A0A5K4FBP8_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB (A0A5K4FCM1), UniProt , Accession A0A5K4FBP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,470 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low35.5Very low218 Ų218144.8 Ų144.8100%1.07476%0.757SS**  078.30-61173.6-175.400105
2D31.2Very low35.5Very low138 Ų138142.5 Ų142.574%0.73876%0.757SS**  cis76.8149.440.5-39.3-28.6000112.1
3I36.5Very low35.3Very low158 Ų158138.5 Ų138.581%0.8176%0.757SS**  trans7482.1-170.7-45.8170.7000110.9
4D35.6Very low35.2Very low130 Ų130141.4 Ų141.470%0.69576%0.763SS**  cis83.7143.147.8-60.7-62.8000115.1
5N37.6Very low35.4Very low135 Ų135139 Ų13972%0.72276%0.757SS**  trans71.5144.6157.5-72.727.8000118.4
6D38.2Very low35.4Very low119 Ų119139.9 Ų139.964%0.63676%0.761SS**  cis-161.6174.55.7-132.8-31.2000116.7
7I36.4Very low35.2Very low125 Ų125144.8 Ų144.864%0.64177%0.766SS**  trans76.285.5145.9-71.9158.1000119.5
8N33.1Very low35.2Very low117 Ų117143.8 Ų143.863%0.62677%0.769SS**  77.1117.6116.2-69.9-48.7000125.1
9Q33.1Very low35.1Very low166 Ų166141.8 Ų141.878%0.77676%0.763SS**  71.4150.9127.6-59.917548.700118.6
10V33.9Very low35.2Very low132 Ų132143.3 Ų143.380%0.877%0.765SS**  cis-132.2151.3201750000112
11L36.1Very low34.9Very low155 Ų155143 Ų14381%0.81276%0.761SS**  trans-125.4146.1171.9-124.6172.1000109.5
12P36Very low34.5Very low117 Ų117137.6 Ų137.676%0.7674%0.744SS**  -153.4175.1113.137.4-20.1000114
13A32.7Very low34.4Very low91 Ų91136.7 Ų136.775%0.75274%0.744SS**  cis-167.7158.6-30.100000108.4
14E34.4Very low34.2Very low179 Ų179134.6 Ų134.684%0.83674%0.743SS**  trans-93.3164.4172.1-156.9-175.3-121.700111
15P37.1Very low33.9Very low105 Ų105135.3 Ų135.368%0.68275%0.745SS**  -149.1150.8124.536.2-19.4000118.7
16D35.2Very low33.5Very low153 Ų153135.7 Ų135.782%0.81875%0.747SS**  trans80.8136140.1-68.2-28.7000124.9
17R32.8Very low33.1Very low223 Ų223139.2 Ų139.284%0.84276%0.76SS**  trans-104.2170.4165-70.4175.9164.2-177.3-3.2110
18P35.4Very low32.7Very low127 Ų127140.5 Ų140.583%0.82577%0.767SS**  -142155106.431.3-15000117.5
19T32.5Very low32.8Very low106 Ų106139.7 Ų139.765%0.6577%0.769SS**  trans-57.5158.3166.141.30000116.1
20H36.9Very low32.6Very low172 Ų172136.4 Ų136.480%0.79676%0.764SS**  trans172.2161.8133.9-89.4-64.6000110.6
21I29.8Very low32.3Very low136 Ų136134.9 Ų134.970%0.69776%0.759SS**  -163.2170.5-50.2-132177000109.7
22C29.6Very low32Very low105 Ų105134.4 Ų134.471%0.70976%0.757SS**  trans65.4128176.8-690000117.4
23T29.6Very low31.7Very low119 Ų119133.7 Ų133.773%0.7376%0.755SS**  cis90.4112.831.469.30000116.6
24S33Very low31.4Very low115 Ų115134 Ų13480%0.80475%0.752SS**  trans169156.613841.50000110.7
25I28.7Very low31.3Very low144 Ų144134.3 Ų134.374%0.73875%0.75SS**  cis-160157.7-49.5-116158.6000107.4
26L28.5Very low31.1Very low143 Ų143135.8 Ų135.875%0.74976%0.758SS**  trans-18.7138.8177.1-63.473.3000118.4
27Q31.2Very low30.9Very low194 Ų194134.5 Ų134.591%0.90776%0.755SS**  -16814795.3-106.4166-5.100115.1
28N27.6Very low31.2Very low151 Ų151129 Ų12981%0.80775%0.749SS**  trans-121.3172.4171.4-143.22.5000105.1
29P36Very low30.9Very low100 Ų100132 Ų13265%0.64975%0.749SS**  cis-138.2-160.6-2.442.4-22.5000113.9
30S28.3Very low30.9Very low98 Ų98135.7 Ų135.769%0.68576%0.756SS**  trans125.5110.8137.873.20000119
31S27.9Very low30.7Very low100 Ų100133.1 Ų133.170%0.69976%0.755SS**  trans60.5148.5135.659.60000124.2
32N29Very low30.7Very low144 Ų144137.5 Ų137.577%0.7776%0.763SS**  trans84.579.6153.2-62.6-10.9000120.9
33S29Very low30.8Very low102 Ų102138.3 Ų138.371%0.71376%0.764SS**  74.6123.8112.466.70000122.7
34S27.6Very low30.8Very low97 Ų97140.5 Ų140.568%0.67877%0.77SS**  trans69.7110.5147.273.10000120
35K32.3Very low30.7Very low186 Ų186142.3 Ų142.381%0.80977%0.77SS**  -176.6104.4115.4-95.6147.6-169.3162.30113.9
36T31.3Very low30.8Very low136 Ų136140.9 Ų140.983%0.83477%0.773SS**  trans45.796.2136.9-28.10000119.2
37V33.1Very low30.7Very low126 Ų126139.8 Ų139.876%0.76477%0.772SS**PPolyproline II helixtrans-86.9137.6163.1178.10000109.7
38P37.7Very low30.5Very low109 Ų109138.9 Ų138.971%0.70877%0.768SS**PPolyproline II helixtrans-73.2136.2177.629.4-34.8000112.4
39F29.8Very low30.5Very low190 Ų190137.5 Ų137.583%0.83376%0.756SS**PPolyproline II helixtrans-64.2130.7-179-91.4-113.4000113.3
40F31.5Very low30.2Very low182 Ų182139 Ų13980%0.79877%0.767SS**PPolyproline II helixtrans-99.9131.1149.5-84.2-99.3000108.2R42F40-R42 VanDerWaalsContact C-N 3.34Å; F40-R42 PolarHBondContact O-N 2.87Å
41P33.7Very low30.3Very low118 Ų118140.7 Ų140.777%0.76677%0.767SS**  trans-72.589.7169.330.1-32.9000109.7V43P41-V43 PolarHBondContact O-N 2.91Å
42R29.3Very low30.3Very low229 Ų229141.4 Ų141.486%0.86477%0.772SS**  trans-69.9104.1158.8-79-175.9174.9174.2-2107.6F40 L44F40-R42 VanDerWaalsContact C-N 3.34Å; F40-R42 PolarHBondContact O-N 2.87Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.34Å
43V31.8Very low30.3Very low122 Ų122139.8 Ų139.874%0.73977%0.772SS**  trans-72.694.2161.3179.30000107.1P41 L45P41-V43 PolarHBondContact O-N 2.91Å; V43-L45 HydrophobicContact CG1-CB 4.21Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; V43-L45 PolarHBondContact O-N 2.83Å
44L29.4Very low30.2Very low164 Ų164139.4 Ų139.486%0.85976%0.762SS**  trans-69.5117.8153.2-79.5164000106.5R42R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 3.34Å
45L30.2Very low30.4Very low153 Ų153140.7 Ų140.780%0.80176%0.76SS**  trans-134.5131.6161.2-115.5168.8000108.5V43V43-L45 HydrophobicContact CG1-CB 4.21Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; V43-L45 PolarHBondContact O-N 2.83Å
46S30.8Very low30.3Very low114 Ų114139.3 Ų139.380%0.79776%0.761SS**  trans-67.8151-161.2-510000113.5Q48S46-Q48 PolarHBondContact O-N 3.44Å
47V26.4Very low30.2Very low120 Ų120140.2 Ų140.273%0.72776%0.756SS**  trans-48.7129.3164.4176.20000111
48Q27.8Very low30Very low175 Ų175138.1 Ų138.182%0.81874%0.743SS**  trans-148.8101.4132.4-16763.340.400108.9S46S46-Q48 PolarHBondContact O-N 3.44Å
49Q28.3Very low29.6Very low122 Ų122139.3 Ų139.357%0.5774%0.742SS**PPolyproline II helixtrans-77.6153.2165.9-65.9175.4-63.200109.6L51Q49-L51 HydrophobicContact CB-CG 4.29Å
50P29.2Very low29.7Very low133 Ų133137.6 Ų137.686%0.86474%0.74SS**PPolyproline II helixtrans-99.7116.9132.4-13.830.7000109
51L30.6Very low29.5Very low132 Ų132134 Ų13469%0.69173%0.726SS**PPolyproline II helixtrans-83.3159.5168.8-78.7166.3000110.4Q49Q49-L51 HydrophobicContact CB-CG 4.29Å
52S26.7Very low29.5Very low116 Ų116132.2 Ų132.281%0.81171%0.714SS**PPolyproline II helixtrans-78.3124-174.2-42.10000113.8
53S29.1Very low29.5Very low110 Ų110127.6 Ų127.677%0.76971%0.711SS**  trans-160.8133.2152.943.30000108.2
54L28.5Very low29.2Very low94 Ų94125.2 Ų125.249%0.49271%0.705SS.*  cis91.198.843.4-16579.1000112.6Y739L54-Y739 HydrophobicContact CD1-CE2 4Å
55I30.2Very low29.2Very low124 Ų124125.5 Ų125.564%0.63671%0.706SS**  trans48.3106.2149.6-52.4169.3000117.8
56N31.8Very low29.1Very low156 Ų156123.7 Ų123.783%0.83470%0.702SS**  -167.4168.7108.8-113.6-47.2000114.3
57Q28.3Very low29.2Very low156 Ų156125.4 Ų125.473%0.72971%0.708SS**  trans-106.4173.9175.7-60.1178.6-11.600111.8
58T29Very low29.3Very low81 Ų81124 Ų12450%0.49771%0.709SS.*  trans88.791.3144.2-53.20000120.6I198T58-I198 HydrophobicContact CG2-CD1 4.15Å
59I28.2Very low29.6Very low134 Ų134121 Ų12169%0.68771%0.707SS**  trans72.3159.6136.9-48.1171.5000118.9I198I59-I198 HydrophobicContact CD1-CD1 4.39Å
60I32.5Very low29.8Very low154 Ų154122 Ų12279%0.7972%0.721SS**  trans9791165-48.6-176.9000117.3
61Q28.6Very low30Very low107 Ų107119.3 Ų119.350%0.571%0.71SS.*  trans-72.8158136.9-78.3-179.1-4700108.6L101Q61-L101 HydrophobicContact CB-CD1 4.49Å; Q61-L101 HydrophobicContact CB-CD2 4.13Å
62P32.1Very low30.2Very low81 Ų81120.2 Ų120.253%0.52672%0.716SS.*  cis-151.7-163.93838.4-14.3000117.2L101P62-L101 HydrophobicContact CB-CD1 3.56Å; P62-L101 HydrophobicContact CB-CD2 4.13Å
63T29.9Very low30.5Very low131 Ų131120.6 Ų120.680%0.80471%0.713SS**  trans99.2140.7153.9-34.20000117.3
64A26.1Very low30.7Very low72 Ų72120.2 Ų120.260%0.59571%0.708SS**  trans-89.4162.8-173.600000113.3
65L29.6Very low30.9Very low170 Ų170123.7 Ų123.789%0.8973%0.726SS**  trans-113.6116.8171.8-114.8170.3000111.6
66T28.2Very low31.1Very low116 Ų116122.9 Ų122.971%0.71273%0.729SS**  trans-51.5146.4175.4-45.70000113.9A68T66-A68 HydrophobicContact CG2-CB 4.22Å
67T32.1Very low31.3Very low150 Ų150124.1 Ų124.192%0.9273%0.729SS**  trans-135.4141.5145-13.50000107.9
68A28.6Very low31.4Very low90 Ų90122.3 Ų122.374%0.74473%0.728SS**  trans-127.9144.8-155.400000115T66T66-A68 HydrophobicContact CG2-CB 4.22Å
69S33Very low31.4Very low111 Ų111123.6 Ų123.678%0.77674%0.741SS**  trans-157.9109.3154.661.30000112.1
70V34Very low31.4Very low145 Ų145122 Ų12288%0.87974%0.741SS**  31136.3129.2-173.30000119.1
71A32.9Very low31.1Very low76 Ų76122.2 Ų122.263%0.62874%0.743SS**  cis-174.6174.9-19.800000110.1
72N34.2Very low31.1Very low151 Ų151124.9 Ų124.981%0.80776%0.755SS**  trans7780.8156.3-58.5-12.2000122.1
73T32.7Very low30.8Very low123 Ų123128.1 Ų128.176%0.75577%0.766SS**  3.4165.5115.946.20000121.9
74P34.8Very low30.6Very low102 Ų102127.7 Ų127.766%0.66277%0.768SS**  cis-154.5-172.3-23.742.1-21.1000119.3
75L31.9Very low30.6Very low168 Ų168129.1 Ų129.188%0.8878%0.779SS**  trans81.5161.1146.8-99.270.6000121.5
76P35.3Very low30.6Very low106 Ų106127.7 Ų127.769%0.68878%0.778SS**  trans-131.7-174.6-153.547.5-35.6000116.8
77H34.9Very low30.5Very low182 Ų182127.7 Ų127.784%0.84378%0.783SS**  trans-168.3174.7132.6-120.3-109.5000115.9
78V30.1Very low30.2Very low118 Ų118127.4 Ų127.472%0.71578%0.78SS**  trans-93.8149.9-161-1630000114.8
79S29.5Very low30.1Very low108 Ų108127.5 Ų127.576%0.75578%0.776SS**  trans135.9134.9131.4-59.40000119.4
80S29.3Very low29.8Very low100 Ų100127.2 Ų127.270%0.69977%0.774SS**  trans72.2103.2138.6-166.30000123.9
81L25.1Very low29.5Very low159 Ų159126.1 Ų126.183%0.83277%0.77SS**  trans51.5114.5130.6-61.9169.2000121.9
82H28.6Very low29.5Very low163 Ų163130.2 Ų130.276%0.75578%0.779SS**  150.4129.697.1-165.3-114000114.2
83M25.2Very low29Very low150 Ų150130.1 Ų130.174%0.73978%0.779SS**  trans28.8113.5161.5-59.8-65.8-173.500120.9
84S26.6Very low28.7Very low121 Ų121127.9 Ų127.985%0.84677%0.768SS**  -177.9161.6105-780000111.4
85A26.7Very low28.2Very low102 Ų102128.5 Ų128.584%0.84377%0.77SS**  trans-88.8132.7-170.700000114.2
86T28.8Very low27.9Very low140 Ų140126.6 Ų126.686%0.85976%0.761SS**  trans-149.7147.4159.23.90000110.7
87S25.9Very low27.4Very low116 Ų116128 Ų12881%0.81176%0.758SS**  trans-87.1121.4-177.8530000112.5
88V25.5Very low27Very low144 Ų144127.3 Ų127.387%0.87375%0.753SS**  trans-138.2152.8162.7-168.40000109.3
89S26.3Very low26.8Very low93 Ų93131 Ų13165%0.6576%0.76SS**  trans-91.1178-171.2560000114.8
90S26.5Very low26.9Very low105 Ų105129.2 Ų129.273%0.73475%0.746SS**  trans72.5160.8149.934.30000118.7
91P28.1Very low26.8Very low121 Ų121128.9 Ų128.979%0.78674%0.736SS**  cis-123.1155.6-1.629.5-10.5000116.1
92I32.3Very low26.8Very low163 Ų163126.9 Ų126.984%0.83673%0.725SS**  trans-87.8133.7151.8-65.7164.2000107.2
93N25.3Very low26.7Very low148 Ų148126.5 Ų126.579%0.79173%0.727SS**  trans179.5159.1157-104.7-0.9000108.6
94S25.1Very low26.7Very low77 Ų77123.6 Ų123.654%0.53873%0.727SS.*  cis175.2141.9-28.249.60000106.1
95T24.6Very low26.6Very low115 Ų115122.9 Ų122.971%0.70673%0.729SS**  trans39.9112157.958.70000119.4
96N25.3Very low26.6Very low127 Ų127122.9 Ų122.968%0.67973%0.729SS**  176.9147.7106-91-47.9000113.6
97Q25.3Very low26.6Very low135 Ų135121 Ų12163%0.63172%0.721SS**  trans23.9127.9132.5-45.4168.43800116.7
98F26.2Very low26.7Very low169 Ų169122.2 Ų122.274%0.74172%0.724SS**  -165.4153.659-95.3-83.2000113.7
99F26.3Very low26.9Very low195 Ų195122.3 Ų122.386%0.85572%0.719SS**  trans-71.5-178.8154-88.1-94.8000110.3
100P32.9Very low27.1Very low71 Ų71123 Ų12346%0.46172%0.721SS.*  cis-136.8-161.90.718.310.4000114.8
101L26Very low27.1Very low92 Ų92124.2 Ų124.248%0.48273%0.726SS.*  trans76157.8159.6-66.9114.1000119.2Q61 P62Q61-L101 HydrophobicContact CB-CD1 4.49Å; Q61-L101 HydrophobicContact CB-CD2 4.13Å; P62-L101 HydrophobicContact CB-CD1 3.56Å; P62-L101 HydrophobicContact CB-CD2 4.13Å
102I25.8Very low27.1Very low118 Ų118123.5 Ų123.561%0.60572%0.724SS**  cis-168.6168.4-40.5-144165.5000108.1
103L26.2Very low27Very low154 Ų154122 Ų12281%0.80672%0.723SS**  trans63.7125175.8-100.149.7000114.5
104A24.9Very low27.1Very low89 Ų89120.1 Ų120.174%0.73672%0.722SS**  cis94140.43300000115.2
105A24.8Very low27.4Very low106 Ų106121.8 Ų121.888%0.87673%0.733SS**  trans58.2101.7166.100000119.3
106A27.5Very low27.4Very low103 Ų103120.9 Ų120.985%0.85174%0.737SS**  trans-142.4128.1141.900000109.5
107S27.9Very low27.6Very low100 Ų100120.7 Ų120.770%0.69974%0.743SS**  trans-75143.5172.3-175.70000110.2L109S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 VanDerWaalsContact O-N 3.09Å
108T27Very low27.7Very low141 Ų141120.2 Ų120.287%0.86575%0.75SS**  trans-69.7102168.748.80000110.3
109L30.3Very low27.6Very low147 Ų147118.2 Ų118.277%0.7775%0.753SS**PPolyproline II helixtrans-100.8155.9158.1-90.1108.7000110.3S107S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 VanDerWaalsContact O-N 3.09Å
110P30.9Very low27.6Very low107 Ų107116.6 Ų116.670%0.69575%0.753SS**PPolyproline II helixtrans-76.7161.3-160.329.9-36.2000114.2
111P27.1Very low27.2Very low130 Ų130121.1 Ų121.184%0.84477%0.768SS**PPolyproline II helixtrans-79.1127.7-170.630.9-35.3000113.5
112S28.5Very low27Very low106 Ų106122.8 Ų122.874%0.74178%0.776SS**  trans-130.899.9170.1-68.30000111.6
113T28.4Very low27.1Very low132 Ų132125.9 Ų125.981%0.8179%0.788SS**  trans49.7122.9143.158.80000121.7
114S27.5Very low27.1Very low109 Ų109125.1 Ų125.176%0.76278%0.784SS**  trans84.8151.6132-167.90000120.5
115S31.4Very low27.2Very low112 Ų112124.6 Ų124.678%0.78379%0.787SS**  trans69.7112.8163.1100000117.2
116A25.8Very low27.2Very low95 Ų95125.7 Ų125.779%0.78578%0.778SS**  trans-98.7-162.3169.700000110.2
117P29.1Very low27.2Very low123 Ų123132.4 Ų132.480%0.79978%0.783SS**  -118.8152-106.135.4-19.9000114.8
118T27.6Very low27.2Very low126 Ų126132.8 Ų132.877%0.77379%0.786SS**  trans-139.7126.7169.939.80000111.7
119P24.6Very low27.4Very low126 Ų126129 Ų12982%0.81878%0.776SS**  trans-90.5119.9174.133-30000111
120L26.3Very low27.3Very low162 Ų162127.8 Ų127.885%0.84878%0.779SS**  trans-128.490.6175.6-76.9176.4000113.3
121Q23.5Very low27.3Very low165 Ų165127.5 Ų127.577%0.77178%0.78SS**  trans-21.1142147.2175178.1-7.200117.8
122L23Very low27.2Very low127 Ų127126 Ų12667%0.66577%0.772SS**  trans65.3122160.9-73.4167.5000120.2L124L122-L124 HydrophobicContact CD2-CD1 4.11Å
123H26.8Very low27.2Very low184 Ų184127.9 Ų127.985%0.85278%0.779SS**  -150.2146.5107.8-143.9-84.8000112.6
124L25.4Very low27.1Very low137 Ų137125.5 Ų125.572%0.71777%0.773SS**  trans-83.6144.5167.6-93.959.3000109.9L122L122-L124 HydrophobicContact CD2-CD1 4.11Å
125G28.3Very low27.3Very low78 Ų78126.7 Ų126.780%0.80478%0.778SS**  trans-146.982.4-176.300000112.3
126N25.1Very low27Very low129 Ų129126 Ų12669%0.6978%0.779SS**  trans-42.3137.7-175.8-53.3-25.3000115.3
127Y27.4Very low26.9Very low244 Ų244126.9 Ų126.996%0.95778%0.78SS**  -133.6128.4127.8-107.3-81.2000109.6
128S27.6Very low26.7Very low108 Ų108126.1 Ų126.176%0.75578%0.777SS**  trans-107156.9-166-52.10000112.1
129G30.6Very low26.6Very low63 Ų63128.8 Ų128.865%0.64978%0.781SS**  trans124.886.9-179.400000110.2
130S28.5Very low26.5Very low120 Ų120127.8 Ų127.884%0.83978%0.777SS**  62.6128.471.8-54.20000112.1
131S29.9Very low26.5Very low101 Ų101127.3 Ų127.371%0.70677%0.774SS**  cis-166.8119.6247.40000107.8
132S27Very low26.6Very low99 Ų99127.4 Ų127.469%0.69277%0.772SS**  94.8129.186.973.90000114.7
133V27.1Very low26.8Very low145 Ų145129.7 Ų129.788%0.87978%0.784SS**  trans67.2136.3140.2175.70000117.2
134A25.8Very low26.8Very low83 Ų83126.9 Ų126.969%0.68677%0.771SS**  cis-142163.57.900000112.4
135P32.1Very low26.9Very low133 Ų133126.4 Ų126.486%0.86478%0.776SS**  trans-101.5120.2169.535.4-28.3000113.7
136A24.9Very low26.7Very low99 Ų99126.2 Ų126.282%0.81876%0.762SS**  trans-172.7152.4167.600000108.1
137S24.8Very low26.9Very low113 Ų113126.2 Ų126.279%0.7977%0.767SS**  cis-159.3-170.2-13.455.80000108.8Q139S137-Q139 PolarHBondContact O-N 3.39Å
138S24Very low26.7Very low107 Ų107120.7 Ų120.775%0.74876%0.759SS**  trans-48.2123-176.6-44.90000116.1
139Q25.6Very low26.6Very low181 Ų181120.8 Ų120.885%0.84675%0.754SS**  trans-167153.6140.8-111.7146.5101.900113.8S137S137-Q139 PolarHBondContact O-N 3.39Å
140S22.7Very low26.2Very low106 Ų106123.9 Ų123.974%0.74176%0.761SS**  trans-88.9130.6173.152.20000111.6
141I26.8Very low26Very low152 Ų152122.6 Ų122.678%0.77976%0.758SS**  trans-134.5137.4156.7-81.199.9000108.8
142F24.2Very low25.7Very low166 Ų166122.8 Ų122.873%0.72876%0.759SS**  trans-77.1150.2172.8-82.2-119.3000111H144F142-H144 HydrophobicContact CD1-CB 4.24Å
143L28.9Very low25.5Very low175 Ų175123.3 Ų123.392%0.91676%0.762SS**  trans-123110.5143-78.8176.6000108.4
144H25.4Very low25.4Very low126 Ų126123.3 Ų123.358%0.58376%0.756SS**  trans-115.5116-170.4-173.2-98.6000109.3F142 S146F142-H144 HydrophobicContact CD1-CB 4.24Å; H144-S146 WeakPolarHBondContact ND1-CB 3.29Å; H144-S146 PolarHBondContact ND1-N 2.74Å; H144-S146 PolarHBondContact ND1-OG 3.3Å; H144-S146 PolarHBondContact O-N 3.31Å
145P29Very low25.4Very low127 Ų127124.6 Ų124.683%0.82576%0.76SS**  trans-78.766.9171.532.7-33.5000110.2V147P145-V147 PolarHBondContact O-N 3.35Å
146S24Very low25.1Very low74 Ų74124.9 Ų124.952%0.51776%0.759SS.*  trans-72.2111.916819.80000109.9H144H144-S146 WeakPolarHBondContact ND1-CB 3.29Å; H144-S146 PolarHBondContact ND1-N 2.74Å; H144-S146 PolarHBondContact ND1-OG 3.3Å; H144-S146 PolarHBondContact O-N 3.31Å
147V28.4Very low25.2Very low129 Ų129125.8 Ų125.878%0.78276%0.756SS**  trans-123.376.7165.5-170.60000108.9P145P145-V147 PolarHBondContact O-N 3.35Å
148T23.5Very low25.2Very low128 Ų128127.4 Ų127.479%0.78576%0.756SS**  trans-95.397.9167.142.90000110.1
149T25.6Very low25.6Very low109 Ų109129.2 Ų129.267%0.66976%0.762SS**  trans-160.6127.5160.630.30000106.1
150T23.2Very low25.6Very low129 Ų129127.1 Ų127.179%0.79176%0.756SS**  cis64.4150.849.374.40000114.5
151A24.1Very low25.9Very low93 Ų93128.9 Ų128.977%0.76976%0.757SS**  trans83.3101.6179.700000117.2
152S23.8Very low25.7Very low105 Ų105127 Ų12773%0.73476%0.757SS**  trans-31.6168.4140.653.20000118.4
153C22.7Very low26.1Very low110 Ų110124.9 Ų124.974%0.74376%0.76SS**  trans101.8125.114091.30000121.5
154L24.2Very low26.1Very low145 Ų145122.7 Ų122.776%0.75976%0.76SS**  trans74.198.4143.1-63.7166.5000123.2
155S26.1Very low26.1Very low109 Ų109128 Ų12876%0.76278%0.775SS**  49.6107.4109.2-52.20000122.5
156V25.3Very low26.1Very low140 Ų140129.7 Ų129.785%0.84878%0.776SS**  trans-153.8140.1155.5-1620000109.9
157P27.7Very low26.1Very low118 Ų118130.9 Ų130.977%0.76678%0.784SS**  cis-126.7-176.7-37.240.5-24.9000113.3
158N24.9Very low25.9Very low147 Ų147130.6 Ų130.679%0.78678%0.783SS**  trans-66.2145.8177.1-65.7-49.5000115.4
159V31.2Very low26Very low145 Ų145130 Ų13088%0.87978%0.784SS**  trans-137.193135.3-173.40000110.9
160L26.5Very low26Very low136 Ų136128.6 Ų128.671%0.71279%0.792SS**  trans36.3135150-87.263.9000123.8
161N28.5Very low26.1Very low144 Ų144129.1 Ų129.177%0.7779%0.794SS**  trans82.183.9137-63.72.4000121.8
162S23.8Very low26Very low111 Ų111130.9 Ų130.978%0.77680%0.795SS**  trans-53.1179.5130.1-45.30000112.8
163P31.3Very low26.1Very low122 Ų122132 Ų13279%0.79280%0.798SS**  -132.9152.5-5536.1-21.2000112.6
164S29.3Very low26.1Very low130 Ų130131.9 Ų131.991%0.90981%0.805SS**  trans-134137.8173.3-81.20000113.5
165R25Very low26.2Very low238 Ų238129.8 Ų129.890%0.89880%0.802SS**  trans-89.9126.4-179.1-64.2170.7166.1-151.8-2.2111.6
166L28.5Very low26.1Very low162 Ų162131 Ų13185%0.84881%0.806SS**  trans-167.5103.4154.2-94135.9000105.3
167S23.7Very low26.4Very low98 Ų98129.7 Ų129.769%0.68580%0.8SS**  69.5135.954.2-56.50000114.3
