZ 3.36Å; D140-K809 PolarHBondContact OD1-NZ 3.13Å; D140-K809 IonicContact OD2-NZ 2.72Å; D140-K809 PolarHBondContact OD2-NZ 2.86Å
810R45.8Very low50.8Low221 Ų221121.4 Ų121.483%0.83473%0.733SS**  trans-87.4138.8170-152.8169.5-167.7167.83.3108S808S808-R810 PolarHBondContact O-N 3.39Å
811T48Very low50.6Low120 Ų120119.7 Ų119.774%0.73672%0.718SS**  trans-43.7137.9167.4-44.10000109.2
812P43.9Very low51.1Low107 Ų107127.7 Ų127.770%0.69574%0.738SS**PPolyproline II helixtrans-51.8137.4173.922.8-34.1000108.9
813P53.5Low52.4Low110 Ų110129 Ų12971%0.71473%0.731SS**PPolyproline II helixtrans-55.2149.2171.726.3-34.1000108.5
814P57Low53.8Low113 Ų113126.3 Ų126.373%0.73471%0.712SS**PPolyproline II helixtrans-51.1135.8172.524.2-33.7000108.1
815P58Low55.2Low103 Ų103123.6 Ų123.667%0.66970%0.695SS**PPolyproline II helixtrans-54.3135.9-17622.8-33.2000108.7A817P815-A817 PolarHBondContact O-N 3.41Å
816P57.4Low57.1Low120 Ų120121.9 Ų121.978%0.77967%0.669SS**PPolyproline II helixtrans-52.8131.3-179.723.6-33.8000108.1Q818P816-Q818 PolarHBondContact O-N 3.14Å
817A52.3Low59Low93 Ų93121.3 Ų121.377%0.76966%0.656SS**  trans-44.8116.6-168.100000109.9P815 L819P815-A817 PolarHBondContact O-N 3.41Å; A817-L819 PolarHBondContact O-N 3.42Å
818Q48.7Very low60.6Low171 Ų171118.5 Ų118.580%0.79964%0.644SS**  trans-52.1130.9-170.9-72-178.5-18.400108.8P816 S820P816-Q818 PolarHBondContact O-N 3.14Å; Q818-S820 PolarHBondContact O-N 2.99Å
819L46.2Very low62.6Low176 Ų176116 Ų11692%0.92162%0.624SS**  trans-69.475.6178.5-68.5176.8000109.3A817 T821A817-L819 PolarHBondContact O-N 3.42Å; L819-T821 PolarHBondContact O-N 3.49Å
820S54.8Low64Low109 Ų109118.1 Ų118.176%0.76263%0.628SS**  trans-74.791.7-172-169.30000109.5Q818Q818-S820 PolarHBondContact O-N 2.99Å
821T68.1Low65.8Low77 Ų77108.8 Ų108.847%0.47260%0.598SS.*  trans-60.2139.8164.1144.30000108.8L819 F823 M828L819-T821 PolarHBondContact O-N 3.49Å; T821-F823 PolarHBondContact O-N 3.19Å; T821-F823 PolarHBondContact OG1-N 3.49Å; T821-F823 PolarHBondContact OG1-O 3.26Å; T821-F823 VanDerWaalsContact OG1-O 3.06Å; T821-M828 HydrophobicContact CG2-SD 4.38Å
822R75.9Confident67.2Low244 Ų244109 Ų10992%0.92160%0.602SS**SBendtrans-71.9-10.2175.2-69.3-172.2178.2-172.2-0.1113.6
823F72.7Confident69.1Low134 Ų134109.1 Ų109.159%0.58859%0.593SS**SBendtrans-98.4138.7177.9-56-75.3000110.4T821 E827 M828T821-F823 PolarHBondContact O-N 3.19Å; T821-F823 PolarHBondContact OG1-N 3.49Å; T821-F823 PolarHBondContact OG1-O 3.26Å; T821-F823 VanDerWaalsContact OG1-O 3.06Å; F823-E827 VanDerWaalsContact CA-OE2 3.29Å; F823-E827 WeakPolarHBondContact CA-OE2 3.2Å; F823-E827 HydrophobicContact CB-CB 4.3Å; F823-M828 HydrophobicContact CB-CG 3.92Å
824T81.3Confident70.7Confident58 Ų58104.9 Ų104.936%0.35656%0.564SS.*  trans-66.9152.9167.763.60000110.5E826 E827 M828T824-E826 PolarHBondContact O-N 2.85Å; T824-E826 VanDerWaalsContact O-N 3.15Å; T824-E827 WeakPolarHBondContact CB-OE1 3.3Å; T824-E827 VanDerWaalsContact CG2-OE1 3.25Å; T824-E827 WeakPolarHBondContact CG2-OE1 3.21Å; T824-E827 PolarHBondContact N-OE2 3.43Å; T824-E827 WeakPolarHBondContact O-CB 3.46Å; T824-E827 PolarHBondContact O-N 3.41Å; T824-E827 VanDerWaalsContact OG1-CG 3.32Å; T824-E827 WeakPolarHBondContact OG1-CG 3.38Å; T824-E827 PolarHBondContact OG1-N 2.92Å; T824-E827 VanDerWaalsContact OG1-N 3.17Å; T824-E827 PolarHBondContact OG1-OE1 3.24Å; T824-M828 PolarHBondContact O-N 3.36Å
825P78.3Confident72.2Confident61 Ų61104.2 Ų104.240%0.39655%0.551SS.*Hα-helixtrans-53.3-34.9173.6-26.836.4000112.4M828 D829 R854P825-M828 PolarHBondContact O-N 2.87Å; P825-D829 WeakPolarHBondContact O-CB 3.49Å; P825-D829 PolarHBondContact O-N 3.45Å; P825-R854 VanDerWaalsContact CB-NH1 3.33Å
826E80.4Confident73.6Confident64 Ų64104.4 Ų104.430%0.29955%0.547SS..Hα-helixtrans-75-21.9178.3-66.663-139.300113.3T824 R830 R854T824-E826 PolarHBondContact O-N 2.85Å; T824-E826 VanDerWaalsContact O-N 3.15Å; E826-R830 VanDerWaalsContact C-NH1 3.33Å; E826-R830 WeakPolarHBondContact O-CG 3.36Å; E826-R830 PolarHBondContact O-NH1 2.73Å; E826-R854 IonicContact OE1-CZ 3.23Å; E826-R854 IonicContact OE1-NH1 3.74Å; E826-R854 PolarHBondContact OE1-NH1 3.42Å
827E82.2Confident75.1Confident88 Ų88103.3 Ų103.341%0.41153%0.529SS..Hα-helixtrans-77.5-40.8166.9-76.7144-134.100111.4F823 T824 D829 R830 A831F823-E827 VanDerWaalsContact CA-OE2 3.29Å; F823-E827 WeakPolarHBondContact CA-OE2 3.2Å; F823-E827 HydrophobicContact CB-CB 4.3Å; T824-E827 WeakPolarHBondContact CB-OE1 3.3Å; T824-E827 VanDerWaalsContact CG2-OE1 3.25Å; T824-E827 WeakPolarHBondContact CG2-OE1 3.21Å; T824-E827 PolarHBondContact N-OE2 3.43Å; T824-E827 WeakPolarHBondContact O-CB 3.46Å; T824-E827 PolarHBondContact O-N 3.41Å; T824-E827 VanDerWaalsContact OG1-CG 3.32Å; T824-E827 WeakPolarHBondContact OG1-CG 3.38Å; T824-E827 PolarHBondContact OG1-N 2.92Å; T824-E827 VanDerWaalsContact OG1-N 3.17Å; T824-E827 PolarHBondContact OG1-OE1 3.24Å; E827-D829 VanDerWaalsContact C-N 3.25Å; E827-D829 PolarHBondContact O-N 2.84Å; E827-R830 CarbonylContact O-C 3.43Å; E827-R830 PolarHBondContact O-N 2.85Å; E827-A831 PolarHBondContact O-N 3.38Å
828M78.1Confident76.9Confident92 Ų92101.9 Ų101.945%0.45351%0.506SS..Hα-helixtrans-59.7-39.7174.1-65.4-179.463.300111.3T821 F823 T824 P825 R830 A831T821-M828 HydrophobicContact CG2-SD 4.38Å; F823-M828 HydrophobicContact CB-CG 3.92Å; T824-M828 PolarHBondContact O-N 3.36Å; P825-M828 PolarHBondContact O-N 2.87Å; M828-R830 PolarHBondContact O-N 3.46Å; M828-A831 PolarHBondContact O-N 3.33Å
829D81.3Confident78.7Confident31 Ų31102 Ų10217%0.16650%0.499CS..THydrogen-bonded Turntrans-71.6-0174.7-65.6-25.6000114P825 E827 H848 V851 R854P825-D829 WeakPolarHBondContact O-CB 3.49Å; P825-D829 PolarHBondContact O-N 3.45Å; E827-D829 VanDerWaalsContact C-N 3.25Å; E827-D829 PolarHBondContact O-N 2.84Å; D829-H848 IonicContact OD1-CD2 2.87Å; D829-H848 IonicContact OD1-CE1 3.72Å; D829-H848 PolarHBondContact OD1-CE1 3.11Å; D829-H848 VanDerWaalsContact OD1-CE1 3.3Å; D829-H848 IonicContact OD1-NE2 2.76Å; D829-H848 PolarHBondContact OD1-NE2 2.86Å; D829-V851 HydrophobicContact CB-CG2 4.44Å; D829-V851 VanDerWaalsContact OD2-CG2 3.23Å; D829-V851 WeakPolarHBondContact OD2-CG2 3.32Å; D829-R854 IonicContact OD1-NH2 2.73Å; D829-R854 IonicContact OD2-CZ 2.69Å; D829-R854 VanDerWaalsContact OD2-CZ 3.31Å; D829-R854 IonicContact OD2-NH1 3.31Å; D829-R854 PolarHBondContact OD2-NH1 3.09Å; D829-R854 IonicContact OD2-NH2 3.81Å; D829-R854 PolarHBondContact OD2-NH2 3.33Å
830R80.5Confident80.8Confident189 Ų18999.6 Ų99.671%0.71348%0.481SS*.THydrogen-bonded Turntrans-118.70.3174.1-69.5-179.2-170.5105.6-10.8114.1E826 E827 M828E826-R830 VanDerWaalsContact C-NH1 3.33Å; E826-R830 WeakPolarHBondContact O-CG 3.36Å; E826-R830 PolarHBondContact O-NH1 2.73Å; E827-R830 CarbonylContact O-C 3.43Å; E827-R830 PolarHBondContact O-N 2.85Å; M828-R830 PolarHBondContact O-N 3.46Å
831A82.8Confident82.5Confident24 Ų2497 Ų9720%0.19846%0.459CS..  trans-65.9139.1177.100000110.8E827 M828 E833 L834E827-A831 PolarHBondContact O-N 3.38Å; M828-A831 PolarHBondContact O-N 3.33Å; A831-E833 PolarHBondContact O-N 2.76Å; A831-L834 VanDerWaalsContact O-CB 3.25Å; A831-L834 WeakPolarHBondContact O-CB 3.15Å; A831-L834 PolarHBondContact O-N 3.17Å; A831-L834 VanDerWaalsContact O-N 3.08Å
832P77.9Confident83.6Confident126 Ų12697.8 Ų97.882%0.81846%0.463SS*.THydrogen-bonded Turntrans-66.1-12.4-179.927.9-35.6000113.6
833E83.8Confident84.3Confident108 Ų10891 Ų9151%0.50544%0.443SS..THydrogen-bonded Turntrans-93.25.5178.9-57158.3168.400112.5A831 E835 D836 K837A831-E833 PolarHBondContact O-N 2.76Å; E833-E835 VanDerWaalsContact C-N 3.27Å; E833-E835 PolarHBondContact O-N 2.81Å; E833-D836 PolarHBondContact O-N 3.22Å; E833-D836 VanDerWaalsContact O-N 3.14Å; E833-K837 HydrophobicContact CB-CD 4.09Å; E833-K837 WeakPolarHBondContact O-CG 3.45Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 WeakPolarHBondContact OE2-CE 3.34Å; E833-K837 IonicContact OE2-NZ 2.65Å; E833-K837 PolarHBondContact OE2-NZ 2.94Å
834L86.7Confident85.1Confident21 Ų2190.6 Ų90.611%0.1144%0.441CS..Hα-helixtrans-57.6-38.9-171.8177.163.5000112.3A831 K837 K838A831-L834 VanDerWaalsContact O-CB 3.25Å; A831-L834 WeakPolarHBondContact O-CB 3.15Å; A831-L834 PolarHBondContact O-N 3.17Å; A831-L834 VanDerWaalsContact O-N 3.08Å; L834-K837 PolarHBondContact O-N 3.36Å; L834-K838 HydrophobicContact CG-CD 4.17Å; L834-K838 WeakPolarHBondContact O-CB 3.42Å; L834-K838 VanDerWaalsContact O-CG 3.27Å; L834-K838 WeakPolarHBondContact O-CG 3.31Å; L834-K838 PolarHBondContact O-N 3.21Å
835E87.9Confident85.4Confident99 Ų9994.9 Ų94.946%0.46346%0.455SS..Hα-helixtrans-66.6-37.3178.7-81.246.3-112.500112.4E833 K838 R839E833-E835 VanDerWaalsContact C-N 3.27Å; E833-E835 PolarHBondContact O-N 2.81Å; E835-K838 WeakPolarHBondContact O-CB 3.5Å; E835-K838 PolarHBondContact O-N 3.13Å; E835-K838 IonicContact OE1-NZ 2.7Å; E835-K838 PolarHBondContact OE1-NZ 3.34Å; E835-R839 WeakPolarHBondContact O-CG 3.43Å; E835-R839 PolarHBondContact O-N 2.81Å
836D88.3Confident85.9Confident108 Ų10896.8 Ų96.858%0.57846%0.462SS*.Hα-helixtrans-76-33.8175.5-65.8-37000111.6E833 R839 F840E833-D836 PolarHBondContact O-N 3.22Å; E833-D836 VanDerWaalsContact O-N 3.14Å; D836-R839 PolarHBondContact O-N 3.19Å; D836-R839 IonicContact OD1-NE 3.68Å; D836-F840 WeakPolarHBondContact O-CB 3.33Å; D836-F840 PolarHBondContact O-N 3.43Å
837K88.4Confident86.2Confident96 Ų9698.6 Ų98.642%0.41748%0.481SS..Hα-helixtrans-63.7-38.9169.7-74.9161.8170.5164.30111.8E833 L834 F840 L841E833-K837 HydrophobicContact CB-CD 4.09Å; E833-K837 WeakPolarHBondContact O-CG 3.45Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 WeakPolarHBondContact OE2-CE 3.34Å; E833-K837 IonicContact OE2-NZ 2.65Å; E833-K837 PolarHBondContact OE2-NZ 2.94Å; L834-K837 PolarHBondContact O-N 3.36Å; K837-F840 PolarHBondContact O-N 2.91Å; K837-L841 WeakPolarHBondContact O-CB 3.43Å; K837-L841 VanDerWaalsContact O-CG 3.32Å; K837-L841 WeakPolarHBondContact O-CG 3.4Å; K837-L841 PolarHBondContact O-N 3.13Å
838K89.8Confident86.5Confident64 Ų6496.7 Ų96.728%0.27847%0.472SS..Hα-helixtrans-62.5-44.4170.4-75.3162.5-178.9164.70111.7L834 E835 T842 H848L834-K838 HydrophobicContact CG-CD 4.17Å; L834-K838 WeakPolarHBondContact O-CB 3.42Å; L834-K838 VanDerWaalsContact O-CG 3.27Å; L834-K838 WeakPolarHBondContact O-CG 3.31Å; L834-K838 PolarHBondContact O-N 3.21Å; E835-K838 WeakPolarHBondContact O-CB 3.5Å; E835-K838 PolarHBondContact O-N 3.13Å; E835-K838 IonicContact OE1-NZ 2.7Å; E835-K838 PolarHBondContact OE1-NZ 3.34Å; K838-T842 WeakPolarHBondContact O-CB 3.27Å; K838-T842 PolarHBondContact O-N 2.96Å; K838-T842 PolarHBondContact O-OG1 2.9Å; K838-H848 VanDerWaalsContact CE-ND1 3.33Å; K838-H848 WeakPolarHBondContact CE-ND1 3.49Å; K838-H848 HydrophobicContact CG-CB 3.71Å
839R87.1Confident86.9Confident174 Ų17495.7 Ų95.766%0.65747%0.471SS*.Hα-helixtrans-61.5-45.7175-70.8169.3-171.6-83.61.4111.6E835 D836 T842 M843E835-R839 WeakPolarHBondContact O-CG 3.43Å; E835-R839 PolarHBondContact O-N 2.81Å; D836-R839 PolarHBondContact O-N 3.19Å; D836-R839 IonicContact OD1-NE 3.68Å; R839-T842 WeakPolarHBondContact O-CB 3.48Å; R839-T842 PolarHBondContact O-N 2.81Å; R839-M843 PolarHBondContact O-N 3.36Å; R839-M843 VanDerWaalsContact O-N 3.11Å
840F91.7Very high87.1Confident124 Ų12496.9 Ų96.954%0.54448%0.48SS..Hα-helixtrans-60.6-48.6177.6179-95.1000112.2D836 K837 T842 M843 F844D836-F840 WeakPolarHBondContact O-CB 3.33Å; D836-F840 PolarHBondContact O-N 3.43Å; K837-F840 PolarHBondContact O-N 2.91Å; F840-T842 VanDerWaalsContact C-N 3.26Å; F840-T842 PolarHBondContact O-N 3.32Å; F840-M843 WeakPolarHBondContact O-CB 3.5Å; F840-M843 PolarHBondContact O-N 3.23Å; F840-M843 VanDerWaalsContact O-N 3.1Å; F840-F844 HydrophobicContact CD1-CE2 4.37Å; F840-F844 HydrophobicContact CD2-CE2 4.35Å; F840-F844 HydrophobicContact CE1-CD2 4.27Å; F840-F844 AromaticContact CE1-CE2 3.85Å; F840-F844 HydrophobicContact CE1-CE2 3.85Å; F840-F844 AromaticContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CZ-CD2 4.41Å; F840-F844 AromaticContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CZ 4.29Å; F840-F844 WeakPolarHBondContact O-CD2 3.28Å
841L90Very high87.3Confident55 Ų5590.3 Ų90.329%0.28846%0.46SS..Hα-helixtrans-56.7-41.5173.4-73.6169000111.7K837 M843 F844 K845 L846 H848K837-L841 WeakPolarHBondContact O-CB 3.43Å; K837-L841 VanDerWaalsContact O-CG 3.32Å; K837-L841 WeakPolarHBondContact O-CG 3.4Å; K837-L841 PolarHBondContact O-N 3.13Å; L841-M843 VanDerWaalsContact C-N 3.27Å; L841-M843 PolarHBondContact O-N 2.82Å; L841-F844 CarbonylContact O-C 3.59Å; L841-F844 PolarHBondContact O-N 3.42Å; L841-K845 PolarHBondContact O-N 3.28Å; L841-L846 CarbonylContact C-O 3.59Å; L841-L846 HydrophobicContact CB-CB 4.19Å; L841-L846 WeakPolarHBondContact CB-O 3.49Å; L841-L846 HydrophobicContact CD2-CB 4.13Å; L841-L846 HydrophobicContact CD2-CD1 4.13Å; L841-L846 PolarHBondContact O-N 3.15Å; L841-H848 HydrophobicContact CD1-CB 4.43Å
842T90.6Very high87.4Confident93 Ų9394 Ų9457%0.57147%0.473SS*.Hα-helixtrans-60.8-32.9178-54.30000112.5K838 R839 F840 F844 K845 L846K838-T842 WeakPolarHBondContact O-CB 3.27Å; K838-T842 PolarHBondContact O-N 2.96Å; K838-T842 PolarHBondContact O-OG1 2.9Å; R839-T842 WeakPolarHBondContact O-CB 3.48Å; R839-T842 PolarHBondContact O-N 2.81Å; F840-T842 VanDerWaalsContact C-N 3.26Å; F840-T842 PolarHBondContact O-N 3.32Å; T842-F844 PolarHBondContact O-N 3.13Å; T842-K845 WeakPolarHBondContact O-CA 3.28Å; T842-K845 PolarHBondContact O-N 3.31Å; T842-L846 PolarHBondContact N-O 3.29Å
843M90.6Very high87.7Confident102 Ų10292.3 Ų92.350%0.50245%0.454SS..Hα-helixtrans-61.7-31.9174.3-63.9170.260.900112.6C319 R839 F840 L841 K845C319-M843 HydrophobicContact CB-CE 3.89Å; R839-M843 PolarHBondContact O-N 3.36Å; R839-M843 VanDerWaalsContact O-N 3.11Å; F840-M843 WeakPolarHBondContact O-CB 3.5Å; F840-M843 PolarHBondContact O-N 3.23Å; F840-M843 VanDerWaalsContact O-N 3.1Å; L841-M843 VanDerWaalsContact C-N 3.27Å; L841-M843 PolarHBondContact O-N 2.82Å; M843-K845 VanDerWaalsContact C-N 3.3Å