168T25.8Very low26.3Very low123 Ų123132.2 Ų132.276%0.75581%0.806SS**  trans63.295.8167.745.20000119.2
169S24.8Very low26.3Very low115 Ų115131.3 Ų131.380%0.80481%0.806SS**  56.6124.3126.762.50000122
170G25.1Very low26.2Very low81 Ų81128.4 Ų128.484%0.83580%0.797SS**  97.947.3125.900000118.6
171V25.8Very low26.1Very low140 Ų140127 Ų12785%0.84880%0.798SS**  trans-122.4141.1167.4-176.80000111
172T23Very low26Very low129 Ų129127.6 Ų127.679%0.79180%0.801SS**  trans-93.2136.3-179.550.70000112.7
173T25.3Very low26.3Very low128 Ų128129 Ų12979%0.78580%0.798SS**  trans-151.4135153.623.40000111.3
174A22.8Very low26Very low109 Ų109129.4 Ų129.490%0.90179%0.794SS**  trans-100.4123.9150.300000106.4
175S25.5Very low25.9Very low100 Ų100132.4 Ų132.470%0.69979%0.79SS**  trans-153.295.5-17155.60000113.5
176T24.8Very low25.9Very low135 Ų135127.7 Ų127.783%0.82878%0.783SS**  trans-80.9178.414652.80000109.3
177P32Very low25.7Very low112 Ų112125.2 Ų125.273%0.72778%0.778SS**  -129163.7-62.238.5-24.4000112.5
178L24.7Very low25.7Very low171 Ų171125.4 Ų125.490%0.89578%0.779SS**  trans-151.4156.2174.2-65174.6000108.2
179V25.6Very low25.7Very low129 Ų129125.8 Ų125.878%0.78278%0.781SS**  cis-164.2154.7-18.2126.40000104.8
180A27.3Very low25.7Very low84 Ų84126 Ų12669%0.69478%0.783SS**  cis-105179.53.200000110.4
181S24.8Very low25.7Very low105 Ų105127.8 Ų127.873%0.73478%0.78SS**  cis79.3101.717.6-163.50000117.9
182L26.7Very low25.6Very low157 Ų157126.9 Ų126.982%0.82278%0.78SS**  trans-160.9112.9131.2-103.2169.5000111
183I29.8Very low25.6Very low140 Ų140127.2 Ų127.272%0.71878%0.782SS**  trans58.591.8158.1-47.6179.5000118.3K185I183-K185 HydrophobicContact CG2-CG 4.49Å
184N24.9Very low25.6Very low132 Ų132125.4 Ų125.471%0.70678%0.779SS**  trans-64.8130147.7165.513.3000110.9
185K28.1Very low25.6Very low193 Ų193125.2 Ų125.284%0.83977%0.771SS**  trans-138.9141.2144.7-80.1-163.1175.9179.70111.4I183I183-K185 HydrophobicContact CG2-CG 4.49Å
186N25.5Very low25.5Very low138 Ų138126.8 Ų126.874%0.73878%0.776SS**  trans-75177.8-178-68.9-31000113.8
187C23.9Very low25.4Very low111 Ų111125.9 Ų125.975%0.7577%0.771SS**  trans94.289.1154.2-590000118.9
188S23.6Very low25.1Very low101 Ų101124.3 Ų124.371%0.70676%0.755SS**  73158.8117.967.40000121.8
189T25.4Very low25Very low131 Ų131120.9 Ų120.980%0.80475%0.746SS**  trans66.2119.3167.352.70000118.3
190S24.2Very low25.2Very low119 Ų119120.8 Ų120.883%0.83275%0.748SS**  trans-76.5149.9167.6-44.10000111.8
191P26.2Very low25.1Very low119 Ų119125.9 Ų125.977%0.77376%0.757SS**  trans-105.3136.3150.233.9-26.9000111.1
192S22.9Very low25.3Very low122 Ų122125 Ų12585%0.85376%0.756SS**  trans-104113.9172.6163.50000110.1
193V24.4Very low25.5Very low136 Ų136123.7 Ų123.782%0.82476%0.757SS**  trans-151.6139.2172.8-175.70000107.4
194A23.8Very low25.3Very low89 Ų89124.1 Ų124.174%0.73676%0.761SS**  cis-161.7169.5-2900000106.6
195S22.8Very low25.5Very low105 Ų105126.2 Ų126.273%0.73477%0.766SS**  trans-74.4140.7-174.955.60000114.7
196V23.9Very low25.5Very low133 Ų133123.9 Ų123.981%0.80676%0.761SS**  trans-117.1126.9151.9177.90000107.8I198V196-I198 HydrophobicContact CG1-CG1 4.47Å
197V23.7Very low25.5Very low117 Ų117125.8 Ų125.871%0.70977%0.766SS**  trans-119.4121.9-177.9175.40000109
198I25.6Very low25.7Very low78 Ų78125.3 Ų125.340%0.476%0.761SS.*  trans-137.4116.9169.1-56.6179.4000107.8T58 I59 V196T58-I198 HydrophobicContact CG2-CD1 4.15Å; I59-I198 HydrophobicContact CD1-CD1 4.39Å; V196-I198 HydrophobicContact CG1-CG1 4.47Å
199S22.7Very low25.7Very low100 Ų100126.9 Ų126.970%0.69977%0.767SS**  trans-108.3133.9178.6-580000111
200P28Very low25.6Very low127 Ų127127.5 Ų127.583%0.82576%0.764SS**PPolyproline II helixtrans-88.1137.815533.1-28.2000110.1
201Q25.8Very low25.5Very low191 Ų191125.8 Ų125.889%0.89376%0.758SS**PPolyproline II helixtrans-103.4126.6-169.7-172.5174.96.400111.3
202A29.9Very low25.4Very low87 Ų87127.5 Ų127.572%0.71976%0.759SS**PPolyproline II helixtrans-103.4146.4168.600000110.1
203P29.7Very low25.4Very low128 Ų128133.1 Ų133.183%0.83176%0.762SS**PPolyproline II helixtrans-78.8158.8-165.330.9-36.2000114.6
204N27Very low25.3Very low150 Ų150135.3 Ų135.380%0.80276%0.761SS**PPolyproline II helixtrans-62.1139.8179.5-51.6-73.2000112.7
205H28.3Very low25.3Very low175 Ų175135 Ų13581%0.8176%0.757SS**  trans-152.4100.4132.3-123-82.1000113.1Q207H205-Q207 PolarHBondContact O-N 3.45Å
206I27.8Very low25.4Very low144 Ų144135.6 Ų135.674%0.73876%0.757SS**  trans21.297.8145.8-50.6170.2000115.8
207Q26.5Very low25.5Very low179 Ų179138.3 Ų138.384%0.83676%0.761SS**  trans-94.3124.1163.7-162.3177.536.400109.3H205 T209H205-Q207 PolarHBondContact O-N 3.45Å; Q207-T209 PolarHBondContact O-N 3.07Å
208P26.7Very low25.6Very low101 Ų101138.4 Ų138.466%0.65676%0.762SS**  trans-78.2105.9-178.129.3-33.3000111.5L210P208-L210 VanDerWaalsContact C-N 3.25Å; P208-L210 PolarHBondContact O-N 3.34Å
209T23.5Very low25.6Very low133 Ų133139.6 Ų139.682%0.81678%0.777SS**  trans-71.175.4175.7-50.90000111.8Q207 A211Q207-T209 PolarHBondContact O-N 3.07Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.49Å
210L24.2Very low25.7Very low144 Ų144139.5 Ų139.575%0.75477%0.772SS**  trans-73.785.6172.8-82.4168.6000110.8P208 L212P208-L210 VanDerWaalsContact C-N 3.25Å; P208-L210 PolarHBondContact O-N 3.34Å; L210-L212 PolarHBondContact O-N 3.32Å
211A22.9Very low25.6Very low84 Ų84141.4 Ų141.469%0.69477%0.77SS**  trans-65.597.8172.700000110.8T209 R213T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.49Å; A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 3.37Å
212L22.8Very low25.6Very low154 Ų154137.8 Ų137.881%0.80677%0.765SS**  trans-64.888.2173-72.9174.3000110.8L210 F214L210-L212 PolarHBondContact O-N 3.32Å; L212-F214 PolarHBondContact O-N 3.5Å
213R22.5Very low25.3Very low240 Ų240138.3 Ų138.391%0.90676%0.763SS**  trans-62.7103.8164.1-83.8-171.9173.9179.30.3109.1A211 A215A211-R213 VanDerWaalsContact C-N 3.33Å; A211-R213 PolarHBondContact O-N 3.37Å; R213-A215 PolarHBondContact O-N 3.3Å
214F24Very low25Very low183 Ų183137.1 Ų137.180%0.80376%0.757SS**  trans-56.8122.6159.5-76.3-86.6000108.8L212 T216L212-F214 PolarHBondContact O-N 3.5Å; F214-T216 PolarHBondContact O-N 3.24Å
215A22.9Very low24.8Very low81 Ų81137.9 Ų137.967%0.66976%0.758SS**  trans-74.574176.700000110.6R213 H217R213-A215 PolarHBondContact O-N 3.3Å; A215-H217 PolarHBondContact O-N 2.88Å
216T25.5Very low24.6Very low118 Ų118135 Ų13572%0.72475%0.752SS**  trans-64.4122.616543.70000108.7F214 T218F214-T216 PolarHBondContact O-N 3.24Å; T216-T218 PolarHBondContact O-N 2.93Å
217H26Very low24.4Very low190 Ų190132.4 Ų132.488%0.8874%0.744SS**  trans-65.7121.1177-79-84.6000110.1A215 S219A215-H217 PolarHBondContact O-N 2.88Å; H217-S219 PolarHBondContact O-N 3.41Å
218T26Very low24.3Very low120 Ų120129.3 Ų129.374%0.73674%0.737SS**  trans-78.3100.1179.448.50000111.6T216T216-T218 PolarHBondContact O-N 2.93Å
219S25.9Very low24.3Very low102 Ų102128.3 Ų128.371%0.71374%0.737SS**  trans-162.681.8145.6-167.10000108.2H217H217-S219 PolarHBondContact O-N 3.41Å
220T24.8Very low24.4Very low98 Ų98127.7 Ų127.760%0.60173%0.734SS**  63.480.767.675.10000115.5
221Q25.9Very low24.5Very low168 Ų168126.6 Ų126.679%0.78573%0.733SS**  trans-166.5123.4132.7-103.5171.4500107.3
222C24.6Very low24.8Very low115 Ų115129.5 Ų129.578%0.77774%0.737SS**  73135.589.5-67.60000113.8
223S24.8Very low25Very low98 Ų98127 Ų12769%0.68573%0.732SS**  cis-159.7151.9-9.4-88.20000111.4
224S22.4Very low25.3Very low102 Ų102121 Ų12171%0.71373%0.727SS**  trans27.4137.7147.964.10000123.7
225M23Very low25.5Very low167 Ų167116.3 Ų116.382%0.82372%0.722SS**  trans93.1118139.2-78.4172.775.300122.6
226V24.6Very low25.6Very low113 Ų113118.2 Ų118.269%0.68573%0.729SS**  trans71.7105139.8-175.10000119.5T228V226-T228 HydrophobicContact CG1-CG2 4.1Å
227T23.3Very low25.8Very low91 Ų91118 Ų11856%0.55873%0.73SS**  trans-99.1140.5157.347.40000111.3
228T25.1Very low25.8Very low114 Ų114115.5 Ų115.570%0.69972%0.722SS**  trans-143.4160.1173.744.50000112.2V226V226-T228 HydrophobicContact CG1-CG2 4.1Å
229A25.6Very low25.6Very low79 Ų79116.4 Ų116.465%0.65373%0.727SS**  trans63112-179.100000115.5
230T25.7Very low25.6Very low121 Ų121120 Ų12074%0.74273%0.73SS**  66.6130.453.974.60000115.7
231V27.4Very low25.5Very low121 Ų121123.8 Ų123.873%0.73374%0.741SS**  -178.7115.2129.7145.90000110.4
232N27.3Very low25.5Very low145 Ų145122.4 Ų122.478%0.77574%0.744SS**  trans53.8157.9144.3-50.9-11.1000120.7
233S28.1Very low25.6Very low101 Ų101121.9 Ų121.971%0.70674%0.739SS**  cis-149.2144.620.1-49.60000114.6
234S27.8Very low25.5Very low114 Ų114124 Ų12480%0.79775%0.748SS**  trans50138.4141.558.70000121.4
235A28.4Very low25.7Very low85 Ų85125 Ų12570%0.70275%0.75SS**  cis-155.2144.9-0.500000107.5
236C25.7Very low25.8Very low120 Ų120124.5 Ų124.581%0.81175%0.751SS**  71.6142.952.1-60.80000114
237P29.5Very low26Very low115 Ų115125.4 Ų125.475%0.74776%0.756SS**  cis-140.9-152-15.933.9-9.4000113.5
238L25.2Very low26.2Very low137 Ų137126.4 Ų126.472%0.71776%0.763SS**  trans86.687.9165.2-62.4167.7000118.6F240L238-F240 HydrophobicContact CD2-CE2 4.19Å
239V23.5Very low26.3Very low138 Ų138128.4 Ų128.484%0.83677%0.768SS**  trans-81.8142.7143.4173.40000107.9
240F24.7Very low26.6Very low179 Ų179129.4 Ų129.479%0.78577%0.768SS**  trans-111.7142.6163.1-95.7-83.8000110.2L238L238-F240 HydrophobicContact CD2-CE2 4.19Å
241E24.1Very low26.6Very low177 Ų177131 Ų13183%0.82777%0.771SS**  trans-77.8144.9177-59.2168.7116.700111
242T24.2Very low26.8Very low138 Ų138134.1 Ų134.185%0.84778%0.777SS**  trans-119.294156.946.60000108.6
243P26.5Very low26.7Very low104 Ų104132.1 Ų132.168%0.67578%0.775SS**  trans-69.1139.1174.428.7-33.8000110.5T245P243-T245 PolarHBondContact O-N 3.05Å
244T22.7Very low26.8Very low142 Ų142136.6 Ų136.687%0.87179%0.785SS**  trans-76.8102.3173.6490000110.9
245T27.6Very low26.6Very low125 Ų125140.8 Ų140.877%0.76778%0.783SS**  trans-148.9146.6166.87.10000111.9P243P243-T245 PolarHBondContact O-N 3.05Å
246N24.5Very low26.6Very low156 Ų156142.2 Ų142.283%0.83479%0.788SS**  trans-75.5153.9178.6-53.6-61.8000111.7
247V29.1Very low26.6Very low132 Ų132143.5 Ų143.580%0.878%0.782SS**  trans174.5102.8130.71510000112
248T28.3Very low26.5Very low112 Ų112144.2 Ų144.269%0.68779%0.788SS**  43.2102.6123.4-41.10000122.8
249L27.5Very low26.4Very low156 Ų156144.3 Ų144.382%0.81779%0.794SS**  trans68.4175.1139.8-57.6175.2000119
250P30.9Very low26.5Very low99 Ų99144.3 Ų144.364%0.64379%0.794SS**  -138.7-172.5-73.243.6-26.7000115.3
251L26.1Very low26.4Very low156 Ų156139.9 Ų139.982%0.81779%0.791SS**  trans72.6160.7168.3-58158.3000115
252Q30.4Very low26.5Very low185 Ų185139.8 Ų139.886%0.86479%0.794SS**  cis-144.1173.19.3-152.3166.50.300112.6
253S26.5Very low26.6Very low103 Ų103139.7 Ų139.772%0.7279%0.789SS**  trans-87.7151-171.6178.20000115.3
254Q30.4Very low26.7Very low195 Ų195142.9 Ų142.991%0.91179%0.792SS**  -167.9157.6122.4-105.6-173.538.300114.1
255R22.9Very low26.9Very low202 Ų202141 Ų14176%0.76278%0.783SS**  trans-158.7140.4179.5177.2-170.5177.4-177.22.5110.7H257R255-H257 PolarHBondContact NE-NE2 3.13Å; R255-H257 PolarHBondContact NH2-CE1 3.02Å; R255-H257 PolarHBondContact NH2-NE2 3.29Å
256S28.8Very low27.1Very low116 Ų116138.1 Ų138.181%0.81177%0.771SS**  trans-155.3169.4156.961.80000111.5
257H25.4Very low27.5Very low147 Ų147133.8 Ų133.868%0.68175%0.751SS**  trans-118154-174.6-69.3-110.4000111.5R255R255-H257 PolarHBondContact NE-NE2 3.13Å; R255-H257 PolarHBondContact NH2-CE1 3.02Å; R255-H257 PolarHBondContact NH2-NE2 3.29Å
258C27.8Very low27.5Very low130 Ų130133.7 Ų133.788%0.87875%0.751SS**  trans-155157.8152.545.70000111.2
259V22.2Very low27.5Very low138 Ų138133.7 Ų133.784%0.83676%0.756SS**  trans-142.4128.3-174.1172.70000109.3
260T26Very low27.5Very low138 Ų138133.4 Ų133.485%0.84776%0.76SS**  trans-148.5144.9165.8-34.80000110
261A22.9Very low27.3Very low86 Ų86134.7 Ų134.771%0.71177%0.772SS**  trans-120.9168173.900000110.6
262I26.8Very low27.5Very low176 Ų176131 Ų13190%0.90377%0.771SS**  trans-168.5162.5155.8-98.1145.5000108.3
263N25.7Very low27.2Very low136 Ų136127.5 Ų127.573%0.72777%0.767SS**  trans-125.8174.4-150.2-143.56.1000116
264F28.5Very low27.4Very low171 Ų171129.7 Ų129.775%0.7577%0.77SS**  trans-59.9172.7-178.1-56.1-90.4000116.5
265P27.8Very low27.4Very low103 Ų103126.4 Ų126.467%0.66976%0.758SS**  -144.7-177.2102.241.7-28.3000116.7
266A31.7Very low27.7Very low63 Ų63124.4 Ų124.452%0.52176%0.759SS.*  trans-145.3-146.1174.200000108G798 T799A266-G798 CarbonylContact O-C 3.35Å; A266-T799 CarbonylContact O-C 3.44Å; A266-T799 VanDerWaalsContact O-CA 3.29Å; A266-T799 WeakPolarHBondContact O-CA 3.49Å; A266-T799 PolarHBondContact O-N 2.87Å
267P31.1Very low27.5Very low65 Ų65123.1 Ų123.142%0.42275%0.75SS.*  cis-126.9-152.8-23.246.8-32.7000110.2L797P267-L797 WeakPolarHBondContact CD-O 3.41Å; P267-L797 VanDerWaalsContact CG-O 3.24Å; P267-L797 WeakPolarHBondContact CG-O 2.94Å
268T30.4Very low27.6Very low131 Ų131121.6 Ų121.680%0.80476%0.756SS**  171.6174.3124.634.90000112.5
269S26.8Very low27.8Very low111 Ų111120.7 Ų120.778%0.77675%0.747SS**  trans-144.3159.2-165.454.20000113.3
270V28.9Very low28.2Very low150 Ų150121.4 Ų121.491%0.90975%0.745SS**  trans-148.5151.1160.1-129.60000111.9
271S25.7Very low28.1Very low127 Ų127120.4 Ų120.489%0.88874%0.743SS**  trans-98.7156.6-177.6-56.20000112.6
272G30.4Very low28.4Very low78 Ų78122.2 Ų122.280%0.80475%0.75SS**  trans-158.3109.5167.800000112.4
273S25.3Very low28.5Very low112 Ų112120 Ų12078%0.78375%0.745SS**  trans-78166.6154630000109
274L30.1Very low28.6Very low148 Ų148118.9 Ų118.978%0.77575%0.745SS**  trans178.2137.7134-92163.7000110.2
275L31Very low28.5Very low126 Ų126121.3 Ų121.366%0.6675%0.749SS**  trans53.9125.6141.5-61175.3000122.7
276M28.2Very low28.3Very low161 Ų161122.1 Ų122.179%0.79375%0.752SS**  71.9158.6128.1-67-174.8167.800119.5
277S25.8Very low28.1Very low88 Ų88125.1 Ų125.162%0.61576%0.758SS**  cis-168.2147.3-27.1-99.20000109.6
278S26.6Very low28Very low116 Ų116129 Ų12981%0.81177%0.774SS**  trans63.2166.9162.175.50000115.6
279T31.7Very low27.8Very low111 Ų111130.6 Ų130.668%0.68177%0.772SS**  cis-132.9143.77.7480000113.2
280L30.1Very low27.9Very low153 Ų153134 Ų13480%0.80177%0.773SS**  trans42.9105.3137.8-55.7167.1000118.2
281C25.7Very low27.8Very low117 Ų117131.8 Ų131.879%0.79176%0.764SS**  61.7105.572-61.50000116.3
282S28.7Very low28.1Very low123 Ų123133.5 Ų133.586%0.8676%0.758SS**  -156.4130.7122.18.60000110.5
283T28.8Very low28Very low130 Ų130136.1 Ų136.180%0.79875%0.754SS**  trans-121175.1168.863.50000108.5
284P28Very low28.2Very low113 Ų113138 Ų13873%0.73475%0.754SS**  -141.8126.795.833.6-18.4000114.2V286P284-V286 HydrophobicContact CB-CG2 4.33Å; P284-V286 PolarHBondContact O-N 3.3Å
285R25.4Very low28.3Very low221 Ų221136 Ų13683%0.83475%0.753SS**  trans-76.6113.8150.3-79.8-178.1172.6176.2-1.5108L287R285-L287 VanDerWaalsContact C-N 3.35Å; R285-L287 PolarHBondContact O-N 2.94Å
286V24.5Very low28.3Very low120 Ų120137 Ų13773%0.72776%0.759SS**  trans-92.873.6165.9-172.60000109.2P284 I288P284-V286 HydrophobicContact CB-CG2 4.33Å; P284-V286 PolarHBondContact O-N 3.3Å; V286-I288 HydrophobicContact CG1-CD1 4.42Å; V286-I288 HydrophobicContact CG1-CG1 3.85Å; V286-I288 PolarHBondContact O-N 3.44Å
287L27Very low28.6Very low126 Ų126134.8 Ų134.866%0.6676%0.756SS**  trans-80103161.9-91169.1000107.8R285 H289R285-L287 VanDerWaalsContact C-N 3.35Å; R285-L287 PolarHBondContact O-N 2.94Å; L287-H289 PolarHBondContact O-N 3.11Å
288I28.1Very low29Very low148 Ų148136 Ų13676%0.75976%0.762SS**  trans-74.877173.1-51-177.1000109V286 K290V286-I288 HydrophobicContact CG1-CD1 4.42Å; V286-I288 HydrophobicContact CG1-CG1 3.85Å; V286-I288 PolarHBondContact O-N 3.44Å; I288-K290 PolarHBondContact O-N 3.26Å
289H27.9Very low29.3Very low163 Ų163135.4 Ų135.476%0.75576%0.758SS**  trans-68.3105.7159.3-98.7-105.1000108L287 S291L287-H289 PolarHBondContact O-N 3.11Å; H289-S291 PolarHBondContact O-N 3.25Å
290K28.1Very low29.2Very low182 Ų182137.2 Ų137.279%0.79176%0.763SS**  trans-77.8102.1174.4-170.3175.3-178.1-179.50109.5I288I288-K290 PolarHBondContact O-N 3.26Å
291S27.2Very low29.5Very low105 Ų105136.1 Ų136.173%0.73476%0.757SS**  trans-84.6134.417544.40000112H289H289-S291 PolarHBondContact O-N 3.25Å
292Q30.8Very low29.8Very low162 Ų162137.9 Ų137.976%0.75775%0.753SS**  trans168.4125.1167.4-100.2162.7-1.400105.9
293N29.5Very low29.7Very low133 Ų133138.2 Ų138.271%0.71175%0.75SS**  cis-127151.7-7.9-87.9-16.8000108.1
294L29.1Very low29.9Very low151 Ų151137.7 Ų137.779%0.79175%0.749SS**  66.473.357.7-81.6167.5000114.4
295S33.1Very low30.1Very low107 Ų107139 Ų13975%0.74876%0.755SS**  trans176.173.215056.80000108.5
296N30.9Very low30.3Very low148 Ų148135.2 Ų135.279%0.79176%0.757SS**  97.7138.485.5-907000112.2
297P32.7Very low30.6Very low113 Ų113134.7 Ų134.773%0.73476%0.758SS**  trans-100.9-141.8175.745.7-37.3000108
298P35.1Very low30.6Very low113 Ų113135.1 Ų135.173%0.73477%0.766SS**  cis-131164-26.637.6-22.1000114.8
299S32.4Very low30.7Very low104 Ų104133.9 Ų133.973%0.72777%0.766SS**  trans-157.8123.7148.747.20000107.6
300L31Very low30.7Very low150 Ų150132.5 Ų132.579%0.78577%0.769SS**  61.8127.177.2-58166000110.7
301I34.8Very low30.8Very low130 Ų130130.2 Ų130.267%0.66777%0.77SS**  cis-155.9169.612.3-133.7161.4000112.4
302E32.8Very low30.7Very low153 Ų153130 Ų13072%0.71577%0.768SS**  trans3.6118.8162-69162.8135.900119.3
303T27.3Very low30.7Very low131 Ų131127.9 Ų127.980%0.80477%0.769SS**  75.3149.481.952.20000116.5
304P33.1Very low30.8Very low119 Ų119127.5 Ų127.577%0.77378%0.777SS**  trans-109.2160.4-148.840.1-34.2000115.7
305T32.2Very low30.7Very low140 Ų140129.6 Ų129.686%0.85978%0.779SS**  trans-131.9138.4157.646.70000111.5
306T27.9Very low30.5Very low142 Ų142132.7 Ų132.787%0.87178%0.784SS**  trans-70135.9175.445.40000112.7
307S32.5Very low30.4Very low109 Ų109130.1 Ų130.176%0.76278%0.778SS**  trans-145.68916058.50000110.4T309S307-T309 PolarHBondContact O-N 3.2Å
308T26.1Very low30.3Very low135 Ų135130.6 Ų130.683%0.82878%0.779SS**  trans-74.1114.7168.842.20000110
309T31.3Very low29.9Very low122 Ų122129.3 Ų129.375%0.74877%0.772SS**  trans-119.791168.3-44.80000109.2S307 V311S307-T309 PolarHBondContact O-N 3.2Å; T309-V311 HydrophobicContact CG2-CG2 4.43Å; T309-V311 PolarHBondContact O-N 3.2Å
310T26.7Very low29.8Very low134 Ų134131 Ų13182%0.82277%0.773SS**  trans-73.6104.9169.545.60000109.6
311V30.4Very low29.7Very low133 Ų133128.5 Ų128.581%0.80677%0.768SS**  trans-97.6120.5156.7-177.30000107.1T309T309-V311 HydrophobicContact CG2-CG2 4.43Å; T309-V311 PolarHBondContact O-N 3.2Å
312S25.4Very low29.5Very low100 Ų100127.7 Ų127.770%0.69977%0.774SS**  trans-99.8-172.4-173.873.10000110.1
313P31.2Very low29.4Very low119 Ų119125.6 Ų125.677%0.77378%0.777SS**  -105.2158.5-128.219.22.1000114
314S31.5Very low29.4Very low125 Ų125124.9 Ų124.987%0.87477%0.772SS**  trans-143.8137.3170.9-61.70000111.4
315K26Very low29.1Very low195 Ų195126 Ų12685%0.84877%0.772SS**  trans-89.9136.2176.8-57.8168.4-179.7174.20109.7
316M29.6Very low28.9Very low171 Ų171127.3 Ų127.384%0.84277%0.773SS**  trans-165.5125.2134.2-11691.681.300104.7
317S27.9Very low29.1Very low94 Ų94125.4 Ų125.466%0.65777%0.765SS**  70.2139.363.3-510000113.1
318T30.9Very low28.7Very low124 Ų124127.7 Ų127.776%0.76177%0.769SS**  trans58.4118.1176.449.70000114.6
319S27.3Very low29Very low85 Ų85127 Ų12759%0.59477%0.766SS**  59.3130.963.788.50000110.7
320D29.3Very low28.8Very low140 Ų140124.8 Ų124.875%0.74976%0.761SS**  cis-157-171.836.9-90.4-66.9000114
321S30.4Very low29Very low98 Ų98125.9 Ų125.969%0.68576%0.76SS**  trans57.889.6145.256.60000120.8
322S29.1Very low29Very low113 Ų113125.5 Ų125.579%0.7975%0.752SS**  38.1105.1118.263.40000121.1
323S31.2Very low29.2Very low109 Ų109129 Ų12976%0.76276%0.755SS**  trans-152.4120.8136.543.10000107.5
324T28.3Very low29.3Very low115 Ų115130.7 Ų130.771%0.70675%0.752SS**  69.99761.666.90000115.4
325N26.7Very low29.4Very low144 Ų144129.8 Ų129.877%0.7774%0.738SS**  trans73.1149.8156.1-55.8-43.9000119.1
326L27.9Very low29.7Very low167 Ų167127.5 Ų127.587%0.87473%0.73SS**  trans69.7145.2165.8-54.9131.7000114.8
327S31.1Very low29.7Very low101 Ų101125.4 Ų125.471%0.70672%0.721SS**  cis-161.7153.8-12.639.70000110.4
328N24.4Very low29.9Very low158 Ų158126.9 Ų126.985%0.84572%0.721SS**  trans-62.9146.4167.6-74.6-23.7000111
329P32.8Very low29.7Very low119 Ų119126.1 Ų126.177%0.77372%0.716SS**  -127.7144.2109.335.9-30.2000111.6
330A27Very low30Very low77 Ų77130.7 Ų130.764%0.63673%0.728SS**  cis82.482.929.600000115.2
331I31.6Very low29.7Very low157 Ų157129.1 Ų129.181%0.80573%0.728SS**  trans-135.298.2157.6-57.3-179.4000104.6
332I28.5Very low29.7Very low124 Ų124129.3 Ų129.364%0.63673%0.728SS**  96.4148.960.5-68.5162000110.8
333F30.9Very low29.8Very low173 Ų173131.8 Ų131.876%0.75973%0.727SS**  trans82.8108-171.5-53.9-67.5000114.6
334H32.8Very low29.5Very low156 Ų156133 Ų13372%0.72273%0.729SS**  72.3131.376.6-81.8-95.5000111.5
335D33.1Very low29.6Very low106 Ų106132.8 Ų132.857%0.56773%0.733SS**  cis-158.3173.44.1-140.3-22.7000113.9
336Q32.2Very low29.7Very low147 Ų147135.1 Ų135.169%0.68774%0.736SS**  trans15.3152.5138.9-81.5172.684.500122.2
337I31Very low29.6Very low127 Ų127133.5 Ų133.565%0.65173%0.733SS**  cis-168.4168.1-13.5-134.5176.8000108.7
338N30.9Very low29.5Very low124 Ų124137.9 Ų137.966%0.66374%0.74SS**  trans61.4131166.9-80.4-15.6000117.8
339T28.2Very low29.5Very low108 Ų108137.7 Ų137.766%0.66374%0.737SS**  cis65.5107.137.796.90000115.2
340Q32Very low29.3Very low181 Ų181138.5 Ų138.585%0.84674%0.74SS**  166.6127.3125.4-90.1178.214.400112
341S23.4Very low29.2Very low107 Ų107139.1 Ų139.175%0.74873%0.733SS**  trans-81.6156.1148.266.50000108.2
342P31.4Very low28.9Very low103 Ų103140.6 Ų140.667%0.66973%0.734SS**  -159-160.775.344-22.9000115.7
343Q29.7Very low28.7Very low165 Ų165140.1 Ų140.177%0.77174%0.737SS**  trans57.7103.3153.2-72.5173.4-24.700119.2
344T25.3Very low28.5Very low134 Ų134136.9 Ų136.982%0.82273%0.731SS**  6589.475.469.50000117.1
345S31.3Very low28.1Very low110 Ų110135.3 Ų135.377%0.76974%0.735SS**  trans-143.2116.3150.745.30000107.3
346K27.6Very low27.8Very low193 Ų193138.9 Ų138.984%0.83975%0.753SS**  82.3124.173.4-82.1-176.4178.3175.40113.4
347T27Very low27.4Very low133 Ų133137.2 Ų137.282%0.81676%0.758SS**  trans64.8152.4167.756.50000117
348K29Very low27.1Very low194 Ų194135.6 Ų135.684%0.84376%0.763SS**  cis-144.7165-0.3-132.6167.6-174.9178.50109.7
349L24.7Very low26.8Very low153 Ų153136.1 Ų136.180%0.80177%0.771SS**  trans-74.6145.2-176.7-71.774.3000113
350V27.6Very low26.6Very low137 Ų137136.7 Ų136.783%0.8377%0.774SS**  -124.8138.2129.8178.50000106.9F352V350-F352 HydrophobicContact CG1-CE2 4.35Å
351N25.8Very low26.1Very low89 Ų89137.9 Ų137.948%0.47677%0.771SS.*  trans-117128.2-170.6-178.130.4000111.7T353N351-T353 VanDerWaalsContact CG-OG1 3.3Å; N351-T353 PolarHBondContact ND2-OG1 2.85Å; N351-T353 VanDerWaalsContact ND2-OG1 3.09Å; N351-T353 PolarHBondContact OD1-N 3.4Å; N351-T353 PolarHBondContact OD1-OG1 2.93Å
352F24.5Very low26Very low189 Ų189141.3 Ų141.383%0.82978%0.78SS**  trans-122.944.3165.7-79-67.2000112.1V350V350-F352 HydrophobicContact CG1-CE2 4.35Å
353T23.9Very low25.7Very low114 Ų114141.8 Ų141.870%0.69978%0.776SS**  trans-95.575.915752.80000110.2N351N351-T353 VanDerWaalsContact CG-OG1 3.3Å; N351-T353 PolarHBondContact ND2-OG1 2.85Å; N351-T353 VanDerWaalsContact ND2-OG1 3.09Å; N351-T353 PolarHBondContact OD1-N 3.4Å; N351-T353 PolarHBondContact OD1-OG1 2.93Å
354T27.2Very low25.4Very low104 Ų104140.4 Ų140.464%0.63878%0.779SS**  trans-139.9126.7170.829.40000109.6
355P24.1Very low25.3Very low123 Ų123139 Ų13980%0.79977%0.771SS**  trans-81.9126.9-179.631.8-32.5000110.8S357P355-S357 PolarHBondContact O-N 3.39Å
356L27Very low24.9Very low182 Ų182138 Ų13895%0.95376%0.763SS**  trans-75.996.1167.7-77.6170.7000109.4
357S24.5Very low24.7Very low112 Ų112132.7 Ų132.778%0.78375%0.75SS**  trans-69.7167.2172.6-167.70000111.8P355 T359P355-S357 PolarHBondContact O-N 3.39Å; S357-T359 PolarHBondContact O-N 3.33Å
358A23.6Very low24.7Very low93 Ų93131.8 Ų131.877%0.76974%0.744SS**  trans-69.4117.7-172.400000114.3
359T23.8Very low24.4Very low135 Ų135128.7 Ų128.783%0.82874%0.741SS**  trans-169.1137.7143.911.40000104.5S357S357-T359 PolarHBondContact O-N 3.33Å
360V24.6Very low24.4Very low120 Ų120127 Ų12773%0.72774%0.741SS**SBendcis-148.815845164.30000110
361R22.9Very low24.2Very low206 Ų206124.7 Ų124.778%0.77774%0.736SS**  trans6484.9168.7-80.2166.2-175.3-150.30.3116.9I363R361-I363 HydrophobicContact CB-CD1 4.2Å; R361-I363 HydrophobicContact CB-CG1 4.08Å; R361-I363 HydrophobicContact CG-CD1 3.92Å; R361-I363 HydrophobicContact CG-CG1 4.09Å; R361-I363 PolarHBondContact O-N 3.34Å
362L20.6Very low24.2Very low178 Ų178126.9 Ų126.993%0.93275%0.753SS**  trans-59.3116.8132.1-85.8163000108.4
363I24.9Very low24.2Very low114 Ų114124.5 Ų124.559%0.58575%0.754SS**  trans-134.1118.6160.5-61.5176.2000105.9R361 P365R361-I363 HydrophobicContact CB-CD1 4.2Å; R361-I363 HydrophobicContact CB-CG1 4.08Å; R361-I363 HydrophobicContact CG-CD1 3.92Å; R361-I363 HydrophobicContact CG-CG1 4.09Å; R361-I363 PolarHBondContact O-N 3.34Å; I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.37Å
364T24.2Very low24.2Very low136 Ų136128.3 Ų128.383%0.83476%0.761SS**  trans-85.6115.617240.60000110.7
365P23Very low24.1Very low103 Ų103129.1 Ų129.167%0.66977%0.771SS**  trans-142.1-170.2142.643.7-27.3000110.2I363I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.37Å
366P23.2Very low24.2Very low91 Ų91129.1 Ų129.159%0.59177%0.769SS**  -124.7-172.7-8637-19.3000112.8
367S22.9Very low23.9Very low81 Ų81125.8 Ų125.857%0.56676%0.759SS**  trans-75.8-174.3168.3510000112.8
368T25.7Very low23.8Very low114 Ų114125.2 Ų125.270%0.69975%0.751SS**  trans80.5127.8-16769.40000113.4
369V24.1Very low23.7Very low128 Ų128126.9 Ų126.978%0.77675%0.752SS**  cis83.9125.130.6-177.20000113.6
370C23.5Very low23.7Very low117 Ų117124.7 Ų124.779%0.79174%0.742SS**  trans58.4112.9178.6-67.60000115.9
371A24.5Very low23.6Very low90 Ų90125.8 Ų125.874%0.74475%0.749SS**  75117.356.900000114.2
372T25.7Very low23.8Very low134 Ų134121.2 Ų121.282%0.82275%0.748SS**  179.4130.2128.732.50000111.1
373T24.3Very low24.1Very low139 Ų139116 Ų11685%0.85374%0.737SS**  trans-150.594.8131.526.90000107.6
374K25.1Very low24Very low194 Ų194118.1 Ų118.184%0.84375%0.75SS**  trans-70.4128.1155.8-74.1-178.2176.4179.50106.7
375S25Very low24.1Very low121 Ų121117.1 Ų117.185%0.84675%0.749SS**  trans-106.4114.3159.6-670000107.2
376T24.5Very low24.1Very low124 Ų124116.3 Ų116.376%0.76175%0.751SS**  trans-89.7137.9-172-41.10000111
377C22.1Very low24.1Very low111 Ų111118.6 Ų118.675%0.7576%0.763SS**  trans-147.4108156.3-151.60000103.9
378T22.5Very low24.2Very low100 Ų100120.6 Ų120.661%0.61377%0.771SS**  39.2125.78757.60000112.1
379V21.7Very low24.1Very low129 Ų129123.2 Ų123.278%0.78277%0.773SS**  cis-133.7119.938.8-1690000108.4
380S22.4Very low24.3Very low88 Ų88122.9 Ų122.962%0.61577%0.774SS**  47.1114.595.9-41.60000115.7
381T24Very low24.4Very low144 Ų144122.4 Ų122.488%0.88377%0.767SS**  trans-141.489.114333.10000110.8
382S26.1Very low24.6Very low109 Ų109123.8 Ų123.876%0.76277%0.772SS**  -55.6150.3126.247.70000108.3
383G27Very low24.6Very low68 Ų68125.6 Ų125.670%0.70178%0.775SS**  cis128.6118.319.900000107.5
384N23.6Very low24.8Very low160 Ų160124 Ų12486%0.85677%0.77SS**  trans10103.6179.2-61.76.6000119.5
385S25.2Very low24.9Very low115 Ų115123.6 Ų123.680%0.80477%0.771SS**  trans-154.9123.5138.7-73.20000105.8
386A22.4Very low24.9Very low86 Ų86124.5 Ų124.571%0.71177%0.772SS**  cis68.5145.529.700000113.6
387V24.8Very low25.1Very low138 Ų138121.9 Ų121.984%0.83677%0.769SS**  trans69.8118.3-161-168.60000111.5
388V24.4Very low25.3Very low123 Ų123121.1 Ų121.175%0.74577%0.771SS**  cis121.5129.711.5165.40000110.3
389F23Very low25.5Very low170 Ų170124.5 Ų124.575%0.74678%0.784SS**  trans-7.3150.3163.1-67.3-85.3000121.2T391F389-T391 HydrophobicContact CB-CG2 4.01Å; F389-T391 HydrophobicContact CD1-CG2 4.22Å; F389-T391 HydrophobicContact CG-CG2 4.34Å
390P28Very low25.7Very low121 Ų121123.2 Ų123.279%0.78678%0.779SS**  -124.3137.586.431.8-22.4000112.8
391T25.6Very low25.9Very low107 Ų107125.3 Ų125.366%0.65679%0.788SS**  cis80.89648.360.40000116.8F389F389-T391 HydrophobicContact CB-CG2 4.01Å; F389-T391 HydrophobicContact CD1-CG2 4.22Å; F389-T391 HydrophobicContact CG-CG2 4.34Å
392S30Very low25.9Very low119 Ų119130.1 Ų130.183%0.83279%0.79SS**  trans-166.974.7152.857.80000108.7
393L25.6Very low25.9Very low171 Ų171130 Ų13090%0.89579%0.786SS**  72.683.966.7-164.482.9000114.4
394S28.6Very low25.7Very low107 Ų107131 Ų13175%0.74878%0.783SS**  trans-153.5114.7147.657.40000110.9
395Q25.8Very low25.8Very low184 Ų184131.6 Ų131.686%0.8678%0.784SS**  trans26128.3135.4-70.4170.4-1.800118.8
396T26.4Very low25.8Very low140 Ų140130.3 Ų130.386%0.85978%0.781SS**  cis-162.9145.61.2-58.70000108.9
397G27.9Very low25.9Very low69 Ų69134 Ų13471%0.71179%0.789SS**  trans133.7105.3160.500000117.8
398A27.4Very low26Very low95 Ų95134.5 Ų134.579%0.78579%0.792SS**  trans39.582.2146.500000121.7
399L26.5Very low26Very low171 Ų171132 Ų13290%0.89579%0.792SS**  trans62.9156.8136-83.882.9000120.9
400P26.2Very low26.2Very low103 Ų103128.8 Ų128.867%0.66979%0.79SS**  trans-137172.1-134.342-24.2000119.1
401T26.5Very low26.1Very low131 Ų131129.4 Ų129.480%0.80479%0.791SS**  trans65.696.5147.544.10000121.3
402R23.5Very low26.2Very low245 Ų245136 Ų13693%0.92580%0.804SS**  trans-81.2135.2146161.8-172.2-179.3-136.57.4109.4
403P25.2Very low26.1Very low106 Ų106134.8 Ų134.869%0.68880%0.796SS**  -153.2147.8123.338.2-20.5000118.5
404S23.8Very low26.1Very low91 Ų91129.9 Ų129.964%0.63679%0.787SS**  trans44.9112143.464.70000124.8
405I24.7Very low26.1Very low171 Ų171132.4 Ų132.488%0.87779%0.791SS**  55.5115116.6-55.9156.7000119.8
406A25.3Very low26Very low89 Ų89129.5 Ų129.574%0.73679%0.786SS**  -169.7143.7118.300000113.4
407N25.3Very low26Very low164 Ų164129 Ų12988%0.87778%0.782SS**  trans46.885.4164.5-72.41.9000120
408T27.3Very low25.8Very low148 Ų148130.9 Ų130.991%0.90878%0.784SS**  trans-70.7128.4155.447.30000112.5
409G24.3Very low25.9Very low71 Ų71131.8 Ų131.873%0.73278%0.782SS**  trans-110.4128.1145.700000109.6
410S26.9Very low25.8Very low102 Ų102130.7 Ų130.771%0.71378%0.777SS**  trans-178.8135.2168.3-78.20000106.2
411V26.4Very low25.8Very low134 Ų134131.7 Ų131.781%0.81278%0.782SS**  cis70.493.341.4-172.30000111.7
412W26Very low25.7Very low245 Ų245129 Ų12993%0.92877%0.768SS**  trans-149.5149.6174.5-102.368.3000109.4
413S29.6Very low25.7Very low94 Ų94126.4 Ų126.466%0.65776%0.764SS**  cis-171.8150.6-45.2-108.80000110.6
414G25.3Very low25.8Very low68 Ų68127.9 Ų127.970%0.70176%0.763SS**  trans16582.8176.500000110.2
415L27.1Very low25.7Very low159 Ų159127.7 Ų127.783%0.83276%0.761SS**  59.5119.969.6-59.1174.8000111.4
416T24.7Very low26.1Very low124 Ų124123.5 Ų123.576%0.76175%0.745SS**  cis-135.7171.62.750.50000108.6
417V27.2Very low26.1Very low129 Ų129123.6 Ų123.678%0.78274%0.741SS**  cis-151.9160.441.1172.50000110
418S23.7Very low26.3Very low108 Ų108121.6 Ų121.676%0.75574%0.739SS**  trans-124158.8170.3-50.40000110.8
419P27.9Very low26.2Very low114 Ų114117.8 Ų117.874%0.7473%0.73SS**  -146.1161.391.437.8-21.9000116.5
420N24.6Very low26.2Very low148 Ų148122.6 Ų122.679%0.79174%0.739SS**  trans19.5143.1150.6-51.3-26.5000120.2
421V26.4Very low26Very low125 Ų125124.2 Ų124.276%0.75874%0.744SS**  cis-154.4121.543.2-158.60000106.8
422S24.9Very low25.9Very low73 Ų73124.5 Ų124.551%0.5175%0.746SS.*  55.9140.268.573.90000115.4
423F24.2Very low25.6Very low191 Ų191116.4 Ų116.484%0.83873%0.732SS**  cis-134.1-157.4-0.3-57.1-94.2000108.6
424M25.9Very low25.3Very low138 Ų138118.9 Ų118.968%0.6874%0.736SS**  cis-160.3175.7-0.4-148.1178.273.800110.7
425S22.8Very low25.2Very low86 Ų86122.7 Ų122.760%0.60174%0.735SS**  trans-147.4-165.5-179.5-47.40000109.9
426P32Very low25.1Very low83 Ų83118 Ų11854%0.53972%0.716SS.*  cis-145.3179-4.239.4-17.4000118.7
427S25.7Very low25Very low92 Ų92115.7 Ų115.764%0.64371%0.705SS**  trans70.6139.8136.264.30000126.5
428S28.7Very low25.2Very low121 Ų121118.3 Ų118.385%0.84671%0.708SS**  trans71.3152.8148.572.70000119.9
429G25.8Very low25.1Very low69 Ų69118.9 Ų118.971%0.71171%0.712SS**  cis142.9106.5-1000000113.9
430N25.5Very low25Very low171 Ų171120.3 Ų120.391%0.91471%0.713SS**  trans-148.4148.3173.9-110.8-32.7000111.4
431V21.6Very low24.9Very low137 Ų137120.7 Ų120.783%0.8371%0.714SS**  trans-123.8134.7-176.5175.90000110.3
432V23.7Very low24.9Very low139 Ų139120.8 Ų120.884%0.84271%0.714SS**  trans-128.6137.4166.3-177.40000108
433A20.9Very low24.8Very low76 Ų76125.2 Ų125.263%0.62873%0.727SS**  trans-109.6-153.9-178.400000111
434I23Very low24.7Very low145 Ų145121.8 Ų121.874%0.74472%0.722SS**  trans84.3141.2178-52.5163.2000113.3
435Q23.4Very low24.7Very low148 Ų148124 Ų12469%0.69273%0.73SS**  cis-164.4151.4-40.6-150.3-174.2-96.400110
436S24.1Very low24.7Very low61 Ų61123.3 Ų123.343%0.42773%0.726SS.*  trans36130.7147.263.30000123
437S24.1Very low24.4Very low76 Ų76125.4 Ų125.453%0.53173%0.732SS.*  trans61.7105.5134.666.20000121
438Q29.7Very low24.3Very low183 Ų183128.3 Ų128.386%0.85574%0.74SS**  trans-137.1139131.5-71.5-164.32.800110.1
439S21.6Very low24.3Very low120 Ų120127.3 Ų127.384%0.83973%0.731SS**  trans-106.6126.2171-53.70000108.7
440L26.6Very low24.4Very low145 Ų145129.8 Ų129.876%0.75973%0.731SS**  trans-135.9130.1173.8-97.1172000112.6
441I22Very low24.3Very low156 Ų156130.2 Ų130.280%0.873%0.728SS**  trans-95.6118.2167-62.9164.5000106.4
442V26.7Very low24.6Very low126 Ų126128.6 Ų128.676%0.76472%0.723SS**  trans-138.394.2161.3-172.60000105
443Q22.9Very low24.6Very low166 Ų166127.5 Ų127.578%0.77672%0.716SS**  75.9125.567.3-172.4168.2-23.600112.3
444T22.1Very low24.9Very low120 Ų120131.9 Ų131.974%0.73673%0.728SS**  trans-77.6139.3176.346.10000111.9
445Q26.8Very low25.1Very low183 Ų183128.6 Ų128.686%0.85572%0.722SS**  trans-148.4104.3163-165.91729.500103.7
446S23.1Very low25.1Very low72 Ų72128 Ų12850%0.50373%0.729SS.*  cis58.7131.125.6750000114.2
447D24.7Very low25.3Very low127 Ų127130.3 Ų130.368%0.67975%0.745SS**  trans75.8101.3175.8-45.9-33.3000114.7
448L24.6Very low25.4Very low154 Ų154131.3 Ų131.381%0.80675%0.752SS**  90.3159.586.6-95.6110.6000110.8
449P27.4Very low25.2Very low100 Ų100127.3 Ų127.365%0.64974%0.744SS**  cis-131.8-138.1-48.237.1-17000110.2
450V27.8Very low25.4Very low120 Ų120129.1 Ų129.173%0.72774%0.743SS**  trans71.3119.5173-1710000114.6
451Q23.7Very low25.4Very low180 Ų180128.8 Ų128.884%0.84174%0.743SS**  cis87.263.518.9-153.4-178.3-1.200117.1
452S28.5Very low25.8Very low104 Ų104126.3 Ų126.373%0.72774%0.736SS**  trans-151.8115.5153.953.30000107.5
453T23.4Very low25.8Very low115 Ų115125.3 Ų125.371%0.70674%0.735SS**  cis77.9142.641.7-48.80000112.3
454I26.4Very low26Very low169 Ų169124.7 Ų124.787%0.86774%0.737SS**  trans77.2127.6-171.7-47.9165.2000111.6
455A28.3Very low26.3Very low76 Ų76125.7 Ų125.763%0.62874%0.735SS**  cis-142.9143.7-8.700000107.1
456T23.6Very low26.4Very low135 Ų135124.5 Ų124.583%0.82873%0.731SS**  55.284.559.164.30000116.6
457S26.7Very low26.7Very low109 Ų109124.2 Ų124.276%0.76273%0.729SS**  trans-176.1142.6144.657.60000114.5
458S27.5Very low27Very low98 Ų98125.7 Ų125.769%0.68574%0.736SS**  trans31.1114.6142.758.80000120.1
459S25Very low27.1Very low98 Ų98127.4 Ų127.469%0.68573%0.732SS**  89.7136.658.573.50000115.3
460L25.6Very low27.1Very low158 Ų158126.8 Ų126.883%0.82773%0.73SS**  trans68.5159.6170.2-52.5168.9000114
461N27Very low27Very low139 Ų139130.4 Ų130.474%0.74374%0.736SS**  cis-146.4151.74.6-140.510.1000110.1
462P30.6Very low27.1Very low103 Ų103127.5 Ų127.567%0.66974%0.736SS**  trans-96.6174.6175.238.8-33.4000112.4
463S25.4Very low27.2Very low106 Ų106126.4 Ų126.474%0.74174%0.74SS**  trans168165.6134.9-78.80000114.5
464L28.2Very low27.4Very low153 Ų153127 Ų12780%0.80175%0.749SS**  trans71.6105.2169.9-46.8-179.1000115.1
465M28.9Very low27.5Very low141 Ų141124.1 Ų124.170%0.69574%0.744SS**  73.1143.652.7-59.5-176.661.200113.5
466M28.5Very low27.5Very low157 Ų157125 Ų12577%0.77375%0.745SS**  cis-114.1145.319.5-93.769.7173.100113.6
467S29.8Very low27.6Very low67 Ų67125.5 Ų125.547%0.46974%0.743SS.*  55.7142.894.9-67.30000115.6
468L29.6Very low27.7Very low158 Ų158127 Ų12783%0.82775%0.748SS**  cis-112.2144.622.1-56.9158.9000111.3
469R28.3Very low27.7Very low190 Ų190126 Ų12672%0.71775%0.753SS**  60.2122.854.3-79.2-162-90.3-175.1-2.7112.9
470S26.7Very low27.9Very low86 Ų86126.9 Ų126.960%0.60176%0.757SS**  cis-149.1-171.1-4.5-61.10000108
471F26.4Very low28Very low197 Ų197124.4 Ų124.486%0.86475%0.753SS**  cis-155.6-178.610.5-123.9-50.3000109.9
472S25.5Very low28Very low119 Ų119125.7 Ų125.783%0.83276%0.759SS**  trans-146.3136.3154.6-68.50000107.8
473G29.4Very low27.9Very low80 Ų80125.4 Ų125.483%0.82576%0.757SS**  trans-175.2131-177.200000112.4
474S27.6Very low27.9Very low128 Ų128128 Ų12890%0.89576%0.761SS**  trans-108.6111.7-178.5-56.60000111
475S28.9Very low27.8Very low108 Ų108125.6 Ų125.676%0.75576%0.758SS**  trans-177.1139.3151.353.30000112.9
476S28.1Very low27.7Very low94 Ų94123.2 Ų123.266%0.65776%0.761SS**  trans52.5116.2149.6610000121.5
477N25.8Very low27.5Very low146 Ų146119.8 Ų119.878%0.78176%0.757SS**  trans85.2141.7137-61.5-5.1000121.7
478T29.4Very low27.3Very low140 Ų140124.5 Ų124.586%0.85978%0.777SS**  trans54.196.5159.548.30000117.8
479G28Very low27.1Very low78 Ų78125.9 Ų125.980%0.80478%0.779SS**  trans-80.9-129.7168.900000113
480P29.2Very low26.8Very low117 Ų117122.9 Ų122.976%0.7678%0.782SS**  cis-127.217711.842.4-28.6000115.2
481S27.7Very low26.7Very low106 Ų106125.4 Ų125.474%0.74179%0.793SS**  trans70.4152.4156.272.50000121
482L25.4Very low26.6Very low165 Ų165121.6 Ų121.686%0.86478%0.781SS**  cis-156170.7-33.1-101.5169000105.3
483P29.4Very low26.4Very low97 Ų97120.7 Ų120.763%0.6378%0.781SS**  trans-118.8-158.2-149.935.4-16.6000114
484L25.6Very low26.1Very low160 Ų160125.3 Ų125.384%0.83878%0.779SS**  trans79.7148.2171-47.3166.8000113.7
485S25.7Very low25.8Very low104 Ų104126.3 Ų126.373%0.72777%0.774SS**  cis-152.6171.5-5.5-153.80000111.9
486A26.1Very low25.7Very low91 Ų91128.9 Ų128.975%0.75278%0.779SS**  trans44.6124.4149.500000121.2
487A24.8Very low25.4Very low85 Ų85128.2 Ų128.270%0.70278%0.778SS**  trans-52.1150.5167.800000115.5
488N25.7Very low25.3Very low165 Ų165129.1 Ų129.188%0.88278%0.783SS**  trans-153.2125.7141.7-100-47.9000109.5T490N488-T490 PolarHBondContact O-N 3.08Å
489H25.6Very low25.1Very low188 Ų188127.7 Ų127.787%0.8778%0.779SS**  trans-82.2108.4178.1-90.4-73.6000110.9V491H489-V491 PolarHBondContact O-N 2.77Å; H489-V491 VanDerWaalsContact O-N 3.11Å
490T22.8Very low25Very low126 Ų126131.3 Ų131.377%0.77378%0.78SS**  trans-67.4103.2177.9-6.80000111.5N488 L492N488-T490 PolarHBondContact O-N 3.08Å; T490-L492 PolarHBondContact O-N 3.35Å
491V23.7Very low24.9Very low139 Ų139132.8 Ų132.884%0.84279%0.786SS**  trans-83.3101.5159.5178.80000107.4H489 A493H489-V491 PolarHBondContact O-N 2.77Å; H489-V491 VanDerWaalsContact O-N 3.11Å; V491-A493 PolarHBondContact O-N 3.08Å
492L24.1Very low24.9Very low118 Ų118135.8 Ų135.862%0.61879%0.789SS**  trans-67.9112.3-179.7-72.4163.9000110.8T490 F494T490-L492 PolarHBondContact O-N 3.35Å; L492-F494 HydrophobicContact CB-CD2 4.16Å; L492-F494 HydrophobicContact CB-CE2 3.57Å; L492-F494 HydrophobicContact CB-CZ 4.05Å; L492-F494 HydrophobicContact CD1-CE2 4.2Å; L492-F494 HydrophobicContact CD1-CZ 4.08Å; L492-F494 HydrophobicContact CG-CE2 4.5Å; L492-F494 PolarHBondContact O-N 3.24Å
493A21.1Very low24.9Very low100 Ų100132.3 Ų132.383%0.82678%0.778SS**  trans-78.4107.5168.800000109.7V491V491-A493 PolarHBondContact O-N 3.08Å