844F90.6Very high87.7Confident125 Ų12590.1 Ų90.155%0.54844%0.442SS..THydrogen-bonded Turntrans-90.110.3174.2-64-82.7000113.2F840 L841 T842 L846F840-F844 HydrophobicContact CD1-CE2 4.37Å; F840-F844 HydrophobicContact CD2-CE2 4.35Å; F840-F844 HydrophobicContact CE1-CD2 4.27Å; F840-F844 AromaticContact CE1-CE2 3.85Å; F840-F844 HydrophobicContact CE1-CE2 3.85Å; F840-F844 AromaticContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CZ-CD2 4.41Å; F840-F844 AromaticContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CZ 4.29Å; F840-F844 WeakPolarHBondContact O-CD2 3.28Å; L841-F844 CarbonylContact O-C 3.59Å; L841-F844 PolarHBondContact O-N 3.42Å; T842-F844 PolarHBondContact O-N 3.13Å; F844-L846 HydrophobicContact CB-CD1 4.28Å; F844-L846 HydrophobicContact CB-CG 4.19Å; F844-L846 PolarHBondContact O-N 3.05Å
845K87.1Confident87.7Confident149 Ų14993.5 Ų93.565%0.64846%0.456SS*.THydrogen-bonded Turntrans58.328.1-173.1-54.5-169.5177.4-171.10113.9F323 L841 T842 M843F323-K845 HydrophobicContact CE2-CD 4.18Å; F323-K845 VanDerWaalsContact CE2-CE 3.48Å; F323-K845 HydrophobicContact CZ-CD 4.41Å; L841-K845 PolarHBondContact O-N 3.28Å; T842-K845 WeakPolarHBondContact O-CA 3.28Å; T842-K845 PolarHBondContact O-N 3.31Å; M843-K845 VanDerWaalsContact C-N 3.3Å
846L87.6Confident87.6Confident101 Ų10191.3 Ų91.353%0.52945%0.447SS..PPolyproline II helixtrans-99.1138.9173.5-58178.4000110L841 T842 F844L841-L846 CarbonylContact C-O 3.59Å; L841-L846 HydrophobicContact CB-CB 4.19Å; L841-L846 WeakPolarHBondContact CB-O 3.49Å; L841-L846 HydrophobicContact CD2-CB 4.13Å; L841-L846 HydrophobicContact CD2-CD1 4.13Å; L841-L846 PolarHBondContact O-N 3.15Å; T842-L846 PolarHBondContact N-O 3.29Å; F844-L846 HydrophobicContact CB-CD1 4.28Å; F844-L846 HydrophobicContact CB-CG 4.19Å; F844-L846 PolarHBondContact O-N 3.05Å
847S87.3Confident87.5Confident101 Ų10190.9 Ų90.971%0.70645%0.445SS*.PPolyproline II helixtrans-95.1148.9172.150.10000111.5
848H87.5Confident87.5Confident49 Ų4991.8 Ų91.823%0.22745%0.45CS..PPolyproline II helixtrans-73.9127.8167.4171.8-111.4000109.5D829 K838 L841D829-H848 IonicContact OD1-CD2 2.87Å; D829-H848 IonicContact OD1-CE1 3.72Å; D829-H848 PolarHBondContact OD1-CE1 3.11Å; D829-H848 VanDerWaalsContact OD1-CE1 3.3Å; D829-H848 IonicContact OD1-NE2 2.76Å; D829-H848 PolarHBondContact OD1-NE2 2.86Å; K838-H848 VanDerWaalsContact CE-ND1 3.33Å; K838-H848 WeakPolarHBondContact CE-ND1 3.49Å; K838-H848 HydrophobicContact CG-CB 3.71Å; L841-H848 HydrophobicContact CD1-CB 4.43Å
849V87.8Confident87.4Confident71 Ų7194.2 Ų94.243%0.4346%0.458SS..  trans-88.7112.3178.2179.80000109.2E853 R854V849-E853 HydrophobicContact CG1-CB 3.96Å; V849-R854 PolarHBondContact O-NH2 3.33Å
850T85.6Confident87.3Confident56 Ų5688 Ų8834%0.34444%0.439SS..  trans-68158.6-177.964.80000112.5Q852 E853 R854T850-Q852 PolarHBondContact O-N 2.81Å; T850-Q852 VanDerWaalsContact O-N 3.15Å; T850-E853 VanDerWaalsContact CB-OE2 3.3Å; T850-E853 WeakPolarHBondContact CB-OE2 3.41Å; T850-E853 WeakPolarHBondContact CG2-OE2 3.29Å; T850-E853 PolarHBondContact N-OE2 3.03Å; T850-E853 PolarHBondContact O-N 2.78Å; T850-E853 VanDerWaalsContact O-N 3.13Å; T850-E853 VanDerWaalsContact OG1-CD 3.29Å; T850-E853 WeakPolarHBondContact OG1-CG 3.38Å; T850-E853 PolarHBondContact OG1-N 2.9Å; T850-E853 PolarHBondContact OG1-OE2 3.45Å; T850-R854 WeakPolarHBondContact O-CB 3.37Å; T850-R854 PolarHBondContact O-N 3.29Å
851V85.1Confident87.1Confident50 Ų5086.4 Ų86.430%0.30344%0.439SS..Hα-helixtrans-54.6-32.2173.9-177.30000112.3D829 K855D829-V851 HydrophobicContact CB-CG2 4.44Å; D829-V851 VanDerWaalsContact OD2-CG2 3.23Å; D829-V851 WeakPolarHBondContact OD2-CG2 3.32Å; V851-K855 HydrophobicContact CG1-CD 4.44Å; V851-K855 WeakPolarHBondContact O-CG 3.41Å; V851-K855 PolarHBondContact O-N 3.3Å
852Q83.9Confident87Confident102 Ų10289.7 Ų89.748%0.47745%0.453SS..Hα-helixtrans-71.4-49.2176.717959.53500111.2T850 R854 K855 D856T850-Q852 PolarHBondContact O-N 2.81Å; T850-Q852 VanDerWaalsContact O-N 3.15Å; Q852-R854 VanDerWaalsContact C-N 3.27Å; Q852-R854 PolarHBondContact O-N 3.39Å; Q852-K855 PolarHBondContact O-N 3.33Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; Q852-D856 PolarHBondContact NE2-OD1 2.94Å; Q852-D856 PolarHBondContact NE2-OD2 3.31Å; Q852-D856 PolarHBondContact O-N 3.29Å
853E84.4Confident86.7Confident90 Ų9087.4 Ų87.442%0.42144%0.437SS..Hα-helixtrans-63.1-34.8177.2-68.9158.7137.300111.7V849 T850 D856 N857V849-E853 HydrophobicContact CG1-CB 3.96Å; T850-E853 VanDerWaalsContact CB-OE2 3.3Å; T850-E853 WeakPolarHBondContact CB-OE2 3.41Å; T850-E853 WeakPolarHBondContact CG2-OE2 3.29Å; T850-E853 PolarHBondContact N-OE2 3.03Å; T850-E853 PolarHBondContact O-N 2.78Å; T850-E853 VanDerWaalsContact O-N 3.13Å; T850-E853 VanDerWaalsContact OG1-CD 3.29Å; T850-E853 WeakPolarHBondContact OG1-CG 3.38Å; T850-E853 PolarHBondContact OG1-N 2.9Å; T850-E853 PolarHBondContact OG1-OE2 3.45Å; E853-D856 PolarHBondContact O-N 3.39Å; E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 2.98Å; E853-N857 PolarHBondContact O-ND2 2.85Å
854R84.2Confident86.4Confident63 Ų6387.6 Ų87.624%0.23844%0.44CS..Hα-helixtrans-56.6-49.5172.4-166.7177.4-57137.412111P825 E826 D829 V849 T850 Q852 N857 E858P825-R854 VanDerWaalsContact CB-NH1 3.33Å; E826-R854 IonicContact OE1-CZ 3.23Å; E826-R854 IonicContact OE1-NH1 3.74Å; E826-R854 PolarHBondContact OE1-NH1 3.42Å; D829-R854 IonicContact OD1-NH2 2.73Å; D829-R854 IonicContact OD2-CZ 2.69Å; D829-R854 VanDerWaalsContact OD2-CZ 3.31Å; D829-R854 IonicContact OD2-NH1 3.31Å; D829-R854 PolarHBondContact OD2-NH1 3.09Å; D829-R854 IonicContact OD2-NH2 3.81Å; D829-R854 PolarHBondContact OD2-NH2 3.33Å; V849-R854 PolarHBondContact O-NH2 3.33Å; T850-R854 WeakPolarHBondContact O-CB 3.37Å; T850-R854 PolarHBondContact O-N 3.29Å; Q852-R854 VanDerWaalsContact C-N 3.27Å; Q852-R854 PolarHBondContact O-N 3.39Å; R854-N857 PolarHBondContact O-N 3.31Å; R854-E858 WeakPolarHBondContact O-CB 3.33Å; R854-E858 PolarHBondContact O-N 2.87Å
855K86Confident86.2Confident92 Ų9286.4 Ų86.440%0.444%0.436SS..Hα-helixtrans-69.8-32.2177.4-70.6174.6-179.8-177.20113.6V851 Q852 R859V851-K855 HydrophobicContact CG1-CD 4.44Å; V851-K855 WeakPolarHBondContact O-CG 3.41Å; V851-K855 PolarHBondContact O-N 3.3Å; Q852-K855 PolarHBondContact O-N 3.33Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; K855-R859 WeakPolarHBondContact O-CB 3.47Å; K855-R859 WeakPolarHBondContact O-CD 3.32Å; K855-R859 WeakPolarHBondContact O-CG 3.31Å; K855-R859 PolarHBondContact O-N 3.13Å
856D85.4Confident86Confident53 Ų5380.3 Ų80.328%0.28341%0.413SS..Hα-helixtrans-72.7-36.6175.6-69.5-29.1000111.5Q852 E853 R859 V860Q852-D856 PolarHBondContact NE2-OD1 2.94Å; Q852-D856 PolarHBondContact NE2-OD2 3.31Å; Q852-D856 PolarHBondContact O-N 3.29Å; E853-D856 PolarHBondContact O-N 3.39Å; D856-R859 IonicContact OD1-CZ 3.61Å; D856-R859 IonicContact OD1-NH1 3.83Å; D856-R859 PolarHBondContact OD1-NH1 3.18Å; D856-V860 VanDerWaalsContact O-CG2 3.3Å; D856-V860 WeakPolarHBondContact O-CG2 3.35Å; D856-V860 PolarHBondContact O-N 3.37Å
857N86.7Confident85.8Confident99 Ų9979 Ų7953%0.52941%0.406SS..Hα-helixtrans-66.4-41.5169.7-78.7-78.2000111.9E853 R854 V860 V861E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 2.98Å; E853-N857 PolarHBondContact O-ND2 2.85Å; R854-N857 PolarHBondContact O-N 3.31Å; N857-V860 PolarHBondContact O-N 3.22Å; N857-V860 VanDerWaalsContact O-N 3.16Å; N857-V861 WeakPolarHBondContact O-CG2 3.27Å; N857-V861 PolarHBondContact O-N 2.75Å
858E88.6Confident85.6Confident115 Ų11582.3 Ų82.354%0.53741%0.408SS..Hα-helixtrans-56.9-51175-173.2170.1-136.900111.2R854 V860 V861 E862R854-E858 WeakPolarHBondContact O-CB 3.33Å; R854-E858 PolarHBondContact O-N 2.87Å; E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 3.46Å; E858-V861 PolarHBondContact O-N 3.38Å; E858-E862 WeakPolarHBondContact O-CG 3.19Å; E858-E862 PolarHBondContact O-N 3.08Å
859R87.5Confident85.6Confident114 Ų11485.7 Ų85.743%0.4342%0.423SS..Hα-helixtrans-57.6-36.9173.1-70.7162.1-174.1135.56113.5K855 D856 L863K855-R859 WeakPolarHBondContact O-CB 3.47Å; K855-R859 WeakPolarHBondContact O-CD 3.32Å; K855-R859 WeakPolarHBondContact O-CG 3.31Å; K855-R859 PolarHBondContact O-N 3.13Å; D856-R859 IonicContact OD1-CZ 3.61Å; D856-R859 IonicContact OD1-NH1 3.83Å; D856-R859 PolarHBondContact OD1-NH1 3.18Å; R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 PolarHBondContact O-N 3.16Å
860V86Confident85.2Confident44 Ų4491.1 Ų91.127%0.26744%0.441SS..Hα-helixtrans-70.1-37.2176.3166.40000111.1D856 N857 E858 L863 L864 L884D856-V860 VanDerWaalsContact O-CG2 3.3Å; D856-V860 WeakPolarHBondContact O-CG2 3.35Å; D856-V860 PolarHBondContact O-N 3.37Å; N857-V860 PolarHBondContact O-N 3.22Å; N857-V860 VanDerWaalsContact O-N 3.16Å; E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 3.46Å; V860-L863 PolarHBondContact O-N 3.46Å; V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.46Å; V860-L864 WeakPolarHBondContact O-CB 3.33Å; V860-L864 WeakPolarHBondContact O-CG 3.21Å; V860-L864 PolarHBondContact O-N 2.84Å; V860-L884 HydrophobicContact CG2-CB 4.5Å; V860-L884 HydrophobicContact CG2-CD2 4.41Å
861V87.6Confident84.7Confident91 Ų9192.4 Ų92.455%0.55245%0.453SS*.Hα-helixtrans-67.7-44.3173.6172.10000111.2N857 E858 L863 L864 Q865N857-V861 WeakPolarHBondContact O-CG2 3.27Å; N857-V861 PolarHBondContact O-N 2.75Å; E858-V861 PolarHBondContact O-N 3.38Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 2.62Å; V861-L864 PolarHBondContact O-N 3.35Å; V861-Q865 WeakPolarHBondContact O-CB 3.35Å; V861-Q865 PolarHBondContact O-N 2.87Å
862E87.3Confident84.3Confident123 Ų12391.9 Ų91.958%0.57545%0.449SS*.Hα-helixtrans-56.9-46.8172.2-70.7179.4145.300111.4E858 Q865 A866E858-E862 WeakPolarHBondContact O-CG 3.19Å; E858-E862 PolarHBondContact O-N 3.08Å; E862-Q865 PolarHBondContact O-N 3.3Å; E862-A866 WeakPolarHBondContact O-CB 3.25Å; E862-A866 PolarHBondContact O-N 3.23Å
863L83.9Confident83.7Confident45 Ų4590.9 Ų90.924%0.23645%0.45CS..Hα-helixtrans-63.5-42.7177.8178.860.3000112.2R859 V860 V861 Q865 A866 I867 V872 I877 L884R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 PolarHBondContact O-N 3.16Å; V860-L863 PolarHBondContact O-N 3.46Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 2.62Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.83Å; L863-A866 PolarHBondContact O-N 3.2Å; L863-I867 HydrophobicContact CD1-CD1 4.12Å; L863-I867 HydrophobicContact CD1-CG1 4.37Å; L863-I867 HydrophobicContact CG-CD1 3.98Å; L863-I867 WeakPolarHBondContact O-CB 3.21Å; L863-I867 WeakPolarHBondContact O-CD1 3.46Å; L863-I867 WeakPolarHBondContact O-CG1 3.48Å; L863-I867 PolarHBondContact O-N 2.86Å; L863-V872 HydrophobicContact CD1-CG1 3.94Å; L863-V872 HydrophobicContact CD1-CG2 4.25Å; L863-I877 HydrophobicContact CD1-CG1 4.45Å; L863-L884 HydrophobicContact CD2-CD1 3.8Å
864L84.4Confident82.8Confident106 Ų10693.1 Ų93.156%0.55546%0.464SS*.Hα-helixtrans-64.3-37.2175.5-75167.8000111.8V860 V861 K868V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.46Å; V860-L864 WeakPolarHBondContact O-CB 3.33Å; V860-L864 WeakPolarHBondContact O-CG 3.21Å; V860-L864 PolarHBondContact O-N 2.84Å; V861-L864 PolarHBondContact O-N 3.35Å; L864-K868 WeakPolarHBondContact O-CB 3.28Å; L864-K868 PolarHBondContact O-N 3.5Å
865Q85.7Confident81.9Confident101 Ų10194.1 Ų94.147%0.47247%0.474SS..Hα-helixtrans-69-42.1173.8-179.2158.5-19.200111.7V861 E862 L863 I867 K868 E869V861-Q865 WeakPolarHBondContact O-CB 3.35Å; V861-Q865 PolarHBondContact O-N 2.87Å; E862-Q865 PolarHBondContact O-N 3.3Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.83Å; Q865-I867 VanDerWaalsContact C-N 3.33Å; Q865-I867 PolarHBondContact O-N 2.84Å; Q865-K868 CarbonylContact O-C 3.55Å; Q865-K868 WeakPolarHBondContact O-CB 3.34Å; Q865-K868 PolarHBondContact O-N 3.27Å; Q865-K868 VanDerWaalsContact O-N 3.15Å; Q865-E869 HydrophobicContact CG-CG 4.41Å; Q865-E869 WeakPolarHBondContact CG-OE1 3.46Å; Q865-E869 PolarHBondContact NE2-OE1 2.82Å; Q865-E869 WeakPolarHBondContact O-CB 3.38Å; Q865-E869 WeakPolarHBondContact O-CG 3.44Å; Q865-E869 PolarHBondContact O-N 3.23Å
866A84.2Confident81Confident20 Ų2093.8 Ų93.817%0.16548%0.48CS..Hα-helixtrans-64.5-35175.700000112.7E862 L863 E869 K870 S871 V872E862-A866 WeakPolarHBondContact O-CB 3.25Å; E862-A866 PolarHBondContact O-N 3.23Å; L863-A866 PolarHBondContact O-N 3.2Å; A866-E869 CarbonylContact O-C 3.55Å; A866-E869 PolarHBondContact O-N 2.85Å; A866-K870 PolarHBondContact O-N 3.5Å; A866-S871 WeakPolarHBondContact CA-OG 3.45Å; A866-S871 WeakPolarHBondContact CB-OG 3.41Å; A866-S871 PolarHBondContact O-N 2.92Å; A866-S871 PolarHBondContact O-OG 3.44Å; A866-S871 VanDerWaalsContact O-OG 3.11Å; A866-V872 HydrophobicContact CB-CB 4.34Å; A866-V872 HydrophobicContact CB-CG2 3.59Å
867I83.1Confident80Confident75 Ų7594.8 Ų94.839%0.38549%0.485SS..Hα-helixtrans-65.8-44.2170.8-71.3164.2000110.8L863 Q865 E869 K870 V872 I877L863-I867 HydrophobicContact CD1-CD1 4.12Å; L863-I867 HydrophobicContact CD1-CG1 4.37Å; L863-I867 HydrophobicContact CG-CD1 3.98Å; L863-I867 WeakPolarHBondContact O-CB 3.21Å; L863-I867 WeakPolarHBondContact O-CD1 3.46Å; L863-I867 WeakPolarHBondContact O-CG1 3.48Å; L863-I867 PolarHBondContact O-N 2.86Å; Q865-I867 VanDerWaalsContact C-N 3.33Å; Q865-I867 PolarHBondContact O-N 2.84Å; I867-E869 VanDerWaalsContact C-N 3.31Å; I867-E869 PolarHBondContact O-N 3.28Å; I867-K870 PolarHBondContact O-N 2.72Å; I867-K870 VanDerWaalsContact O-N 3.07Å; I867-V872 HydrophobicContact CG1-CB 4.4Å; I867-V872 HydrophobicContact CG1-CG1 4.28Å; I867-I877 HydrophobicContact CD1-CD1 3.85Å; I867-I877 HydrophobicContact CG1-CD1 4.23Å
868K82.8Confident79Confident170 Ų17098.8 Ų98.874%0.73949%0.493SS*.Hα-helixtrans-62-37.6175.7177.6-170.1173.7-166.30112.3L864 Q865 K870L864-K868 WeakPolarHBondContact O-CB 3.28Å; L864-K868 PolarHBondContact O-N 3.5Å; Q865-K868 CarbonylContact O-C 3.55Å; Q865-K868 WeakPolarHBondContact O-CB 3.34Å; Q865-K868 PolarHBondContact O-N 3.27Å; Q865-K868 VanDerWaalsContact O-N 3.15Å; K868-K870 VanDerWaalsContact C-N 3.27Å
869E87.7Confident77.5Confident119 Ų119100 Ų10056%0.55650%0.498SS*.THydrogen-bonded Turntrans-81.7-4.3175.5-69.6172.1-166.200113.1Q865 A866 I867 S871Q865-E869 HydrophobicContact CG-CG 4.41Å; Q865-E869 WeakPolarHBondContact CG-OE1 3.46Å; Q865-E869 PolarHBondContact NE2-OE1 2.82Å; Q865-E869 WeakPolarHBondContact O-CB 3.38Å; Q865-E869 WeakPolarHBondContact O-CG 3.44Å; Q865-E869 PolarHBondContact O-N 3.23Å; A866-E869 CarbonylContact O-C 3.55Å; A866-E869 PolarHBondContact O-N 2.85Å; I867-E869 VanDerWaalsContact C-N 3.31Å; I867-E869 PolarHBondContact O-N 3.28Å; E869-S871 PolarHBondContact O-N 3.38Å
870K79.2Confident76.2Confident186 Ų18696.8 Ų96.881%0.80950%0.496SS*.THydrogen-bonded Turntrans60.922.9-179.7-50.4177-176.2175.90114.3A866 I867 K868A866-K870 PolarHBondContact O-N 3.5Å; I867-K870 PolarHBondContact O-N 2.72Å; I867-K870 VanDerWaalsContact O-N 3.07Å; K868-K870 VanDerWaalsContact C-N 3.27Å
871S75.6Confident74.7Confident83 Ų83100.5 Ų100.558%0.5852%0.521SS*.  trans-85.3-9.517954.20000113.7A866 E869A866-S871 WeakPolarHBondContact CA-OG 3.45Å; A866-S871 WeakPolarHBondContact CB-OG 3.41Å; A866-S871 PolarHBondContact O-N 2.92Å; A866-S871 PolarHBondContact O-OG 3.44Å; A866-S871 VanDerWaalsContact O-OG 3.11Å; E869-S871 PolarHBondContact O-N 3.38Å
872V75.9Confident73.1Confident38 Ų38103 Ų10323%0.2353%0.526CS..SBendtrans-112.2137.4177163.40000111.3L863 A866 I867 I877L863-V872 HydrophobicContact CD1-CG1 3.94Å; L863-V872 HydrophobicContact CD1-CG2 4.25Å; A866-V872 HydrophobicContact CB-CB 4.34Å; A866-V872 HydrophobicContact CB-CG2 3.59Å; I867-V872 HydrophobicContact CG1-CB 4.4Å; I867-V872 HydrophobicContact CG1-CG1 4.28Å; V872-I877 HydrophobicContact CG1-CD1 4Å; V872-I877 HydrophobicContact CG1-CG1 3.69Å
873T72.2Confident71.3Confident81 Ų81102.8 Ų102.850%0.49754%0.535SS..  trans-101.4163.717772.20000112.3D875 T876 I877T873-D875 PolarHBondContact O-N 2.9Å; T873-T876 WeakPolarHBondContact O-CB 3.34Å; T873-T876 PolarHBondContact O-N 3.44Å; T873-T876 PolarHBondContact OG1-OG1 2.89Å; T873-I877 PolarHBondContact O-N 3.35Å
874L65.5Low70Confident137 Ų137104.5 Ų104.572%0.71754%0.544SS*.Hα-helixtrans-58.4-33.5178.8-84.4162.1000113.4I877 R878L874-I877 PolarHBondContact O-N 2.83Å; L874-R878 WeakPolarHBondContact O-CB 3.5Å; L874-R878 PolarHBondContact O-N 3.44Å
875D64.3Low67.9Low84 Ų84105 Ų10545%0.44956%0.555SS.*Hα-helixtrans-75.6-32.6179.4-60.8-55.3000112.1T873 I877 R878 H879T873-D875 PolarHBondContact O-N 2.9Å; D875-I877 VanDerWaalsContact C-N 3.27Å; D875-I877 PolarHBondContact O-N 3.19Å; D875-R878 PolarHBondContact O-N 3.33Å; D875-R878 IonicContact OD1-NH1 2.79Å; D875-H879 PolarHBondContact O-CD2 2.79Å; D875-H879 PolarHBondContact O-N 2.8Å
876T67.3Low65.9Low85 Ų85109.6 Ų109.652%0.52157%0.574SS.*Hα-helixtrans-60.3-39171.6-46.30000111.5T873T873-T876 WeakPolarHBondContact O-CB 3.34Å; T873-T876 PolarHBondContact O-N 3.44Å; T873-T876 PolarHBondContact OG1-OG1 2.89Å
877I65.7Low63.6Low74 Ų74113.5 Ų113.538%0.37960%0.6SS.*Hα-helixtrans-69.8-39.9175.7-58.7170.8000110.7L863 I867 V872 T873 L874 D875 H879 A880L863-I877 HydrophobicContact CD1-CG1 4.45Å; I867-I877 HydrophobicContact CD1-CD1 3.85Å; I867-I877 HydrophobicContact CG1-CD1 4.23Å; V872-I877 HydrophobicContact CG1-CD1 4Å; V872-I877 HydrophobicContact CG1-CG1 3.69Å; T873-I877 PolarHBondContact O-N 3.35Å; L874-I877 PolarHBondContact O-N 2.83Å; D875-I877 VanDerWaalsContact C-N 3.27Å; D875-I877 PolarHBondContact O-N 3.19Å; I877-H879 VanDerWaalsContact C-N 3.27Å; I877-H879 PolarHBondContact O-N 2.88Å; I877-A880 PolarHBondContact O-N 2.83Å
878R64.6Low61.2Low183 Ų183115.5 Ų115.569%0.69162%0.618SS**Hα-helixtrans-66.6-24.1179.3-172.6177.6-71.8171.1-4.3113.8L874 D875L874-R878 WeakPolarHBondContact O-CB 3.5Å; L874-R878 PolarHBondContact O-N 3.44Å; D875-R878 PolarHBondContact O-N 3.33Å; D875-R878 IonicContact OD1-NH1 2.79Å
879H57Low59Low142 Ų142112.8 Ų112.866%0.65762%0.617SS**THydrogen-bonded Turntrans-106.814.3-178.1-63.3-53.1000114.4D875 I877D875-H879 PolarHBondContact O-CD2 2.79Å; D875-H879 PolarHBondContact O-N 2.8Å; I877-H879 VanDerWaalsContact C-N 3.27Å; I877-H879 PolarHBondContact O-N 2.88Å
880A61Low56.2Low46 Ų46111.3 Ų111.338%0.3863%0.626SS.*  trans-63.2126.7173.100000111.1I877 H882I877-A880 PolarHBondContact O-N 2.83Å; A880-H882 VanDerWaalsContact C-N 3.26Å; A880-H882 PolarHBondContact O-N 3.45Å
881P53.1Low53.9Low121 Ų121110.7 Ų110.779%0.78663%0.626SS**SBendtrans-76.3-4.3-168.729.6-36.7000115.2
882H53.7Low51.7Low145 Ų145113 Ų11367%0.67164%0.635SS**SBendtrans-134.3139.8-179.2-66.2-17.1000110.9A880 L884A880-H882 VanDerWaalsContact C-N 3.26Å; A880-H882 PolarHBondContact O-N 3.45Å; H882-L884 PolarHBondContact O-N 2.94Å; H882-L884 VanDerWaalsContact O-N 3.16Å
883P50.8Low49.4Very low118 Ų118116.2 Ų116.277%0.76666%0.66SS**  trans-71.7108.617828.8-33.6000110.8C885P883-C885 PolarHBondContact O-N 3.1Å
884L55.9Low47.2Very low80 Ų80119.3 Ų119.342%0.41967%0.673SS.*SBendtrans-71.512.5-173.6-68.2170000115.4V860 L863 H882V860-L884 HydrophobicContact CG2-CB 4.5Å; V860-L884 HydrophobicContact CG2-CD2 4.41Å; L863-L884 HydrophobicContact CD2-CD1 3.8Å; H882-L884 PolarHBondContact O-N 2.94Å; H882-L884 VanDerWaalsContact O-N 3.16Å
885C40.8Very low45.8Very low117 Ų117118.7 Ų118.779%0.79168%0.678SS**  trans-139.9109.5173.9-69.80000111P883P883-C885 PolarHBondContact O-N 3.1Å
886K43.7Very low44Very low197 Ų197118.6 Ų118.686%0.85769%0.688SS**  trans-90.7101.7159.6-71.2178.9-178.3171.50108.4
887S35.1Very low42.1Very low102 Ų102124.1 Ų124.171%0.71371%0.706SS**PPolyproline II helixtrans-64.3136.816452.90000109.2
888P33.5Very low40.4Very low118 Ų118126.5 Ų126.577%0.76672%0.724SS**PPolyproline II helixtrans-56.2137.3177.9-25.534.5000111.9A890P888-A890 PolarHBondContact O-N 2.95Å
889P36.3Very low38.6Very low112 Ų112125.6 Ų125.673%0.72773%0.727SS**PPolyproline II helixtrans-66.8125.9175.928-33.3000109.8H891P889-H891 PolarHBondContact O-N 3.22Å
890A29.1Very low37.1Very low89 Ų89128.3 Ų128.374%0.73674%0.74SS**PPolyproline II helixtrans-68.8117171.800000109.3P888 V892P888-A890 PolarHBondContact O-N 2.95Å; A890-V892 VanDerWaalsContact C-N 3.3Å; A890-V892 PolarHBondContact O-N 3.08Å
891H30.1Very low35.2Very low173 Ų173130.4 Ų130.480%0.80175%0.752SS**  trans-70.186.4171.9-92.8-82.5000110.4P889P889-H891 PolarHBondContact O-N 3.22Å
892V29.9Very low33.9Very low130 Ų130129.2 Ų129.279%0.78875%0.746SS**  trans-89.9103.1163.3-176.70000107.4A890A890-V892 VanDerWaalsContact C-N 3.3Å; A890-V892 PolarHBondContact O-N 3.08Å
893S28.2Very low32.4Very low107 Ų107130.8 Ų130.875%0.74875%0.754SS**  trans-107.787.4178.7-64.80000110
894D25Very low31.3Very low145 Ų145129.5 Ų129.578%0.77575%0.747SS**  trans-145.4103.4173.2-160.95.2000110.2
895P37Very low29.9Very low125 Ų125133.1 Ų133.181%0.81276%0.762SS**  trans-11899-171.436.8-24.3000113.7
896A27.1Very low29.2Very low81 Ų81134.5 Ų134.567%0.66976%0.762SS**  trans-151106.5171.700000114
897F27.4Very low28.5Very low202 Ų202132.3 Ų132.389%0.88675%0.754SS**  trans61.9145.6169.3-67-96.2000116.5
898T28.6Very low28.2Very low123 Ų123135.7 Ų135.776%0.75576%0.758SS**  cis-138.9156.416.2-15.20000110.8
899Q26.9Very low27.8Very low164 Ų164137.4 Ų137.477%0.76676%0.761SS**  trans-79.6149.5163.4-62169.2-93.500110.5
900H25Very low27.4Very low199 Ų199138 Ų13892%0.92176%0.763SS**  trans-148.5148.5135.9-97.4-75.9000108.5
901S22.3Very low27.3Very low91 Ų91144.2 Ų144.264%0.63677%0.767SS**  trans-126.2155.4-166.2-550000113
902S25Very low27.3Very low95 Ų95143.5 Ų143.566%0.66476%0.764SS**  trans75.1149.5147.2-60.40000120.9
903E23.6Very low27.1Very low179 Ų179144.8 Ų144.884%0.83676%0.761SS**  trans61.9146.9153.6-68.9149.4136.700117.4
904S27.9Very low27Very low90 Ų90144.2 Ų144.263%0.62976%0.757SS**  cis-179.9178.4-2364.70000102.9
905E26Very low28.3Very low156 Ų156142.9 Ų142.973%0.72976%0.757SS**  cis-164.4149.43.7-137.9154.7125.400105.6
906D25.1Very low28.7Very low146 Ų146142.5 Ų142.578%0.78175%0.754SS**  trans-159.892.3156.6-121.8-23.9000115.5
907H28.6Very low28.8Very low151 Ų151142.7 Ų142.770%0.69975%0.75SS**  trans53.6175.3140.9-63.496.2000122
908H29.3Very low28.7Very low173 Ų173141.3 Ų141.380%0.80175%0.746SS**  trans-137.8148.1-151.1-51.9-27.8000115.6
909N26Very low28.7Very low154 Ų154141.7 Ų141.782%0.82475%0.752SS**  trans-168.5161.2149.4-114.4-91.5000108.2
910V27.4Very low29.3Very low126 Ų126139.9 Ų139.976%0.76476%0.755SS**  cis-146171.8266.80000110.2
911R26.5Very low29.3Very low219 Ų219135.1 Ų135.183%0.82675%0.75SS**  trans-78.6154.9173.5-137.2178.4172.7142.7-3.8110
912Q30.7Very low29.8Very low157 Ų157136.1 Ų136.173%0.73476%0.757SS**  cis-149.2-169.230.6-46.3-169.364.800109.9
913H26.2Very low30.8Very low158 Ų158137.2 Ų137.273%0.73176%0.762SS**  cis-155.9-161.24.7-159-114.9000110.7
914S24.8Very low31Very low95 Ų95136.9 Ų136.966%0.66477%0.766SS**  trans-156.8-172.6175.7-550000110.1
915P53.7Low30.9Very low117 Ų117136.4 Ų136.476%0.7678%0.775SS**  cis-122.7-153.9-10.545.4-28.6000110.3
916P44.4Very low30.9Very low116 Ų116138 Ų13875%0.75378%0.782SS**  cis-129.5-155.8-7.745.4-26.2000111.8
917S28.4Very low32Very low85 Ų85135.6 Ų135.659%0.59477%0.774SS**  cis-158.4175.7-2.7-146.20000113.3
918H26.4Very low31.8Very low174 Ų174137.9 Ų137.981%0.80678%0.782SS**  trans46.4115.7155.1-58.7-48.3000122.9
919C27.5Very low32.5Very low130 Ų130134.6 Ų134.688%0.87878%0.777SS**  trans-111.7154.2154.6-59.70000111.7
920P41.2Very low32.7Very low126 Ų126134 Ų13482%0.81878%0.778SS**  trans-138.2166.513826.9-7.9000112.3
921A24.1Very low32.8Very low99 Ų99130.9 Ų130.982%0.81877%0.772SS**  cis-167-175.9-20.100000109.3
922S32.6Very low32.9Very low113 Ų113127.9 Ų127.979%0.7977%0.772SS**  trans-141.3160.2167-154.10000108
923P46Very low33.1Very low118 Ų118125.1 Ų125.177%0.76677%0.766SS**  -160.4174.980.542.5-20.9000119.4
924N29.2Very low33.2Very low172 Ų172124.8 Ų124.892%0.9277%0.769SS**  trans-0.2150.8155.3-76.9-18.7000124.8
925G25.1Very low33.3Very low80 Ų80130.2 Ų130.283%0.82578%0.775SS**  trans-156.6142.9155.700000113.9
926H25.4Very low32.8Very low190 Ų190129.3 Ų129.388%0.8877%0.769SS**  trans-133.1-170.8-175.3-127.50.3000108
927P48.7Very low31.9Very low94 Ų94132 Ų13261%0.6178%0.775SS**  cis-139.3161.3-44.339.4-23.1000115.9
928K24.5Very low31.9Very low200 Ų200136.7 Ų136.787%0.8778%0.781SS**  trans56.9179.1140.8-85.9-177.2179178.90121.5
929P44.6Very low32.9Very low104 Ų104133.4 Ų133.468%0.67578%0.775SS**  cis-142.3-176.1-37.839.9-21.1000117.1
930V28.6Very low32.9Very low140 Ų140132.6 Ų132.685%0.84876%0.762SS**  trans67.6145.2160.4-170.40000118
931G30.7Very low32.5Very low62 Ų62134.2 Ų134.264%0.63976%0.756SS**  cis169.7-170.8-5.600000114.2
932D29.3Very low32.6Very low155 Ų155133.7 Ų133.783%0.82975%0.752SS**  trans68.6150.7168.8-75.834.8000121.2
933T33.2Very low32.7Very low100 Ų100139 Ų13961%0.61375%0.754SS**  cis-162.7135.8-30-69.40000110.3
934L30Very low32.1Very low150 Ų150136.7 Ų136.779%0.78575%0.752SS**  159.3106.8128.4-83.9174.8000116
935R26.4Very low32.1Very low210 Ų210134.1 Ų134.179%0.79274%0.744SS**  trans22.1160.3135.6-66.2-171.8-164-91.70.8123.3
936P41.9Very low31.9Very low97 Ų97133.2 Ų133.263%0.6374%0.736SS**  cis-148138.1-3137.6-17.9000117.5
937I27.2Very low32Very low174 Ų174133.8 Ų133.889%0.89274%0.738SS**SBendtrans-143.6147.5131.9-62-168.6000106.4
938Y27.4Very low31.2Very low183 Ų183132.2 Ų132.272%0.71874%0.74SS**  trans-159.8172.3-160.1-101.3-79.1000110.5
939P47.9Very low32Very low104 Ų104128.4 Ų128.468%0.67574%0.735SS**  cis-137.3173.9-8.642.2-25.7000117
940D26.8Very low31.4Very low113 Ų113129 Ų12960%0.60474%0.737SS**  trans50.2157.2139.6-84.226.7000124
941K32Very low32Very low161 Ų161127.3 Ų127.370%0.773%0.729SS**  cis-170.3149-28.2-123-168.5-154.977.20111.1
942A27.8Very low32Very low87 Ų87132.2 Ų132.272%0.71973%0.732SS**  trans61.9160.6140.300000122.9
943R33.6Very low32.1Very low225 Ų225134.5 Ų134.585%0.84973%0.729SS**  trans63.1120.5145.7-172.2175.7-165.9175.26.1119.4
944G34.4Very low31.7Very low69 Ų69135.9 Ų135.971%0.71173%0.733SS**  trans-70.3130.415400000110.1
945P28Very low31.6Very low118 Ų118133.7 Ų133.777%0.76673%0.73SS**  -94171.77033.5-38000113.4
946G22.4Very low31.5Very low62 Ų62128.1 Ų128.164%0.63972%0.723SS**  cis124.6144.29.800000109.6
947E26.8Very low31.2Very low201 Ų201131 Ų13194%0.93973%0.733SS**  trans65.9144.6-165.7-45.8-170.3148.700112
948G32Very low31.4Very low62 Ų62129.5 Ų129.564%0.63973%0.726SS**  cis92.7150.518.100000110.6
949P40.2Very low31.3Very low120 Ų120127.6 Ų127.678%0.77973%0.728SS**  cis-98.7160.21.542.8-35.8000110.8
950V32.7Very low30.1Very low116 Ų116126.9 Ų126.970%0.70373%0.726SS**  56.6120.358.6-170.10000108.7
951P41.4Very low30.1Very low104 Ų104128.6 Ų128.668%0.67573%0.734SS**  -150.3156.659.945.4-26.8000118.7
952K31.6Very low29.9Very low166 Ų166131.7 Ų131.772%0.72274%0.741SS**  55.2109.4127.8-65.6173-171.2169.70117.2
953R29.7Very low31.1Very low203 Ų203132.3 Ų132.377%0.76674%0.738SS**  86.1124.473.5-88.4-171.3178179.8-2.8111.6
954N26.5Very low31.4Very low128 Ų128127.6 Ų127.668%0.68474%0.737SS**  trans67.8160.8132.9-55.214.9000118.6
955S26.3Very low31.3Very low105 Ų105132.1 Ų132.173%0.73474%0.743SS**  trans70.1139.915520.50000116.8
956S25.8Very low32Very low92 Ų92131.6 Ų131.664%0.64374%0.74SS**  cis176.7130.5-20.439.40000107.4
957L34.5Very low32.4Very low159 Ų159135.3 Ų135.383%0.83275%0.745SS**  trans62.2164.6154.2-56.3167.6000117.9
958L32.2Very low32.4Very low142 Ų142134.2 Ų134.274%0.74374%0.74SS**  trans75.1127.6158.8-51.1-170.6000119.7
959N24.1Very low32.2Very low142 Ų142135.6 Ų135.676%0.75975%0.745SS**  72.9151.9129-69.7-4000120.6
960S23.3Very low31.7Very low90 Ų90137.4 Ų137.463%0.62974%0.74SS**  cis-169.1171.7-24.8-157.10000110.7
961L25.8Very low31.5Very low149 Ų149139.5 Ų139.578%0.7874%0.742SS**  trans49.697.7152-70.2157.8000120.9
962R28.1Very low31Very low225 Ų225138 Ų13885%0.84975%0.746SS**  14.7157.2110.4-148.2-149-79.9164.4-7.2118.6
963P53Low30.8Very low101 Ų101136.5 Ų136.566%0.65675%0.75SS**  -116.7-164.6-65.339.7-22.8000111.4
964P40.4Very low30.8Very low126 Ų126136.1 Ų136.182%0.81876%0.757SS**  -151.7174.192.739.6-20.3000117.8
965L32.6Very low30.8Very low163 Ų163135.4 Ų135.485%0.85376%0.762SS**  trans-73.4178.7170-71.2167.1000111.5
966P43Very low31.3Very low107 Ų107136.7 Ų136.770%0.69577%0.765SS**  cis-159.4-167.828.749.1-26.9000120.8
967L29.5Very low31.6Very low140 Ų140140.3 Ų140.373%0.73378%0.777SS**  trans79.3103.4149-73.8176.7000123.3