494F24.2Very low24.7Very low176 Ų176134.1 Ų134.177%0.77279%0.787SS**  trans-90.5108.4172.1-71-79.3000110.3L492L492-F494 HydrophobicContact CB-CD2 4.16Å; L492-F494 HydrophobicContact CB-CE2 3.57Å; L492-F494 HydrophobicContact CB-CZ 4.05Å; L492-F494 HydrophobicContact CD1-CE2 4.2Å; L492-F494 HydrophobicContact CD1-CZ 4.08Å; L492-F494 HydrophobicContact CG-CE2 4.5Å; L492-F494 PolarHBondContact O-N 3.24Å
495N21.6Very low25Very low149 Ų149131.4 Ų131.480%0.79778%0.779SS**  trans-99.9110170-178.317.9000109.1
496L25.6Very low25Very low163 Ų163133.2 Ų133.285%0.85379%0.786SS**  trans-134.1112.4170.8-75.8175.5000109.2
497A22.7Very low24.9Very low79 Ų79134.6 Ų134.665%0.65379%0.785SS**  trans-95.4167.4170.600000110.7
498N23.9Very low24.8Very low166 Ų166135.8 Ų135.889%0.88879%0.787SS**  trans67.8151.7-179.6-64.1-20.1000114.7
499S25.2Very low24.7Very low110 Ų110133.3 Ų133.377%0.76978%0.778SS**  cis-146.7170.56.437.60000112.6
500N24.4Very low24.7Very low153 Ų153131.3 Ų131.382%0.81877%0.774SS**  trans-70.1145.9172-48.8-65.8000112.9
501V27.7Very low24.8Very low148 Ų148130.6 Ų130.690%0.89777%0.769SS**  trans-143.3155.6144.2-179.30000109.6
502H28.2Very low24.9Very low170 Ų170130.6 Ų130.679%0.78777%0.77SS**  trans-82.1139.1-168-70.3-22.9000117.6
503S25.4Very low25Very low92 Ų92128.2 Ų128.264%0.64377%0.774SS**  31.2124.2114.4-41.90000122.6
504T25.9Very low25.1Very low134 Ų134130.3 Ų130.382%0.82277%0.768SS**  72169.9129.962.70000119.9
505P30.1Very low25.1Very low104 Ų104130.3 Ų130.368%0.67577%0.768SS**  -139.3165.8-57.440.3-25.6000114.4
506T26.2Very low25.3Very low141 Ų141129.2 Ų129.287%0.86577%0.767SS**  trans-151.1104.3160-0.60000115.5
507T24.2Very low25.2Very low120 Ų120127.8 Ų127.874%0.73676%0.76SS**  trans14161.8131-26.10000122.5
508C23Very low25.6Very low110 Ų110129.8 Ų129.874%0.74377%0.767SS**  trans91.4134.7159.9-58.60000116.6
509T24.2Very low25.7Very low113 Ų113127.4 Ų127.469%0.69376%0.758SS**  cis166.2163.1-2525.50000105.9
510N25Very low25.7Very low146 Ų146132.4 Ų132.478%0.78176%0.76SS**  trans87.6151.1166.5-63.6-14000118.7
511V25Very low25.7Very low111 Ų111131.6 Ų131.667%0.67375%0.751SS**  cis172.8146.6-37133.70000107
512T24.9Very low25.6Very low139 Ų139130.4 Ų130.485%0.85374%0.739SS**  trans58.3155.5-178.544.30000114.9
513G25.8Very low25.5Very low68 Ų68127.3 Ų127.370%0.70173%0.728SS**  cis-165.6-163-3.700000107
514M23.7Very low25.4Very low145 Ų145127.6 Ų127.671%0.71473%0.73SS**  cis-170.2133-11.2-95.7-114-60.400105.9
515F23.9Very low25.4Very low175 Ų175127 Ų12777%0.76873%0.731SS**  trans64.5166.8159.6-67.5-135.1000114.4
516T27.4Very low25.1Very low127 Ų127129.4 Ų129.478%0.77974%0.738SS**  cis-143.5157.2-5.8-14.90000109.9
517N23.3Very low25.3Very low132 Ų132127.7 Ų127.771%0.70673%0.73SS**  trans-108.1137.1176.5-175-2.6000110.7
518P30.7Very low25.4Very low121 Ų121128 Ų12879%0.78673%0.732SS**  trans-118.8114.4157.534.1-22.6000113.1
519V24.6Very low25.5Very low116 Ų116127.9 Ų127.970%0.70373%0.732SS**  trans-74.6142.1168.9172.10000111.1
520R26.5Very low25.5Very low215 Ų215128.7 Ų128.781%0.81174%0.739SS**  trans170.2157148-92.9151.9-156.8-82.211.7110.3
521Q23.9Very low25.4Very low137 Ų137128.6 Ų128.664%0.6474%0.738SS**  cis-177.2162.3-31.4-142.7-178.1-28.800107.7
522I25.7Very low25.4Very low123 Ų123130.5 Ų130.563%0.63174%0.742SS**  trans71.1144.2158-58.9157.7000115.9
523N26.1Very low25.3Very low105 Ų105129.1 Ų129.156%0.56173%0.734SS**  cis-162.4170.6-36.6-107.13.8000111.2V682N523-V682 WeakPolarHBondContact ND2-CG2 3.24Å
524S24.1Very low25.2Very low98 Ų98133.3 Ų133.369%0.68573%0.728SS**  trans-30.1146.116556.20000120.2
525S24.9Very low25.2Very low120 Ų120130.2 Ų130.284%0.83973%0.725SS**  -172.6139.8115.248.80000115.1
526N24.7Very low25.3Very low156 Ų156129.4 Ų129.483%0.83473%0.729SS**  trans-110.5177.2155.3-126.5-14.1000105.4
527P30.1Very low25.4Very low105 Ų105126.6 Ų126.668%0.68273%0.726SS**  cis-117.8-152.9-13.137.8-19.2000110.7
528T26Very low25.7Very low127 Ų127126.2 Ų126.278%0.77973%0.731SS**  179.2153.876.5-49.70000110.4
529S24.1Very low25.3Very low107 Ų107126 Ų12675%0.74873%0.732SS**  trans-82.8176.5175.4-39.30000112.5
530P25.6Very low25.4Very low129 Ų129125.1 Ų125.184%0.83874%0.736SS**  -142.5-177.466.138.1-18000115.7
531L23Very low25.5Very low145 Ų145121.2 Ų121.276%0.75974%0.737SS**  trans-123.5135.8-172.1167.8160.3000109.7V533L531-V533 HydrophobicContact CD2-CG2 3.9Å
532I24.4Very low25.7Very low150 Ų150117.7 Ų117.777%0.76974%0.736SS**  trans-131.8124.5169.6-63.9179.3000109.7
533V23.3Very low25.8Very low111 Ų111121.5 Ų121.567%0.67374%0.744SS**  trans-99148.5174.7170.20000109.5L531L531-V533 HydrophobicContact CD2-CG2 3.9Å
534R23Very low25.9Very low156 Ų156123.7 Ų123.759%0.58975%0.754SS**  trans-150.6106.8160.5-143.5170-77.1-175.3-7.1112.8R824 I825R534-R824 VanDerWaalsContact NH1-C 3.29Å; R534-R824 PolarHBondContact NH1-O 3.32Å; R534-I825 WeakPolarHBondContact CD-O 3.47Å; R534-I825 PolarHBondContact NH1-O 3.48Å
535A24Very low26.1Very low79 Ų79123.8 Ų123.865%0.65375%0.753SS**  trans-90.2158.7166.900000110.6
536N25.8Very low26.1Very low158 Ų158125.2 Ų125.285%0.84575%0.751SS**  trans-176.9145.9144.3-93.8-37.7000110
537G29.5Very low26.4Very low69 Ų69123.9 Ų123.971%0.71175%0.749SS**  trans-116.7-176.9167.800000111.6
538P28.7Very low26.2Very low124 Ų124123.6 Ų123.681%0.80575%0.75SS**  trans-125.2146.5137.835.9-27.4000110.1
539S24.2Very low26.3Very low116 Ų116123.8 Ų123.881%0.81175%0.751SS**  cis75.99228.7-1570000115
540A26.5Very low26.3Very low97 Ų97125.4 Ų125.480%0.80276%0.756SS**  trans-153.997.5160.300000106.6
541V27.2Very low26.5Very low134 Ų134128 Ų12881%0.81276%0.759SS**  83.3119.276.3167.80000112.3
542G28.8Very low26.8Very low62 Ų62124.3 Ų124.364%0.63976%0.755SS**  trans168.469.9176.500000116.7
543Y28.6Very low27.1Very low203 Ų203123.4 Ų123.480%0.79676%0.759SS**  trans47127.9155.1-51.4-82.8000120.6
544I26.6Very low27.4Very low151 Ų151124.8 Ų124.877%0.77477%0.768SS**  cis71.5135.540.5-56.4173.6000111.8
545P28.5Very low27.6Very low101 Ų101122.5 Ų122.566%0.65678%0.776SS**  cis-130.3177.412.625.3-0.6000117.4
546N25.3Very low28Very low149 Ų149125.7 Ų125.780%0.79778%0.781SS**  trans29.6154.1136-48.5-9.5000121
547T31Very low28.3Very low128 Ų128125.2 Ų125.279%0.78578%0.778SS**  cis-151.3165.438.347.90000115.4
548S26.8Very low28.4Very low100 Ų100129.1 Ų129.170%0.69978%0.775SS**  trans-25.7160.815758.10000118.5
549T28.3Very low28.3Very low131 Ų131128.8 Ų128.880%0.80477%0.773SS**  cis-149.4167.437.940.70000115
550V24.1Very low28.6Very low140 Ų140132 Ų13285%0.84877%0.773SS**  trans-100.9135.6170.4173.30000111.5
551M29.9Very low28.7Very low185 Ų185134 Ų13491%0.91177%0.77SS**  trans171.5153.4157.1-98.1-178.8-63.500106.6
552G28.9Very low29Very low66 Ų66135.4 Ų135.468%0.6877%0.772SS**  cis173.6136.7-5.800000107.6
553P29.9Very low28.9Very low132 Ų132137.1 Ų137.186%0.85777%0.774SS**  trans-93.3138.6-168.534.4-33.7000114
554T30.7Very low29.1Very low140 Ų140131.2 Ų131.286%0.85978%0.775SS**  trans-136140.6163.749.70000111.8
555S26.6Very low29.1Very low107 Ų107131.8 Ų131.875%0.74878%0.78SS**  trans-63.4169.5174.751.20000114
556L31.7Very low29.3Very low147 Ų147133.8 Ų133.877%0.7779%0.79SS**  -175.2114.9126.1-97.9167.3000111.8
557L31.7Very low29.5Very low147 Ų147129.7 Ų129.777%0.7778%0.784SS**  trans63.3151.3154.4-49.9174000117.6
558K31.7Very low29.5Very low151 Ų151131.7 Ų131.766%0.65779%0.789SS**  cis-155129.40.4-141.1172.6-178.4178.80108.8F560K558-F560 HydrophobicContact CD-CE2 3.99Å; K558-F560 HydrophobicContact CD-CZ 4.22Å; K558-F560 HydrophobicContact CG-CE2 4.42Å
559P28.1Very low29.4Very low117 Ų117131.9 Ų131.976%0.7679%0.79SS**  trans-91.4155.4164.935.5-31.8000111.1
560F30.7Very low29.5Very low184 Ų184130.7 Ų130.781%0.80779%0.787SS**  trans-130.4139161.9-80.2-73.4000109.8K558K558-F560 HydrophobicContact CD-CE2 3.99Å; K558-F560 HydrophobicContact CD-CZ 4.22Å; K558-F560 HydrophobicContact CG-CE2 4.42Å
561N27.1Very low29.7Very low140 Ų140129.7 Ų129.775%0.74978%0.781SS**  trans-150.7122.2-174.7179.716.9000108.4
562L33.2Very low29.7Very low162 Ų162126.3 Ų126.385%0.84878%0.776SS**  trans-141.9106.9168.7-67.4172.7000105.2
563S28.2Very low29.7Very low98 Ų98128.3 Ų128.369%0.68578%0.78SS**  63.89754.789.50000112.8
564G31.5Very low29.6Very low79 Ų79126.9 Ų126.981%0.81477%0.772SS**  trans-16887.9176.600000109.9
565N27.7Very low29.5Very low164 Ų164126.4 Ų126.488%0.87777%0.77SS**  trans-115.991.1-163.7-170.353.5000112.7
566T32.1Very low29.5Very low142 Ų142126.2 Ų126.287%0.87177%0.768SS**  trans-163.9145.716739.10000107.4
567G28.9Very low29.4Very low64 Ų64126 Ų12666%0.6677%0.773SS**  cis136.11386.300000109.5
568L30.9Very low29.2Very low170 Ų170124.3 Ų124.389%0.8977%0.768SS**  trans67.8128.5-174.5-43.4172.2000113.3
569S26.3Very low29.2Very low104 Ų104122.1 Ų122.173%0.72777%0.77SS**  cis87.787.925.585.40000116.5
570S28.9Very low29.2Very low106 Ų106124.5 Ų124.574%0.74177%0.77SS**  trans-169.4135.1147.956.30000114.3
571T29.7Very low29.2Very low118 Ų118123.1 Ų123.172%0.72477%0.77SS**  trans46.295143.158.20000121.5
572S28.4Very low29.3Very low115 Ų115122.4 Ų122.480%0.80477%0.765SS**  29.7113.5117.160.60000121.3
573S30.7Very low29Very low108 Ų108120.1 Ų120.176%0.75576%0.76SS**  trans-162.9137.2136.355.20000112.7
574S27.3Very low29.1Very low101 Ų101121.3 Ų121.371%0.70676%0.763SS**  trans43.3145.6150.651.30000124.3
575T28.7Very low28.9Very low130 Ų130124.6 Ų124.680%0.79876%0.762SS**  trans70.7113.5150.244.70000121.9
576S26.4Very low29.2Very low103 Ų103123.9 Ų123.972%0.7276%0.757SS**  trans55.2107.4131.6-177.90000121.2
577V29Very low29Very low143 Ų143120.3 Ų120.387%0.86774%0.742SS**  trans-134.8112133.1-175.90000109.3
578V28.7Very low29Very low111 Ų111123.1 Ų123.167%0.67375%0.748SS**  trans-92.9130.6169.8175.40000108.8H580V578-H580 PolarHBondContact O-N 3.03Å
579P30Very low28.9Very low106 Ų106119.2 Ų119.269%0.68874%0.74SS**  trans-70.1104.9173.428.4-33.1000110.1I581P579-I581 VanDerWaalsContact C-N 3.34Å; P579-I581 PolarHBondContact O-N 2.82Å
580H28.2Very low29.2Very low166 Ų166123.7 Ų123.777%0.76975%0.747SS**  trans-71.683.6-179.5-129.7-63.6000110.9V578 L582V578-H580 PolarHBondContact O-N 3.03Å; H580-L582 VanDerWaalsContact C-N 3.28Å; H580-L582 PolarHBondContact O-N 2.6Å
581I31Very low29.4Very low156 Ų156126.5 Ų126.580%0.875%0.752SS**  trans-74.387.7169.4-56.6-177.3000107.9P579P579-I581 VanDerWaalsContact C-N 3.34Å; P579-I581 PolarHBondContact O-N 2.82Å
582L29.5Very low29.5Very low124 Ų124125.9 Ų125.965%0.64975%0.749SS**  trans-58.7129.2170.8-80.5159.5000109.6H580 V584H580-L582 VanDerWaalsContact C-N 3.28Å; H580-L582 PolarHBondContact O-N 2.6Å; L582-V584 PolarHBondContact O-N 3.02Å
583P27.1Very low29.6Very low115 Ų115126.2 Ų126.275%0.74775%0.748SS**  trans-66.8102169.627.5-32.4000108.3N585P583-N585 PolarHBondContact O-N 3.37Å
584V30.6Very low29.7Very low123 Ų123128.4 Ų128.475%0.74575%0.75SS**  trans-65.999.3175.8-179.40000107.6L582 I586L582-V584 PolarHBondContact O-N 3.02Å; V584-I586 VanDerWaalsContact C-N 3.31Å; V584-I586 HydrophobicContact CG1-CG1 4.02Å; V584-I586 PolarHBondContact O-N 3.27Å
585N27.5Very low30Very low147 Ų147131.1 Ų131.179%0.78675%0.752SS**  trans-7682.3-173.1-165.2-4.5000109.8P583 A587P583-N585 PolarHBondContact O-N 3.37Å; N585-A587 PolarHBondContact O-N 2.88Å
586I32.8Very low30.1Very low150 Ų150131.4 Ų131.477%0.76976%0.756SS**  trans-73.869.1177.3-49.9-178.9000109.3V584V584-I586 VanDerWaalsContact C-N 3.31Å; V584-I586 HydrophobicContact CG1-CG1 4.02Å; V584-I586 PolarHBondContact O-N 3.27Å
587A27.7Very low30.3Very low67 Ų67130.7 Ų130.755%0.55475%0.751SS**  trans-59.7136.7166.500000109.1N585 A589N585-A587 PolarHBondContact O-N 2.88Å; A587-A589 PolarHBondContact O-N 2.88Å
588P29.3Very low30.4Very low123 Ų123131.6 Ų131.680%0.79975%0.749SS**  trans-64.2115178.825.9-33.4000109.5K590P588-K590 PolarHBondContact O-N 2.72Å
589A30.4Very low30.6Very low88 Ų88131.7 Ų131.773%0.72776%0.755SS**  trans-57.9114-179.100000110.4A587 L591A587-A589 PolarHBondContact O-N 2.88Å; A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.46Å
590K31Very low30.5Very low198 Ų198131 Ų13186%0.86176%0.759SS**  trans-6588.7170.5-76.4179.9177.2173.40108.9P588 T592P588-K590 PolarHBondContact O-N 2.72Å; K590-T592 PolarHBondContact O-N 3.41Å
591L32.7Very low30.6Very low164 Ų164128.3 Ų128.386%0.85976%0.758SS**  trans-70.885.3167.7-74.5176.5000109.2A589A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.46Å
592T33.1Very low30.5Very low105 Ų105127.2 Ų127.264%0.64476%0.759SS**  trans-51.5125.5163.6-33.10000108.2K590 L594K590-T592 PolarHBondContact O-N 3.41Å; T592-L594 VanDerWaalsContact C-N 3.25Å; T592-L594 PolarHBondContact O-N 3.43Å
593P30.3Very low30.7Very low122 Ų122126.1 Ų126.179%0.79276%0.762SS**  trans-72.486174.629.5-33.4000108.9Q595P593-Q595 PolarHBondContact O-N 2.84Å
594L32.5Very low31Very low154 Ų154124.9 Ų124.981%0.80676%0.756SS**  trans-55.7132.2176.7-74170.5000110.1T592T592-L594 VanDerWaalsContact C-N 3.25Å; T592-L594 PolarHBondContact O-N 3.43Å
595Q32.9Very low30.9Very low158 Ų158126.6 Ų126.674%0.73876%0.759SS**  trans-65.6144.6173.8-69.8170.2-112.100110.3P593 S597P593-Q595 PolarHBondContact O-N 2.84Å; Q595-S597 VanDerWaalsContact C-N 3.32Å; Q595-S597 PolarHBondContact O-N 2.87Å
596P31.9Very low31Very low137 Ų137123 Ų12389%0.8975%0.745SS**  trans-7094.4153.430.3-30.2000108
597S30.4Very low31Very low87 Ų87123.9 Ų123.961%0.60875%0.746SS**  trans-127.663.6-175.461.30000112.6Q595Q595-S597 VanDerWaalsContact C-N 3.32Å; Q595-S597 PolarHBondContact O-N 2.87Å
598I32.1Very low31.3Very low162 Ų162126.5 Ų126.583%0.83176%0.755SS**  trans-150.614116516.5173.9000108.1
599S30.9Very low31.2Very low113 Ų113131.5 Ų131.579%0.7976%0.758SS**  cis-132.8158.44.1-63.60000111.5
600A28.6Very low31.3Very low93 Ų93132.1 Ų132.177%0.76976%0.757SS**  trans-92.7158.517300000112.4
601S30.4Very low31.4Very low109 Ų109128.8 Ų128.876%0.76275%0.749SS**  trans-151.4104.8154.4-65.40000104.6
602T29.7Very low31.4Very low132 Ų132129.6 Ų129.681%0.8175%0.745SS**  53.2127.394.261.40000112.4
603S33.5Very low31.3Very low101 Ų101128.6 Ų128.671%0.70674%0.743SS**  cis-155.4-175.628.757.20000113.5
604S32.4Very low31.5Very low89 Ų89130.2 Ų130.262%0.62274%0.74SS**  trans67.8124.5154.531.70000117.7
605I30.1Very low31.5Very low160 Ų160128.2 Ų128.282%0.82173%0.73SS**  67.3125.162.3-62.8164.7000110.3
606S29.1Very low31.5Very low70 Ų70127.6 Ų127.649%0.4973%0.732SS.*  cis-177.8159.1-9.252.40000109.8
607H32.6Very low31.5Very low169 Ų169125.8 Ų125.878%0.78272%0.722SS**  trans65.2166.1164.3-47.8-50.9000114.5
608T33Very low31.3Very low122 Ų122127.7 Ų127.775%0.74873%0.73SS**  cis-152.8133.5-14.40.60000110.7
609R28.6Very low31.1Very low229 Ų229125.2 Ų125.286%0.86473%0.726SS**  42.2141.8129.5-155.1-177.6-171.4-136.91.2121.8
610S31.4Very low31Very low100 Ų100126.9 Ų126.970%0.69972%0.724SS**  trans81.5153.7157.388.40000116.6
611N33.7Very low30.9Very low129 Ų129127.1 Ų127.169%0.6972%0.721SS**  cis-164.3159.6-8.5-121.88.4000112.5
612F31.5Very low30.7Very low180 Ų180126.5 Ų126.579%0.78972%0.716SS**  trans65.5169158-77.9-134.5000118.5
613S32.8Very low30.6Very low85 Ų85127.8 Ų127.859%0.59471%0.713SS**  -179.9174.5-68.854.30000111.2
614Q34Very low30.4Very low155 Ų155133.5 Ų133.572%0.72472%0.719SS**  trans86.9115.6156.5-73.5-165.812.800122.9
615N32.7Very low30.4Very low113 Ų113135 Ų13560%0.60472%0.719SS**  94.3118.9125.2-62.6-4.1000122.7
616N32.5Very low30.6Very low145 Ų145132.8 Ų132.878%0.77572%0.715SS**  67.9149.2129.2-62-6.1000120.3
617S31.7Very low30.6Very low98 Ų98134.1 Ų134.169%0.68572%0.721SS**  cis-166.5155.3-15.347.20000111.3
618V27Very low30.5Very low128 Ų128131.5 Ų131.578%0.77672%0.721SS**  trans6.2122.4149.5-171.80000117.8
619C28.1Very low30.3Very low110 Ų110131 Ų13174%0.74372%0.722SS**  -176.4123.6126.7-105.10000116.2
620I27.6Very low30.3Very low147 Ų147126.4 Ų126.475%0.75471%0.714SS**  48.2110.3117.5-57.7178.6000119.4
621S26.5Very low30.3Very low99 Ų99130.4 Ų130.469%0.69272%0.719SS**  trans70.1130.4133.5-155.90000122.6
622S25.9Very low30.1Very low96 Ų96128.6 Ų128.667%0.67172%0.716SS**  trans80.1145.6141.5-680000122.7
623H27.9Very low30.1Very low158 Ų158127.8 Ų127.873%0.73172%0.715SS**  trans75123.3149.6-77.6-42.8000122.5
624R29.2Very low30Very low221 Ų221130.2 Ų130.283%0.83473%0.729SS**  trans81.8113.7136.6-67.9168.6-176.1-1192.1119.5
625L32.4Very low29.8Very low122 Ų122127.1 Ų127.164%0.63972%0.724SS**  trans-51.8154.7144.1-67.8146.6000110.8L962L625-L962 HydrophobicContact CD1-CD1 4.17Å; L625-L962 HydrophobicContact CD1-CD2 4.02Å; L625-L962 HydrophobicContact CD2-CD1 4.19Å
626P35Very low29.7Very low112 Ų112132.7 Ų132.773%0.72774%0.737SS**  -147.3131.7102.537-20.7000116.9
627T29.4Very low29.8Very low99 Ų99135.9 Ų135.961%0.60774%0.744SS**  trans44.8141.2131.365.80000124.4
628S29.3Very low29.8Very low114 Ų114142.7 Ų142.780%0.79775%0.754SS**  trans7715713975.30000120
629S29.7Very low30Very low110 Ų110140.9 Ų140.977%0.76975%0.753SS**  cis-179.5-163.4-27.7-171.40000108.5
630I28.8Very low30.3Very low133 Ų133146.6 Ų146.668%0.68276%0.759SS**  trans82.8138.1155.9-23.1178.5000118.4
631F31.3Very low30.7Very low184 Ų184147.4 Ų147.481%0.80776%0.757SS**  trans71.8139.2171.5-62.3-79.5000119
632S29.8Very low30.9Very low91 Ų91149.2 Ų149.264%0.63675%0.754SS**  cis-170.4138.8-30.5-115.60000112.6
633Q30.4Very low31.2Very low163 Ų163153.1 Ų153.176%0.76276%0.762SS**  trans60.2138.3161.8-54.3-171.930.800119.7
634P31.5Very low31.5Very low137 Ų137153 Ų15389%0.8977%0.766SS**  trans-131.8116.2133.533.9-23.2000112.1
635S28.5Very low31.3Very low89 Ų89146.2 Ų146.262%0.62276%0.757SS**  trans-151.9147.9170.386.50000115.1
636R31.9Very low31Very low231 Ų231145.8 Ų145.887%0.87277%0.765SS**  trans59.1103.7164.6-62.8-179.7171.2-168.90.4119.8
637K34.8Very low30.7Very low211 Ų211145 Ų14592%0.91776%0.761SS**  -174.9127.4120-95.1152-173.7177.40107.7
638R31.5Very low30.8Very low242 Ų242149.5 Ų149.591%0.91377%0.773SS**  cis109.3130.711.1-165.6-176.1-150.2-144.17.5113.1
639A31.6Very low30.7Very low90 Ų90148.7 Ų148.774%0.74477%0.767SS**  trans76.9150.6178.600000115.2
640R34.1Very low30.5Very low229 Ų229147.9 Ų147.986%0.86476%0.762SS**  cis-111.2145.21.9-85.7-175.7169.6168.4-4110.7
641K34.9Very low30.5Very low165 Ų165147.9 Ų147.972%0.71777%0.768SS**  60.1139.468.8-86.5-166.9167.3-1290112.2
642Q31.3Very low30.2Very low137 Ų137146.6 Ų146.664%0.6477%0.766SS**  cis-169.3177.9-11.2-130.7169.8-21.400107.5
643Q31.4Very low30.1Very low177 Ų177149.3 Ų149.383%0.82777%0.772SS**  trans66.8145.7172.2-67168.3-50.500115.5
644L34.2Very low29.9Very low155 Ų155145.9 Ų145.981%0.81276%0.762SS**  cis-136.6150.2-9.6-112161000109.3
645A25.7Very low29.6Very low79 Ų79145.1 Ų145.165%0.65376%0.757SS**  trans-129.1174168.200000108.4
646S26.2Very low29.5Very low114 Ų114147 Ų14780%0.79776%0.764SS**  trans72.8162.1175.6760000117.1
647S29.5Very low29Very low94 Ų94141.4 Ų141.466%0.65776%0.761SS**  trans69.8119.6-177.6-50.80000114.8
648F30.9Very low28.6Very low194 Ų194136.5 Ų136.585%0.85175%0.749SS**  cis-132.8148.4-2.8-65.4-85.9000107.9
649S27Very low28.2Very low97 Ų97130.9 Ų130.968%0.67874%0.741SS**  cis94.4125.733.5-163.60000114.6
650S25.3Very low27.9Very low93 Ų93131.8 Ų131.865%0.6574%0.741SS**  trans53.688.2145.558.10000121.5
651V29Very low27.5Very low134 Ų134125.3 Ų125.381%0.81273%0.732SS**  -144.2120.6122.8-175.80000105.3I653V651-I653 HydrophobicContact CG1-CG1 4.08Å
652M24.9Very low27Very low157 Ų157122.9 Ų122.977%0.77373%0.73SS**  cis82.646.913.2-89.1-67.6-7000117.7
653I26.8Very low26.7Very low147 Ų147122 Ų12275%0.75473%0.734SS**  trans-137.1111.4149.6-57.6178.4000104.8V651V651-I653 HydrophobicContact CG1-CG1 4.08Å
654T26.4Very low26.4Very low92 Ų92117.9 Ų117.956%0.56473%0.725SS**  cis85.7123.233.2-46.80000111.6
655P25.9Very low26Very low121 Ų121115.8 Ų115.879%0.78672%0.719SS**  trans-82.8156.8-16133.5-37.3000113.8
656V26.1Very low25.8Very low127 Ų127118 Ų11877%0.7773%0.725SS**  trans-126.8102.6173.8-179.40000109V658V656-V658 HydrophobicContact CG1-CG2 3.82Å
657S22.3Very low25.8Very low114 Ų114118.7 Ų118.780%0.79772%0.724SS**  trans-110.985.4170.356.80000109.3