968Q27.9Very low32.1Very low179 Ų179136.5 Ų136.584%0.83678%0.776SS**  78.2154.6123.3-90.3-158.673.900124.3
969A27.2Very low31.9Very low90 Ų90141.2 Ų141.274%0.74478%0.784SS**  trans72.6154.2163.900000119.2
970K30.5Very low32.4Very low159 Ų159141.4 Ų141.469%0.69179%0.791SS**  cis-174.3151.6-37-157.4175.6171.9-81.50107.1
971E28.7Very low33Very low159 Ų159145.7 Ų145.774%0.74380%0.798SS**  trans56.6170.7178.3-87.380.8-113.400115.5
972G30Very low33.6Very low72 Ų72144.2 Ų144.274%0.74280%0.797SS**  trans-156.2161.7179.300000113.2
973V28.4Very low33.9Very low135 Ų135145.8 Ų145.882%0.81880%0.803SS**  trans-141.3134.3169.3162.50000107.8S975V973-S975 PolarHBondContact O-N 3.39Å
974H29.3Very low33.5Very low196 Ų196147 Ų14791%0.90780%0.804SS**  trans-75119.7168.2-63.5-85000109
975S27Very low33.6Very low113 Ų113146.8 Ų146.879%0.7981%0.806SS**  trans-123.2112.3170.1-156.80000109.2V973V973-S975 PolarHBondContact O-N 3.39Å
976V35.8Very low34.6Very low132 Ų132145.1 Ų145.180%0.879%0.792SS**  trans-76.9129.1175-75.20000109.8
977N31.4Very low35.8Very low167 Ų167143.3 Ų143.389%0.89378%0.779SS**  trans-166.6128.1146-103.6-37.9000111.5R979N977-R979 PolarHBondContact O-N 2.78Å
978G44.8Very low37.3Very low79 Ų79141.6 Ų141.681%0.81478%0.776SS**  trans-78.8112.2177.200000111.9
979R29.3Very low39.1Very low242 Ų242139.5 Ų139.591%0.91377%0.767SS**  trans-137101.4153.3-86.9-165169.5-141.8-2.4109.3N977 K981N977-R979 PolarHBondContact O-N 2.78Å; R979-K981 PolarHBondContact O-N 3.18Å
980T34.6Very low41.4Very low146 Ų146139.3 Ų139.390%0.89675%0.75SS**PPolyproline II helixtrans-63.1118.1165.836.20000109.1
981K35.1Very low44Very low180 Ų180138.1 Ų138.178%0.78375%0.745SS**PPolyproline II helixtrans-74.3159.6158-71.2-176.9176.9-178.40108.6R979R979-K981 PolarHBondContact O-N 3.18Å
982P38.3Very low46.2Very low117 Ų117133.2 Ų133.276%0.7673%0.732SS**PPolyproline II helixtrans-55.2152.4166.7-21.934.1000110.8D984P982-D984 PolarHBondContact O-N 3.13Å
983W34.7Very low48.5Very low258 Ų258135.5 Ų135.598%0.97772%0.723SS**  trans-71.6109.2178.3-6685000110.1
984D45.5Very low51Low127 Ų127134.2 Ų134.268%0.67971%0.708SS**  trans-65.4134.8164-74.1-52.6000109.3P982 F986P982-D984 PolarHBondContact O-N 3.13Å; D984-F986 WeakPolarHBondContact O-CD2 3.46Å; D984-F986 PolarHBondContact O-N 3.26Å
985S41Very low53.6Low122 Ų122131 Ų13185%0.85369%0.692SS**  trans-8279.8-172178.10000111.9
986F54.8Low56.2Low127 Ų127131.2 Ų131.256%0.55768%0.68SS**  trans-56.6146172.9-71.5-80.6000113D984 E990D984-F986 WeakPolarHBondContact O-CD2 3.46Å; D984-F986 PolarHBondContact O-N 3.26Å; F986-E990 HydrophobicContact CD1-CB 4.49Å
987T67.7Low58.4Low69 Ų69130.5 Ų130.542%0.42367%0.668SS.*  trans-77.8152.4171.665.70000111.3E989 E990 F991T987-E989 PolarHBondContact O-N 3.03Å; T987-E990 WeakPolarHBondContact CB-OE2 3.31Å; T987-E990 PolarHBondContact N-OE2 3.16Å; T987-E990 PolarHBondContact O-N 2.81Å; T987-E990 VanDerWaalsContact O-N 3.17Å; T987-E990 VanDerWaalsContact OG1-CD 3.28Å; T987-E990 VanDerWaalsContact OG1-CG 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.41Å; T987-E990 PolarHBondContact OG1-N 3.46Å; T987-E990 PolarHBondContact OG1-OE2 2.68Å; T987-F991 PolarHBondContact O-N 3.49Å
988P61.8Low61Low105 Ų105126 Ų12668%0.68265%0.65SS**Hα-helixtrans-58-33.2176.5-26.536000113.7F991 A992P988-F991 PolarHBondContact O-N 2.87Å; P988-A992 WeakPolarHBondContact O-CB 3.33Å; P988-A992 PolarHBondContact O-N 2.94Å
989E65.9Low62.9Low135 Ų135125.4 Ų125.463%0.63163%0.63SS**Hα-helixtrans-60-46.2175-12369.7-151.500112.2T987 A992 Q993T987-E989 PolarHBondContact O-N 3.03Å; E989-A992 PolarHBondContact O-N 3.38Å; E989-Q993 VanDerWaalsContact O-CG 3.3Å; E989-Q993 WeakPolarHBondContact O-CG 3.48Å; E989-Q993 PolarHBondContact O-N 3.45Å
990E74.8Confident65.6Low85 Ų85118.4 Ų118.440%0.39761%0.61SS.*Hα-helixtrans-67.8-39.9179.9-69.8164.4121.600111.4F986 T987 Q993 Q994F986-E990 HydrophobicContact CD1-CB 4.49Å; T987-E990 WeakPolarHBondContact CB-OE2 3.31Å; T987-E990 PolarHBondContact N-OE2 3.16Å; T987-E990 PolarHBondContact O-N 2.81Å; T987-E990 VanDerWaalsContact O-N 3.17Å; T987-E990 VanDerWaalsContact OG1-CD 3.28Å; T987-E990 VanDerWaalsContact OG1-CG 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.41Å; T987-E990 PolarHBondContact OG1-N 3.46Å; T987-E990 PolarHBondContact OG1-OE2 2.68Å; E990-Q993 PolarHBondContact O-N 2.98Å; E990-Q994 WeakPolarHBondContact O-CB 3.22Å; E990-Q994 WeakPolarHBondContact O-CG 3.42Å; E990-Q994 PolarHBondContact O-N 3.45Å
991F83.9Confident67.5Low135 Ų135117.3 Ų117.359%0.59260%0.595SS**Hα-helixtrans-61.3-44.8173.4175.2-97.3000111.6T987 P988 Q993 Q994 F995T987-F991 PolarHBondContact O-N 3.49Å; P988-F991 PolarHBondContact O-N 2.87Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; F991-Q993 PolarHBondContact O-N 2.7Å; F991-Q994 PolarHBondContact O-N 3.14Å; F991-F995 VanDerWaalsContact O-CB 3.29Å; F991-F995 WeakPolarHBondContact O-CB 3.22Å; F991-F995 PolarHBondContact O-N 3.37Å
992A76.9Confident69.6Low55 Ų55112.5 Ų112.546%0.45558%0.584SS.*Hα-helixtrans-62.4-40.1177.600000112.2P988 E989 H996P988-A992 WeakPolarHBondContact O-CB 3.33Å; P988-A992 PolarHBondContact O-N 2.94Å; E989-A992 PolarHBondContact O-N 3.38Å; A992-H996 WeakPolarHBondContact O-CB 3.48Å; A992-H996 PolarHBondContact O-N 3.34Å
993Q77.6Confident71.5Confident121 Ų121110.6 Ų110.657%0.56557%0.57SS**Hα-helixtrans-68-47.4176.5-711723800112E989 E990 F991 F995 H996 E997E989-Q993 VanDerWaalsContact O-CG 3.3Å; E989-Q993 WeakPolarHBondContact O-CG 3.48Å; E989-Q993 PolarHBondContact O-N 3.45Å; E990-Q993 PolarHBondContact O-N 2.98Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; F991-Q993 PolarHBondContact O-N 2.7Å; Q993-F995 VanDerWaalsContact C-N 3.32Å; Q993-F995 PolarHBondContact O-N 2.84Å; Q993-H996 WeakPolarHBondContact O-CB 3.4Å; Q993-H996 PolarHBondContact O-N 2.94Å; Q993-E997 PolarHBondContact O-N 3.13Å
994Q79.7Confident73.3Confident107 Ų107104.3 Ų104.350%0.555%0.552SS.*Hα-helixtrans-62.7-37.8176.6-72.4-179.711.200112.3E990 F991 S998E990-Q994 WeakPolarHBondContact O-CB 3.22Å; E990-Q994 WeakPolarHBondContact O-CG 3.42Å; E990-Q994 PolarHBondContact O-N 3.45Å; F991-Q994 PolarHBondContact O-N 3.14Å; Q994-S998 WeakPolarHBondContact O-CB 3.29Å; Q994-S998 PolarHBondContact O-N 3.36Å
995F84.6Confident74.6Confident128 Ų128106 Ų10656%0.56155%0.553SS**Hα-helixtrans-63.6-44.9173.3-178-98.5000111.4F991 Q993 S998 V999F991-F995 VanDerWaalsContact O-CB 3.29Å; F991-F995 WeakPolarHBondContact O-CB 3.22Å; F991-F995 PolarHBondContact O-N 3.37Å; Q993-F995 VanDerWaalsContact C-N 3.32Å; Q993-F995 PolarHBondContact O-N 2.84Å; F995-S998 PolarHBondContact O-N 3.21Å; F995-V999 HydrophobicContact CD1-CG2 4.25Å; F995-V999 HydrophobicContact CE1-CG2 3.85Å; F995-V999 HydrophobicContact CE2-CG2 4.2Å; F995-V999 HydrophobicContact CZ-CG2 3.82Å; F995-V999 WeakPolarHBondContact O-CG2 3.35Å; F995-V999 PolarHBondContact O-N 3.44Å
996H82.9Confident75.8Confident118 Ų118102.8 Ų102.855%0.54653%0.534SS..Hα-helixtrans-61-46.7177.5-17469.3000112.3A992 Q993 V999 L1000A992-H996 WeakPolarHBondContact O-CB 3.48Å; A992-H996 PolarHBondContact O-N 3.34Å; Q993-H996 WeakPolarHBondContact O-CB 3.4Å; Q993-H996 PolarHBondContact O-N 2.94Å; H996-V999 PolarHBondContact O-N 3.06Å; H996-L1000 WeakPolarHBondContact O-CG 3.22Å; H996-L1000 PolarHBondContact O-N 2.92Å
997E81.9Confident76.2Confident117 Ų117102.5 Ų102.555%0.54754%0.537SS..Hα-helixtrans-63.7-41.9175.8-70-167.9162.900112.4Q993 L1000 Q1001Q993-E997 PolarHBondContact O-N 3.13Å; E997-L1000 PolarHBondContact O-N 2.9Å; E997-Q1001 WeakPolarHBondContact O-CB 3.32Å; E997-Q1001 VanDerWaalsContact O-CG 3.29Å; E997-Q1001 WeakPolarHBondContact O-CG 3.11Å; E997-Q1001 PolarHBondContact O-N 2.93Å
998S85.9Confident75.7Confident73 Ų73105.8 Ų105.851%0.5155%0.548SS..Hα-helixtrans-61.7-44177.6-176.30000112.2Q994 F995 S1002Q994-S998 WeakPolarHBondContact O-CB 3.29Å; Q994-S998 PolarHBondContact O-N 3.36Å; F995-S998 PolarHBondContact O-N 3.21Å; S998-S1002 VanDerWaalsContact O-CB 3.29Å; S998-S1002 WeakPolarHBondContact O-CB 3.4Å; S998-S1002 PolarHBondContact O-N 2.97Å
999V84.9Confident75.6Confident66 Ų66108.8 Ų108.840%0.455%0.55SS.*Hα-helixtrans-63-47.6175.1170.80000110.8F995 H996 Q1001 S1002 T1003F995-V999 HydrophobicContact CD1-CG2 4.25Å; F995-V999 HydrophobicContact CE1-CG2 3.85Å; F995-V999 HydrophobicContact CE2-CG2 4.2Å; F995-V999 HydrophobicContact CZ-CG2 3.82Å; F995-V999 WeakPolarHBondContact O-CG2 3.35Å; F995-V999 PolarHBondContact O-N 3.44Å; H996-V999 PolarHBondContact O-N 3.06Å; V999-Q1001 PolarHBondContact O-N 2.98Å; V999-S1002 PolarHBondContact O-N 3.1Å; V999-T1003 PolarHBondContact O-N 3.43Å; V999-T1003 PolarHBondContact O-OG1 3Å
1000L85.3Confident75Confident95 Ų95110.3 Ų110.350%0.49756%0.557SS.*Hα-helixtrans-59.7-46.3177.9-74.7173.8000112.4H996 E997 S1002 T1003 Q1004H996-L1000 WeakPolarHBondContact O-CG 3.22Å; H996-L1000 PolarHBondContact O-N 2.92Å; E997-L1000 PolarHBondContact O-N 2.9Å; L1000-S1002 PolarHBondContact O-N 3.25Å; L1000-T1003 PolarHBondContact O-N 2.88Å; L1000-Q1004 WeakPolarHBondContact O-CB 3.46Å; L1000-Q1004 PolarHBondContact O-N 3.46Å
1001Q74.9Confident73.5Confident123 Ų123115.3 Ų115.358%0.57558%0.577SS**Hα-helixtrans-63-41.4177.2-71.9179.841.600111.7E997 V999 Q1004 K1005E997-Q1001 WeakPolarHBondContact O-CB 3.32Å; E997-Q1001 VanDerWaalsContact O-CG 3.29Å; E997-Q1001 WeakPolarHBondContact O-CG 3.11Å; E997-Q1001 PolarHBondContact O-N 2.93Å; V999-Q1001 PolarHBondContact O-N 2.98Å; Q1001-Q1004 PolarHBondContact O-N 2.79Å; Q1001-K1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-K1005 PolarHBondContact O-N 2.86Å
1002S78.7Confident71.7Confident79 Ų79113 Ų11355%0.55258%0.584SS**Hα-helixtrans-61.2-48.5175.8-172.20000111.8S998 V999 L1000 Q1004 K1005 A1006S998-S1002 VanDerWaalsContact O-CB 3.29Å; S998-S1002 WeakPolarHBondContact O-CB 3.4Å; S998-S1002 PolarHBondContact O-N 2.97Å; V999-S1002 PolarHBondContact O-N 3.1Å; L1000-S1002 PolarHBondContact O-N 3.25Å; S1002-Q1004 PolarHBondContact O-N 3.17Å; S1002-K1005 PolarHBondContact O-N 3.15Å; S1002-A1006 PolarHBondContact O-N 2.9Å
1003T77.8Confident70.1Confident77 Ų77116 Ų11647%0.47260%0.601SS.*Hα-helixtrans-62.3-43177.6-53.80000112V999 L1000 K1005 A1006 L1007V999-T1003 PolarHBondContact O-N 3.43Å; V999-T1003 PolarHBondContact O-OG1 3Å; L1000-T1003 PolarHBondContact O-N 2.88Å; T1003-K1005 PolarHBondContact O-N 3.22Å; T1003-A1006 PolarHBondContact O-N 3.38Å; T1003-L1007 HydrophobicContact CG2-CD1 4.28Å; T1003-L1007 PolarHBondContact O-N 3.15Å
1004Q73.4Confident68.2Low126 Ų126113.4 Ų113.459%0.58961%0.606SS**Hα-helixtrans-66.7-37178.5-163.7176.534.200112.1L1000 Q1001 S1002 L1007 Q1008L1000-Q1004 WeakPolarHBondContact O-CB 3.46Å; L1000-Q1004 PolarHBondContact O-N 3.46Å; Q1001-Q1004 PolarHBondContact O-N 2.79Å; S1002-Q1004 PolarHBondContact O-N 3.17Å; Q1004-L1007 PolarHBondContact O-N 2.89Å; Q1004-Q1008 PolarHBondContact O-N 3.15Å
1005K71.5Confident66.2Low164 Ų164115.6 Ų115.671%0.71363%0.627SS**Hα-helixtrans-68.3-36.8175.8-168.7172.8-174.5175.20112.3Q1001 S1002 T1003 K1009Q1001-K1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-K1005 PolarHBondContact O-N 2.86Å; S1002-K1005 PolarHBondContact O-N 3.15Å; T1003-K1005 PolarHBondContact O-N 3.22Å; K1005-K1009 PolarHBondContact O-N 3.28Å
1006A66.4Low63.8Low53 Ų53113.2 Ų113.244%0.43864%0.638SS.*Hα-helixtrans-63.8-46.4171.200000111.8S1002 T1003 Q1008 K1009 H1010S1002-A1006 PolarHBondContact O-N 2.9Å; T1003-A1006 PolarHBondContact O-N 3.38Å; A1006-Q1008 PolarHBondContact O-N 3.48Å; A1006-K1009 WeakPolarHBondContact O-CB 3.48Å; A1006-K1009 PolarHBondContact O-N 3.42Å; A1006-K1009 VanDerWaalsContact O-N 3.14Å; A1006-H1010 PolarHBondContact O-N 3.23Å
1007L63.4Low61.4Low122 Ų122111.9 Ų111.964%0.63965%0.648SS**Hα-helixtrans-60.6-39.8177.3-81.9161.3000113.1T1003 Q1004T1003-L1007 HydrophobicContact CG2-CD1 4.28Å; T1003-L1007 PolarHBondContact O-N 3.15Å; Q1004-L1007 PolarHBondContact O-N 2.89Å
1008Q57.3Low59.1Low137 Ų137113.6 Ų113.664%0.6466%0.661SS**Hα-helixtrans-65.3-37.8174.2-73.6-175.16.700112.5Q1004 A1006 H1010 K1011 A1012Q1004-Q1008 PolarHBondContact O-N 3.15Å; A1006-Q1008 PolarHBondContact O-N 3.48Å; Q1008-H1010 VanDerWaalsContact C-N 3.28Å; Q1008-H1010 PolarHBondContact O-N 2.9Å; Q1008-K1011 PolarHBondContact O-N 3.42Å; Q1008-A1012 PolarHBondContact O-N 2.94Å
1009K59.7Low56.6Low169 Ų169116.5 Ų116.574%0.73568%0.676SS**Hα-helixtrans-60.3-35.6-179.4-162.9-180-178.8-172.80112.6K1005 A1006 K1011K1005-K1009 PolarHBondContact O-N 3.28Å; A1006-K1009 WeakPolarHBondContact O-CB 3.48Å; A1006-K1009 PolarHBondContact O-N 3.42Å; A1006-K1009 VanDerWaalsContact O-N 3.14Å; K1009-K1011 VanDerWaalsContact C-N 3.34Å
1010H52.3Low54.1Low167 Ų167118.9 Ų118.977%0.77370%0.695SS**Hα-helixtrans-72.8-22.2174.7-80-87.9000114.1A1006 Q1008A1006-H1010 PolarHBondContact O-N 3.23Å; Q1008-H1010 VanDerWaalsContact C-N 3.28Å; Q1008-H1010 PolarHBondContact O-N 2.9Å
1011K45.4Very low51.5Low189 Ų189122.2 Ų122.282%0.82271%0.713SS**Hα-helixtrans-87.3-8.6-177.5-159.5160.6-175.1172.10114.1Q1008 K1009Q1008-K1011 PolarHBondContact O-N 3.42Å; K1009-K1011 VanDerWaalsContact C-N 3.34Å
1012A45.5Very low49.4Very low88 Ų88121.3 Ų121.373%0.72772%0.72SS**SBendtrans-89.9-19.7177.800000114.2Q1008 G1014Q1008-A1012 PolarHBondContact O-N 2.94Å; A1012-G1014 VanDerWaalsContact C-N 3.28Å; A1012-G1014 PolarHBondContact O-N 3.5Å; A1012-G1014 VanDerWaalsContact O-N 3.15Å
1013S43Very low47.1Very low117 Ų117122.6 Ų122.682%0.81873%0.729SS**SBendtrans-89.941.1-172.2-168.90000113.4
1014G37.6Very low44.7Very low66 Ų66126.8 Ų126.868%0.6874%0.743SS**  trans-131.311.5-161.100000117.6A1012A1012-G1014 VanDerWaalsContact C-N 3.28Å; A1012-G1014 PolarHBondContact O-N 3.5Å; A1012-G1014 VanDerWaalsContact O-N 3.15Å
1015V38.6Very low43Very low153 Ų153129 Ų12993%0.92776%0.759SS**  trans-146.6117.9175.7-174.80000109.8
1016G32.5Very low41.1Very low78 Ų78127.6 Ų127.680%0.80475%0.754SS**  trans152.8109.9173.500000114.6
1017A33.9Very low39.2Very low91 Ų91132.2 Ų132.275%0.75277%0.767SS**  trans-64145.2-167.500000118.4
1018N33.1Very low37.6Very low152 Ų152132.5 Ų132.581%0.81378%0.779SS**  trans26.8134.8135.7-50.5-1.4000121.2