658V26.1Very low25.6Very low109 Ų109118 Ų11866%0.66173%0.731SS**  trans-139.6120.9170.5-138.10000103.7V656V656-V658 HydrophobicContact CG1-CG2 3.82Å
659V23.2Very low25.3Very low124 Ų124115.3 Ų115.375%0.75273%0.725SS**  cis65.1140.847.6-171.40000110.5
660S24.2Very low25.3Very low108 Ų108115 Ų11576%0.75572%0.723SS**  trans69.4137.9-170-56.80000114.2
661S25.4Very low25.2Very low94 Ų94115.2 Ų115.266%0.65773%0.725SS**  cis-164.1178.2-9.750.60000110
662T25.1Very low25Very low113 Ų113115.7 Ų115.769%0.69372%0.722SS**  trans33.6128143.553.90000118.9
663T25.7Very low25.2Very low118 Ų118113.7 Ų113.772%0.72472%0.718SS**  cis-169.312325.11.30000106.5
664S24.5Very low25.1Very low91 Ų91113.5 Ų113.564%0.63672%0.719SS**  90.1166.293.574.20000114.7
665T25.3Very low25Very low112 Ų112112.8 Ų112.869%0.68772%0.718SS**  trans52.883.4156.4450000117
666T22.2Very low25Very low126 Ų126112 Ų11277%0.77372%0.715SS**  67.6102.487.462.10000115.5
667V26.7Very low25Very low127 Ų127110.1 Ų110.177%0.7771%0.707SS**  trans-136.295.1143.7-173.90000108.4L669V667-L669 HydrophobicContact CG1-CB 3.92Å; V667-L669 HydrophobicContact CG1-CD1 4.06Å; V667-L669 HydrophobicContact CG1-CG 4.06Å
668G25.2Very low25.2Very low79 Ų79111.6 Ų111.681%0.81471%0.705SS**  trans-101.995.7158.600000107.3
669L24.8Very low25.2Very low139 Ų139112.4 Ų112.473%0.72871%0.706SS**  trans-144.1146.6-179.4-79.1-178.8000110.2V667V667-L669 HydrophobicContact CG1-CB 3.92Å; V667-L669 HydrophobicContact CG1-CD1 4.06Å; V667-L669 HydrophobicContact CG1-CG 4.06Å
670S25.5Very low25.3Very low91 Ų91111 Ų11164%0.63670%0.702SS**  trans48.1118.9145.9-42.60000117.3
671S23.6Very low25.5Very low97 Ų97111.2 Ų111.268%0.67870%0.698SS**  40.1129.772.183.70000113.6
672L25Very low25.5Very low144 Ų144110.1 Ų110.175%0.75469%0.687SS**  -174.1164.3108.6-139.767000109.7
673V29Very low25.5Very low115 Ų115110 Ų11070%0.69769%0.691SS**  trans35108.1160.7-80.60000117.7
674N25.5Very low25.6Very low143 Ų143107.8 Ų107.877%0.76569%0.692SS**  cis41.9113.646.2-160.231.8000110.8
675S24.5Very low25.7Very low77 Ų77108.2 Ų108.254%0.53869%0.694SS.*  173.7170.286.1-62.70000108.8
676S25.4Very low25.7Very low103 Ų103114.2 Ų114.272%0.7270%0.704SS**  trans49135.313467.40000120.4
677S25.7Very low25.8Very low88 Ų88113 Ų11362%0.61570%0.701SS**  cis168.5175.40.848.40000107
678L25.6Very low25.9Very low145 Ų145112.9 Ų112.976%0.75970%0.7SS**  trans69.1148.4163.9-52.8165000113
679N26.3Very low26Very low126 Ų126116.9 Ų116.967%0.67470%0.702SS**  cis-148.1152.7-5-114.9-14.7000107.3
680S26.1Very low26.2Very low95 Ų95115.7 Ų115.766%0.66470%0.702SS**  58.913172.4-147.80000111.7
681V27.2Very low26.4Very low112 Ų112116.4 Ų116.468%0.67971%0.707SS**  cis-157.9140.510.898.50000107.3
682V25.6Very low26.5Very low71 Ų71118 Ų11843%0.4371%0.713SS.*  55.1146.796-169.30000115.6N523N523-V682 WeakPolarHBondContact ND2-CG2 3.24Å
683S26.9Very low26.7Very low111 Ų111116.8 Ų116.878%0.77671%0.714SS**  trans77.3141.4173.6-148.90000114.3
684G26.8Very low26.6Very low71 Ų71117 Ų11773%0.73272%0.716SS**  cis-174.8-172.31.400000108.1
685C26.3Very low26.4Very low100 Ų100117.1 Ų117.168%0.67672%0.716SS**  cis-166.7147.5-0.3-103.80000108.6
686R25.8Very low26.5Very low238 Ų238120 Ų12090%0.89873%0.73SS**  trans63.7166.2153.9-63.7171.3179.5-133.4-1.1116
687S24.6Very low26.4Very low101 Ų101119.6 Ų119.671%0.70673%0.733SS**  cis-162.3161.4-29.846.90000105.9
688V28.3Very low26.4Very low125 Ų125122.2 Ų122.276%0.75874%0.744SS**  -167.714759167.10000108.6
689L27.2Very low26.4Very low162 Ų162119.5 Ų119.585%0.84874%0.743SS**  trans-86142.6166.3-107.672.5000110.6
690P29.2Very low26.5Very low115 Ų115121.8 Ų121.875%0.74775%0.747SS**  -148.3171.499.231.3-11.4000113.7
691S28.7Very low26.6Very low106 Ų106123 Ų12374%0.74175%0.753SS**  cis-163153.1-14.244.60000111
692T26.3Very low26.5Very low130 Ų130122.4 Ų122.480%0.79875%0.749SS**  trans-62.9177.4155.346.70000111.3
693P30.2Very low26.6Very low118 Ų118126.2 Ų126.277%0.76677%0.766SS**  cis-135-152.115.342.4-19.3000112
694T25.3Very low26.5Very low121 Ų121128.1 Ų128.174%0.74276%0.762SS**  cis-154-176.3-0.2-153.50000113.1
695L22.8Very low26.4Very low145 Ų145130.7 Ų130.776%0.75977%0.766SS**  trans-51.4154.1168-52.5160.8000115.6
696V26Very low26.5Very low137 Ų137133.4 Ų133.483%0.8377%0.769SS**  -149.8138104.3170.50000108V698V696-V698 HydrophobicContact CG1-CG2 4.08Å
697A22.7Very low26.4Very low95 Ų95130.8 Ų130.879%0.78577%0.766SS**  trans-110.4141.1166.100000109.7
698V26.2Very low26.4Very low142 Ų142135.1 Ų135.186%0.86177%0.773SS**  trans-125143.8169.4-177.10000108.3V696V696-V698 HydrophobicContact CG1-CG2 4.08Å
699A25.8Very low26.3Very low89 Ų89133.2 Ų133.274%0.73677%0.771SS**  trans-95.7172.7-157.600000115.2
700K27.4Very low26.2Very low174 Ų174133.4 Ų133.476%0.75777%0.767SS**  trans-38152.3164.2-73.3169.3149.3-161.80113.4T702K700-T702 WeakPolarHBondContact CD-OG1 3.4Å; K700-T702 PolarHBondContact NZ-OG1 3.07Å
701P29.7Very low26.3Very low121 Ų121133.5 Ų133.579%0.78677%0.768SS**  -108.6129.911229.4-33.4000112.5
702T23.7Very low26Very low99 Ų99133 Ų13361%0.60776%0.76SS**  trans-88.7117.4167.8-51.20000107.8K700K700-T702 WeakPolarHBondContact CD-OG1 3.4Å; K700-T702 PolarHBondContact NZ-OG1 3.07Å
703I27.9Very low26.1Very low151 Ų151136.7 Ų136.777%0.77476%0.761SS**  trans-140.291.8161.8-54.3-179.1000104.9
704Q26.2Very low25.7Very low150 Ų150135.9 Ų135.970%0.70176%0.758SS**  68.8113.687.5-166.917411.600112.1
705P23.4Very low25.7Very low125 Ų125136.1 Ų136.181%0.81276%0.763SS**PPolyproline II helixtrans-81.6128-176.532.2-33.1000111.3
706H28.5Very low25.7Very low158 Ų158138.2 Ų138.273%0.73177%0.769SS**PPolyproline II helixtrans-100.7116.4169.6-108.2-66.1000111.5F708H706-F708 AromaticContact ND1-CD2 3.96Å
707Q24Very low25.8Very low182 Ų182138.1 Ų138.185%0.8577%0.768SS**PPolyproline II helixtrans-76.3124.1158.4-60168-77.900108.8
708F24.9Very low25.8Very low192 Ų192139 Ų13984%0.84276%0.764SS**  trans-175.4139.7156.4-84.6-70.5000106.1H706H706-F708 AromaticContact ND1-CD2 3.96Å
709A27.2Very low25.9Very low86 Ų86141.1 Ų141.171%0.71176%0.764SS**  cis-158.4170.3-20.400000108.7
710Q25Very low25.8Very low165 Ų165141.9 Ų141.977%0.77176%0.764SS**  trans-72.6148.4165-72.9-178.1-24.100110.8V712Q710-V712 HydrophobicContact CB-CG2 4.08Å; Q710-V712 HydrophobicContact CG-CG2 4.43Å
711P29.5Very low25.9Very low117 Ų117139.6 Ų139.676%0.7677%0.767SS**  -119.9151.898.30.120.5000111
712V23.8Very low25.5Very low95 Ų95140.8 Ų140.858%0.57676%0.762SS**  cis58.984.316.5-172.90000114.1Q710Q710-V712 HydrophobicContact CB-CG2 4.08Å; Q710-V712 HydrophobicContact CG-CG2 4.43Å
713Y27.2Very low25.6Very low209 Ų209142.4 Ų142.482%0.8277%0.765SS**  trans174.3104.7146.2-89.5-64.7000104.8
714S23.2Very low25.5Very low101 Ų101141 Ų14171%0.70677%0.769SS**  55.580.957.286.30000113.9
715C24.4Very low25.5Very low126 Ų126136.6 Ų136.685%0.85176%0.764SS**  trans-140.7127.3158.2-98.30000109.7
716Q23.3Very low25.6Very low189 Ų189136.8 Ų136.888%0.88377%0.768SS**  trans-79.9137.4170-62.8162.7-54.100108.8
717V27.1Very low25.6Very low134 Ų134133.5 Ų133.581%0.81276%0.763SS**  trans-133.984.6162.1-173.10000109.2
718T23.6Very low25.8Very low114 Ų114131.4 Ų131.470%0.69976%0.756SS**  trans-64.9138.8153.6460000109.5
719H28.1Very low26Very low186 Ų186131 Ų13186%0.86175%0.754SS**  trans-168.8146138.8-93.3-56.5000111
720S24.7Very low25.9Very low105 Ų105132.4 Ų132.473%0.73476%0.759SS**  trans-82.4170.3-178.1-42.70000112.1
721P27.6Very low26.1Very low126 Ų126127.5 Ų127.582%0.81875%0.752SS**  -124.7147.675.137.4-29.9000112.5
722H23.3Very low25.9Very low146 Ų146128.5 Ų128.568%0.67676%0.759SS**  cis76.195.838.2-167.2-77.8000115.4
723I25.1Very low26Very low133 Ų133130.4 Ų130.468%0.68277%0.771SS**  trans34.1100.3145.3-40.9-179.4000117.8
724S25.4Very low25.8Very low122 Ų122125.5 Ų125.585%0.85377%0.767SS**  -174.1147.8109-81.30000110.8
725G26.1Very low26Very low58 Ų58128 Ų12860%0.59878%0.777SS**  cis155.5123.5-5.300000111.2
726S26.6Very low26.1Very low129 Ų129128.3 Ų128.390%0.90277%0.771SS**  trans65.8161.9-176.685.90000114.7
727S27.8Very low26.2Very low89 Ų89122.5 Ų122.562%0.62275%0.751SS**  cis-147138.37.585.30000114.5
728I27.8Very low26.2Very low137 Ų137122.8 Ų122.870%0.70375%0.753SS**  trans78.4113.6134.8-66.8167.7000119.5
729K29.9Very low26.3Very low183 Ų183125.6 Ų125.680%0.79675%0.752SS**  trans65.2115.3151.2-64.4168.9-172.4177.60117.9
730S25Very low26.2Very low117 Ų117127.6 Ų127.682%0.81875%0.752SS**  cis79.5102.646.382.60000114.6
731G27.8Very low26.2Very low61 Ų61128.7 Ų128.763%0.62975%0.749SS**  trans-174.4122.6167.700000109.2
732P25.3Very low26.1Very low139 Ų139129.6 Ų129.690%0.90375%0.752SS**  trans-77.3129.8177.431.2-32.3000109.9
733V26Very low26.1Very low135 Ų135126 Ų12682%0.81874%0.744SS**  trans-123.3121.4174.8-178.30000108.5
734S24.5Very low26Very low106 Ų106125.8 Ų125.874%0.74175%0.749SS**  trans-63.3132.8-178.8-56.40000111.8D736S734-D736 VanDerWaalsContact C-N 3.33Å; S734-D736 PolarHBondContact O-N 3.43Å
735V25.6Very low25.9Very low152 Ų152125.5 Ų125.592%0.92174%0.742SS**  trans-8682.6160.4-1770000107.2
736D27.4Very low25.8Very low133 Ų133129.9 Ų129.971%0.71175%0.75SS**  trans-89.6161.3174.8-146.2-25.3000111.7S734S734-D736 VanDerWaalsContact C-N 3.33Å; S734-D736 PolarHBondContact O-N 3.43Å
737S25.1Very low25.6Very low67 Ų67128.6 Ų128.647%0.46974%0.741SS.*  trans-73.1126.4-155.6-580000114.5
738V28.4Very low25.4Very low140 Ų140129.7 Ų129.785%0.84874%0.744SS**  trans-130.5112.6163.7-1780000111.4
739Y23.9Very low25.1Very low174 Ų174129 Ų12968%0.68275%0.751SS**  trans-61140165.3-87.4-121.4000111.4L54L54-Y739 HydrophobicContact CD1-CE2 4Å
740R26Very low24.9Very low228 Ų228125 Ų12586%0.8675%0.746SS**  179.2161129.5-101.6163.3-167.4-153.62.9114.6
741N25.3Very low24.8Very low127 Ų127124.6 Ų124.668%0.67975%0.749SS**  trans57.579.4156.5-6210.4000119.1S743N741-S743 PolarHBondContact O-N 2.96Å
742T25.6Very low24.7Very low145 Ų145128 Ų12889%0.8976%0.758SS**  trans-8252.714042.60000110.8T744T742-T744 PolarHBondContact O-N 3.38Å; T742-T744 VanDerWaalsContact O-N 3.16Å
743S23.8Very low24.6Very low72 Ų72127 Ų12750%0.50375%0.754SS.*  trans-77.594.5174-550000109.1N741 T745N741-S743 PolarHBondContact O-N 2.96Å; S743-T745 VanDerWaalsContact C-N 3.25Å; S743-T745 PolarHBondContact O-N 2.89Å
744T23.5Very low24.7Very low127 Ų127127.3 Ų127.378%0.77976%0.756SS**  trans-74.278.7172.548.10000110.7T742 I746T742-T744 PolarHBondContact O-N 3.38Å; T742-T744 VanDerWaalsContact O-N 3.16Å; T744-I746 PolarHBondContact O-N 3.45Å
745T23.3Very low24.8Very low117 Ų117127.5 Ų127.572%0.71876%0.757SS**  trans-65.992.8169.3200000110.3S743 S747S743-T745 VanDerWaalsContact C-N 3.25Å; S743-T745 PolarHBondContact O-N 2.89Å; T745-S747 PolarHBondContact O-N 3.12Å
746I23.4Very low24.9Very low149 Ų149126.3 Ų126.376%0.76475%0.753SS**  trans-78.779.3168-62.9-178.8000108.2T744 V748T744-I746 PolarHBondContact O-N 3.45Å; I746-V748 HydrophobicContact CG2-CG2 3.81Å; I746-V748 PolarHBondContact O-N 3.43Å; I746-V748 VanDerWaalsContact O-N 3.12Å
747S22Very low25Very low102 Ų102125.5 Ų125.571%0.71376%0.757SS**  trans-74.891.5174.6-59.80000110.5T745T745-S747 PolarHBondContact O-N 3.12Å
748V24.4Very low25.1Very low112 Ų112129.8 Ų129.868%0.67978%0.775SS**  trans-100.193.8172.2177.10000110I746 C750I746-V748 HydrophobicContact CG2-CG2 3.81Å; I746-V748 PolarHBondContact O-N 3.43Å; I746-V748 VanDerWaalsContact O-N 3.12Å; V748-C750 PolarHBondContact O-N 2.91Å
749S21.6Very low25.2Very low122 Ų122129.2 Ų129.285%0.85378%0.778SS**  trans-79.5106.9173.4-59.40000111
750C26Very low25.6Very low101 Ų101124.5 Ų124.568%0.68278%0.782SS**  trans-140.771.7167.3550000112.1V748 T752V748-C750 PolarHBondContact O-N 2.91Å; C750-T752 PolarHBondContact O-N 3.33Å
751A22.4Very low25.8Very low107 Ų107121.6 Ų121.688%0.88478%0.782SS**  trans-68.8114.9166.500000109.8
752T26.2Very low25.9Very low132 Ų132124 Ų12481%0.8179%0.792SS**  trans-148121.6163.1-43.80000108.9C750C750-T752 PolarHBondContact O-N 3.33Å
753S22.9Very low26.1Very low119 Ų119120.5 Ų120.583%0.83278%0.784SS**  trans-86.6129.6-168.742.30000113.1
754V27.2Very low26.2Very low141 Ų141124.5 Ų124.586%0.85580%0.798SS**  trans-137.1117.9158-171.30000107.9
755S26.5Very low26.5Very low110 Ų110129.2 Ų129.277%0.76980%0.802SS**  trans-79.1157.1-177.731.30000112.7
756P27.3Very low26.7Very low128 Ų128131.3 Ų131.383%0.83181%0.808SS**  trans-87156.3-157.633.5-37.3000115
757S30.2Very low26.9Very low115 Ų115129.9 Ų129.980%0.80481%0.806SS**  trans-143.996.515949.10000111.8
758N27.3Very low27Very low157 Ų157130.8 Ų130.884%0.8481%0.812SS**  trans34.6128.4157.6-62.5-15.1000121.7
759S31.6Very low27.2Very low129 Ų129131.4 Ų131.490%0.90282%0.816SS**  trans97.7122.8151.779.10000120
760G30.5Very low27.4Very low75 Ų75135.5 Ų135.577%0.77381%0.812SS**  trans101.568.3143.200000119.3M762G760-M762 PolarHBondContact O-N 2.86Å
761L30.1Very low27.4Very low166 Ų166134.8 Ų134.887%0.86981%0.809SS**  trans-69.9121.4162.6-77.8174.8000111.4G763L761-G763 PolarHBondContact O-N 3.46Å
762M28.9Very low27.6Very low179 Ų179136 Ų13688%0.88281%0.805SS**  trans-88.294.9-175.1-176.9164.759.500112.4G760 I764G760-M762 PolarHBondContact O-N 2.86Å; M762-I764 PolarHBondContact O-N 3.39Å
763G28.5Very low27.7Very low70 Ų70136.6 Ų136.672%0.72281%0.809SS**  trans-72.2117.6177.600000114L761 R765L761-G763 PolarHBondContact O-N 3.46Å; G763-R765 PolarHBondContact O-N 3.36Å
764I27.6Very low27.9Very low156 Ų156137.3 Ų137.380%0.881%0.808SS**  trans-70.7122.8179.5-59174.6000110.8M762M762-I764 PolarHBondContact O-N 3.39Å
765R28Very low28.1Very low226 Ų226137 Ų13785%0.85381%0.807SS**  trans-104.8118.3169.6-67.4-172.2-178.3-138.71110.8G763 V767G763-R765 PolarHBondContact O-N 3.36Å; R765-V767 PolarHBondContact O-N 3.38Å
766L27.6Very low28.2Very low162 Ų162137.3 Ų137.385%0.84881%0.809SS**  trans-74.9109.6169.9-65.9175.6000110.3
767V28.1Very low28.2Very low119 Ų119137.6 Ų137.672%0.72181%0.809SS**  trans-94.1116176.7-178.20000109.7R765 V769R765-V767 PolarHBondContact O-N 3.38Å; V767-V769 HydrophobicContact CG1-CG2 3.89Å; V767-V769 PolarHBondContact O-N 3.41Å
768S25.2Very low28.2Very low120 Ų120138 Ų13884%0.83981%0.808SS**  trans-78.5104.3169.6-172.40000109.7
769V27.7Very low28.2Very low126 Ų126137.5 Ų137.576%0.76481%0.805SS**  trans-95.2131173.2-173.30000108.8V767V767-V769 HydrophobicContact CG1-CG2 3.89Å; V767-V769 PolarHBondContact O-N 3.41Å
770R25.2Very low28Very low207 Ų207138.1 Ų138.178%0.78180%0.799SS**  trans-116.2130.2174.2-157.4177-167.8136.67109.2
771S25.7Very low27.9Very low86 Ų86140 Ų14060%0.60180%0.8SS**  trans-62.1132.3177.731.20000111.8
772T27.9Very low27.6Very low133 Ų133137.1 Ų137.182%0.81679%0.794SS**  trans-142.5139.6159.644.40000108.2
773T27.7Very low27.5Very low144 Ų144136.6 Ų136.688%0.88379%0.793SS**  trans-72.9155.3-16935.10000113.9
774T27.7Very low27.5Very low134 Ų134139.8 Ų139.882%0.82279%0.793SS**  trans-95.8148.2-162.344.10000114.5
775T30.1Very low27.3Very low134 Ų134138.8 Ų138.882%0.82279%0.788SS**  trans-140.6111.6158.428.40000111.3
776S29.9Very low27.1Very low117 Ų117134.6 Ų134.682%0.81878%0.783SS**  trans44.9115.8157.456.70000120.6
777V27.7Very low27Very low135 Ų135132.5 Ų132.582%0.81878%0.777SS**  trans-97.5150.3170.61720000110.9
778P29.7Very low27Very low122 Ų122131.1 Ų131.179%0.79277%0.769SS**  trans-102.8140149.334.9-28.4000111.4
779N26.4Very low27.1Very low147 Ų147130.4 Ų130.479%0.78676%0.763SS**  trans-87.2179.7-168.9-156.93.1000113.3
780N27.6Very low26.9Very low142 Ų142134 Ų13476%0.75977%0.768SS**  trans84.881.6169.7-55.6-2.5000117.2
781S28.2Very low27Very low114 Ų114132.5 Ų132.580%0.79777%0.77SS**  trans-146.479.9144.8640000110.6I783S781-I783 PolarHBondContact O-N 2.8Å
782S25.2Very low27Very low107 Ų107132.7 Ų132.775%0.74877%0.771SS**  trans-72.1110.7170.9510000110.2
783I27.1Very low26.8Very low167 Ų167131.2 Ų131.286%0.85677%0.767SS**  trans-88.7104.5159.1-64.4-179.7000106.3S781S781-I783 PolarHBondContact O-N 2.8Å
784L26.9Very low26.9Very low137 Ų137131.7 Ų131.772%0.71776%0.762SS**  trans-67.7141169.2-110.170.9000109.8
785L24.2Very low26.8Very low136 Ų136128.9 Ų128.971%0.71276%0.76SS**  trans-2.9130141.4-58.2162.1000115.5
786N24.6Very low26.6Very low137 Ų137127.7 Ų127.773%0.73376%0.757SS**  trans-132.262.2130-15938.6000111.2T788N786-T788 VanDerWaalsContact C-N 3.34Å; N786-T788 PolarHBondContact O-N 3.29Å; N786-T788 WeakPolarHBondContact OD1-CG2 3.45Å; N786-T788 PolarHBondContact OD1-OG1 3.27Å
787T23.9Very low26.5Very low119 Ų119128 Ų12873%0.7375%0.749SS**  trans-83.781.7162.149.50000108.9
788T28.6Very low26.6Very low89 Ų89123 Ų12355%0.54673%0.725SS.*  trans-120.6118.317054.30000109.2N786N786-T788 VanDerWaalsContact C-N 3.34Å; N786-T788 PolarHBondContact O-N 3.29Å; N786-T788 WeakPolarHBondContact OD1-CG2 3.45Å; N786-T788 PolarHBondContact OD1-OG1 3.27Å
789C26.5Very low26.6Very low106 Ų106122.1 Ų122.172%0.71672%0.717SS**  trans24.8123.5150.164.40000118.4
790F24.4Very low26.7Very low201 Ų201126.8 Ų126.888%0.88272%0.724SS**  34.59081.5-88.3-79.4000113
791Q27.7Very low26.8Very low176 Ų176123.3 Ų123.382%0.82272%0.722SS**  trans-150150.6132.4-154.560.71200109.4
792S24.9Very low26.8Very low89 Ų89123.2 Ų123.262%0.62272%0.721SS**  trans-61.9159.3179.152.50000113.8
793S25.1Very low27.1Very low102 Ų102124.3 Ų124.371%0.71372%0.723SS**  trans14.2132.2137.1-43.50000118.8
794I27.8Very low27.2Very low154 Ų154119.4 Ų119.479%0.7971%0.714SS**  -176.3103.1120.4-87.4146.4000108.9
795G26.5Very low27.3Very low76 Ų76119.9 Ų119.978%0.78472%0.717SS**  -109.6150.5120.200000106.2
796S25.7Very low27.5Very low108 Ų108119.5 Ų119.576%0.75572%0.716SS**  cis-159.3133.74140.10000108.5
797L29.1Very low27.8Very low124 Ų124118 Ų11865%0.64972%0.717SS**  trans-162.4146.4151.8-143.472.3000113.5P267P267-L797 WeakPolarHBondContact CD-O 3.41Å; P267-L797 VanDerWaalsContact CG-O 3.24Å; P267-L797 WeakPolarHBondContact CG-O 2.94Å
798G29.3Very low27.8Very low30 Ų30118.7 Ų118.731%0.30972%0.72SS.*  trans-68.5178.8152.900000111.8A266A266-G798 CarbonylContact O-C 3.35Å
799T29.3Very low27.8Very low104 Ų104120.8 Ų120.864%0.63873%0.732SS**  cis-169.6145.1-5.314.70000109.5A266A266-T799 CarbonylContact O-C 3.44Å; A266-T799 VanDerWaalsContact O-CA 3.29Å; A266-T799 WeakPolarHBondContact O-CA 3.49Å; A266-T799 PolarHBondContact O-N 2.87Å
800R28Very low27.6Very low245 Ų245123.5 Ų123.593%0.92574%0.737SS**  trans79.6132.2143.6-159.2-177.1-165.6-160.83.9120.6
801G30.1Very low27.8Very low69 Ų69119.8 Ų119.871%0.71173%0.73SS**  trans121.6108.1165.800000113.4
802S28.3Very low27.9Very low112 Ų112117.4 Ų117.478%0.78373%0.728SS**  68.9129.173.9-145.70000112.9
803T30.2Very low27.9Very low130 Ų130118.4 Ų118.480%0.79874%0.735SS**  cis-160.2143.513.1-22.10000111.7
804G30.5Very low28.2Very low64 Ų64119.4 Ų119.466%0.6674%0.739SS**  trans66.6172.617300000116
805D29.1Very low28.2Very low147 Ų147117 Ų11779%0.78674%0.735SS**  cis-172.9156.4-14-120.838.3000107.6
806N28.8Very low28.4Very low127 Ų127122.2 Ų122.268%0.67974%0.739SS**  cis-160.6178.2-10.8-150.9-42.8000109.7
807S30Very low28.5Very low107 Ų107125.3 Ų125.375%0.74874%0.744SS**  trans77.614416378.80000120.6
808V23.9Very low28.6Very low132 Ų132125.8 Ų125.880%0.875%0.752SS**  trans-141.7143.9-177.3169.80000108.5
809V28.3Very low28.6Very low133 Ų133129.5 Ų129.581%0.80677%0.773SS**  trans-138.2132.1165.5-177.20000110.9V811V809-V811 HydrophobicContact CG1-CG2 4.39Å
810M23.5Very low28.6Very low164 Ų164130.2 Ų130.281%0.80878%0.782SS**  trans-113.2142.7166.9-68.1-167.5-61.400110.7
811V28.5Very low28.8Very low122 Ų122122.5 Ų122.574%0.73978%0.779SS**  trans-147.6104.8161.5-174.10000105.7V809V809-V811 HydrophobicContact CG1-CG2 4.39Å
812T28.4Very low28.7Very low127 Ų127122.5 Ų122.578%0.77978%0.779SS**  64.5147.970.866.10000115.8
813S25.1Very low28.9Very low110 Ų110126.6 Ų126.677%0.76979%0.786SS**  trans-144.8158-160.955.20000114.5
814P32.3Very low28.6Very low122 Ų122130 Ų13079%0.79278%0.784SS**  trans-133.9163.615436.1-22000113
815S27.3Very low28.5Very low103 Ų103132.8 Ų132.872%0.7278%0.782SS**  cis118107-1.1-68.60000115.5