1019V33Very low36.4Very low135 Ų135133.2 Ų133.282%0.81879%0.786SS**  -174.6132.2116.1140.90000112.7
1020S33Very low35Very low115 Ų115130.6 Ų130.680%0.80479%0.785SS**  trans55.8143.1159.7-61.70000123.6
1021D31.1Very low33.8Very low165 Ų165129.7 Ų129.788%0.88278%0.78SS**  trans-77.1151.2174.3-60.2-86.2000115.1
1022S29.3Very low33.1Very low104 Ų104130.6 Ų130.673%0.72778%0.78SS**  -178.9130.6109-167.90000113.6
1023S31Very low32.4Very low106 Ų106132.7 Ų132.774%0.74178%0.779SS**  trans42.293.8146.265.10000121.2
1024H27.3Very low31.6Very low165 Ų165134.1 Ų134.176%0.76478%0.776SS**  -162132.8121.9-162.5-94.8000110.2
1025L37.5Very low31.3Very low174 Ų174136.8 Ų136.891%0.91178%0.781SS**  trans-121.3105.1175.2-87.2174.8000110.3
1026Q31.4Very low31Very low133 Ų133138.1 Ų138.162%0.62178%0.778SS**  trans-157.4146.9154-127.5171.1-4100111.8
1027E26.9Very low30.9Very low150 Ų150142.8 Ų142.870%0.70178%0.783SS**  trans55.487.1157.6-73.2155.5-133.100119L1029E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.47Å; E1027-L1029 VanDerWaalsContact O-N 3.09Å
1028S29.8Very low30.6Very low128 Ų128147.6 Ų147.690%0.89579%0.79SS**  trans-77.777.9155.2-170.10000110.4
1029L33Very low30.2Very low152 Ų152146.1 Ų146.180%0.79679%0.792SS**  trans-96.5123.8171.3-162.174.7000109.8E1027 H1031E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.47Å; E1027-L1029 VanDerWaalsContact O-N 3.09Å; L1029-H1031 PolarHBondContact O-N 3.38Å
1030V30.6Very low29.9Very low115 Ų115144 Ų14470%0.69779%0.788SS**  trans-74.496.4-176-179.10000110.6Y1032V1030-Y1032 HydrophobicContact CG1-CD2 4.46Å; V1030-Y1032 HydrophobicContact CG1-CE2 4.14Å; V1030-Y1032 PolarHBondContact O-N 2.83Å
1031H26.4Very low30Very low148 Ų148144.7 Ų144.769%0.68579%0.79SS**  trans-78.8108.4-177.8177.377.9000112.2L1029 N1033L1029-H1031 PolarHBondContact O-N 3.38Å; H1031-N1033 PolarHBondContact CD2-ND2 2.86Å; H1031-N1033 PolarHBondContact NE2-ND2 3.13Å
1032Y30.8Very low29.6Very low207 Ų207143 Ų14381%0.81279%0.791SS**  trans-80.8115.1170.6-83.7-89.7000110.8V1030V1030-Y1032 HydrophobicContact CG1-CD2 4.46Å; V1030-Y1032 HydrophobicContact CG1-CE2 4.14Å; V1030-Y1032 PolarHBondContact O-N 2.83Å
1033N29.9Very low29.6Very low132 Ų132148.8 Ų148.871%0.70680%0.797SS**  trans-73.9128172-94.8-108.1000111.1H1031H1031-N1033 PolarHBondContact CD2-ND2 2.86Å; H1031-N1033 PolarHBondContact NE2-ND2 3.13Å
1034I26.9Very low29.7Very low147 Ų147149.3 Ų149.375%0.75480%0.797SS**  trans-111130.3158.1-63.9173.1000106.4E1036I1034-E1036 PolarHBondContact O-N 3.35Å; I1034-E1036 VanDerWaalsContact O-N 3.08Å
1035P32.2Very low30.1Very low123 Ų123147 Ų14780%0.79980%0.797SS**  trans-69.3105.5-177.5-21.534.3000112.9
1036E31.3Very low30.1Very low181 Ų181144.5 Ų144.585%0.84679%0.791SS**  trans-74.8132.4167.6-64.8-174.9151.600110.5I1034 Q1038I1034-E1036 PolarHBondContact O-N 3.35Å; I1034-E1036 VanDerWaalsContact O-N 3.08Å; E1036-Q1038 PolarHBondContact O-N 2.81Å
1037L30.6Very low30.2Very low175 Ų175146.7 Ų146.792%0.91680%0.802SS**  trans-78.5103.7178.3-73.4171.4000110.5S1039L1037-S1039 PolarHBondContact O-N 2.91Å; L1037-S1039 VanDerWaalsContact O-N 3.16Å
1038Q27.8Very low30.9Very low193 Ų193145.4 Ų145.490%0.90281%0.806SS**  trans-65.7111.3173.1-69.1-176.4-5.800111.3E1036 A1040E1036-Q1038 PolarHBondContact O-N 2.81Å; Q1038-A1040 PolarHBondContact O-N 3.4Å
1039S23.9Very low30.8Very low121 Ų121147 Ų14785%0.84681%0.805SS**PPolyproline II helixtrans-74.4117.4167.655.80000110.7L1037L1037-S1039 PolarHBondContact O-N 2.91Å; L1037-S1039 VanDerWaalsContact O-N 3.16Å
1040A26.4Very low30.6Very low90 Ų90142.8 Ų142.874%0.74480%0.799SS**PPolyproline II helixtrans-97.1163.5175.500000111.4Q1038Q1038-A1040 PolarHBondContact O-N 3.4Å
1041P34.8Very low30.6Very low130 Ų130145.8 Ų145.884%0.84481%0.805SS**PPolyproline II helixtrans-90.5160.7-13934.1-38.6000115.9
1042S24.5Very low30.7Very low129 Ų129147.2 Ų147.290%0.90281%0.812SS**  trans-134.7163.5162.5-165.80000111.9
1043R28Very low30.5Very low226 Ų226146.7 Ų146.785%0.85381%0.814SS**  trans-115.5145.8-161.6-169.6178.7-175.7-147.73.5110
1044P34Very low31Very low116 Ų116145.6 Ų145.675%0.75381%0.814SS**PPolyproline II helixtrans-72145.6-172.128-36.5000113.8
1045P34.8Very low31.4Very low116 Ų116146.5 Ų146.575%0.75382%0.819SS**PPolyproline II helixtrans-82160.8160.635.2-33.3000111.6
1046P37.3Very low31.6Very low122 Ų122146.4 Ų146.479%0.79282%0.819SS**PPolyproline II helixtrans-85169.5-178.735.3-36.7000114
1047Q34.2Very low31.4Very low179 Ų179145 Ų14584%0.83682%0.816SS**PPolyproline II helixtrans-62.4161.2167.3-68.2-174.9-19.200112.4
1048P41.5Very low31.2Very low123 Ų123143.4 Ų143.480%0.79980%0.804SS**  -136.9156.5110.738.3-29.5000115.9
1049N29Very low31.2Very low161 Ų161144 Ų14486%0.86180%0.803SS**  trans-5.2136.7161.5-71.5-11.2000120.6
1050G28.4Very low31.3Very low65 Ų65146.1 Ų146.167%0.6780%0.8SS**  127.3125.3100.900000119.5
1051Q29.6Very low31.3Very low178 Ų178146.9 Ų146.983%0.83281%0.806SS**  trans59108.5143.6-50.8175.9-1100117.3
1052H28Very low31Very low178 Ų178145.5 Ų145.582%0.82481%0.806SS**  -167.1154.566.6-103.2-84.4000114.6
1053F27.3Very low31.2Very low196 Ų196146.2 Ų146.286%0.8680%0.804SS**  trans-100.6179.2166.9-91.9-85.1000110.2
1054P40.6Very low31.4Very low109 Ų109144.2 Ų144.271%0.70881%0.807SS**  cis-134.1-174.3-1231.3-9.1000115.2
1055L36.1Very low31.1Very low166 Ų166148.7 Ų148.787%0.86981%0.809SS**  trans-67.5158.1157.4-70.6159.4000112.3
1056P36.4Very low30.8Very low121 Ų121150 Ų15079%0.78681%0.805SS**  -148.6-178.6108.236.1-19.4000114
1057L25.9Very low30.4Very low151 Ų151150.9 Ų150.979%0.79180%0.803SS**  cis171.2138.3-35.2-177.272.1000107.3
1058H26.7Very low30.2Very low141 Ų141149.4 Ų149.465%0.65380%0.8SS**  trans51.8134163.6-96.3-102.8000121E1060H1058-E1060 IonicContact CE1-OE2 3.8Å
1059K26.8Very low29.7Very low206 Ų206150 Ų15090%0.89681%0.807SS**  -166130.799.1-106.7175.2-178179.20113.4
1060E27.1Very low29.6Very low166 Ų166145.7 Ų145.778%0.77680%0.8SS**  trans-85.3161.7159.3-60.5163114.300109.6H1058H1058-E1060 IonicContact CE1-OE2 3.8Å
1061A26.8Very low30.2Very low105 Ų105148.6 Ų148.687%0.86881%0.808SS**  trans-149116.3160.400000109.5
1062A28.6Very low30.3Very low102 Ų102147.6 Ų147.684%0.84381%0.808SS**  trans-100.7149.9173.100000110.6
1063V27.7Very low30.5Very low144 Ų144146.2 Ų146.287%0.87381%0.807SS**  trans-136.7128.3168.81800000108.6
1064M33.1Very low30.7Very low184 Ų184142.4 Ų142.491%0.90681%0.805SS**  trans-111.1139.3167-82-168.4170.100110.1
1065R28.3Very low30.2Very low209 Ų209145.4 Ų145.479%0.78981%0.809SS**  trans-159.4120.5146.8-78.6-145.1-169.8-88.9-0.9106.1
1066E28.4Very low30.3Very low144 Ų144146.4 Ų146.467%0.67381%0.809SS**  82.1109.372.9-74.8173141.900113.6
1067D27.8Very low30.2Very low140 Ų140149.9 Ų149.975%0.74982%0.815SS**  trans77.6120.5139.5-76.913.5000125
1068L30.7Very low30.5Very low149 Ų149150.8 Ų150.878%0.7882%0.82SS**  trans67.991.2131.5-59.9170.9000119.7
1069S30.8Very low30.9Very low135 Ų135151.1 Ų151.194%0.94483%0.827SS**  178.1162.2110.240.70000112.5
1070G26.9Very low31.4Very low70 Ų70151.2 Ų151.272%0.72283%0.831SS**  trans-163.9-167168.500000108.2
1071P40.6Very low32Very low127 Ų127151.6 Ų151.683%0.82583%0.833SS**  cis-108.2175.3-8.140.4-30.8000111.8
1072D30.8Very low32.8Very low156 Ų156155.4 Ų155.483%0.83483%0.832SS**  trans-148.6137.5144.7-136.3-10.9000108.3
1073D32.1Very low33.4Very low150 Ų150158.8 Ų158.880%0.80283%0.831SS**  trans-90.5143.1168.3-84.9-54.2000107.9
1074S33.1Very low34.4Very low116 Ų116159.3 Ų159.381%0.81182%0.824SS**  trans-146.2110.1166.8-70.80000107.8
1075E30.5Very low35.2Very low172 Ų172153.9 Ų153.980%0.80481%0.808SS**  trans-78.4159.7-179.4-61.9179.8145.200111.2
1076E36.4Very low36.1Very low186 Ų186149.4 Ų149.487%0.86981%0.806SS**  trans29.190.6151.8-60.2-172.9177.700118.8
1077E35.3Very low37.4Very low195 Ų195147.3 Ų147.391%0.91180%0.803SS**  -168.6122.9122.8-108.3174.3-171.900109.6
1078D32.3Very low39Very low169 Ų169146.3 Ų146.390%0.90480%0.804SS**  trans-157.9132.5151.6-108.1-29.3000107.1
1079D34.6Very low40.7Very low149 Ų149148.5 Ų148.580%0.79781%0.808SS**  trans-63.2151.3-177.4-71.6-85.4000111.9E1081D1079-E1081 HydrophobicContact CB-CB 4.26Å; D1079-E1081 PolarHBondContact O-N 3.28Å
1080E37Very low42.9Very low207 Ų207150.9 Ų150.997%0.96780%0.796SS**  trans-70.562.9148-75.5-167.1166.200108.6E1082E1080-E1082 PolarHBondContact O-N 3.3Å
1081E40.1Very low45.3Very low174 Ų174153.3 Ų153.381%0.81379%0.789SS**  trans-59125.4163.5-159.7174.8-134.800106.2D1079 E1083D1079-E1081 HydrophobicContact CB-CB 4.26Å; D1079-E1081 PolarHBondContact O-N 3.28Å; E1081-E1083 VanDerWaalsContact C-N 3.29Å; E1081-E1083 PolarHBondContact O-N 2.93Å
1082E43.8Very low47.4Very low185 Ų185148.4 Ų148.486%0.86476%0.761SS**  trans-6591.3-177.1-176.4173.3-161.100107.9E1080 E1084E1080-E1082 PolarHBondContact O-N 3.3Å; E1082-E1084 VanDerWaalsContact C-N 3.33Å; E1082-E1084 PolarHBondContact O-N 2.8Å
1083E41.7Very low50.2Low173 Ų173146.1 Ų146.181%0.80875%0.747SS**  trans-57.498.3-178.5-171.4-171.6-177.500107.8E1081 A1085E1081-E1083 VanDerWaalsContact C-N 3.29Å; E1081-E1083 PolarHBondContact O-N 2.93Å; E1083-A1085 PolarHBondContact O-N 2.9Å
1084E47Very low53.1Low155 Ų155145.5 Ų145.572%0.72474%0.74SS**  trans-72.277.1-177.1-170.4-178.8-177.500108E1082 P1086 V1087E1082-E1084 VanDerWaalsContact C-N 3.33Å; E1082-E1084 PolarHBondContact O-N 2.8Å; E1084-P1086 VanDerWaalsContact O-CA 3.3Å; E1084-P1086 WeakPolarHBondContact O-CA 3.39Å; E1084-V1087 HydrophobicContact CG-CG2 4.29Å
1085A50.5Low55.8Low71 Ų71141.3 Ų141.359%0.58771%0.71SS**  trans-44114.9-170.800000109.3E1083 V1087E1083-A1085 PolarHBondContact O-N 2.9Å; A1085-V1087 PolarHBondContact O-N 3.4Å
1086P47.9Very low58.6Low115 Ų115137.7 Ų137.775%0.74770%0.695SS**  trans-55.2107.4-143.813.9-30.8000111.3E1084E1084-P1086 VanDerWaalsContact O-CA 3.3Å; E1084-P1086 WeakPolarHBondContact O-CA 3.39Å
1087V54.4Low61.2Low100 Ų100135.4 Ų135.461%0.60668%0.683SS**  trans-35.9108.6-164.1177.90000110.3E1084 A1085 K1089E1084-V1087 HydrophobicContact CG-CG2 4.29Å; A1085-V1087 PolarHBondContact O-N 3.4Å; V1087-K1089 WeakPolarHBondContact O-CA 3.38Å; V1087-K1089 PolarHBondContact O-N 2.77Å
1088P62.2Low64Low118 Ų118131.4 Ų131.477%0.76666%0.664SS**  trans-48.5105.7-161.9-34.936.3000111.9W1090P1088-W1090 PolarHBondContact O-N 2.85Å
1089K67.3Low66.8Low196 Ų196125.7 Ų125.785%0.85264%0.641SS**  trans-66.397.8-165.1-172.5176.9-176.1176.80108.6V1087 Q1091V1087-K1089 WeakPolarHBondContact O-CA 3.38Å; V1087-K1089 PolarHBondContact O-N 2.77Å; K1089-Q1091 PolarHBondContact O-N 2.89Å
1090W76.3Confident69.7Low185 Ų185125.8 Ų125.870%0.70163%0.631SS**  trans-44.1112.6-160.4176.351.1000112P1088 G1092 S1095 I1096P1088-W1090 PolarHBondContact O-N 2.85Å; W1090-G1092 VanDerWaalsContact CE2-O 3.29Å; W1090-G1092 PolarHBondContact NE1-O 3.29Å; W1090-G1092 PolarHBondContact O-N 2.82Å; W1090-S1095 VanDerWaalsContact CD1-OG 3.28Å; W1090-S1095 PolarHBondContact NE1-OG 3.34Å; W1090-I1096 HydrophobicContact CZ2-CD1 3.9Å
1091Q76.9Confident72.4Confident121 Ų121121.2 Ų121.257%0.56561%0.609SS**  trans-75.833.8-174.3-60.5160.6-31.600111.6K1089 I1093 E1094K1089-Q1091 PolarHBondContact O-N 2.89Å; Q1091-I1093 PolarHBondContact O-N 3.09Å; Q1091-E1094 PolarHBondContact O-N 2.96Å
1092G85.4Confident75Confident23 Ų23119 Ų11924%0.23760%0.599CS.*THydrogen-bonded Turntrans52.4-133-17500000112.6W1090 E1094 S1095W1090-G1092 VanDerWaalsContact CE2-O 3.29Å; W1090-G1092 PolarHBondContact NE1-O 3.29Å; W1090-G1092 PolarHBondContact O-N 2.82Å; G1092-E1094 VanDerWaalsContact C-N 3.32Å; G1092-E1094 PolarHBondContact O-N 3.22Å; G1092-S1095 PolarHBondContact O-OG 3.48Å
1093I90.4Very high77.4Confident109 Ų109114.3 Ų114.356%0.55957%0.574SS**THydrogen-bonded Turntrans-74.2-20.1-173.7-156.9171.4000113.6Q1091 I1096 F1097Q1091-I1093 PolarHBondContact O-N 3.09Å; I1093-I1096 WeakPolarHBondContact O-CB 3.5Å; I1093-I1096 PolarHBondContact O-N 2.88Å; I1093-I1096 VanDerWaalsContact O-N 3.11Å; I1093-F1097 HydrophobicContact CD1-CE2 3.75Å; I1093-F1097 HydrophobicContact CD1-CZ 4.26Å; I1093-F1097 HydrophobicContact CG1-CD2 4Å; I1093-F1097 HydrophobicContact CG1-CE2 3.64Å; I1093-F1097 HydrophobicContact CG1-CZ 4.44Å; I1093-F1097 HydrophobicContact CG2-CD2 4.48Å; I1093-F1097 HydrophobicContact CG2-CE2 4.32Å; I1093-F1097 VanDerWaalsContact O-CD2 3.3Å; I1093-F1097 WeakPolarHBondContact O-CD2 3.35Å; I1093-F1097 PolarHBondContact O-N 2.97Å
1094E92.1Very high80Confident137 Ų137108.8 Ų108.864%0.6455%0.551SS**Hα-helixtrans-64.7-51.2-177.2-66170.1166.600110Q1091 G1092 I1096 F1097 E1098Q1091-E1094 PolarHBondContact O-N 2.96Å; G1092-E1094 VanDerWaalsContact C-N 3.32Å; G1092-E1094 PolarHBondContact O-N 3.22Å; E1094-I1096 PolarHBondContact O-N 3.03Å; E1094-F1097 PolarHBondContact O-N 3.25Å; E1094-E1098 PolarHBondContact O-N 2.93Å
1095S88.8Confident82.4Confident28 Ų28106.9 Ų106.920%0.19654%0.543CS..Hα-helixtrans-56.7-22.9171.963.10000114.9W1090 G1092 A1099W1090-S1095 VanDerWaalsContact CD1-OG 3.28Å; W1090-S1095 PolarHBondContact NE1-OG 3.34Å; G1092-S1095 PolarHBondContact O-OG 3.48Å; S1095-A1099 VanDerWaalsContact O-CB 3.23Å; S1095-A1099 WeakPolarHBondContact O-CB 3.37Å; S1095-A1099 PolarHBondContact O-N 3.13Å; S1095-A1099 VanDerWaalsContact O-N 3.11Å
1096I89.8Confident84.5Confident95 Ų95109.2 Ų109.249%0.48754%0.542SS..Hα-helixtrans-82-36.4176.2-61.8178.5000110.7W1090 I1093 E1094 Y1100W1090-I1096 HydrophobicContact CZ2-CD1 3.9Å; I1093-I1096 WeakPolarHBondContact O-CB 3.5Å; I1093-I1096 PolarHBondContact O-N 2.88Å; I1093-I1096 VanDerWaalsContact O-N 3.11Å; E1094-I1096 PolarHBondContact O-N 3.03Å; I1096-Y1100 VanDerWaalsContact O-CB 3.29Å; I1096-Y1100 WeakPolarHBondContact O-CB 3.22Å; I1096-Y1100 PolarHBondContact O-N 2.78Å
1097F92.5Very high86.8Confident138 Ų138105.8 Ų105.861%0.60552%0.516SS*.Hα-helixtrans-69.7-40.3172.6-76.6-62.8000111.8I1093 E1094 Y1100 H1101I1093-F1097 HydrophobicContact CD1-CE2 3.75Å; I1093-F1097 HydrophobicContact CD1-CZ 4.26Å; I1093-F1097 HydrophobicContact CG1-CD2 4Å; I1093-F1097 HydrophobicContact CG1-CE2 3.64Å; I1093-F1097 HydrophobicContact CG1-CZ 4.44Å; I1093-F1097 HydrophobicContact CG2-CD2 4.48Å; I1093-F1097 HydrophobicContact CG2-CE2 4.32Å; I1093-F1097 VanDerWaalsContact O-CD2 3.3Å; I1093-F1097 WeakPolarHBondContact O-CD2 3.35Å; I1093-F1097 PolarHBondContact O-N 2.97Å; E1094-F1097 PolarHBondContact O-N 3.25Å; F1097-Y1100 PolarHBondContact O-N 3.04Å; F1097-H1101 WeakPolarHBondContact O-CB 3.39Å; F1097-H1101 PolarHBondContact O-N 3.18Å
1098E93.2Very high88.8Confident112 Ų112104.7 Ų104.752%0.52351%0.509SS..Hα-helixtrans-61.5-54.4174.2-69.4174.9161.800110.9E1094 Y1100 H1101 E1102E1094-E1098 PolarHBondContact O-N 2.93Å; E1098-Y1100 PolarHBondContact O-N 3.34Å; E1098-Y1100 VanDerWaalsContact O-N 3.12Å; E1098-H1101 WeakPolarHBondContact O-CA 3.46Å; E1098-H1101 WeakPolarHBondContact O-CB 3.26Å; E1098-H1101 PolarHBondContact O-N 3.06Å; E1098-E1102 WeakPolarHBondContact O-CG 3.31Å; E1098-E1102 PolarHBondContact O-N 3.45Å
1099A90.9Very high90.5Very high49 Ų49103.9 Ų103.941%0.40550%0.498SS..Hα-helixtrans-62.7-22177.500000114.1S1095 Y1103S1095-A1099 VanDerWaalsContact O-CB 3.23Å; S1095-A1099 WeakPolarHBondContact O-CB 3.37Å; S1095-A1099 PolarHBondContact O-N 3.13Å; S1095-A1099 VanDerWaalsContact O-N 3.11Å; A1099-Y1103 VanDerWaalsContact O-CB 3.24Å; A1099-Y1103 WeakPolarHBondContact O-CB 3.42Å; A1099-Y1103 PolarHBondContact O-N 3.09Å
1100Y95.2Very high91.9Very high150 Ų15099.2 Ų99.259%0.58848%0.479SS*.Hα-helixtrans-79.8-37.8170.1-176.1-95.5000112.2I1096 F1097 E1098 Y1103 V1104I1096-Y1100 VanDerWaalsContact O-CB 3.29Å; I1096-Y1100 WeakPolarHBondContact O-CB 3.22Å; I1096-Y1100 PolarHBondContact O-N 2.78Å; F1097-Y1100 PolarHBondContact O-N 3.04Å; E1098-Y1100 PolarHBondContact O-N 3.34Å; E1098-Y1100 VanDerWaalsContact O-N 3.12Å; Y1100-Y1103 HydrophobicContact CD2-CD1 4.48Å; Y1100-Y1103 HydrophobicContact CE2-CD1 4.49Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; Y1100-V1104 HydrophobicContact CD1-CG2 4.22Å; Y1100-V1104 HydrophobicContact CE1-CG2 3.76Å; Y1100-V1104 WeakPolarHBondContact O-CG2 3.49Å; Y1100-V1104 PolarHBondContact O-N 3.34Å
1101H95.1Very high92.8Very high112 Ų11296 Ų9652%0.51947%0.467SS..Hα-helixtrans-65.5-48.5175.2-170.2-4000111F1097 E1098 Y1103 V1104 E1105F1097-H1101 WeakPolarHBondContact O-CB 3.39Å; F1097-H1101 PolarHBondContact O-N 3.18Å; E1098-H1101 WeakPolarHBondContact O-CA 3.46Å; E1098-H1101 WeakPolarHBondContact O-CB 3.26Å; E1098-H1101 PolarHBondContact O-N 3.06Å; H1101-Y1103 VanDerWaalsContact C-N 3.33Å; H1101-Y1103 PolarHBondContact O-N 3.08Å; H1101-V1104 PolarHBondContact O-N 3.46Å; H1101-V1104 VanDerWaalsContact O-N 3.09Å; H1101-E1105 IonicContact CE1-OE1 3.74Å; H1101-E1105 PolarHBondContact CE1-OE1 3.1Å; H1101-E1105 VanDerWaalsContact CE1-OE1 3.31Å; H1101-E1105 IonicContact ND1-OE1 3.59Å; H1101-E1105 PolarHBondContact O-N 3.15Å
1102E94.6Very high93.8Very high126 Ų12696.4 Ų96.459%0.58947%0.469SS*.Hα-helixtrans-54.4-48.2171.8-70-179.5154.800110.9E1098 V1104 E1105 E1106E1098-E1102 WeakPolarHBondContact O-CG 3.31Å; E1098-E1102 PolarHBondContact O-N 3.45Å; E1102-V1104 VanDerWaalsContact C-N 3.3Å; E1102-V1104 PolarHBondContact O-N 2.97Å; E1102-E1105 CarbonylContact O-C 3.24Å; E1102-E1105 PolarHBondContact O-N 2.86Å; E1102-E1105 VanDerWaalsContact O-N 3.09Å; E1102-E1106 WeakPolarHBondContact O-CG 3.23Å; E1102-E1106 PolarHBondContact O-N 3.33Å
1103Y94.4Very high94.4Very high88 Ų8898.7 Ų98.735%0.34548%0.478SS..Hα-helixtrans-59.9-37.5176.6169.5-104.6000112.9A1099 Y1100 H1101 Q1107A1099-Y1103 VanDerWaalsContact O-CB 3.24Å; A1099-Y1103 WeakPolarHBondContact O-CB 3.42Å; A1099-Y1103 PolarHBondContact O-N 3.09Å; Y1100-Y1103 HydrophobicContact CD2-CD1 4.48Å; Y1100-Y1103 HydrophobicContact CE2-CD1 4.49Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; H1101-Y1103 VanDerWaalsContact C-N 3.33Å; H1101-Y1103 PolarHBondContact O-N 3.08Å; Y1103-Q1107 HydrophobicContact CD2-CG 4.05Å; Y1103-Q1107 HydrophobicContact CE1-CG 4.17Å; Y1103-Q1107 HydrophobicContact CE2-CG 3.6Å; Y1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; Y1103-Q1107 WeakPolarHBondContact O-CG 3.49Å; Y1103-Q1107 PolarHBondContact O-N 3.15Å
1104V95.4Very high94.8Very high56 Ų5698.1 Ų98.134%0.33948%0.475SS..Hα-helixtrans-67.3-37.2175168.30000111.3Y1100 H1101 E1102 Q1107 T1108Y1100-V1104 HydrophobicContact CD1-CG2 4.22Å; Y1100-V1104 HydrophobicContact CE1-CG2 3.76Å; Y1100-V1104 WeakPolarHBondContact O-CG2 3.49Å; Y1100-V1104 PolarHBondContact O-N 3.34Å; H1101-V1104 PolarHBondContact O-N 3.46Å; H1101-V1104 VanDerWaalsContact O-N 3.09Å; E1102-V1104 VanDerWaalsContact C-N 3.3Å; E1102-V1104 PolarHBondContact O-N 2.97Å; V1104-Q1107 PolarHBondContact O-N 2.75Å; V1104-T1108 WeakPolarHBondContact O-CG2 3.45Å; V1104-T1108 PolarHBondContact O-N 2.92Å; V1104-T1108 PolarHBondContact O-OG1 2.92Å
1105E96.7Very high95Very high115 Ų11597 Ų9754%0.53747%0.47SS..Hα-helixtrans-73.8-41.6176.7-66.5-166.2150.600113.2H1101 E1102 Q1107 T1108 L1109H1101-E1105 IonicContact CE1-OE1 3.74Å; H1101-E1105 PolarHBondContact CE1-OE1 3.1Å; H1101-E1105 VanDerWaalsContact CE1-OE1 3.31Å; H1101-E1105 IonicContact ND1-OE1 3.59Å; H1101-E1105 PolarHBondContact O-N 3.15Å; E1102-E1105 CarbonylContact O-C 3.24Å; E1102-E1105 PolarHBondContact O-N 2.86Å; E1102-E1105 VanDerWaalsContact O-N 3.09Å; E1105-Q1107 PolarHBondContact O-N 3.12Å; E1105-T1108 WeakPolarHBondContact CA-OG1 3.34Å; E1105-T1108 PolarHBondContact O-N 3.41Å; E1105-T1108 PolarHBondContact O-OG1 3.48Å; E1105-L1109 VanDerWaalsContact O-CB 3.28Å; E1105-L1109 WeakPolarHBondContact O-CB 3.34Å; E1105-L1109 PolarHBondContact O-N 2.96Å
1106E96.2Very high95.4Very high121 Ų12198 Ų9857%0.56548%0.477SS*.Hα-helixtrans-54.1-42.2167.6-74.3-168136.100110.3E1102 E1110E1102-E1106 WeakPolarHBondContact O-CG 3.23Å; E1102-E1106 PolarHBondContact O-N 3.33Å; E1106-E1110 VanDerWaalsContact O-CB 3.27Å; E1106-E1110 WeakPolarHBondContact O-CB 3.44Å; E1106-E1110 PolarHBondContact O-N 2.96Å
1107Q95.8Very high95.8Very high43 Ų4397.4 Ų97.420%0.20147%0.473CS..Hα-helixtrans-73.6-31.9-178.7-80.8-66.5-60.600114.2Y1103 V1104 E1105 E1110 R1111Y1103-Q1107 HydrophobicContact CD2-CG 4.05Å; Y1103-Q1107 HydrophobicContact CE1-CG 4.17Å; Y1103-Q1107 HydrophobicContact CE2-CG 3.6Å; Y1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; Y1103-Q1107 WeakPolarHBondContact O-CG 3.49Å; Y1103-Q1107 PolarHBondContact O-N 3.15Å; V1104-Q1107 PolarHBondContact O-N 2.75Å; E1105-Q1107 PolarHBondContact O-N 3.12Å; Q1107-E1110 PolarHBondContact NE2-OE2 3.2Å; Q1107-R1111 PolarHBondContact O-N 3.37Å; Q1107-R1111 PolarHBondContact O-NE 3.5Å; Q1107-R1111 PolarHBondContact O-NH1 2.89Å; Q1107-R1111 PolarHBondContact O-NH2 3.48Å
1108T96.6Very high96Very high77 Ų7793.8 Ų93.847%0.47246%0.464SS..Hα-helixtrans-74.1-40.4170.952.70000111.1V1104 E1105 R1111 Q1112V1104-T1108 WeakPolarHBondContact O-CG2 3.45Å; V1104-T1108 PolarHBondContact O-N 2.92Å; V1104-T1108 PolarHBondContact O-OG1 2.92Å; E1105-T1108 WeakPolarHBondContact CA-OG1 3.34Å; E1105-T1108 PolarHBondContact O-N 3.41Å; E1105-T1108 PolarHBondContact O-OG1 3.48Å; T1108-R1111 PolarHBondContact O-N 2.92Å; T1108-Q1112 WeakPolarHBondContact O-CB 3.42Å; T1108-Q1112 PolarHBondContact O-N 3.11Å
1109L97.6Very high96.2Very high101 Ų10196.9 Ų96.953%0.52947%0.47SS..Hα-helixtrans-63.8-44.2175.7-175.663.1000111.9E1105 R1111 Q1112 V1113E1105-L1109 VanDerWaalsContact O-CB 3.28Å; E1105-L1109 WeakPolarHBondContact O-CB 3.34Å; E1105-L1109 PolarHBondContact O-N 2.96Å; L1109-R1111 VanDerWaalsContact C-N 3.34Å; L1109-R1111 PolarHBondContact O-N 3.5Å; L1109-Q1112 PolarHBondContact O-N 3.5Å; L1109-V1113 HydrophobicContact CD1-CG2 4.39Å; L1109-V1113 HydrophobicContact CG-CG2 4.5Å; L1109-V1113 WeakPolarHBondContact O-CB 3.49Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.45Å; L1109-V1113 PolarHBondContact O-N 2.77Å
1110E96.4Very high96.6Very high97 Ų97100.9 Ų100.945%0.45348%0.475SS..Hα-helixtrans-57-47.9174.1-179.6177.8-145.800110.7E1106 Q1107 Q1112 V1113 L1114E1106-E1110 VanDerWaalsContact O-CB 3.27Å; E1106-E1110 WeakPolarHBondContact O-CB 3.44Å; E1106-E1110 PolarHBondContact O-N 2.96Å; Q1107-E1110 PolarHBondContact NE2-OE2 3.2Å; E1110-Q1112 PolarHBondContact O-N 2.95Å; E1110-V1113 PolarHBondContact O-N 3.24Å; E1110-L1114 HydrophobicContact CG-CD1 3.86Å; E1110-L1114 HydrophobicContact CG-CG 4.34Å; E1110-L1114 WeakPolarHBondContact O-CB 3.4Å; E1110-L1114 VanDerWaalsContact O-CG 3.28Å; E1110-L1114 WeakPolarHBondContact O-CG 3.43Å; E1110-L1114 PolarHBondContact O-N 2.87Å
1111R96Very high96.7Very high117 Ų11798.7 Ų98.744%0.44247%0.473SS..Hα-helixtrans-62.2-40.4176.5-80.6-175.5-76.3-77.35.7112.6Q1107 T1108 L1109 Q1115Q1107-R1111 PolarHBondContact O-N 3.37Å; Q1107-R1111 PolarHBondContact O-NE 3.5Å; Q1107-R1111 PolarHBondContact O-NH1 2.89Å; Q1107-R1111 PolarHBondContact O-NH2 3.48Å; T1108-R1111 PolarHBondContact O-N 2.92Å; L1109-R1111 VanDerWaalsContact C-N 3.34Å; L1109-R1111 PolarHBondContact O-N 3.5Å; R1111-Q1115 WeakPolarHBondContact O-CB 3.38Å; R1111-Q1115 VanDerWaalsContact O-CG 3.22Å; R1111-Q1115 WeakPolarHBondContact O-CG 3.45Å; R1111-Q1115 PolarHBondContact O-N 3.48Å
1112Q97Very high96.8Very high131 Ų13199.1 Ų99.161%0.61248%0.475SS*.Hα-helixtrans-65.3-43.5176.5-173.7179.21.400111.8T1108 L1109 E1110 S1116T1108-Q1112 WeakPolarHBondContact O-CB 3.42Å; T1108-Q1112 PolarHBondContact O-N 3.11Å; L1109-Q1112 PolarHBondContact O-N 3.5Å; E1110-Q1112 PolarHBondContact O-N 2.95Å; Q1112-S1116 WeakPolarHBondContact O-CB 3.25Å; Q1112-S1116 PolarHBondContact O-N 3.48Å
1113V97.8Very high97Very high70 Ų7095.5 Ų95.542%0.42447%0.467SS..Hα-helixtrans-62.3-50.4176170.40000110.1L1109 E1110 Q1115 S1116 Q1117L1109-V1113 HydrophobicContact CD1-CG2 4.39Å; L1109-V1113 HydrophobicContact CG-CG2 4.5Å; L1109-V1113 WeakPolarHBondContact O-CB 3.49Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.45Å; L1109-V1113 PolarHBondContact O-N 2.77Å; E1110-V1113 PolarHBondContact O-N 3.24Å; V1113-Q1115 PolarHBondContact O-N 3.49Å; V1113-S1116 PolarHBondContact O-N 2.91Å; V1113-S1116 VanDerWaalsContact O-N 3.13Å; V1113-S1116 PolarHBondContact O-OG 3.4Å; V1113-Q1117 HydrophobicContact CG1-CG 4.5Å; V1113-Q1117 WeakPolarHBondContact O-CG 3.48Å; V1113-Q1117 PolarHBondContact O-N 3.26Å
1114L97.9Very high97.1Very high97 Ų9796.1 Ų96.151%0.50847%0.473SS..Hα-helixtrans-58.6-47.2178.1-71.1172.8000111.8E1110 S1116 Q1117 C1118E1110-L1114 HydrophobicContact CG-CD1 3.86Å; E1110-L1114 HydrophobicContact CG-CG 4.34Å; E1110-L1114 WeakPolarHBondContact O-CB 3.4Å; E1110-L1114 VanDerWaalsContact O-CG 3.28Å; E1110-L1114 WeakPolarHBondContact O-CG 3.43Å; E1110-L1114 PolarHBondContact O-N 2.87Å; L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.42Å; L1114-Q1117 PolarHBondContact O-N 3Å; L1114-Q1117 VanDerWaalsContact O-N 3.14Å; L1114-C1118 PolarHBondContact O-N 3.36Å; L1114-C1118 PolarHBondContact O-SG 3.26Å; L1114-C1118 VanDerWaalsContact O-SG 3.34Å
1115Q97.6Very high97.2Very high114 Ų11498.4 Ų98.453%0.53348%0.483SS..Hα-helixtrans-59.4-39.5175-74.5175.511.300112.6R1111 V1113 Q1117 C1118 R1119R1111-Q1115 WeakPolarHBondContact O-CB 3.38Å; R1111-Q1115 VanDerWaalsContact O-CG 3.22Å; R1111-Q1115 WeakPolarHBondContact O-CG 3.45Å; R1111-Q1115 PolarHBondContact O-N 3.48Å; V1113-Q1115 PolarHBondContact O-N 3.49Å; Q1115-Q1117 VanDerWaalsContact C-N 3.32Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å; Q1115-C1118 PolarHBondContact O-N 2.77Å; Q1115-R1119 WeakPolarHBondContact O-CG 3.46Å; Q1115-R1119 PolarHBondContact O-N 2.91Å
1116S97.1Very high97.3Very high50 Ų50100.1 Ų100.135%0.3549%0.486SS..Hα-helixtrans-65.8-34.6176.681.50000112.7Q1112 V1113 L1114 R1120Q1112-S1116 WeakPolarHBondContact O-CB 3.25Å; Q1112-S1116 PolarHBondContact O-N 3.48Å; V1113-S1116 PolarHBondContact O-N 2.91Å; V1113-S1116 VanDerWaalsContact O-N 3.13Å; V1113-S1116 PolarHBondContact O-OG 3.4Å; L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.42Å; S1116-R1120 WeakPolarHBondContact O-CB 3.38Å; S1116-R1120 PolarHBondContact O-N 3.47Å; S1116-R1120 VanDerWaalsContact O-N 3.13Å
1117Q97.3Very high97.4Very high82 Ų8298.9 Ų98.938%0.38348%0.483SS..Hα-helixtrans-77.9-37.9177.3-60.7-62.69.500111.9V1113 L1114 Q1115 R1120 L1121V1113-Q1117 HydrophobicContact CG1-CG 4.5Å; V1113-Q1117 WeakPolarHBondContact O-CG 3.48Å; V1113-Q1117 PolarHBondContact O-N 3.26Å; L1114-Q1117 PolarHBondContact O-N 3Å; L1114-Q1117 VanDerWaalsContact O-N 3.14Å; Q1115-Q1117 VanDerWaalsContact C-N 3.32Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å; Q1117-R1120 PolarHBondContact O-N 3.09Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 VanDerWaalsContact O-CG 3.31Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.14Å; Q1117-L1121 PolarHBondContact O-N 3.47Å
1118C97.2Very high97.5Very high62 Ų62102.3 Ų102.342%0.41950%0.502SS..Hα-helixtrans-56.6-52.2171-67.70000110.7L1114 Q1115 R1120 L1121 E1122L1114-C1118 PolarHBondContact O-N 3.36Å; L1114-C1118 PolarHBondContact O-SG 3.26Å; L1114-C1118 VanDerWaalsContact O-SG 3.34Å; Q1115-C1118 PolarHBondContact O-N 2.77Å; C1118-R1120 VanDerWaalsContact C-N 3.28Å; C1118-R1120 PolarHBondContact O-N 2.96Å; C1118-L1121 CarbonylContact O-C 3.6Å; C1118-L1121 PolarHBondContact O-N 3.34Å; C1118-L1121 VanDerWaalsContact O-N 3.09Å; C1118-E1122 WeakPolarHBondContact O-CB 3.4Å; C1118-E1122 VanDerWaalsContact O-CG 3.22Å; C1118-E1122 WeakPolarHBondContact O-CG 3.31Å; C1118-E1122 PolarHBondContact O-N 3.29Å
1119R98Very high97.6Very high176 Ų176101.2 Ų101.266%0.66450%0.498SS*.Hα-helixtrans-58.6-36.3176.4-70.8180-176.8-179.43113.4Q1115 E1122 A1123Q1115-R1119 WeakPolarHBondContact O-CG 3.46Å; Q1115-R1119 PolarHBondContact O-N 2.91Å; R1119-E1122 WeakPolarHBondContact CA-OE2 3.17Å; R1119-A1123 WeakPolarHBondContact O-CB 3.45Å; R1119-A1123 PolarHBondContact O-N 2.73Å
1120R98Very high97.6Very high133 Ų133100.5 Ų100.550%0.50249%0.494SS..Hα-helixtrans-66.5-43.9175.5-165.4-166-50-91.4-4.7111.6S1116 Q1117 C1118 Q1124S1116-R1120 WeakPolarHBondContact O-CB 3.38Å; S1116-R1120 PolarHBondContact O-N 3.47Å; S1116-R1120 VanDerWaalsContact O-N 3.13Å; Q1117-R1120 PolarHBondContact O-N 3.09Å; C1118-R1120 VanDerWaalsContact C-N 3.28Å; C1118-R1120 PolarHBondContact O-N 2.96Å; R1120-Q1124 WeakPolarHBondContact O-CB 3.38Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.42Å; R1120-Q1124 PolarHBondContact O-N 2.85Å