816Q31.7Very low28.4Very low186 Ų186131.5 Ų131.587%0.86978%0.78SS**  trans-179.2131.2157.5-98.4158.455.600107.4
817M26.5Very low28.4Very low173 Ų173130.5 Ų130.585%0.85278%0.783SS**  74.2137.551.8-60.2-177.872.400112.4
818V32.7Very low28.3Very low134 Ų134130.2 Ų130.281%0.81278%0.781SS**  cis-149.3163.431177.80000113.6
819S28.6Very low28.6Very low108 Ų108132.5 Ų132.576%0.75578%0.783SS**  trans-78.9179.2177.8-550000116.7
820S28.9Very low28.5Very low119 Ų119130 Ų13083%0.83277%0.77SS**  cis176.1153.9-32.165.30000111.9
821G31.5Very low28.6Very low83 Ų83125.5 Ų125.586%0.85676%0.755SS**  trans147.8153153.400000120.8
822G29.8Very low28.5Very low70 Ų70129.3 Ų129.372%0.72276%0.764SS**  trans118.4112.6145.400000123.2
823H31.2Very low28.4Very low198 Ų198128.9 Ų128.992%0.91777%0.767SS**  trans76176.6145-60.3-76000123.7
824R25Very low28.6Very low201 Ų201127.6 Ų127.676%0.75876%0.763SS**  trans-144-175.3-135-161.6-176-178-157.43.4114.5R534R534-R824 VanDerWaalsContact NH1-C 3.29Å; R534-R824 PolarHBondContact NH1-O 3.32Å
825I27.7Very low28.3Very low122 Ų122127.8 Ų127.863%0.62676%0.757SS**  trans101.1166.9164.1-56.8167.6000115.7R534R534-I825 WeakPolarHBondContact CD-O 3.47Å; R534-I825 PolarHBondContact NH1-O 3.48Å
826T27.5Very low28.3Very low120 Ų120128 Ų12874%0.73675%0.749SS**  trans-130.4149.7-135.548.40000118.2
827S27.7Very low28.2Very low107 Ų107127.2 Ų127.275%0.74875%0.745SS**  trans27.6132.9145.364.50000123.7
828S28.7Very low28.2Very low101 Ų101125.9 Ų125.971%0.70674%0.737SS**  174.3139.3122.858.70000114.9
829H29.7Very low28Very low180 Ų180125.7 Ų125.783%0.83374%0.736SS**  trans51.5169.4145.6-65.8-53.1000121.8
830C25.6Very low28Very low79 Ų79129.8 Ų129.853%0.53474%0.743SS.*  -165.3151.3-52.8-105.90000109.7
831S26.1Very low27.9Very low70 Ų70131 Ų13149%0.4975%0.746SS.*  trans53.4118.3150.7-53.40000121.6
832Q27.4Very low27.6Very low202 Ų202131.2 Ų131.294%0.94474%0.74SS**  -169.7172.1106.6-101.5178.81900111.9
833S25.3Very low27.3Very low118 Ų118132.2 Ų132.283%0.82574%0.741SS**  trans-155.6139.5-165.5-177.80000113.4
834A28.9Very low27Very low84 Ų84128.4 Ų128.469%0.69473%0.732SS**  trans-161.1121.2160.900000106
835D27.3Very low26.9Very low125 Ų125129.2 Ų129.267%0.66874%0.736SS**  70.2133.477.7-71.3-16.2000113.2
836I27.3Very low26.9Very low109 Ų109129 Ų12956%0.55974%0.741SS**  cis-155.6143.83.9-116.5160000110.9
837H28.4Very low26.7Very low169 Ų169130.7 Ų130.778%0.78274%0.744SS**  trans43131.5156.1-68.4-135.6000122.7
838Q27.5Very low26.7Very low144 Ų144130.7 Ų130.767%0.67374%0.74SS**  trans-142.8133.1142-165.7169.120.400109.6
839T28.1Very low26.6Very low130 Ų130132.3 Ų132.380%0.79875%0.745SS**  trans-87.6131.7-171.3-15.20000111.8
840Q29.3Very low26.4Very low194 Ų194128.3 Ų128.391%0.90774%0.738SS**  trans-98.5118.2167.9-77.8-169.6-14.100111.1A842Q840-A842 PolarHBondContact O-N 2.92Å
841T25.1Very low26.5Very low144 Ų144131 Ų13188%0.88375%0.751SS**  trans-81.9105.6177.3-6.90000110.4
842A26.2Very low26.6Very low89 Ų89136 Ų13674%0.73676%0.761SS**  trans-80.8116.8169.100000109.9Q840 V844Q840-A842 PolarHBondContact O-N 2.92Å; A842-V844 PolarHBondContact O-N 3.08Å
843A23.4Very low26.7Very low90 Ų90131.9 Ų131.974%0.74475%0.751SS**  trans-73.8120.6177.200000111
844V24.3Very low26.7Very low119 Ų119133.7 Ų133.772%0.72175%0.75SS**  trans-107.1112173.6179.70000108.8A842 V846A842-V844 PolarHBondContact O-N 3.08Å; V844-V846 PolarHBondContact O-N 2.97Å
845Y24.2Very low26.7Very low218 Ų218137 Ų13786%0.85576%0.755SS**  trans-70.1112.1173.6-75.1-93.2000110.2L847Y845-L847 PolarHBondContact O-N 3.27Å
846V26Very low26.7Very low118 Ų118136.6 Ų136.672%0.71576%0.763SS**  trans-88.3103.8170.6-1780000108.5V844 T848V844-V846 PolarHBondContact O-N 2.97Å; V846-T848 HydrophobicContact CG1-CG2 4.12Å; V846-T848 PolarHBondContact O-N 3.3Å; V846-T848 VanDerWaalsContact O-N 3.13Å
847L24.5Very low26.7Very low154 Ų154136.9 Ų136.981%0.80677%0.77SS**  trans-75.394170.5-92.3158.5000109.8Y845 T849Y845-L847 PolarHBondContact O-N 3.27Å; L847-T849 PolarHBondContact O-N 3Å; L847-T849 VanDerWaalsContact O-N 3.09Å
848T27.4Very low26.7Very low108 Ų108135.8 Ų135.866%0.66378%0.775SS**  trans-75.288.2170.850.70000110.3V846 S850V846-T848 HydrophobicContact CG1-CG2 4.12Å; V846-T848 PolarHBondContact O-N 3.3Å; V846-T848 VanDerWaalsContact O-N 3.13Å; T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.79Å
849T26.6Very low26.6Very low134 Ų134134.9 Ų134.982%0.82278%0.78SS**  trans-77.775175.854.50000111.3L847L847-T849 PolarHBondContact O-N 3Å; L847-T849 VanDerWaalsContact O-N 3.09Å
850S25.8Very low26.6Very low97 Ų97135.6 Ų135.668%0.67878%0.783SS**  trans-132.477.8172.159.60000109.7T848T848-S850 VanDerWaalsContact C-N 3.27Å; T848-S850 PolarHBondContact O-N 2.79Å
851V27.9Very low26.4Very low134 Ų134132.5 Ų132.581%0.81278%0.778SS**  trans-114.893.4177-176.90000108.7
852Y26.8Very low26.6Very low176 Ų176131.4 Ų131.469%0.6978%0.776SS**  trans-95.8120.4161-90.1-84.4000108.4I854Y852-I854 PolarHBondContact O-N 3.03Å
853P29.4Very low26.6Very low115 Ų115132.2 Ų132.275%0.74778%0.776SS**  trans-78.5111.4171.130.8-30.7000109.5
854I25.9Very low26.8Very low156 Ų156134.6 Ų134.680%0.878%0.777SS**  trans-96.6106.3163.8-60.7177.4000107Y852Y852-I854 PolarHBondContact O-N 3.03Å
855L28.2Very low26.9Very low153 Ų153133.2 Ų133.280%0.80177%0.772SS**  trans-126.5123.8167.2-133.580.4000108.4
856S28.8Very low27.1Very low118 Ų118128.2 Ų128.283%0.82577%0.769SS**  trans-143.4117.9168-710000107.1
857T26Very low27.2Very low115 Ų115128.3 Ų128.371%0.70678%0.775SS**  trans-98.3138-168.849.10000111.4
858T29.9Very low27.3Very low146 Ų146124.7 Ų124.790%0.89678%0.775SS**  trans-142.9116.1156.99.60000110
859T25Very low27.3Very low125 Ų125124.3 Ų124.377%0.76778%0.777SS**  trans-131.4117177.5-33.20000108.2
860V27.5Very low27.3Very low144 Ų144126.7 Ų126.787%0.87378%0.778SS**  trans-142.7128.9159.1-169.40000108.5
861T25.3Very low27.3Very low129 Ų129127.9 Ų127.979%0.79179%0.787SS**  trans-108.3142.6173.646.40000110.3
862S29.3Very low27.1Very low121 Ų121127.6 Ų127.685%0.84679%0.786SS**  trans-140.1132160.646.20000112.3
863S26.1Very low27.1Very low107 Ų107124.8 Ų124.875%0.74879%0.79SS**  trans-87.2179173550000110.4
864N28.1Very low26.9Very low140 Ų140124.6 Ų124.675%0.74979%0.792SS**  cis-162.2159.115.9-148.711000114.1
865S26.7Very low26.9Very low90 Ų90121.6 Ų121.663%0.62979%0.79SS**  trans35.5118.2142.964.50000124.3
866S28.2Very low26.9Very low112 Ų112119.8 Ų119.878%0.78379%0.79SS**  -179.5106.5126.248.10000110.6
867S27.4Very low26.7Very low121 Ų121119.8 Ų119.885%0.84679%0.79SS**  6110594.870.40000116.4
868G27.6Very low26.7Very low77 Ų77122 Ų12279%0.79480%0.796SS**  trans176.9114.7172.100000114.8
869S27.1Very low26.6Very low101 Ų101122.6 Ų122.671%0.70679%0.792SS**  trans-32.3140.8173.248.80000120.7
870E25.5Very low26.6Very low183 Ų183121.3 Ų121.386%0.85579%0.788SS**  trans54.2123.8131.4-55.8171.6152.400119.1
871S26.7Very low26.6Very low122 Ų122119.9 Ų119.985%0.85378%0.782SS**  -176.317166.742.80000114.2
872T24.2Very low26.7Very low129 Ų129120.1 Ų120.179%0.79178%0.783SS**  trans-62.6141.5-169.347.40000119.4
873C25.5Very low26.6Very low116 Ų116120.3 Ų120.378%0.78478%0.779SS**  -177.7124122.3-95.70000109.3
874S25.3Very low26.8Very low112 Ų112121.5 Ų121.578%0.78378%0.781SS**  66.2127.372.5-59.40000113.3
875A26.5Very low26.9Very low92 Ų92120 Ų12076%0.7678%0.781SS**  cis-160.1-173-12.100000107.3
876S28.9Very low27.1Very low116 Ų116118.9 Ų118.981%0.81178%0.784SS**  cis-157.41678.7-104.90000109.1
877S24.1Very low27.1Very low118 Ų118119.7 Ų119.783%0.82579%0.787SS**  trans-123.8138.2175.4-57.60000112.1
878I26.9Very low27.3Very low161 Ų161120.1 Ų120.183%0.82679%0.785SS**  trans-120.8115.5172.6-60.7-179.6000109.9
879I26.5Very low27.4Very low159 Ų159124.1 Ų124.182%0.81579%0.788SS**  trans-99.4123.5172.1-62170.4000107.7
880S26Very low27.4Very low98 Ų98123.2 Ų123.269%0.68579%0.794SS**  trans-105.4124.6170.9-69.10000110.2
881P27Very low27.6Very low114 Ų114120.8 Ų120.874%0.7479%0.792SS**  trans-78.5130.4-176.930.7-34000111.9
882V28.1Very low27.6Very low134 Ų134122.6 Ų122.681%0.81279%0.791SS**  trans-89.1107.1168178.70000108.6
883V27.2Very low27.8Very low124 Ų124124.4 Ų124.475%0.75279%0.79SS**  trans-72.1125.2177.5178.50000109.9
884V29.7Very low27.9Very low133 Ų133123.5 Ų123.581%0.80678%0.781SS**  trans-101.9105.5174.5-178.60000109.1
885S30.2Very low28Very low107 Ų107128.3 Ų128.375%0.74878%0.782SS**PPolyproline II helixtrans-79.7146.9169.1-72.10000111.5
886G31.1Very low28.1Very low67 Ų67131.8 Ų131.869%0.69178%0.78SS**PPolyproline II helixtrans-67.1166.5-176.200000115.2
887P28.4Very low28.2Very low129 Ų129137.2 Ų137.284%0.83878%0.783SS**PPolyproline II helixtrans-88.4140.1-160.333.4-35.8000114.7
888T30.8Very low28.4Very low131 Ų131136.6 Ų136.680%0.80478%0.779SS**  trans-127.9126.9153.248.70000109.7G890T888-G890 PolarHBondContact O-N 2.97Å
889N30.1Very low28.6Very low160 Ų160135.1 Ų135.186%0.85678%0.78SS**SBendtrans52.648.6163.2-58.6-10.5000118.7V891N889-V891 PolarHBondContact O-N 3.32Å
890G27.5Very low28.8Very low82 Ų82135.3 Ų135.385%0.84578%0.777SS**SBendtrans73.21.9131.500000120.6T888T888-G890 PolarHBondContact O-N 2.97Å
891V29.7Very low29Very low132 Ų132136.5 Ų136.580%0.878%0.783SS**  trans-130.997.7176-174.10000111.2N889N889-V891 PolarHBondContact O-N 3.32Å
892L26.4Very low29.1Very low161 Ų161138.4 Ų138.484%0.84379%0.787SS**  trans-92.6105.2172.6-96.5168.4000111.2V894L892-V894 PolarHBondContact O-N 3.32Å; L892-V894 VanDerWaalsContact O-N 3.07Å
893Q27.2Very low29.1Very low166 Ų166138.4 Ų138.478%0.77679%0.786SS**  trans-79.683.2179.1-170.4-177.950.400111.5R895Q893-R895 PolarHBondContact O-N 3.35Å; Q893-R895 VanDerWaalsContact O-N 3.14Å
894V28.3Very low29.3Very low97 Ų97137.8 Ų137.859%0.58879%0.788SS**  trans-71107.2176.4-176.30000110.4L892 F896L892-V894 PolarHBondContact O-N 3.32Å; L892-V894 VanDerWaalsContact O-N 3.07Å; V894-F896 HydrophobicContact CB-CE2 4.43Å; V894-F896 HydrophobicContact CG1-CD2 4.24Å; V894-F896 HydrophobicContact CG1-CE1 4.24Å; V894-F896 HydrophobicContact CG1-CE2 3.73Å; V894-F896 HydrophobicContact CG1-CZ 3.73Å
895R27.7Very low29.3Very low214 Ų214136.8 Ų136.881%0.80878%0.784SS**  trans-103.188.3-175.7-164.9177-166.8166.73.9111.3Q893 R897Q893-R895 PolarHBondContact O-N 3.35Å; Q893-R895 VanDerWaalsContact O-N 3.14Å; R895-R897 PolarHBondContact O-N 3.25Å
896F29Very low29.1Very low164 Ų164137.3 Ų137.372%0.71978%0.783SS**PPolyproline II helixtrans-60.7129.9174.3-61.1-84.1000111.2V894V894-F896 HydrophobicContact CB-CE2 4.43Å; V894-F896 HydrophobicContact CG1-CD2 4.24Å; V894-F896 HydrophobicContact CG1-CE1 4.24Å; V894-F896 HydrophobicContact CG1-CE2 3.73Å; V894-F896 HydrophobicContact CG1-CZ 3.73Å
897R30.2Very low29.1Very low230 Ų230141 Ų14187%0.86879%0.792SS**PPolyproline II helixtrans-100.4141.1163.5-75.6-175.5172-177.9-1.9108.8R895R895-R897 PolarHBondContact O-N 3.25Å
898S27.9Very low29.1Very low105 Ų105142.6 Ų142.673%0.73479%0.79SS**PPolyproline II helixtrans-63.4146.7166.949.50000110.4Q900S898-Q900 PolarHBondContact O-N 3.19Å
899P31.3Very low29.1Very low130 Ų130141.6 Ų141.684%0.84478%0.784SS**PPolyproline II helixtrans-62127.3177.9-20.732.6000111.5
900Q30.7Very low29.2Very low164 Ų164141.6 Ų141.677%0.76678%0.779SS**PPolyproline II helixtrans-77.8146.8154.7-76.4-178.6-83.400108.6S898 N902S898-Q900 PolarHBondContact O-N 3.19Å; Q900-N902 PolarHBondContact O-N 3.21Å
901P30Very low29.5Very low123 Ų123142.8 Ų142.880%0.79977%0.766SS**  trans-70.395.3171.129.7-33.2000109.2V903P901-V903 PolarHBondContact O-N 2.75Å
902N30.3Very low29.7Very low154 Ų154144.6 Ų144.682%0.82477%0.765SS**  trans-82112.9179.6-128.720.9000109.4Q900Q900-N902 PolarHBondContact O-N 3.21Å
903V28.3Very low30.1Very low133 Ų133143.8 Ų143.881%0.80676%0.757SS**PPolyproline II helixtrans-81.3125.8179.4-1770000109.5P901P901-V903 PolarHBondContact O-N 2.75Å
904S30.8Very low30.5Very low111 Ų111139.1 Ų139.178%0.77674%0.743SS**PPolyproline II helixtrans-76.1137.2175.4-59.50000111.3
905P29.7Very low30.8Very low112 Ų112142 Ų14273%0.72775%0.748SS**PPolyproline II helixtrans-92.9142.8-16834.6-36.1000116.1
906T26.4Very low31.1Very low119 Ų119136.3 Ų136.373%0.7374%0.74SS**  trans49.8120.1132.6-460000121.8M908T906-M908 HydrophobicContact CG2-CG 4.26Å
907V29.5Very low31.4Very low145 Ų145135.6 Ų135.688%0.87974%0.744SS**  trans-128.6151.5135.3-178.50000107.4
908M28.5Very low31.4Very low161 Ų161132.5 Ų132.579%0.79374%0.739SS**  trans-87.8179.3-169.9-52.5-170.1-67.500113.1T906T906-M908 HydrophobicContact CG2-CG 4.26Å
909T31.5Very low31.6Very low111 Ų111133.4 Ų133.468%0.68174%0.739SS**  -173.4132.776.5-71.80000112.5
910E31.8Very low31.7Very low160 Ų160133.3 Ų133.375%0.74874%0.736SS**  trans48.6154.2152.6-69-178.8106.900122.5
911N33.7Very low31.7Very low107 Ų107129.2 Ų129.257%0.57273%0.726SS**  cis-159.5153.20.4-120.9-27.4000114
912Q35.2Very low31.9Very low170 Ų170130.4 Ų130.479%0.79472%0.721SS**  trans49.3151.4151.6-61.2-177.423.200121.6
913E33.9Very low32Very low143 Ų143129 Ų12967%0.66871%0.713SS**  cis-165.4172.5-13.4-120.2-124.1130.600105.9K915E913-K915 VanDerWaalsContact CD-NZ 3.28Å; E913-K915 IonicContact OE1-NZ 2.97Å; E913-K915 PolarHBondContact OE1-NZ 3.46Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.42Å
914S35Very low32.2Very low69 Ų69129.6 Ų129.648%0.48371%0.71SS.*  cis-170.7-160.7-8.5-152.50000114.1
915K36.1Very low32.2Very low158 Ų158131.8 Ų131.869%0.68771%0.712SS**  trans27.5144.2145.6-67.9142.2-159.61530122.8E913E913-K915 VanDerWaalsContact CD-NZ 3.28Å; E913-K915 IonicContact OE1-NZ 2.97Å; E913-K915 PolarHBondContact OE1-NZ 3.46Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.42Å
916S33.3Very low32.6Very low93 Ų93131.7 Ų131.765%0.6571%0.712SS**  cis-178.9146.8-1053.40000116
917L34.5Very low32.8Very low150 Ų150132.2 Ų132.279%0.78572%0.715SS**  trans70.8154.9146.3-65.3162.5000121.6
918Q31.4Very low32.9Very low165 Ų165130.4 Ų130.477%0.77171%0.708SS**  cis-172.4175.4-27.8-147.9-172.70.900113.4
919V31.6Very low33Very low123 Ų123129.2 Ų129.275%0.74571%0.705SS**  trans80.3145.2153.3141.70000119
920V32.9Very low33Very low128 Ų128131.4 Ų131.478%0.77671%0.707SS**  cis-154.6-142-18.571.50000112.8
921S30.5Very low33Very low78 Ų78127.9 Ų127.955%0.54570%0.7SS.*  trans-158.6-175.9-161.9530000117.6
922H34.4Very low32.8Very low149 Ų149130 Ų13069%0.6971%0.709SS**  trans102.3151165.5-55-54.5000118.9
923N33.4Very low32.6Very low125 Ų125126.2 Ų126.267%0.66870%0.702SS**  cis-170.4152.5-14.5-104.64.2000114.5
924I31.4Very low32.4Very low144 Ų144125.9 Ų125.974%0.73871%0.705SS**  trans82.8134.2136.8-71.8168.9000125.8
925L30.9Very low32.2Very low157 Ų157127.5 Ų127.582%0.82271%0.712SS**  trans75137.8154.5-120.471.1000126.5
926P39.5Very low32.2Very low111 Ų111125.8 Ų125.872%0.72172%0.717SS**  trans-133.6161.116642.2-29.1000117
927T30.3Very low32.1Very low130 Ų130130.5 Ų130.580%0.79873%0.725SS**  trans-167.3151.1162.922.70000115.7
928S31.7Very low31.8Very low106 Ų106127.7 Ų127.774%0.74172%0.718SS**  trans74.4156151.3800000120
929L30.5Very low31.8Very low136 Ų136126 Ų12671%0.71272%0.719SS**  cis-170.8166.2-18.7-109.2172.5000111.4
930H31.9Very low31.6Very low158 Ų158125 Ų12573%0.73172%0.718SS**  trans67.8155.2161.4-59.6133.1000119.2
931S30.9Very low31.6Very low86 Ų86127 Ų12760%0.60172%0.719SS**  cis-160.8142-10.4-104.10000109.3
932I29.1Very low31.6Very low150 Ų150129.3 Ų129.377%0.76973%0.725SS**  60.6127.885.8-59169.9000112.2
933S30.4Very low31.4Very low92 Ų92125.9 Ų125.964%0.64372%0.718SS**  cis-155.5-162.916.1-140.40000110.6
934D30.1Very low31.2Very low136 Ų136125.2 Ų125.273%0.72771%0.709SS**  cis-161.9-178.62.2-136.2-55.2000113.8
935V32Very low31.1Very low103 Ų103127.4 Ų127.462%0.62471%0.709SS**  trans43.8116.6154.5-175.40000122.1
936P34.6Very low31Very low122 Ų122126.2 Ų126.279%0.79270%0.702SS**  trans-104.5149.7154.737.6-30.8000113.9
937K32.3Very low30.5Very low191 Ų191127.4 Ų127.483%0.8370%0.702SS**  trans-176.9159.4169.5-102.9158.8-176.4174.90108.7
938S27.1Very low30.6Very low91 Ų91126.4 Ų126.464%0.63670%0.698SS**  cis176.8164.5-23.651.60000108.3
939V31.3Very low30.4Very low129 Ų129126 Ų12678%0.78270%0.701SS**  trans71.9122.4173.4-170.20000112.6
940S28.1Very low30.4Very low103 Ų103125.2 Ų125.272%0.7271%0.707SS**  cis101.9156.526.5-169.60000113.3
941E34.1Very low30.2Very low171 Ų171127.2 Ų127.280%0.79971%0.714SS**  trans75.6124.7-178.9-44.1-160157.300113
942D28.7Very low30.1Very low126 Ų126128.7 Ų128.767%0.67472%0.721SS**  cis65135.943.1-143.115.9000109.4K944D942-K944 IonicContact OD1-NZ 2.74Å; D942-K944 PolarHBondContact OD1-NZ 3.41Å; D942-K944 IonicContact OD2-NZ 3.79Å; D942-K944 PolarHBondContact OD2-NZ 3.38Å
943S30.6Very low29.9Very low77 Ų77130 Ų13054%0.53873%0.729SS.*  cis-158.7164.320.577.90000115.2
944K30.4Very low29.6Very low111 Ų111136.8 Ų136.848%0.48374%0.74SS.*  trans29.3133.4131.2-53.3162.7-164.879.60118.7D942 I946D942-K944 IonicContact OD1-NZ 2.74Å; D942-K944 PolarHBondContact OD1-NZ 3.41Å; D942-K944 IonicContact OD2-NZ 3.79Å; D942-K944 PolarHBondContact OD2-NZ 3.38Å; K944-I946 HydrophobicContact CB-CD1 4.38Å; K944-I946 HydrophobicContact CG-CD1 4.5Å
945Y28.9Very low29.4Very low190 Ų190136 Ų13675%0.74574%0.744SS**  164.5106.6108.6-85.6-65.1000107.1
946I29Very low29Very low131 Ų131135.3 Ų135.367%0.67275%0.749SS**  59.6141.850.1-40.7168.5000112.1K944K944-I946 HydrophobicContact CB-CD1 4.38Å; K944-I946 HydrophobicContact CG-CD1 4.5Å
947N27.8Very low28.6Very low137 Ų137134.2 Ų134.273%0.73374%0.744SS**  trans100.1163.3147.8-11614.6000117.6
948P32.3Very low28.2Very low108 Ų108133.5 Ų133.570%0.70174%0.744SS**  -141.7164.3-99.243.5-26.3000117.1
949A28Very low28.3Very low98 Ų98134.4 Ų134.481%0.8175%0.75SS**  trans-154.6145.2154.500000110
950S31.3Very low28.2Very low119 Ų119136 Ų13683%0.83275%0.754SS**  cis-153.4146.6-1650.70000110.6
951K26.4Very low28.2Very low201 Ų201135.9 Ų135.987%0.87475%0.751SS**  trans-85.2179170.8-53.2173-179.9171.90109.4
952P28.6Very low27.8Very low117 Ų117133 Ų13376%0.7674%0.74SS**  -127.6157.4-69.837.6-23.4000111.1
953L26.6Very low27.7Very low178 Ų178134.5 Ų134.593%0.93275%0.748SS**  trans-121.1139.4167.8-92.4168.1000112.6
954R22.8Very low27.6Very low234 Ų234139 Ų13988%0.88376%0.76SS**  trans-131.187-165.8179.6-167.4175.7159.60.8109.8
955C26.4Very low27.6Very low120 Ų120142 Ų14281%0.81178%0.775SS**  trans-116.7122.3156.8-59.90000105.5
956A24.1Very low27.4Very low87 Ų87139.8 Ų139.872%0.71978%0.776SS**  cis71.7138.538.100000112.8
957S25.1Very low27.4Very low99 Ų99139.6 Ų139.669%0.69278%0.781SS**  trans66.7115.9-171.9-64.70000113.9
958E25.6Very low27.3Very low176 Ų176138.5 Ų138.582%0.82278%0.783SS**  89.192.561.1-76.2162.6142.300112.9
959S28.9Very low27.3Very low111 Ų111138.4 Ų138.478%0.77679%0.785SS**  trans-179.9134.9141.756.80000112.1
960N29Very low27.3Very low161 Ų161141.1 Ų141.186%0.86179%0.785SS**  trans-68.7148.4150.4-55.1-57.4000107.6
961P28Very low27.3Very low101 Ų101143.7 Ų143.766%0.65678%0.782SS**  -151.4-156.886.842.1-23.4000113.8
962L25.1Very low27.3Very low110 Ų110141 Ų14158%0.57677%0.772SS**  trans-61.4163.2169.5-54.698.3000112.9L625 H964L625-L962 HydrophobicContact CD1-CD1 4.17Å; L625-L962 HydrophobicContact CD1-CD2 4.02Å; L625-L962 HydrophobicContact CD2-CD1 4.19Å; L962-H964 PolarHBondContact O-N 2.95Å
963L27.1Very low27.3Very low158 Ų158140.2 Ų140.283%0.82777%0.769SS**  trans12.2103.5148.1-67.5166.7000116.8
964H29.4Very low27.5Very low171 Ų171139.8 Ų139.879%0.79276%0.763SS**  trans-172.1165.4134.2-105.2-74.8000110L962L962-H964 PolarHBondContact O-N 2.95Å
965H29.1Very low27.8Very low174 Ų174135.3 Ų135.381%0.80676%0.756SS**  trans64114.2-167-60.9-72.3000114.6
966L25.8Very low27.8Very low145 Ų145138.7 Ų138.776%0.75976%0.76SS**  cis58.7113.49.3-79.4176.6000116.7
967V28.1Very low28.2Very low127 Ų127139.3 Ų139.377%0.7776%0.759SS**  trans67102.7160.9-170.30000117.2
968S26.6Very low28.2Very low113 Ų113140.5 Ų140.579%0.7976%0.762SS**  trans167126.3142.4-75.80000108.5
969S32.1Very low28.2Very low106 Ų106137.7 Ų137.774%0.74176%0.758SS**  cis-145128.9-5.8-62.40000106.9