1121L97.7Very high97.7Very high105 Ų10599 Ų9955%0.5549%0.492SS..Hα-helixtrans-70.9-37.4178.6-70168.9000112Q1117 C1118 Q1124 N1125Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 VanDerWaalsContact O-CG 3.31Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.14Å; Q1117-L1121 PolarHBondContact O-N 3.47Å; C1118-L1121 CarbonylContact O-C 3.6Å; C1118-L1121 PolarHBondContact O-N 3.34Å; C1118-L1121 VanDerWaalsContact O-N 3.09Å; L1121-Q1124 PolarHBondContact O-N 3.1Å; L1121-N1125 VanDerWaalsContact O-CB 3.23Å; L1121-N1125 WeakPolarHBondContact O-CB 3.29Å; L1121-N1125 PolarHBondContact O-N 2.84Å
1122E97.4Very high97.8Very high120 Ų12096.2 Ų96.256%0.56149%0.493SS*.Hα-helixtrans-58.8-49.8171.4-73.5155.2-16000110.6C1118 R1119 Q1124 N1125 Y1126C1118-E1122 WeakPolarHBondContact O-CB 3.4Å; C1118-E1122 VanDerWaalsContact O-CG 3.22Å; C1118-E1122 WeakPolarHBondContact O-CG 3.31Å; C1118-E1122 PolarHBondContact O-N 3.29Å; R1119-E1122 WeakPolarHBondContact CA-OE2 3.17Å; E1122-Q1124 PolarHBondContact O-N 3.13Å; E1122-N1125 PolarHBondContact O-N 3.07Å; E1122-Y1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Y1126 PolarHBondContact O-N 3.01Å
1123A98.1Very high97.8Very high50 Ų5096.4 Ų96.441%0.41349%0.494SS..Hα-helixtrans-63-39.9175.900000112.6R1119 N1127R1119-A1123 WeakPolarHBondContact O-CB 3.45Å; R1119-A1123 PolarHBondContact O-N 2.73Å; A1123-N1127 PolarHBondContact O-N 2.92Å; A1123-N1127 VanDerWaalsContact O-N 3.09Å; A1123-N1127 PolarHBondContact O-ND2 3.4Å
1124Q97.9Very high97.8Very high102 Ų10299.3 Ų99.348%0.47750%0.503SS..Hα-helixtrans-65.2-42.4174.7-77177.1-20.400112R1120 L1121 E1122 N1127 L1128R1120-Q1124 WeakPolarHBondContact O-CB 3.38Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.42Å; R1120-Q1124 PolarHBondContact O-N 2.85Å; L1121-Q1124 PolarHBondContact O-N 3.1Å; E1122-Q1124 PolarHBondContact O-N 3.13Å; Q1124-N1127 PolarHBondContact O-N 2.95Å; Q1124-L1128 WeakPolarHBondContact O-CB 3.48Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.47Å; Q1124-L1128 PolarHBondContact O-N 2.99Å
1125N97.6Very high97.8Very high103 Ų103100.3 Ų100.355%0.55151%0.509SS*.Hα-helixtrans-66.4-39178.2-168.35.3000111.8L1121 E1122 L1128 S1129L1121-N1125 VanDerWaalsContact O-CB 3.23Å; L1121-N1125 WeakPolarHBondContact O-CB 3.29Å; L1121-N1125 PolarHBondContact O-N 2.84Å; E1122-N1125 PolarHBondContact O-N 3.07Å; N1125-L1128 PolarHBondContact O-N 3.43Å; N1125-S1129 WeakPolarHBondContact O-CB 3.47Å; N1125-S1129 PolarHBondContact O-N 3.01Å; N1125-S1129 PolarHBondContact O-OG 3.25Å
1126Y98.1Very high97.9Very high151 Ų15199 Ų9959%0.59251%0.512SS*.Hα-helixtrans-60.2-48.5172.2178.4-97.8000111.9E1122 L1128 S1129 L1130E1122-Y1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Y1126 PolarHBondContact O-N 3.01Å; Y1126-L1128 PolarHBondContact O-N 3.42Å; Y1126-S1129 WeakPolarHBondContact O-CB 3.48Å; Y1126-S1129 PolarHBondContact O-N 3.2Å; Y1126-L1130 PolarHBondContact O-N 3.19Å
1127N98.2Very high97.9Very high96 Ų96102.6 Ų102.651%0.51352%0.523SS..Hα-helixtrans-61.9-43.3176.5-78.8-74000112.1A1123 Q1124 S1129 L1130 T1131A1123-N1127 PolarHBondContact O-N 2.92Å; A1123-N1127 VanDerWaalsContact O-N 3.09Å; A1123-N1127 PolarHBondContact O-ND2 3.4Å; Q1124-N1127 PolarHBondContact O-N 2.95Å; N1127-S1129 VanDerWaalsContact C-N 3.34Å; N1127-S1129 PolarHBondContact O-N 3.43Å; N1127-L1130 PolarHBondContact O-N 2.9Å; N1127-T1131 WeakPolarHBondContact O-CG2 3.46Å; N1127-T1131 PolarHBondContact O-N 2.96Å; N1127-T1131 PolarHBondContact O-OG1 2.9Å
1128L98.1Very high98Very high114 Ų114101.7 Ų101.760%0.59752%0.523SS*.Hα-helixtrans-62.2-41.7175.7-73.5170000111.8Q1124 N1125 Y1126 T1131 A1132Q1124-L1128 WeakPolarHBondContact O-CB 3.48Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.47Å; Q1124-L1128 PolarHBondContact O-N 2.99Å; N1125-L1128 PolarHBondContact O-N 3.43Å; Y1126-L1128 PolarHBondContact O-N 3.42Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.47Å; L1128-T1131 PolarHBondContact O-N 2.87Å; L1128-T1131 PolarHBondContact O-OG1 3.15Å; L1128-A1132 WeakPolarHBondContact O-CB 3.48Å; L1128-A1132 PolarHBondContact O-N 2.98Å
1129S97.7Very high98Very high54 Ų54103.9 Ų103.938%0.37853%0.529SS..Hα-helixtrans-60.7-46.2176-59.70000111.4N1125 Y1126 N1127 T1131 A1132 E1133N1125-S1129 WeakPolarHBondContact O-CB 3.47Å; N1125-S1129 PolarHBondContact O-N 3.01Å; N1125-S1129 PolarHBondContact O-OG 3.25Å; Y1126-S1129 WeakPolarHBondContact O-CB 3.48Å; Y1126-S1129 PolarHBondContact O-N 3.2Å; N1127-S1129 VanDerWaalsContact C-N 3.34Å; N1127-S1129 PolarHBondContact O-N 3.43Å; S1129-T1131 PolarHBondContact O-N 3.45Å; S1129-A1132 WeakPolarHBondContact O-CB 3.35Å; S1129-A1132 PolarHBondContact O-N 3.4Å; S1129-A1132 VanDerWaalsContact O-N 3.11Å; S1129-E1133 PolarHBondContact O-N 3.42Å
1130L98.3Very high98Very high86 Ų8697.5 Ų97.545%0.4552%0.517SS..Hα-helixtrans-59.6-42.9175.3-176.565.4000112Y1126 N1127 A1132 E1133 Q1134Y1126-L1130 PolarHBondContact O-N 3.19Å; N1127-L1130 PolarHBondContact O-N 2.9Å; L1130-A1132 VanDerWaalsContact C-N 3.33Å; L1130-A1132 PolarHBondContact O-N 3.44Å; L1130-E1133 PolarHBondContact O-N 2.94Å; L1130-Q1134 PolarHBondContact O-N 2.87Å
1131T98.2Very high98Very high67 Ų6795.7 Ų95.741%0.41151%0.514SS..Hα-helixtrans-66.5-34.3174.960.90000112.7N1127 L1128 S1129 Q1134 L1135N1127-T1131 WeakPolarHBondContact O-CG2 3.46Å; N1127-T1131 PolarHBondContact O-N 2.96Å; N1127-T1131 PolarHBondContact O-OG1 2.9Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.47Å; L1128-T1131 PolarHBondContact O-N 2.87Å; L1128-T1131 PolarHBondContact O-OG1 3.15Å; S1129-T1131 PolarHBondContact O-N 3.45Å; T1131-Q1134 PolarHBondContact O-N 3.49Å; T1131-L1135 WeakPolarHBondContact O-CB 3.46Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.42Å; T1131-L1135 PolarHBondContact O-N 3.41Å
1132A97.9Very high98.1Very high57 Ų5795.5 Ų95.547%0.47151%0.514SS..Hα-helixtrans-68.7-37.2175.800000112L1128 S1129 L1130 L1135 S1136L1128-A1132 WeakPolarHBondContact O-CB 3.48Å; L1128-A1132 PolarHBondContact O-N 2.98Å; S1129-A1132 WeakPolarHBondContact O-CB 3.35Å; S1129-A1132 PolarHBondContact O-N 3.4Å; S1129-A1132 VanDerWaalsContact O-N 3.11Å; L1130-A1132 VanDerWaalsContact C-N 3.33Å; L1130-A1132 PolarHBondContact O-N 3.44Å; A1132-L1135 PolarHBondContact O-N 2.9Å; A1132-S1136 VanDerWaalsContact O-CB 3.29Å; A1132-S1136 WeakPolarHBondContact O-CB 3.48Å; A1132-S1136 PolarHBondContact O-N 2.99Å
1133E98Very high98.1Very high135 Ų13593.8 Ų93.863%0.63151%0.506SS*.Hα-helixtrans-64.9-42.8171.8-71.7-177.5174.300111.8S1129 L1130 S1136 H1137S1129-E1133 PolarHBondContact O-N 3.42Å; L1130-E1133 PolarHBondContact O-N 2.94Å; E1133-S1136 WeakPolarHBondContact O-CB 3.44Å; E1133-S1136 PolarHBondContact O-N 3.39Å; E1133-H1137 PolarHBondContact O-N 2.88Å
1134Q98.3Very high98.1Very high131 Ų13195 Ų9561%0.61251%0.512SS*.Hα-helixtrans-65.7-38.1176.5-167.3174.913.300112.6L1130 T1131 H1137 T1138L1130-Q1134 PolarHBondContact O-N 2.87Å; T1131-Q1134 PolarHBondContact O-N 3.49Å; Q1134-H1137 PolarHBondContact O-N 3.46Å; Q1134-T1138 PolarHBondContact O-N 3.01Å; Q1134-T1138 PolarHBondContact O-OG1 3.5Å
1135L98.3Very high98.1Very high119 Ų11995.7 Ų95.762%0.62352%0.516SS*.Hα-helixtrans-68.4-35.3172.2-72.3171.4000112T1131 A1132 T1138 M1139T1131-L1135 WeakPolarHBondContact O-CB 3.46Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.42Å; T1131-L1135 PolarHBondContact O-N 3.41Å; A1132-L1135 PolarHBondContact O-N 2.9Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; L1135-T1138 PolarHBondContact O-OG1 3.43Å; L1135-M1139 WeakPolarHBondContact O-CB 3.34Å; L1135-M1139 PolarHBondContact O-N 2.95Å
1136S98.1Very high98.1Very high87 Ų8798.5 Ų98.561%0.60852%0.518SS*.Hα-helixtrans-64.8-42.9173.3-172.20000111.5A1132 E1133 M1139 G1140A1132-S1136 VanDerWaalsContact O-CB 3.29Å; A1132-S1136 WeakPolarHBondContact O-CB 3.48Å; A1132-S1136 PolarHBondContact O-N 2.99Å; E1133-S1136 WeakPolarHBondContact O-CB 3.44Å; E1133-S1136 PolarHBondContact O-N 3.39Å; S1136-M1139 PolarHBondContact O-N 2.91Å; S1136-G1140 PolarHBondContact O-N 3.05Å
1137H98.2Very high98.1Very high124 Ų12497.6 Ų97.657%0.57452%0.52SS*.Hα-helixtrans-62.8-52.6177-170.168.8000112E1133 Q1134 M1139 G1140 E1141E1133-H1137 PolarHBondContact O-N 2.88Å; Q1134-H1137 PolarHBondContact O-N 3.46Å; H1137-M1139 VanDerWaalsContact C-N 3.32Å; H1137-M1139 PolarHBondContact O-N 3.27Å; H1137-G1140 WeakPolarHBondContact O-CA 3.38Å; H1137-G1140 PolarHBondContact O-N 3.45Å; H1137-E1141 PolarHBondContact O-N 3.09Å
1138T98.3Very high98.1Very high64 Ų6499.2 Ų99.239%0.39352%0.522SS..Hα-helixtrans-65.1-32.8179.250.10000112.7Q1134 L1135 E1141 L1142Q1134-T1138 PolarHBondContact O-N 3.01Å; Q1134-T1138 PolarHBondContact O-OG1 3.5Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; L1135-T1138 PolarHBondContact O-OG1 3.43Å; T1138-E1141 PolarHBondContact O-N 3.42Å; T1138-L1142 WeakPolarHBondContact O-CB 3.46Å; T1138-L1142 PolarHBondContact O-N 3.42Å
1139M97.9Very high98.2Very high108 Ų10899.2 Ų99.253%0.53252%0.522SS..Hα-helixtrans-63.5-40.7168.7-177.261.764.900111.8L1135 S1136 H1137 L1142 M1143L1135-M1139 WeakPolarHBondContact O-CB 3.34Å; L1135-M1139 PolarHBondContact O-N 2.95Å; S1136-M1139 PolarHBondContact O-N 2.91Å; H1137-M1139 VanDerWaalsContact C-N 3.32Å; H1137-M1139 PolarHBondContact O-N 3.27Å; M1139-L1142 PolarHBondContact O-N 3.1Å; M1139-M1143 HydrophobicContact CG-CG 4.42Å; M1139-M1143 VanDerWaalsContact O-CB 3.31Å; M1139-M1143 WeakPolarHBondContact O-CB 3.36Å; M1139-M1143 WeakPolarHBondContact O-CG 3.44Å; M1139-M1143 PolarHBondContact O-N 3.12Å; M1139-M1143 HydrophobicContact SD-CG 4.24Å
1140G98.3Very high98.2Very high41 Ų4199.1 Ų99.142%0.42353%0.525SS..Hα-helixtrans-61.1-44.3173.700000112.9S1136 H1137 M1143 S1144S1136-G1140 PolarHBondContact O-N 3.05Å; H1137-G1140 WeakPolarHBondContact O-CA 3.38Å; H1137-G1140 PolarHBondContact O-N 3.45Å; G1140-M1143 PolarHBondContact O-N 3.4Å; G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 3.15Å
1141E98.2Very high98.2Very high95 Ų9599 Ų9944%0.44453%0.527SS..Hα-helixtrans-61-48.7173.8-65.4-175.4118.700111.8H1137 T1138 M1143 S1144 Q1145H1137-E1141 PolarHBondContact O-N 3.09Å; T1138-E1141 PolarHBondContact O-N 3.42Å; E1141-M1143 VanDerWaalsContact C-N 3.32Å; E1141-M1143 PolarHBondContact O-N 2.89Å; E1141-S1144 WeakPolarHBondContact O-CB 3.37Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1141-S1144 VanDerWaalsContact O-N 3.15Å; E1141-Q1145 WeakPolarHBondContact O-CG 3.27Å; E1141-Q1145 PolarHBondContact O-N 3.48Å
1142L98.5Very high98.2Very high102 Ų10299.5 Ų99.553%0.53453%0.525SS..Hα-helixtrans-61.8-39.5179-177.163.7000111.9T1138 M1139 Q1145 R1146T1138-L1142 WeakPolarHBondContact O-CB 3.46Å; T1138-L1142 PolarHBondContact O-N 3.42Å; M1139-L1142 PolarHBondContact O-N 3.1Å; L1142-Q1145 PolarHBondContact O-N 3.28Å; L1142-R1146 WeakPolarHBondContact O-CB 3.37Å; L1142-R1146 PolarHBondContact O-N 2.98Å
1143M98.2Very high98.2Very high83 Ų83104.7 Ų104.741%0.40953%0.532SS..Hα-helixtrans-66.8-36.6175.5-73.3-76.8-79.900112.2M1139 G1140 E1141 R1146 Q1147M1139-M1143 HydrophobicContact CG-CG 4.42Å; M1139-M1143 VanDerWaalsContact O-CB 3.31Å; M1139-M1143 WeakPolarHBondContact O-CB 3.36Å; M1139-M1143 WeakPolarHBondContact O-CG 3.44Å; M1139-M1143 PolarHBondContact O-N 3.12Å; M1139-M1143 HydrophobicContact SD-CG 4.24Å; G1140-M1143 PolarHBondContact O-N 3.4Å; E1141-M1143 VanDerWaalsContact C-N 3.32Å; E1141-M1143 PolarHBondContact O-N 2.89Å; M1143-R1146 PolarHBondContact O-N 2.83Å; M1143-R1146 PolarHBondContact SD-NH1 2.88Å; M1143-Q1147 PolarHBondContact O-N 2.95Å
1144S98.1Very high98.2Very high77 Ų77104.6 Ų104.654%0.53853%0.532SS..Hα-helixtrans-65.5-46172.3-175.20000111.8G1140 E1141 R1146 Q1147 K1148G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 3.15Å; E1141-S1144 WeakPolarHBondContact O-CB 3.37Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1141-S1144 VanDerWaalsContact O-N 3.15Å; S1144-R1146 PolarHBondContact O-N 3.17Å; S1144-Q1147 PolarHBondContact O-N 3.16Å; S1144-K1148 PolarHBondContact O-N 3.1Å
1145Q98.1Very high98.1Very high116 Ų116104.3 Ų104.354%0.54253%0.529SS..Hα-helixtrans-59.8-44.2173.9-68.917821.400111.6E1141 L1142 Q1147 K1148 L1149E1141-Q1145 WeakPolarHBondContact O-CG 3.27Å; E1141-Q1145 PolarHBondContact O-N 3.48Å; L1142-Q1145 PolarHBondContact O-N 3.28Å; Q1145-Q1147 VanDerWaalsContact C-N 3.33Å; Q1145-Q1147 PolarHBondContact O-N 2.83Å; Q1145-K1148 WeakPolarHBondContact O-CB 3.45Å; Q1145-K1148 PolarHBondContact O-N 2.97Å; Q1145-L1149 WeakPolarHBondContact O-CG 3.25Å; Q1145-L1149 PolarHBondContact O-N 2.98Å
1146R98Very high98.1Very high161 Ų161103.4 Ų103.461%0.60852%0.524SS*.Hα-helixtrans-60.4-40.7175.3-169.5-166.872.3172.84112L1142 M1143 S1144 A1150L1142-R1146 WeakPolarHBondContact O-CB 3.37Å; L1142-R1146 PolarHBondContact O-N 2.98Å; M1143-R1146 PolarHBondContact O-N 2.83Å; M1143-R1146 PolarHBondContact SD-NH1 2.88Å; S1144-R1146 PolarHBondContact O-N 3.17Å; R1146-A1150 WeakPolarHBondContact O-CB 3.43Å; R1146-A1150 PolarHBondContact O-N 3.16Å
1147Q98.1Very high98.1Very high133 Ų133103.4 Ų103.462%0.62151%0.514SS*.Hα-helixtrans-65.7-42.3175-176.2175.1-3.300111.6M1143 S1144 Q1145 A1150 V1151M1143-Q1147 PolarHBondContact O-N 2.95Å; S1144-Q1147 PolarHBondContact O-N 3.16Å; Q1145-Q1147 VanDerWaalsContact C-N 3.33Å; Q1145-Q1147 PolarHBondContact O-N 2.83Å; Q1147-A1150 WeakPolarHBondContact O-CB 3.28Å; Q1147-A1150 PolarHBondContact O-N 3.36Å; Q1147-V1151 WeakPolarHBondContact O-CG2 3.46Å; Q1147-V1151 PolarHBondContact O-N 2.83Å
1148K98.3Very high98Very high130 Ų130100.2 Ų100.257%0.56551%0.509SS*.Hα-helixtrans-59.6-47175.7-173.9175-179.4-74.20111.7S1144 Q1145 A1150 V1151 E1152S1144-K1148 PolarHBondContact O-N 3.1Å; Q1145-K1148 WeakPolarHBondContact O-CB 3.45Å; Q1145-K1148 PolarHBondContact O-N 2.97Å; K1148-A1150 VanDerWaalsContact C-N 3.31Å; K1148-A1150 PolarHBondContact O-N 2.9Å; K1148-V1151 PolarHBondContact O-N 3.41Å; K1148-E1152 WeakPolarHBondContact CE-OE1 3.19Å; K1148-E1152 IonicContact NZ-OE1 2.62Å; K1148-E1152 PolarHBondContact NZ-OE1 3.25Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.43Å
1149L98.3Very high97.9Very high114 Ų114100.7 Ų100.760%0.59751%0.507SS*.Hα-helixtrans-63.5-34.3175.5-69.9172.1000112.7Q1145 R1153Q1145-L1149 WeakPolarHBondContact O-CG 3.25Å; Q1145-L1149 PolarHBondContact O-N 2.98Å; L1149-R1153 VanDerWaalsContact O-CB 3.31Å; L1149-R1153 WeakPolarHBondContact O-CB 3.45Å; L1149-R1153 PolarHBondContact O-N 2.94Å
1150A97.9Very high97.8Very high52 Ų52100.3 Ų100.343%0.4351%0.507SS..Hα-helixtrans-65.9-42174.400000112.2R1146 Q1147 K1148 R1153 E1154R1146-A1150 WeakPolarHBondContact O-CB 3.43Å; R1146-A1150 PolarHBondContact O-N 3.16Å; Q1147-A1150 WeakPolarHBondContact O-CB 3.28Å; Q1147-A1150 PolarHBondContact O-N 3.36Å; K1148-A1150 VanDerWaalsContact C-N 3.31Å; K1148-A1150 PolarHBondContact O-N 2.9Å; A1150-R1153 PolarHBondContact O-N 3.37Å; A1150-E1154 WeakPolarHBondContact O-CB 3.25Å; A1150-E1154 PolarHBondContact O-N 3.49Å
1151V98.3Very high97.7Very high83 Ų83101.6 Ų101.650%0.50350%0.502SS..Hα-helixtrans-68.3-38.9175.4173.20000111.6Q1147 K1148 E1154 K1155Q1147-V1151 WeakPolarHBondContact O-CG2 3.46Å; Q1147-V1151 PolarHBondContact O-N 2.83Å; K1148-V1151 PolarHBondContact O-N 3.41Å; V1151-E1154 PolarHBondContact O-N 3.46Å; V1151-K1155 WeakPolarHBondContact O-CB 3.49Å; V1151-K1155 PolarHBondContact O-N 3.48Å
1152E98Very high97.5Very high78 Ų78102.4 Ų102.436%0.36451%0.505SS..Hα-helixtrans-64.1-40.4173.8-74.6171.1-176.700111.6K1148 K1155 L1156K1148-E1152 WeakPolarHBondContact CE-OE1 3.19Å; K1148-E1152 IonicContact NZ-OE1 2.62Å; K1148-E1152 PolarHBondContact NZ-OE1 3.25Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.43Å; E1152-K1155 PolarHBondContact O-N 3.36Å; E1152-L1156 WeakPolarHBondContact O-CG 3.25Å; E1152-L1156 PolarHBondContact O-N 3.14Å
1153R98.1Very high97.3Very high166 Ų166103.3 Ų103.363%0.62651%0.505SS*.Hα-helixtrans-63.4-42.6172176.4-179.2169.9-78.8-5.3112.3L1149 A1150 L1156 Q1157L1149-R1153 VanDerWaalsContact O-CB 3.31Å; L1149-R1153 WeakPolarHBondContact O-CB 3.45Å; L1149-R1153 PolarHBondContact O-N 2.94Å; A1150-R1153 PolarHBondContact O-N 3.37Å; R1153-L1156 PolarHBondContact O-N 2.87Å; R1153-Q1157 WeakPolarHBondContact O-CB 3.44Å; R1153-Q1157 PolarHBondContact O-N 3.25Å
1154E97.9Very high97.1Very high133 Ų133107.1 Ų107.162%0.62152%0.515SS*.Hα-helixtrans-63.2-44.3176.9-174.8177.6-177.200111.3A1150 V1151 Q1157 A1158A1150-E1154 WeakPolarHBondContact O-CB 3.25Å; A1150-E1154 PolarHBondContact O-N 3.49Å; V1151-E1154 PolarHBondContact O-N 3.46Å; E1154-Q1157 PolarHBondContact O-N 2.85Å; E1154-A1158 WeakPolarHBondContact O-CB 3.32Å; E1154-A1158 PolarHBondContact O-N 2.89Å
1155K98.1Very high96.8Very high125 Ų125109.9 Ų109.954%0.54352%0.517SS..Hα-helixtrans-58.4-48.3173.9179.5176.6179.7-68.20112V1151 E1152 Q1157 A1158 E1159V1151-K1155 WeakPolarHBondContact O-CB 3.49Å; V1151-K1155 PolarHBondContact O-N 3.48Å; E1152-K1155 PolarHBondContact O-N 3.36Å; K1155-Q1157 VanDerWaalsContact C-N 3.31Å; K1155-Q1157 PolarHBondContact O-N 3.44Å; K1155-A1158 PolarHBondContact O-N 3.43Å; K1155-E1159 WeakPolarHBondContact CE-OE1 3.31Å; K1155-E1159 IonicContact NZ-OE1 2.61Å; K1155-E1159 PolarHBondContact NZ-OE1 2.9Å; K1155-E1159 WeakPolarHBondContact O-CG 3.47Å; K1155-E1159 PolarHBondContact O-N 2.98Å
1156L97.8Very high96.3Very high100 Ų100108.3 Ų108.352%0.52452%0.518SS..Hα-helixtrans-63.6-35.9176.4-72169.9000112.2E1152 R1153 E1159 L1160E1152-L1156 WeakPolarHBondContact O-CG 3.25Å; E1152-L1156 PolarHBondContact O-N 3.14Å; R1153-L1156 PolarHBondContact O-N 2.87Å; L1156-E1159 PolarHBondContact O-N 2.93Å; L1156-L1160 WeakPolarHBondContact O-CB 3.43Å; L1156-L1160 VanDerWaalsContact O-CG 3.32Å; L1156-L1160 WeakPolarHBondContact O-CG 3.49Å; L1156-L1160 PolarHBondContact O-N 3.46Å
1157Q97.2Very high95.8Very high86 Ų86107.3 Ų107.340%0.40252%0.524SS..Hα-helixtrans-67.5-42.1173.9-174.6177.2-37.700111.6R1153 E1154 K1155 E1159 L1160 E1161R1153-Q1157 WeakPolarHBondContact O-CB 3.44Å; R1153-Q1157 PolarHBondContact O-N 3.25Å; E1154-Q1157 PolarHBondContact O-N 2.85Å; K1155-Q1157 VanDerWaalsContact C-N 3.31Å; K1155-Q1157 PolarHBondContact O-N 3.44Å; Q1157-E1159 VanDerWaalsContact C-N 3.32Å; Q1157-E1159 PolarHBondContact O-N 3.2Å; Q1157-L1160 PolarHBondContact O-N 3.31Å; Q1157-E1161 PolarHBondContact NE2-OE1 3.22Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.44Å; Q1157-E1161 WeakPolarHBondContact O-CG 3.33Å; Q1157-E1161 PolarHBondContact O-N 2.9Å
1158A96.9Very high94.5Very high58 Ų58105.7 Ų105.748%0.47952%0.523SS..Hα-helixtrans-63.3-37.4175.500000112.2E1154 K1155 E1161 H1162E1154-A1158 WeakPolarHBondContact O-CB 3.32Å; E1154-A1158 PolarHBondContact O-N 2.89Å; K1155-A1158 PolarHBondContact O-N 3.43Å; A1158-E1161 PolarHBondContact O-N 2.94Å; A1158-H1162 WeakPolarHBondContact O-CB 3.44Å; A1158-H1162 PolarHBondContact O-N 3.06Å
1159E96.3Very high92.5Very high73 Ų73107 Ų10734%0.34154%0.536SS..Hα-helixtrans-64.1-46.6171.5-75169.2-164.400111.6K1155 L1156 Q1157 E1161 H1162 F1163K1155-E1159 WeakPolarHBondContact CE-OE1 3.31Å; K1155-E1159 IonicContact NZ-OE1 2.61Å; K1155-E1159 PolarHBondContact NZ-OE1 2.9Å; K1155-E1159 WeakPolarHBondContact O-CG 3.47Å; K1155-E1159 PolarHBondContact O-N 2.98Å; L1156-E1159 PolarHBondContact O-N 2.93Å; Q1157-E1159 VanDerWaalsContact C-N 3.32Å; Q1157-E1159 PolarHBondContact O-N 3.2Å; E1159-E1161 VanDerWaalsContact C-N 3.32Å; E1159-E1161 PolarHBondContact O-N 3.21Å; E1159-H1162 WeakPolarHBondContact O-CB 3.49Å; E1159-H1162 PolarHBondContact O-N 3.11Å; E1159-H1162 VanDerWaalsContact O-N 3.14Å; E1159-F1163 HydrophobicContact CB-CE2 4.42Å; E1159-F1163 WeakPolarHBondContact O-CD2 3.41Å; E1159-F1163 PolarHBondContact O-N 2.84Å
1160L96.3Very high90.6Very high100 Ų100106.6 Ų106.652%0.52454%0.54SS..Hα-helixtrans-61.7-37.2174.3-73.5170.9000112.7L1156 Q1157 F1163 R1164L1156-L1160 WeakPolarHBondContact O-CB 3.43Å; L1156-L1160 VanDerWaalsContact O-CG 3.32Å; L1156-L1160 WeakPolarHBondContact O-CG 3.49Å; L1156-L1160 PolarHBondContact O-N 3.46Å; Q1157-L1160 PolarHBondContact O-N 3.31Å; L1160-F1163 PolarHBondContact O-N 2.92Å; L1160-R1164 WeakPolarHBondContact O-CB 3.42Å; L1160-R1164 VanDerWaalsContact O-CG 3.25Å; L1160-R1164 WeakPolarHBondContact O-CG 3.48Å; L1160-R1164 PolarHBondContact O-N 2.88Å
1161E95Very high88.3Confident68 Ų68113 Ų11332%0.31856%0.561SS.*Hα-helixtrans-69.8-33.5173.5-75.8-178.2-150.200112.7Q1157 A1158 E1159 K1165Q1157-E1161 PolarHBondContact NE2-OE1 3.22Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.44Å; Q1157-E1161 WeakPolarHBondContact O-CG 3.33Å; Q1157-E1161 PolarHBondContact O-N 2.9Å; A1158-E1161 PolarHBondContact O-N 2.94Å; E1159-E1161 VanDerWaalsContact C-N 3.32Å; E1159-E1161 PolarHBondContact O-N 3.21Å; E1161-K1165 WeakPolarHBondContact O-CB 3.49Å; E1161-K1165 VanDerWaalsContact O-CD 3.25Å; E1161-K1165 WeakPolarHBondContact O-CD 3.42Å; E1161-K1165 WeakPolarHBondContact O-CG 3.35Å; E1161-K1165 PolarHBondContact O-N 2.61Å; E1161-K1165 IonicContact OE2-NZ 3.6Å
1162H94.7Very high85.8Confident112 Ų112113.7 Ų113.752%0.51957%0.566SS.*Hα-helixtrans-65.7-47.7170.7178.268.8000111.1A1158 E1159 R1164 K1165 C1166A1158-H1162 WeakPolarHBondContact O-CB 3.44Å; A1158-H1162 PolarHBondContact O-N 3.06Å; E1159-H1162 WeakPolarHBondContact O-CB 3.49Å; E1159-H1162 PolarHBondContact O-N 3.11Å; E1159-H1162 VanDerWaalsContact O-N 3.14Å; H1162-R1164 VanDerWaalsContact C-N 3.31Å; H1162-R1164 PolarHBondContact O-N 2.94Å; H1162-K1165 PolarHBondContact O-N 2.62Å; H1162-K1165 VanDerWaalsContact O-N 3.1Å; H1162-C1166 VanDerWaalsContact CE1-SG 3.57Å; H1162-C1166 PolarHBondContact O-N 2.87Å; H1162-C1166 PolarHBondContact O-SG 2.85Å; H1162-C1166 VanDerWaalsContact O-SG 3.36Å
1163F94.6Very high83.3Confident122 Ų122118.3 Ų118.354%0.53559%0.587SS.*Hα-helixtrans-58.9-41.2174-70.8-59.2000112E1159 L1160 C1166 L1167E1159-F1163 HydrophobicContact CB-CE2 4.42Å; E1159-F1163 WeakPolarHBondContact O-CD2 3.41Å; E1159-F1163 PolarHBondContact O-N 2.84Å; L1160-F1163 PolarHBondContact O-N 2.92Å; F1163-C1166 PolarHBondContact O-N 3.42Å; F1163-L1167 WeakPolarHBondContact O-CB 3.27Å; F1163-L1167 VanDerWaalsContact O-CG 3.27Å; F1163-L1167 WeakPolarHBondContact O-CG 3.07Å; F1163-L1167 PolarHBondContact O-N 3.37Å
1164R93.3Very high80.8Confident163 Ų163120.5 Ų120.562%0.61560%0.595SS**Hα-helixtrans-58.4-47172.2-75.4167.3178.1173.5-0.9112L1160 H1162 C1166 L1167 T1168L1160-R1164 WeakPolarHBondContact O-CB 3.42Å; L1160-R1164 VanDerWaalsContact O-CG 3.25Å; L1160-R1164 WeakPolarHBondContact O-CG 3.48Å; L1160-R1164 PolarHBondContact O-N 2.88Å; H1162-R1164 VanDerWaalsContact C-N 3.31Å; H1162-R1164 PolarHBondContact O-N 2.94Å; R1164-C1166 VanDerWaalsContact C-N 3.27Å; R1164-C1166 PolarHBondContact O-N 3.24Å; R1164-L1167 CarbonylContact O-C 3.59Å; R1164-L1167 PolarHBondContact O-N 2.86Å; R1164-L1167 VanDerWaalsContact O-N 3.16Å; R1164-T1168 WeakPolarHBondContact O-CG2 3.48Å; R1164-T1168 PolarHBondContact O-N 3.02Å; R1164-T1168 PolarHBondContact O-OG1 3.24Å
1165K91.1Very high78.4Confident134 Ų134119.7 Ų119.758%0.58360%0.601SS**Hα-helixtrans-62.6-31.3177.4-70.6156.9-168.5158.90112.8E1161 H1162 T1168E1161-K1165 WeakPolarHBondContact O-CB 3.49Å; E1161-K1165 VanDerWaalsContact O-CD 3.25Å; E1161-K1165 WeakPolarHBondContact O-CD 3.42Å; E1161-K1165 WeakPolarHBondContact O-CG 3.35Å; E1161-K1165 PolarHBondContact O-N 2.61Å; E1161-K1165 IonicContact OE2-NZ 3.6Å; H1162-K1165 PolarHBondContact O-N 2.62Å; H1162-K1165 VanDerWaalsContact O-N 3.1Å; K1165-T1168 WeakPolarHBondContact CA-OG1 3.49Å; K1165-T1168 PolarHBondContact O-OG1 3.31Å
1166C88.6Confident76.1Confident84 Ų84125.9 Ų125.957%0.56862%0.622SS**Hα-helixtrans-80.5-26.8174.8-66.10000113.5H1162 F1163 R1164H1162-C1166 VanDerWaalsContact CE1-SG 3.57Å; H1162-C1166 PolarHBondContact O-N 2.87Å; H1162-C1166 PolarHBondContact O-SG 2.85Å; H1162-C1166 VanDerWaalsContact O-SG 3.36Å; F1163-C1166 PolarHBondContact O-N 3.42Å; R1164-C1166 VanDerWaalsContact C-N 3.27Å; R1164-C1166 PolarHBondContact O-N 3.24Å
1167L86.4Confident73.9Confident140 Ų140124.6 Ų124.673%0.73363%0.632SS**Hα-helixtrans-91-17.9177.8-69.7170.8000113.4F1163 R1164 L1169F1163-L1167 WeakPolarHBondContact O-CB 3.27Å; F1163-L1167 VanDerWaalsContact O-CG 3.27Å; F1163-L1167 WeakPolarHBondContact O-CG 3.07Å; F1163-L1167 PolarHBondContact O-N 3.37Å; R1164-L1167 CarbonylContact O-C 3.59Å; R1164-L1167 PolarHBondContact O-N 2.86Å; R1164-L1167 VanDerWaalsContact O-N 3.16Å; L1167-L1169 VanDerWaalsContact C-N 3.27Å; L1167-L1169 PolarHBondContact O-N 3.44Å
1168T71.9Confident71.2Confident98 Ų98125.9 Ų125.960%0.60165%0.651SS**SBendtrans-68.488166.444.80000109.7R1164 K1165R1164-T1168 WeakPolarHBondContact O-CG2 3.48Å; R1164-T1168 PolarHBondContact O-N 3.02Å; R1164-T1168 PolarHBondContact O-OG1 3.24Å; K1165-T1168 WeakPolarHBondContact CA-OG1 3.49Å; K1165-T1168 PolarHBondContact O-OG1 3.31Å
1169L56.4Low69Low157 Ų157131.8 Ų131.882%0.82267%0.668SS**  trans-44.9131.5162.8-77.2162.9000109.1L1167 Q1171L1167-L1169 VanDerWaalsContact C-N 3.27Å; L1167-L1169 PolarHBondContact O-N 3.44Å; L1169-Q1171 PolarHBondContact O-N 3.48Å
1170P58.2Low66.4Low107 Ų107139.5 Ų139.570%0.69570%0.696SS**  trans-58.1126.6176.325.1-33.3000108.3T1172P1170-T1172 PolarHBondContact O-N 3.41Å
1171Q48.9Very low64.2Low187 Ų187144.3 Ų144.387%0.87471%0.713SS**  trans-60.3103.1-172.3-171.3171.55.500109.4L1169 H1173L1169-Q1171 PolarHBondContact O-N 3.48Å; Q1171-H1173 PolarHBondContact O-N 3.45Å; Q1171-H1173 PolarHBondContact O-ND1 3.43Å
1172T47Very low61.5Low96 Ų96144.4 Ų144.459%0.58973%0.732SS**  trans-67.9106.3-177.634.20000107.8P1170 W1174P1170-T1172 PolarHBondContact O-N 3.41Å; T1172-W1174 PolarHBondContact O-N 3.48Å; T1172-W1174 PolarHBondContact OG1-NE1 3.21Å; T1172-W1174 VanDerWaalsContact OG1-NE1 3.15Å
1173H45.7Very low59Low175 Ų175149.7 Ų149.781%0.8175%0.749SS**  trans-7568.417740.3-88.6000108.8Q1171 P1175Q1171-H1173 PolarHBondContact O-N 3.45Å; Q1171-H1173 PolarHBondContact O-ND1 3.43Å; H1173-P1175 VanDerWaalsContact O-CD 3.28Å; H1173-P1175 WeakPolarHBondContact O-CD 3.27Å; H1173-P1175 VanDerWaalsContact O-N 3.09Å
1174W44.3Very low56.7Low212 Ų212149.3 Ų149.380%0.80376%0.758SS**  trans-53.2114.3172-71.394.3000108.7T1172 R1176T1172-W1174 PolarHBondContact O-N 3.48Å; T1172-W1174 PolarHBondContact OG1-NE1 3.21Å; T1172-W1174 VanDerWaalsContact OG1-NE1 3.15Å; W1174-R1176 PolarHBondContact O-N 3.17Å; W1174-R1176 VanDerWaalsContact O-N 3.07Å
1175P47.8Very low55.2Low116 Ų116147.5 Ų147.575%0.75377%0.768SS**  trans-66.2115.5-178.926.1-32.6000108.3H1173 G1177H1173-P1175 VanDerWaalsContact O-CD 3.28Å; H1173-P1175 WeakPolarHBondContact O-CD 3.27Å; H1173-P1175 VanDerWaalsContact O-N 3.09Å; P1175-G1177 VanDerWaalsContact C-N 3.3Å; P1175-G1177 PolarHBondContact O-N 2.9Å
1176R50.6Low53.2Low256 Ų256156.4 Ų156.497%0.96680%0.798SS**SBendtrans-72.780.9-175.1-172.1-168-63.9-121.42.1110.5W1174W1174-R1176 PolarHBondContact O-N 3.17Å; W1174-R1176 VanDerWaalsContact O-N 3.07Å
1177G51.4Low51.4Low73 Ų73160.1 Ų160.175%0.75381%0.809SS**  trans158.487.2171.700000115.6P1175P1175-G1177 VanDerWaalsContact C-N 3.3Å; P1175-G1177 PolarHBondContact O-N 2.9Å
1178S40.9Very low49.6Very low113 Ų113161.1 Ų161.179%0.7981%0.813SS**  trans-154.6147.5141.8-1670000109.7
1179H50.8Low48.3Very low182 Ų182164.6 Ų164.684%0.84383%0.825SS**  trans-85.9129-172.3-50.5-88.6000111
1180Y41.2Very low47.8Very low234 Ų234165.1 Ų165.192%0.91883%0.825SS**  trans-131129.5155.8-106.9-87.4000111
1181K49.5Very low47.2Very low202 Ų202168.7 Ų168.788%0.87883%0.833SS**  trans-109.5106.2-175-173.3179.7-175.9179.90107.6
1182G39Very low47.1Very low70 Ų70167.5 Ų167.572%0.72283%0.831SS**  trans-141.2137.3-177.700000111.2
1183Y41.5Very low47.1Very low222 Ų222172.6 Ų172.687%0.87185%0.848SS**PPolyproline II helixtrans-77.5152.4178.4-77-96.1000111.5
1184P46.5Very low47.2Very low114 Ų114172.4 Ų172.474%0.7485%0.851SS**PPolyproline II helixtrans-71.4138.4171.230.6-34.2000111
1185P61.3Low47.4Very low125 Ų125169.1 Ų169.181%0.81286%0.855SS**PPolyproline II helixtrans-71168.4159.233-33.5000110.7
1186R48.8Very low47.4Very low322 Ų322173.9 Ų173.9100%1.21586%0.864SS**  trans-78.60173.3-70.3-179.7172.2-173.6-3.4112

Retrieved 1,186 of 1,186 residues in 393 ms (Link to these results)