970L27.4Very low28.1Very low155 Ų155139.2 Ų139.281%0.81276%0.757SS**  65.289.465.9-169.873.4000113.8
971K30.6Very low28Very low174 Ų174137.1 Ų137.176%0.75775%0.75SS**  trans-138.9117131.1-80.9-153.1164.3-139.10107.5
972Q26.7Very low27.9Very low143 Ų143136.4 Ų136.467%0.66875%0.747SS**  65.4124.2102.8-63.1-179.1-79.600112.3
973S29Very low28Very low101 Ų101138.4 Ų138.471%0.70675%0.753SS**  cis-146.7127.610.947.80000110
974Q29.8Very low28.1Very low169 Ų169137.6 Ų137.679%0.7975%0.747SS**  71.3147.994.7-70.5-174-83.400116.4
975N30.8Very low28.2Very low140 Ų140134.5 Ų134.575%0.74974%0.736SS**  trans69.7108.1178-5510.9000113.5
976E25.9Very low28.3Very low192 Ų192132.2 Ų132.290%0.89773%0.73SS**  cis6981.28.2-161.3173.5-123.900115.7
977S31.2Very low28.7Very low100 Ų100130.1 Ų130.170%0.69972%0.723SS**  trans-172.398155.255.90000108.2
978T26.8Very low29Very low123 Ų123130.1 Ų130.176%0.75572%0.719SS**  64.1120.692.6590000115.6
979T25.8Very low29.3Very low118 Ų118130 Ų13072%0.72471%0.709SS**  trans26.2114.9145.553.60000119.3
980D26.1Very low29.3Very low143 Ų143133.1 Ų133.177%0.76571%0.709SS**  -172.7130.7100.5-94.8-19.9000110.2
981V26.1Very low29.5Very low117 Ų117134.5 Ų134.571%0.70971%0.708SS**  74.1111.584174.30000114
982S25.9Very low29.6Very low86 Ų86130.1 Ų130.160%0.60170%0.7SS**  trans85.7154.9149.980.90000121.7
983H28.4Very low29.8Very low151 Ų151130.5 Ų130.570%0.69971%0.706SS**  trans64.9105.2154.5-60.6-43.6000118.1
984M29.2Very low30Very low142 Ų142130.8 Ų130.870%0.771%0.706SS**  86.8145.286.1-80.7166.462.600111.7
985N31Very low29.9Very low105 Ų105130 Ų13056%0.56171%0.705SS**  cis-157.4152.919.9-129.81.2000111.9
986N30.3Very low29.8Very low126 Ų126128.2 Ų128.267%0.67470%0.704SS**  trans48.9148.3137.4-61.2-7.4000122.3
987T35.2Very low29.8Very low102 Ų102123.6 Ų123.663%0.62669%0.689SS**  cis-154.6-165.1-1125.20000106.5
988D33.9Very low29.8Very low127 Ų127126.6 Ų126.668%0.67969%0.692SS**  cis-143.6122.413.5-95.9-79000108.6
989L32.5Very low29.8Very low110 Ų110124.3 Ų124.358%0.57668%0.681SS**  85.6105.387.7-75.6-163.4000116.9
990K32.3Very low29.9Very low172 Ų172126.3 Ų126.375%0.74868%0.682SS**  trans75.1148139.9-67.1162179.3156.40117.5
991K32.3Very low29.9Very low183 Ų183127.8 Ų127.880%0.79669%0.689SS**  cis-155.9136.79.2-139.7-178.1177.3-1720113.6
992S31.6Very low29.8Very low83 Ų83127 Ų12758%0.5869%0.688SS**  trans44.5110.6144.660.10000122.7
993D31.5Very low29.9Very low150 Ų150131.2 Ų131.280%0.80270%0.704SS**  46.8160.697.6-55.1-44.8000121.4
994P33.2Very low29.7Very low107 Ų107128.5 Ų128.570%0.69570%0.702SS**  cis-137154.44.324.30.5000119.2
995I27.3Very low29.6Very low152 Ų152129.7 Ų129.778%0.77971%0.711SS**  46.2112.8129.4-48.6168.4000121.7T997I995-T997 HydrophobicContact CG2-CG2 3.91Å
996S28.2Very low29.4Very low104 Ų104129.4 Ų129.473%0.72772%0.717SS**  -167.1110.2129.6-168.30000106.8
997T27.7Very low29.3Very low95 Ų95135.4 Ų135.458%0.58373%0.73SS**  56.5133.267.575.60000113.1I995I995-T997 HydrophobicContact CG2-CG2 3.91Å
998H30.1Very low29.1Very low163 Ų163138 Ų13876%0.75574%0.74SS**  cis-146.4152.214.9-110.1-66.9000114.2
999S27.3Very low28.8Very low74 Ų74138.2 Ų138.252%0.51774%0.736SS.*  trans56114.6137.1-61.80000121.5
1000E27.4Very low28.6Very low160 Ų160139 Ų13975%0.74874%0.741SS**  72.6105.888.8-66.7157.513200113.2
1001L26Very low28.5Very low175 Ų175138.3 Ų138.392%0.91675%0.746SS**  35.49176.3-73.4172.6000114.1
1002S24.7Very low28.5Very low99 Ų99136.6 Ų136.669%0.69274%0.743SS**  trans-148.685.2167.3-82.70000112.6S1004S1002-S1004 VanDerWaalsContact C-N 3.3Å; S1002-S1004 PolarHBondContact O-N 3.18Å; S1002-S1004 VanDerWaalsContact O-N 3.08Å
1003L26.8Very low28.5Very low176 Ų176139.6 Ų139.692%0.92175%0.753SS**  trans-72.281.9160.9-88.1158.2000109.5N1005L1003-N1005 PolarHBondContact O-N 2.99Å; L1003-N1005 VanDerWaalsContact O-N 3.17Å
1004S25Very low28.4Very low94 Ų94139.5 Ų139.566%0.65775%0.753SS**  trans-92.365.1-174.5-62.60000113.7S1002 S1006S1002-S1004 VanDerWaalsContact C-N 3.3Å; S1002-S1004 PolarHBondContact O-N 3.18Å; S1002-S1004 VanDerWaalsContact O-N 3.08Å; S1004-S1006 PolarHBondContact O-N 3.28Å; S1004-S1006 VanDerWaalsContact O-N 3.1Å
1005N26.6Very low28.1Very low167 Ų167137.7 Ų137.789%0.89374%0.742SS**  trans-70.589.7157.4-92.4-33.7000109.3L1003L1003-N1005 PolarHBondContact O-N 2.99Å; L1003-N1005 VanDerWaalsContact O-N 3.17Å
1006S28.5Very low28.3Very low99 Ų99139.1 Ų139.169%0.69274%0.743SS**  trans-145.6105.617161.70000113.5S1004S1004-S1006 PolarHBondContact O-N 3.28Å; S1004-S1006 VanDerWaalsContact O-N 3.1Å
1007W26.6Very low28.3Very low251 Ų251142.4 Ų142.495%0.95175%0.747SS**  trans-69.9131.4141.9-81.430.5000107.9
1008L30.6Very low28.3Very low158 Ų158142 Ų14283%0.82775%0.753SS**  trans-178.1177.4131-98.7163.9000112.6
1009H28.7Very low28.3Very low130 Ų130142 Ų14260%0.60276%0.759SS**  trans-88.5154.7-160.1-113-99.3000115.6
1010N27.4Very low28.3Very low126 Ų126143 Ų14367%0.67477%0.771SS**  trans41.8125.3147.6-64.27.4000120.9
1011N31.4Very low28.5Very low159 Ų159138.7 Ų138.785%0.8577%0.77SS**  -161.5176.593-106.8-14.5000113.1
1012I32.1Very low28.8Very low146 Ų146137.1 Ų137.175%0.74976%0.763SS**  trans-112.7140.3-173.5-63.7163.3000109.1
1013D32.4Very low28.8Very low147 Ų147141.6 Ų141.679%0.78677%0.77SS**  trans-174.7123.1130.5-85.3-23.2000107
1014D28.5Very low29Very low148 Ų148141.7 Ų141.779%0.79177%0.77SS**  68.9130.382.9-127.822.3000112.5
1015S27.9Very low29Very low68 Ų68143.6 Ų143.648%0.47677%0.773SS.*  cis-165.2174.119.258.50000112.5
1016K31.6Very low29.2Very low182 Ų182141.2 Ų141.279%0.79177%0.77SS**  trans74.8148.3162.1-59.1163.3-168.4171.20116.6
1017Q27.4Very low29.1Very low173 Ų173143.8 Ų143.881%0.80878%0.776SS**  cis-152164.5-5-130.5170.5-5.800112.2
1018A27Very low29.2Very low87 Ų87140 Ų14072%0.71977%0.768SS**  trans12.5145.8154.100000120.8
1019N30.7Very low29Very low162 Ų162141.9 Ų141.987%0.86677%0.77SS**  cis-150.4164.639.9-156.35.8000114.4
1020A27.6Very low29Very low95 Ų95141.7 Ų141.779%0.78577%0.769SS**  trans-102.7158.7-174.400000113.6
1021G32.2Very low29Very low70 Ų70142.2 Ų142.272%0.72277%0.772SS**  trans-166.988.6177.800000114.2
1022N30.8Very low28.8Very low143 Ų143144 Ų14477%0.76577%0.768SS**  trans42110.2153.6-60.5-11.9000119.6
1023F25.5Very low28.7Very low193 Ų193146 Ų14685%0.84677%0.772SS**  64.899.483.7-82.8-70.9000115.1
1024L31.1Very low28.3Very low177 Ų177148.4 Ų148.493%0.92777%0.771SS**  -156.9156114.1-107.9164.1000109.9
1025N24.5Very low28.3Very low135 Ų135147.4 Ų147.472%0.72277%0.773SS**  trans-135.5110.6-166.5-178.519.3000110.5
1026S31.4Very low28.3Very low116 Ų116149.3 Ų149.381%0.81178%0.782SS**  trans-124.7128.1174.644.30000109.9
1027N25.2Very low28.1Very low154 Ų154147.9 Ų147.982%0.82479%0.788SS**  trans-79.2126.6-177.2-67-83000110.9
1028E29.2Very low28Very low170 Ų170144.1 Ų144.179%0.79478%0.782SS**  trans-144122.6159.3-140.7159.3-137.700112.3H1030E1028-H1030 PolarHBondContact O-N 3.36Å
1029K26.2Very low28.1Very low199 Ų199149.8 Ų149.887%0.86578%0.784SS**  trans-92.477.1-173.8-74-179.5176.7173.60111.3N1031K1029-N1031 PolarHBondContact O-N 3.12Å
1030H30Very low28.1Very low125 Ų125147.7 Ų147.758%0.57977%0.773SS**  trans-75.888.1174.1-100.2-74.7000112.9E1028 Y1032E1028-H1030 PolarHBondContact O-N 3.36Å; H1030-Y1032 HydrophobicContact CB-CD2 4.12Å; H1030-Y1032 HydrophobicContact CB-CE2 3.79Å; H1030-Y1032 AromaticContact CG-CE2 3.81Å; H1030-Y1032 AromaticContact ND1-CE2 3.46Å; H1030-Y1032 WeakPolarHBondContact ND1-CE2 3.39Å; H1030-Y1032 AromaticContact ND1-CZ 3.69Å; H1030-Y1032 PolarHBondContact O-N 2.99Å
1031N26Very low28Very low138 Ų138151 Ų15174%0.73878%0.778SS**  trans-68.1109.9161-79-36.2000109.5K1029K1029-N1031 PolarHBondContact O-N 3.12Å
1032Y28.6Very low28Very low195 Ų195152.6 Ų152.677%0.76578%0.778SS**  trans-96.6112.1167-83.1-79.9000110.7H1030H1030-Y1032 HydrophobicContact CB-CD2 4.12Å; H1030-Y1032 HydrophobicContact CB-CE2 3.79Å; H1030-Y1032 AromaticContact CG-CE2 3.81Å; H1030-Y1032 AromaticContact ND1-CE2 3.46Å; H1030-Y1032 WeakPolarHBondContact ND1-CE2 3.39Å; H1030-Y1032 AromaticContact ND1-CZ 3.69Å; H1030-Y1032 PolarHBondContact O-N 2.99Å
1033F28.4Very low27.8Very low188 Ų188153.8 Ų153.883%0.82578%0.779SS**  trans-84.6148-179.2-108.7-101.3000112.2
1034Y23.9Very low28Very low198 Ų198152.1 Ų152.178%0.77678%0.778SS**  trans-78.2140.3166-79-109.6000110.2T1036Y1034-T1036 PolarHBondContact O-N 3.35Å; Y1034-T1036 VanDerWaalsContact O-N 3.09Å
1035P29.5Very low27.9Very low128 Ų128150.8 Ų150.883%0.83177%0.772SS**  trans-77.193169.931-32.9000110.7
1036T27.5Very low28.2Very low108 Ų108150.1 Ų150.166%0.66377%0.768SS**  trans-109.8100.9167.455.20000109.9Y1034 S1038Y1034-T1036 PolarHBondContact O-N 3.35Å; Y1034-T1036 VanDerWaalsContact O-N 3.09Å; T1036-S1038 PolarHBondContact O-N 2.98Å; T1036-S1038 VanDerWaalsContact O-N 3.1Å
1037T28Very low28.1Very low151 Ų151150.9 Ų150.993%0.92676%0.763SS**  trans-73.599.5179.436.90000111.4
1038S25.5Very low28.3Very low95 Ų95151.7 Ų151.766%0.66476%0.76SS**  trans-156.7115.6174.6163.40000112.2T1036T1036-S1038 PolarHBondContact O-N 2.98Å; T1036-S1038 VanDerWaalsContact O-N 3.1Å
1039R27.9Very low28.4Very low205 Ų205150.2 Ų150.277%0.77476%0.762SS**  trans83.8136.2149.1-72.8-173.380.5100.618122
1040D31.1Very low28.6Very low119 Ų119147.2 Ų147.264%0.63676%0.756SS**  trans81131.7137.5-60-6.9000120.5
1041N26.4Very low28.4Very low164 Ų164146.9 Ų146.988%0.87777%0.766SS**  trans-80.8141.8-173.1-51.1-20.3000112.7
1042S31.6Very low28.7Very low104 Ų104144 Ų14473%0.72777%0.77SS**  trans-159.8105.213754.70000105.8
1043E27.3Very low28.7Very low167 Ų167142.1 Ų142.178%0.7877%0.772SS**  52.596.892-66.5-171.5148.300110.8
1044L29.2Very low29Very low159 Ų159142.3 Ų142.383%0.83277%0.773SS**  67.2104.589.5-83.5166000112.2
1045N28.9Very low29.3Very low148 Ų148139.6 Ų139.679%0.79177%0.771SS**  -162.5158.3129.4-122.2-9.4000112.5
1046N30.1Very low29.5Very low122 Ų122140.5 Ų140.565%0.65277%0.767SS**  trans67.1123.9164-62.128000116.9
1047D30.1Very low29.7Very low131 Ų131141.3 Ų141.370%0.70177%0.768SS**  cis-146.7-165.5-7-68.9-56.2000106.9
1048F28.5Very low29.9Very low172 Ų172140.6 Ų140.675%0.75475%0.754SS**  cis-161.4120.75.7-154-68.8000109.6
1049T32.4Very low30.3Very low138 Ų138144 Ų14485%0.84776%0.757SS**  trans-177.186.3149.214.60000114
1050D29Very low30.3Very low137 Ų137142.8 Ų142.873%0.73376%0.76SS**  53.5151.2121-153.917.8000124.2
1051C26.9Very low30.3Very low117 Ų117144.2 Ų144.279%0.79177%0.767SS**  trans67.4101.3162.7-80.70000120.3
1052G32.5Very low30.4Very low79 Ų79142 Ų14281%0.81476%0.759SS**  trans-179.145.5171.200000118.8K1054G1052-K1054 PolarHBondContact O-N 3.32Å
1053N27.9Very low30.1Very low154 Ų154142.9 Ų142.982%0.82476%0.76SS**  trans-63122-172.4-74.1-43.2000116.7
1054K35.4Very low30.2Very low192 Ų192140 Ų14084%0.83576%0.756SS**  trans175.5112.8134.2-95.5156-175.2179.80110.1G1052G1052-K1054 PolarHBondContact O-N 3.32Å
1055I29.8Very low29.9Very low142 Ų142139.8 Ų139.873%0.72875%0.754SS**  88.8132.657.3-68.2164.2000112.8
1056L34.4Very low29.8Very low146 Ų146140.4 Ų140.476%0.76475%0.752SS**  trans90.6107.6-172.9-58.2172.7000114.7
1057N31.8Very low29.8Very low125 Ų125141.3 Ų141.367%0.66876%0.757SS**  88.7136.865-76.138.5000111.5
1058E30.7Very low29.5Very low136 Ų136141.9 Ų141.964%0.63676%0.759SS**  cis-162.3169.98.6-137.7171.2-109.800113.1
1059K35.3Very low29.6Very low168 Ų168139.9 Ų139.973%0.7376%0.763SS**  trans68.6107.7167.2-62.7160.6-173.1163.70116.1
1060Q27.7Very low29.2Very low179 Ų179144 Ų14484%0.83676%0.763SS**  60.6127.164.9-57.9-175.35.100112.7
1061L29.7Very low29.3Very low148 Ų148147.3 Ų147.378%0.77577%0.77SS**  -158.8129.958.8-163.571.4000115.7
1062T28.7Very low29.5Very low118 Ų118151.3 Ų151.372%0.72478%0.775SS**  trans9.4144.6144.8-22.90000124
1063T26.6Very low29.1Very low122 Ų122156 Ų15675%0.74878%0.779SS**  trans-57.7166.6157.345.80000112.8
1064P27.8Very low29.2Very low107 Ų107157 Ų15770%0.69578%0.776SS**  cis-158.1-178.445.945.8-23.3000120.1
1065I24.6Very low28.7Very low154 Ų154150.2 Ų150.279%0.7976%0.76SS**  trans53.7151.6142.3-69.2161.8000121.9
1066H26.4Very low28.7Very low162 Ų162150.7 Ų150.775%0.7576%0.76SS**  trans103.5159.3154-126-95.7000120.9
1067N28.7Very low28.3Very low140 Ų140150.7 Ų150.775%0.74976%0.755SS**  trans79.677.2165.5-64.9-27.3000121
1068I25.1Very low28.1Very low144 Ų144151.9 Ų151.974%0.73876%0.757SS**  trans-70.9130.4151.5-59.2161000110.6R1070I1068-R1070 HydrophobicContact CG2-CG 4.2Å; I1068-R1070 PolarHBondContact O-N 3.06Å; I1068-R1070 VanDerWaalsContact O-N 3.13Å
1069P30.4Very low27.9Very low130 Ų130152.6 Ų152.684%0.84476%0.76SS**  trans-78.687167.9-15.532000113K1071P1069-K1071 PolarHBondContact O-N 3.06Å
1070R24.7Very low27.5Very low225 Ų225150.5 Ų150.585%0.84976%0.757SS**  trans-77.8111.9173.2-77.5178.5169.5167.4-4.6112.7I1068I1068-R1070 HydrophobicContact CG2-CG 4.2Å; I1068-R1070 PolarHBondContact O-N 3.06Å; I1068-R1070 VanDerWaalsContact O-N 3.13Å
1071K31.1Very low27.4Very low205 Ų205149.8 Ų149.889%0.89175%0.754SS**  trans-153.6139.6154.1-69.2-170.2-176175.30110.4P1069P1069-K1071 PolarHBondContact O-N 3.06Å
1072K29.1Very low27.2Very low202 Ų202147.4 Ų147.488%0.87875%0.749SS**  cis-162.8123.3-27.8-144.5-175.2-174.5-172.90105.1
1073I25.5Very low27.1Very low177 Ų177149.2 Ų149.291%0.90875%0.749SS**  trans-78.3132.4-174.3-62170.5000110.8
1074K28.7Very low27Very low176 Ų176150.2 Ų150.277%0.76575%0.75SS**  trans-157.5135.5149.4-165.5171.8-175.7178.60107.4E1076K1074-E1076 WeakPolarHBondContact CE-OE1 3.26Å; K1074-E1076 IonicContact NZ-OE1 2.8Å
1075G26Very low27Very low48 Ų48149.1 Ų149.150%0.49575%0.749SS.*  cis144.9148300000108.4
1076E28.9Very low27.1Very low153 Ų153149.9 Ų149.972%0.71576%0.755SS**  trans65.3160.7179.5-57.2129-117.700115.4K1074K1074-E1076 WeakPolarHBondContact CE-OE1 3.26Å; K1074-E1076 IonicContact NZ-OE1 2.8Å
1077Q26.5Very low27.1Very low145 Ų145148.7 Ų148.768%0.67875%0.754SS**  cis-164.8149.2-38.3-176.1148.4-28.300109.2
1078E27.5Very low27.1Very low151 Ų151149.2 Ų149.271%0.70676%0.756SS**  trans57.8177.7161.5-79.4155.6-151.400120.6
1079Q26.9Very low27Very low150 Ų150147.8 Ų147.870%0.70175%0.753SS**  -173.3135.7-60.6171.3166.4-38.300109.8
1080N25.8Very low26.9Very low125 Ų125148.6 Ų148.667%0.66875%0.749SS**  trans59.3174170.8-65.96000115.4
1081E26.8Very low27.1Very low164 Ų164146.4 Ų146.477%0.76675%0.746SS**  cis-137.5-169.3-1.2-152.5139139.100112.4
1082C24.4Very low26.7Very low98 Ų98143.2 Ų143.266%0.66274%0.739SS**  trans-64.5176.4175.1-62.30000112.4
1083Q26.7Very low26.6Very low156 Ų156141.5 Ų141.573%0.72974%0.739SS**  cis-161173.830.6-143.1117.51.800113
1084N26Very low26.6Very low143 Ų143141 Ų14177%0.76573%0.731SS**  trans5.7152.7146.4-58.82000120.4
1085A26.5Very low26.5Very low83 Ų83141 Ų14169%0.68673%0.733SS**  cis-177.1162.8-16.600000107
1086D27.8Very low26.6Very low171 Ų171143.4 Ų143.491%0.91474%0.742SS**  trans-164.6138.9141.4-113.7-23.4000111.9
1087D25.9Very low26.4Very low136 Ų136140.6 Ų140.673%0.72774%0.74SS**  trans-112.1129.6-173.2-140-38000109.7T1089D1087-T1089 PolarHBondContact OD1-OG1 3.02Å
1088I27.9Very low26.4Very low152 Ų152141.6 Ų141.678%0.77975%0.75SS**  trans-128.786.4165.5-56.5-175.5000109.4I1090I1088-I1090 HydrophobicContact CG2-CD1 4.41Å; I1088-I1090 HydrophobicContact CG2-CG1 4.32Å
1089T24.7Very low26.3Very low113 Ų113144.2 Ų144.269%0.69376%0.758SS**  trans-97.1110.4167.4-69.30000110.4D1087D1087-T1089 PolarHBondContact OD1-OG1 3.02Å
1090I27.6Very low26.4Very low147 Ų147142.9 Ų142.975%0.75476%0.763SS**  trans-127.291165.6-55.7-179.3000106.9I1088I1088-I1090 HydrophobicContact CG2-CD1 4.41Å; I1088-I1090 HydrophobicContact CG2-CG1 4.32Å
1091K28.4Very low26.5Very low179 Ų179141.9 Ų141.978%0.77877%0.766SS**  64.5106.893.4-87.6-175.8173.7173.30114.9
1092N23.6Very low26.6Very low139 Ų139144.7 Ų144.774%0.74378%0.775SS**  trans-2.4133.7146.7-50.9-13.9000117.4
1093D27Very low26.8Very low166 Ų166144 Ų14489%0.88878%0.777SS**  trans-112.1136142.8-120.2-32.8000109
1094F25.4Very low26.9Very low166 Ų166140.2 Ų140.273%0.72878%0.779SS**  trans-98.3-172.1178.6-116.2-107.4000110.1
1095H27Very low27.1Very low176 Ų176140.6 Ų140.682%0.81578%0.78SS**  trans75.5151178.3-42.2-77.4000114.6
1096S26.6Very low27.3Very low99 Ų99143.3 Ų143.369%0.69278%0.782SS**  cis-144.2147.30.3-171.20000112
1097S25.7Very low27.6Very low94 Ų94145 Ų14566%0.65778%0.776SS**  trans40.3103.5147620000119.6
1098N25.9Very low28Very low166 Ų166143.8 Ų143.889%0.88877%0.774SS**  -139.1113129.3-101.6-34.2000109P1100N1098-P1100 VanDerWaalsContact O-CD 3.27Å; N1098-P1100 WeakPolarHBondContact O-CD 3.43Å
1099K26.1Very low28.1Very low205 Ų205142.9 Ų142.989%0.89178%0.775SS**  trans-89.5111.8173.4-72-177.4177.4-1780109
1100P28.6Very low28.6Very low123 Ų123141.5 Ų141.580%0.79976%0.763SS**  trans-69.9128.414830.6-29.7000107.8N1098N1098-P1100 VanDerWaalsContact O-CD 3.27Å; N1098-P1100 WeakPolarHBondContact O-CD 3.43Å
1101S28.3Very low29.2Very low103 Ų103140.3 Ų140.372%0.7277%0.765SS**  trans-73.7144.9-178.848.80000112.3A1103S1101-A1103 PolarHBondContact O-N 3.04Å
1102K29.2Very low29.8Very low223 Ų223137.6 Ų137.697%0.9776%0.763SS**  trans-37.8101.4164.4-171.5-177.6-174-175.90111.5
1103A28.7Very low30.6Very low84 Ų84136.9 Ų136.969%0.69476%0.759SS**  trans-143.313117600000107.8S1101S1101-A1103 PolarHBondContact O-N 3.04Å
1104G27.7Very low30.9Very low76 Ų76132.2 Ų132.278%0.78475%0.751SS**  trans-69147.7-172.900000113.1L1106G1104-L1106 PolarHBondContact O-N 3.06Å
1105I30.6Very low31.2Very low151 Ų151135.3 Ų135.377%0.77476%0.757SS**  trans-75.384167.6-58.5173.7000107W1107I1105-W1107 PolarHBondContact O-N 3.4Å
1106L31.1Very low31.4Very low141 Ų141131.9 Ų131.974%0.73874%0.742SS**  trans-75107.5177.8-171.371.7000109.4G1104 T1108G1104-L1106 PolarHBondContact O-N 3.06Å; L1106-T1108 HydrophobicContact CD2-CG2 3.79Å; L1106-T1108 HydrophobicContact CG-CG2 3.96Å; L1106-T1108 PolarHBondContact O-N 3.43Å; L1106-T1108 VanDerWaalsContact O-N 3.11Å
1107W33.3Very low31.9Very low207 Ų207138 Ų13878%0.78475%0.75SS**  trans-66.4107171.8-60.479000108.7I1105 W1117I1105-W1107 PolarHBondContact O-N 3.4Å; W1107-W1117 HydrophobicContact CE3-CZ3 4.09Å; W1107-W1117 AromaticContact CZ3-CZ3 3.83Å; W1107-W1117 HydrophobicContact CZ3-CZ3 3.83Å
1108T33.9Very low32.2Very low110 Ų110138.9 Ų138.968%0.67575%0.746SS**  trans-116.8123.7175.443.60000109.1L1106L1106-T1108 HydrophobicContact CD2-CG2 3.79Å; L1106-T1108 HydrophobicContact CG-CG2 3.96Å; L1106-T1108 PolarHBondContact O-N 3.43Å; L1106-T1108 VanDerWaalsContact O-N 3.11Å
1109V30.5Very low32.6Very low133 Ų133136 Ų13681%0.80673%0.73SS**  trans-74.8128.7167.1179.20000107.1P1111V1109-P1111 WeakPolarHBondContact O-CD 3.42Å
1110D35.5Very low32.9Very low83 Ų83132.9 Ų132.944%0.44472%0.723SS.*  trans-72.9115.9167.9-168.6-45.7000108.4V1112D1110-V1112 PolarHBondContact O-N 3.41Å; D1110-V1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-V1112 PolarHBondContact OD1-N 2.91Å
1111P39.9Very low33.2Very low122 Ų122131 Ų13179%0.79273%0.726SS**THydrogen-bonded Turntrans-77.8-2.5-174.834.1-36.4000113.5V1109V1109-P1111 WeakPolarHBondContact O-CD 3.42Å
1112V40.4Very low33.4Very low122 Ų122133.8 Ų133.874%0.73972%0.72SS**THydrogen-bonded Turntrans-98.6-50.2-174-172.80000112.2D1110D1110-V1112 PolarHBondContact O-N 3.41Å; D1110-V1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-V1112 PolarHBondContact OD1-N 2.91Å
1113D41Very low33.3Very low124 Ų124128.3 Ų128.366%0.66371%0.708SS**THydrogen-bonded Turntrans-108.6-18-169.6-91.9-47.2000115.5R1115D1113-R1115 WeakPolarHBondContact O-CB 3.32Å; D1113-R1115 WeakPolarHBondContact O-CG 3.44Å; D1113-R1115 PolarHBondContact O-N 2.9Å
1114G32.9Very low33.5Very low69 Ų69130.4 Ų130.471%0.71171%0.714SS**  trans576.816500000119.2
1115R32.7Very low33.8Very low230 Ų230136.3 Ų136.387%0.86871%0.713SS**SBendtrans-127.2-12.1-166.5-71.9-179.6179-152.2-1.8116.8D1113D1113-R1115 WeakPolarHBondContact O-CB 3.32Å; D1113-R1115 WeakPolarHBondContact O-CG 3.44Å; D1113-R1115 PolarHBondContact O-N 2.9Å
1116E30.4Very low33.7Very low105 Ų105134.6 Ų134.649%0.49171%0.712SS.*  trans-129.7124.6-173.3-60.2-154.5-133.500113.6I1118E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 HydrophobicContact CB-CG1 4.26Å; E1116-I1118 PolarHBondContact O-N 3.27Å
1117W36.7Very low33.7Very low226 Ų226133 Ų13386%0.85670%0.703SS**  trans-7579.9173.4-68.590.9000110.9W1107 L1119W1107-W1117 HydrophobicContact CE3-CZ3 4.09Å; W1107-W1117 AromaticContact CZ3-CZ3 3.83Å; W1107-W1117 HydrophobicContact CZ3-CZ3 3.83Å; W1117-L1119 PolarHBondContact O-N 2.99Å
1118I33.4Very low33.8Very low114 Ų114130.5 Ų130.559%0.58570%0.704SS**  trans-74.493.7-178.8-55.6-178.7000110.5E1116 N1120E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 HydrophobicContact CB-CG1 4.26Å; E1116-I1118 PolarHBondContact O-N 3.27Å; I1118-N1120 PolarHBondContact O-N 3.2Å
1119L32.9Very low33.6Very low104 Ų104131.4 Ų131.455%0.54570%0.704SS.*  trans-78.671.4-178.7-125149.8000111.8W1117 R1122W1117-L1119 PolarHBondContact O-N 2.99Å; L1119-R1122 HydrophobicContact CB-CG 4.11Å; L1119-R1122 HydrophobicContact CD2-CG 3.74Å; L1119-R1122 HydrophobicContact CG-CG 4.45Å; L1119-R1122 PolarHBondContact O-N 3.48Å
1120N33.2Very low33.5Very low141 Ų141130 Ų13075%0.75470%0.698SS**THydrogen-bonded Turntrans-56.2133.4172.9-75.1-40.2000110.7I1118I1118-N1120 PolarHBondContact O-N 3.2Å
1121G34.2Very low33.4Very low82 Ų82134.1 Ų134.185%0.84571%0.712SS**THydrogen-bonded Turntrans85.98.4179.200000116.3
1122R32.4Very low32.8Very low162 Ų162133.4 Ų133.461%0.61171%0.708SS**PPolyproline II helixtrans-54.9138.4171.8-91.9-172.3170.6-170.5-1.4111.8L1119L1119-R1122 HydrophobicContact CB-CG 4.11Å; L1119-R1122 HydrophobicContact CD2-CG 3.74Å; L1119-R1122 HydrophobicContact CG-CG 4.45Å; L1119-R1122 PolarHBondContact O-N 3.48Å
1123P28.7Very low32.4Very low109 Ų109131 Ų13171%0.70871%0.709SS**PPolyproline II helixtrans-56.7148.9163.226.7-33.9000109.4R1125P1123-R1125 PolarHBondContact O-N 3.44Å
1124P33.2Very low32Very low127 Ų127132.7 Ų132.783%0.82572%0.717SS**PPolyproline II helixtrans-55.2128.6-172.522.1-33.5000110.5
1125R32.3Very low31.9Very low200 Ų200134.1 Ų134.176%0.75572%0.716SS**PPolyproline II helixtrans-46.7130.7-176.8-70-173-176.5-169.52.3109.5P1123 L1127P1123-R1125 PolarHBondContact O-N 3.44Å; R1125-L1127 PolarHBondContact O-N 3.03Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å
1126P29.3Very low31.8Very low115 Ų115130.8 Ų130.875%0.74772%0.715SS**PPolyproline II helixtrans-54.7126.7168.325-33.2000107.4I1128P1126-I1128 PolarHBondContact O-N 2.96Å
1127L31Very low31.8Very low108 Ų108130.4 Ų130.457%0.56572%0.724SS**  trans-69.5106.9-170.5-71.9108.4000109.9R1125 N1129 K1131R1125-L1127 PolarHBondContact O-N 3.03Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å; L1127-N1129 CarbonylContact C-O 3.59Å; L1127-N1129 VanDerWaalsContact CB-O 3.31Å; L1127-N1129 WeakPolarHBondContact CB-O 3.32Å; L1127-N1129 CarbonylContact O-C 3.59Å; L1127-N1129 PolarHBondContact O-N 2.89Å; L1127-K1131 HydrophobicContact CD1-CD 4.22Å; L1127-K1131 HydrophobicContact CD2-CD 3.74Å; L1127-K1131 HydrophobicContact CD2-CG 4.05Å
1128I36.3Very low31.4Very low155 Ų155130.4 Ų130.480%0.79572%0.724SS**SBendtrans-63-28.2177.2-63.1173.8000110.4P1126P1126-I1128 PolarHBondContact O-N 2.96Å
1129N29.7Very low31.4Very low128 Ų128133.1 Ų133.168%0.68474%0.739SS**SBendtrans-77.1122.2158.5-73.7-6.9000109.4L1127 K1131L1127-N1129 CarbonylContact C-O 3.59Å; L1127-N1129 VanDerWaalsContact CB-O 3.31Å; L1127-N1129 WeakPolarHBondContact CB-O 3.32Å; L1127-N1129 CarbonylContact O-C 3.59Å; L1127-N1129 PolarHBondContact O-N 2.89Å; N1129-K1131 PolarHBondContact O-N 3.44Å
1130P27.4Very low31.4Very low103 Ų103133.1 Ų133.167%0.66975%0.748SS**  trans-64.5101.117427.1-33.5000109.9C1132P1130-C1132 PolarHBondContact O-N 3.16Å
1131K32.6Very low31.4Very low171 Ų171132.4 Ų132.474%0.74375%0.748SS**  trans-65.387.9164.5-97.2-174.1-179.8176.60108.2L1127 N1129 G1133L1127-K1131 HydrophobicContact CD1-CD 4.22Å; L1127-K1131 HydrophobicContact CD2-CD 3.74Å; L1127-K1131 HydrophobicContact CD2-CG 4.05Å; N1129-K1131 PolarHBondContact O-N 3.44Å; K1131-G1133 PolarHBondContact O-N 2.7Å
1132C28.8Very low31.3Very low106 Ų106134 Ų13472%0.71674%0.744SS**  trans-64.984.6159-760000108.1P1130 L1134P1130-C1132 PolarHBondContact O-N 3.16Å; C1132-L1134 HydrophobicContact CB-CG 4.4Å; C1132-L1134 PolarHBondContact O-N 3.36Å
1133G30.6Very low31.1Very low73 Ų73132.4 Ų132.475%0.75376%0.756SS**  trans-68.966.5168.200000110.5K1131 S1135K1131-G1133 PolarHBondContact O-N 2.7Å; G1133-S1135 VanDerWaalsContact C-N 3.3Å; G1133-S1135 PolarHBondContact O-N 3.46Å
1134L33Very low31.2Very low158 Ų158137.6 Ų137.683%0.82776%0.761SS**  trans-77.884.2171.7-72.3172.7000108.6C1132 N1136C1132-L1134 HydrophobicContact CB-CG 4.4Å; C1132-L1134 PolarHBondContact O-N 3.36Å; L1134-N1136 PolarHBondContact O-N 2.89Å
1135S31.9Very low30.9Very low100 Ų100137.2 Ų137.270%0.69976%0.762SS**  trans-64.7109.4165.2520000109.6G1133G1133-S1135 VanDerWaalsContact C-N 3.3Å; G1133-S1135 PolarHBondContact O-N 3.46Å
1136N29Very low31Very low159 Ų159136.5 Ų136.585%0.8576%0.764SS**SBendtrans56.5104.8166-50.8-24.1000114.8L1134L1134-N1136 PolarHBondContact O-N 2.89Å
1137S31Very low31Very low97 Ų97136.1 Ų136.168%0.67876%0.764SS**  -178.6139.768.9-173.10000111.7
1138R28.4Very low30.8Very low227 Ų227135.6 Ų135.686%0.85777%0.77SS**  trans37.892.1150.5-59.4174.9-175-145.9-0.2118.5
1139L33.5Very low30.6Very low171 Ų171136.8 Ų136.890%0.89577%0.771SS**  -176.3154.1103.9-93.8162.1000111.6
1140S32.9Very low30.6Very low104 Ų104140.2 Ų140.273%0.72778%0.781SS**  trans-65141.6-175.8450000113.3
1141V34.4Very low30.8Very low125 Ų125142.6 Ų142.676%0.75879%0.787SS**  -152.3143.478.9163.80000110.9C1143V1141-C1143 PolarHBondContact O-N 3.49Å
1142P32Very low30.7Very low117 Ų117139 Ų13976%0.7678%0.783SS**  trans-87.7105.2-178.633.4-34.2000114.2R1144P1142-R1144 PolarHBondContact O-N 3.26Å
1143C28.3Very low31Very low127 Ų127137.9 Ų137.986%0.85877%0.77SS**  trans-70.5100169.4-690000111.5V1141 S1145V1141-C1143 PolarHBondContact O-N 3.49Å; C1143-S1145 PolarHBondContact O-N 2.99Å
1144R29.2Very low31.2Very low218 Ų218139.4 Ų139.482%0.82377%0.769SS**  trans-78.7104.4-178.1-173.7-177.5-173.9-163.32.6111.5P1142 K1146P1142-R1144 PolarHBondContact O-N 3.26Å; R1144-K1146 PolarHBondContact O-N 3.32Å
1145S28.3Very low31.2Very low120 Ų120140.6 Ų140.684%0.83977%0.77SS**  trans-59.1107.5170.9-58.50000111C1143C1143-S1145 PolarHBondContact O-N 2.99Å
1146K33.3Very low31.3Very low185 Ų185139.9 Ų139.980%0.80476%0.758SS**  trans-81.9147.9167.2-77.2-173.9176-179.20110.2R1144R1144-K1146 PolarHBondContact O-N 3.32Å
1147S29.2Very low31.4Very low107 Ų107138.1 Ų138.175%0.74876%0.757SS**  trans-73.7159.1-176-168.40000113.2
1148S27.1Very low31.6Very low97 Ų97139.3 Ų139.368%0.67876%0.76SS**  trans58.683147.8-175.60000118.8
1149H31.3Very low31.9Very low180 Ų180138 Ų13883%0.83376%0.76SS**  trans-136.692.6151.1-72.8-72000111.3
1150F29.9Very low32.1Very low200 Ų200136 Ų13688%0.87776%0.758SS**  trans-77.8150.7145.8-78.3-92.6000107.9
1151L31.4Very low32.1Very low152 Ų152138.8 Ų138.880%0.79676%0.759SS**  trans6486-177.1-50.9177.2000114.4
1152S31.6Very low32Very low96 Ų96140.2 Ų140.267%0.67176%0.757SS**  trans-128.5135145.4-172.70000107.6S1154S1152-S1154 PolarHBondContact OG-OG 3.15Å
1153L34.7Very low32.1Very low82 Ų82144.6 Ų144.643%0.42976%0.764SS.*  trans-102.92.2-171.1-100.5159.1000113.3E1155 L1335 R1342L1153-E1155 PolarHBondContact O-N 3.26Å; L1153-L1335 HydrophobicContact CD1-CD2 3.75Å; L1153-R1342 VanDerWaalsContact CD2-NH2 3.3Å
1154S34.8Very low32.3Very low106 Ų106143.9 Ų143.974%0.74176%0.761SS**  trans-84.21.3-161.4-410000116.8S1152S1152-S1154 PolarHBondContact OG-OG 3.15Å
1155E33.2Very low32.5Very low183 Ų183138 Ų13886%0.85576%0.759SS**  trans-120.140-174.3-67.8-166.4149.600113.8L1153 C1157L1153-E1155 PolarHBondContact O-N 3.26Å; E1155-C1157 VanDerWaalsContact C-N 3.29Å; E1155-C1157 PolarHBondContact O-N 3.34Å; E1155-C1157 VanDerWaalsContact O-N 3.14Å
1156I33.1Very low32.7Very low85 Ų85139 Ų13944%0.43676%0.755SS.*  trans-8183.1159.8-56.7178.2000107.7T1158I1156-T1158 VanDerWaalsContact C-N 3.35Å; I1156-T1158 PolarHBondContact O-N 2.81Å
1157C31Very low32.7Very low122 Ų122135.6 Ų135.682%0.82475%0.752SS**  trans-68.790.5172.6-90.80000110.8E1155 K1159E1155-C1157 VanDerWaalsContact C-N 3.29Å; E1155-C1157 PolarHBondContact O-N 3.34Å; E1155-C1157 VanDerWaalsContact O-N 3.14Å; C1157-K1159 PolarHBondContact O-N 2.77Å
1158T36.4Very low33Very low121 Ų121137.3 Ų137.374%0.74275%0.752SS**PPolyproline II helixtrans-58.8120.1160.445.60000108.8I1156 P1160I1156-T1158 VanDerWaalsContact C-N 3.35Å; I1156-T1158 PolarHBondContact O-N 2.81Å; T1158-P1160 WeakPolarHBondContact O-CD 3.31Å
1159K35.3Very low33.5Very low199 Ų199140.6 Ų140.687%0.86576%0.762SS**PPolyproline II helixtrans-74.9123.8168.6-86.5-177.7173.2178.70108.3C1157 Q1161C1157-K1159 PolarHBondContact O-N 2.77Å; K1159-Q1161 PolarHBondContact O-N 3.24Å
1160P36.5Very low33.5Very low130 Ų130136.9 Ų136.984%0.84476%0.757SS**PPolyproline II helixtrans-64.2133.5163.9-15.930.8000108.9T1158T1158-P1160 WeakPolarHBondContact O-CD 3.31Å
1161Q33.7Very low33.6Very low163 Ų163132.6 Ų132.676%0.76275%0.752SS**  trans-111.3154.2169.9-157176-25.100108.7K1159K1159-Q1161 PolarHBondContact O-N 3.24Å
1162H32.5Very low33.8Very low155 Ų155137.1 Ų137.172%0.71876%0.758SS**  trans65.8101.5-179.3-61-87.5000117.1
1163K33.2Very low34.1Very low209 Ų209144.5 Ų144.591%0.90977%0.771SS**  -127.9156.2116-146.4159.5-171.4170.80108.7
1164S33.2Very low34.1Very low112 Ų112144.3 Ų144.378%0.78379%0.789SS**  trans-70.2158.9-159.437.80000114.9
1165A33.5Very low34.2Very low95 Ų95144.7 Ų144.779%0.78579%0.786SS**  trans-74.2152170.900000111.6
1166N32Very low34.4Very low139 Ų139144.9 Ų144.974%0.74379%0.787SS**  trans-121.6118.7154.9-170.836.2000107.6D1168N1166-D1168 PolarHBondContact O-N 3.49Å
1167P33Very low34.4Very low114 Ų114147.9 Ų147.974%0.7480%0.804SS**  trans-94.759.4-168.638.3-36.5000113.1
1168D35.7Very low34.7Very low143 Ų143148.4 Ų148.477%0.76580%0.804SS**  trans-149.9104.6171.1-93.8-44.5000110.5N1166N1166-D1168 PolarHBondContact O-N 3.49Å
1169D37.9Very low34.4Very low166 Ų166153.5 Ų153.589%0.88881%0.809SS**  -170.2141.5116-151.7-18.4000109.3
1170S30.5Very low34.5Very low102 Ų102156 Ų15671%0.71381%0.814SS**  trans-130.5142.3-176.6720000112.1
1171S31.5Very low34.3Very low111 Ų111160.7 Ų160.778%0.77681%0.814SS**  trans72.692.5177.7-159.20000117.5
1172R36.5Very low34.4Very low246 Ų246164.5 Ų164.593%0.92882%0.822SS**  -170.1136.2104.8-99.7166.9-175.5-125.1-2112.4
1173R38.3Very low34.5Very low252 Ų252168.5 Ų168.595%0.95183%0.831SS**  trans-88.7139.4169-68.3-175.7-180-169.72109.9
1174G33.5Very low34.4Very low77 Ų77163.2 Ų163.279%0.79482%0.82SS**  trans-157.4115.1167.400000109.5
1175V37.6Very low34.4Very low114 Ų114165.6 Ų165.669%0.69182%0.823SS**  trans-100.1124.9-168.5176.80000111.3N1177V1175-N1177 HydrophobicContact CG1-CB 4.2Å
1176Q37.5Very low34.5Very low188 Ų188166.4 Ų166.488%0.87982%0.818SS**  trans-114.1120.6155-72.3-165.2-5.500109.8
1177N33.3Very low34.5Very low147 Ų147166 Ų16679%0.78682%0.821SS**  trans-105.893-167.9-113.8-29.6000111.7V1175V1175-N1177 HydrophobicContact CG1-CB 4.2Å
1178T36.6Very low34.5Very low134 Ų134162.8 Ų162.882%0.82281%0.808SS**  trans-120.250178.245.40000114.6
1179R31.5Very low34.4Very low227 Ų227162 Ų16286%0.85781%0.808SS**  47.483129.7-166.3-163.7-164.6-1628.8117.4
1180R35.5Very low34Very low252 Ų252161.1 Ų161.195%0.95180%0.804SS**  trans-136.3119.3148.1-139.5170-1741721.3112.2R1182R1180-R1182 PolarHBondContact O-N 3.13Å
1181R34.3Very low34.3Very low229 Ų229164 Ų16486%0.86481%0.811SS**  trans-70.6116.8-168.7-70.5172.2166.6162.3-8.1112.2
1182R35.2Very low34.2Very low242 Ų242162.1 Ų162.191%0.91380%0.797SS**  trans-70.9129.1147.9-83.1-177.4167.3167.1-2.6108.1R1180 S1184R1180-R1182 PolarHBondContact O-N 3.13Å; R1182-S1184 VanDerWaalsContact C-N 3.34Å; R1182-S1184 PolarHBondContact O-N 2.98Å; R1182-S1184 VanDerWaalsContact O-N 3.13Å
1183R33.1Very low34Very low240 Ų240158.2 Ų158.291%0.90679%0.789SS**  trans-78.287.6164.9-89.5-177.3162.3177.5-6.4108.1
1184S33.1Very low33.9Very low98 Ų98151.3 Ų151.369%0.68579%0.786SS**  trans-80.5115.3166.1-149.90000108.2R1182 V1186R1182-S1184 VanDerWaalsContact C-N 3.34Å; R1182-S1184 PolarHBondContact O-N 2.98Å; R1182-S1184 VanDerWaalsContact O-N 3.13Å; S1184-V1186 PolarHBondContact O-N 2.68Å; S1184-V1186 VanDerWaalsContact O-N 3.07Å; S1184-V1186 WeakPolarHBondContact OG-CG2 3.44Å
1185L32.5Very low34Very low161 Ų161156.6 Ų156.684%0.84379%0.79SS**  trans-82.772172.2-105.3161.7000108.6T1187L1185-T1187 PolarHBondContact O-N 2.91Å
1186V34.9Very low33.7Very low113 Ų113155.8 Ų155.869%0.68579%0.79SS**  trans-89.486172.2-176.30000108.1S1184 G1188S1184-V1186 PolarHBondContact O-N 2.68Å; S1184-V1186 VanDerWaalsContact O-N 3.07Å; S1184-V1186 WeakPolarHBondContact OG-CG2 3.44Å; V1186-G1188 PolarHBondContact O-N 3.09Å; V1186-G1188 VanDerWaalsContact O-N 3.08Å
1187T33.1Very low33.6Very low131 Ų131154 Ų15480%0.80479%0.786SS**  trans-78.764.7157.545.10000108.7L1185L1185-T1187 PolarHBondContact O-N 2.91Å
1188G31.7Very low33.9Very low45 Ų45154.9 Ų154.946%0.46479%0.789SS.*  trans-99.6106.3169.200000108.5V1186 N1190V1186-G1188 PolarHBondContact O-N 3.09Å; V1186-G1188 VanDerWaalsContact O-N 3.08Å; G1188-N1190 PolarHBondContact O-N 3.47Å; G1188-N1190 VanDerWaalsContact O-N 3.16Å
1189T33.4Very low33.7Very low126 Ų126158.2 Ų158.277%0.77380%0.795SS**  trans-7892.7174.642.90000109.5L1191T1189-L1191 VanDerWaalsContact C-N 3.28Å; T1189-L1191 PolarHBondContact O-N 2.82Å
1190N31.1Very low33.8Very low149 Ų149151.9 Ų151.980%0.79779%0.786SS**  trans-70.385170.4-69.2-19.4000109.8G1188G1188-N1190 PolarHBondContact O-N 3.47Å; G1188-N1190 VanDerWaalsContact O-N 3.16Å
1191L35.9Very low33.9Very low163 Ų163149.5 Ų149.585%0.85378%0.782SS**  trans-102.274.5160-86.284.5000108.9T1189T1189-L1191 VanDerWaalsContact C-N 3.28Å; T1189-L1191 PolarHBondContact O-N 2.82Å
1192S29Very low33.6Very low71 Ų71142.8 Ų142.850%0.49778%0.784SS.*  trans-157.1152.7164.156.20000108.7
1193H32.8Very low33.4Very low163 Ų163134.6 Ų134.676%0.75578%0.775SS**SBendtrans68.166.8-171.4-54.6-72.2000116.3
1194A35.8Very low33.4Very low108 Ų108130.2 Ų130.289%0.89378%0.775SS**SBendtrans-142.720.9154.400000112.5
1195E35.6Very low33.7Very low188 Ų188134.6 Ų134.688%0.87978%0.782SS**  trans-148.155.6-168.7-159.9156.2-152.500111.3
1196S31.3Very low33.7Very low97 Ų97133 Ų13368%0.67877%0.774SS**SBendtrans-145.631.8175.867.90000112.4
1197D36.6Very low33.8Very low151 Ų151136.1 Ų136.181%0.80778%0.783SS**SBendtrans-154.389174.9-97.6-45.6000108.5
1198I38.4Very low33.9Very low165 Ų165137.2 Ų137.285%0.84678%0.784SS**  trans172.857.9157-86.9150.6000108S1200I1198-S1200 PolarHBondContact O-N 3.34Å
1199Q32.7Very low33.9Very low203 Ų203140 Ų14095%0.94980%0.796SS**  trans-93.676.7160.6-81-163.9-1.500110.1
1200S33.6Very low34.1Very low94 Ų94142.3 Ų142.366%0.65780%0.803SS**  trans-166.3152.4150.561.40000111.9I1198I1198-S1200 PolarHBondContact O-N 3.34Å
1201K37.7Very low34.2Very low203 Ų203139.7 Ų139.788%0.88379%0.789SS**SBendtrans6672.5170.3-56.1-167.5-180-173.60117.1
1202G28.8Very low34.3Very low88 Ų88136.7 Ų136.791%0.90778%0.779SS**  trans31.9108.213100000119.3
1203G30.3Very low34.9Very low70 Ų70137.1 Ų137.172%0.72278%0.776SS**  trans-167.193.4165.200000110K1205G1203-K1205 PolarHBondContact O-N 2.88Å
1204V32.9Very low35.2Very low148 Ų148138.6 Ų138.690%0.89778%0.776SS**  trans-62.7118.9178.4-179.60000109.1
1205K38.7Very low35.5Very low190 Ų190141.6 Ų141.683%0.82677%0.772SS**  trans-144.4140.4171.5-79.4-168.6172.9-179.20109.9G1203G1203-K1205 PolarHBondContact O-N 2.88Å
1206D32.5Very low36.1Very low128 Ų128134.3 Ų134.368%0.68474%0.742SS**  trans-77.3128.1-161.3-46.8-88.6000113.2N1208D1206-N1208 PolarHBondContact O-N 2.82Å
1207M37Very low36.9Very low178 Ų178134 Ų13488%0.87773%0.732SS**SBendtrans-73.920.7174.2-80-66.8-157.200113.9
1208N35.4Very low37.8Very low153 Ų153134 Ų13482%0.81873%0.728SS**  trans-104.432.6-170.8-70.5-13.7000113.7D1206D1206-N1208 PolarHBondContact O-N 2.82Å
1209S32.6Very low38.3Very low104 Ų104129 Ų12973%0.72771%0.71SS**  trans-1237.9-172.760.80000116.8N1211S1209-N1211 VanDerWaalsContact C-N 3.29Å; S1209-N1211 PolarHBondContact O-N 3.36Å
1210L36.7Very low39.5Very low175 Ų175124.5 Ų124.592%0.91669%0.688SS**  trans-70.885.7163.5-90.4166.8000109.8P1212L1210-P1212 VanDerWaalsContact O-CD 3.25Å; L1210-P1212 WeakPolarHBondContact O-CD 3.48Å
1211N34.1Very low40.8Very low94 Ų94127.9 Ų127.950%0.50369%0.686SS.*  trans-71.1110-169-177.92.6000113.1S1209 N1213S1209-N1211 VanDerWaalsContact C-N 3.29Å; S1209-N1211 PolarHBondContact O-N 3.36Å; N1211-N1213 PolarHBondContact O-N 2.7Å; N1211-N1213 VanDerWaalsContact O-N 3.08Å; N1211-N1213 VanDerWaalsContact OD1-CB 3.28Å; N1211-N1213 WeakPolarHBondContact OD1-CB 3.28Å; N1211-N1213 PolarHBondContact OD1-N 2.91Å; N1211-N1213 VanDerWaalsContact OD1-N 3.11Å; N1211-N1213 PolarHBondContact OD1-ND2 2.81Å
1212P37.9Very low41.8Very low99 Ų99123.3 Ų123.364%0.64367%0.671SS**THydrogen-bonded Turntrans-71.1-5.2-177.331-36.6000113.8L1210 Y1214 E1215 S1216L1210-P1212 VanDerWaalsContact O-CD 3.25Å; L1210-P1212 WeakPolarHBondContact O-CD 3.48Å; P1212-Y1214 VanDerWaalsContact C-N 3.26Å; P1212-Y1214 PolarHBondContact O-N 3.1Å; P1212-E1215 PolarHBondContact O-N 2.99Å; P1212-S1216 PolarHBondContact O-N 2.79Å
1213N41.1Very low43.1Very low80 Ų80122.8 Ų122.843%0.42865%0.65SS.*Hα-helixtrans-68.8-18.8-177.3-73.6-78.1000114.3N1211 S1216 N1217N1211-N1213 PolarHBondContact O-N 2.7Å; N1211-N1213 VanDerWaalsContact O-N 3.08Å; N1211-N1213 VanDerWaalsContact OD1-CB 3.28Å; N1211-N1213 WeakPolarHBondContact OD1-CB 3.28Å; N1211-N1213 PolarHBondContact OD1-N 2.91Å; N1211-N1213 VanDerWaalsContact OD1-N 3.11Å; N1211-N1213 PolarHBondContact OD1-ND2 2.81Å; N1213-S1216 PolarHBondContact O-OG 3.31Å; N1213-N1217 WeakPolarHBondContact O-CB 3.24Å; N1213-N1217 PolarHBondContact O-N 3.37Å; N1213-N1217 PolarHBondContact O-ND2 3.48Å
1214Y40Very low44.9Very low195 Ų195125.8 Ų125.877%0.76565%0.645SS**Hα-helixtrans-68.8-41.7176.4-98.2-82.5000112.6P1212 N1217P1212-Y1214 VanDerWaalsContact C-N 3.26Å; P1212-Y1214 PolarHBondContact O-N 3.1Å; Y1214-N1217 PolarHBondContact O-N 3.25Å
1215E41.8Very low46.1Very low170 Ų170123.3 Ų123.379%0.79463%0.627SS**Hα-helixtrans-76.4-39.3-179.4-154.6157.2-149.100111.1P1212 N1217 E1218 A1219P1212-E1215 PolarHBondContact O-N 2.99Å; E1215-N1217 PolarHBondContact O-N 2.9Å; E1215-E1218 PolarHBondContact O-N 2.96Å; E1215-A1219 PolarHBondContact O-N 3.41Å
1216S48.2Very low46.9Very low35 Ų35117.4 Ų117.425%0.24560%0.603CS.*Hα-helixtrans-63.3-23.2173.786.40000113.5P1212 N1213 K1220P1212-S1216 PolarHBondContact O-N 2.79Å; N1213-S1216 PolarHBondContact O-OG 3.31Å; S1216-K1220 VanDerWaalsContact O-CB 3.29Å; S1216-K1220 WeakPolarHBondContact O-CB 3.42Å; S1216-K1220 WeakPolarHBondContact O-CD 3.39Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.17Å; S1216-K1220 PolarHBondContact OG-NZ 3.04Å
1217N48.4Very low48.5Very low91 Ų91116.3 Ų116.349%0.48760%0.597SS.*Hα-helixtrans-73.3-31.8177-85.1-34000113N1213 Y1214 E1215 R1221N1213-N1217 WeakPolarHBondContact O-CB 3.24Å; N1213-N1217 PolarHBondContact O-N 3.37Å; N1213-N1217 PolarHBondContact O-ND2 3.48Å; Y1214-N1217 PolarHBondContact O-N 3.25Å; E1215-N1217 PolarHBondContact O-N 2.9Å; N1217-R1221 VanDerWaalsContact O-CB 3.3Å; N1217-R1221 WeakPolarHBondContact O-CB 3.49Å; N1217-R1221 PolarHBondContact O-N 3.26Å; N1217-R1221 VanDerWaalsContact O-N 3.17Å
1218E54.7Low49.9Very low152 Ų152110.3 Ų110.371%0.7158%0.576SS**Hα-helixtrans-73.1-40.5172.4-62.6-150.4142.500110.9E1215 R1221 L1222E1215-E1218 PolarHBondContact O-N 2.96Å; E1218-R1221 PolarHBondContact O-N 3.37Å; E1218-L1222 PolarHBondContact O-N 3.3Å
1219A49.9Very low50.8Low58 Ų58106.5 Ų106.548%0.47956%0.558SS.*Hα-helixtrans-60.6-49.3173.600000112.7E1215 R1221 L1222 V1223E1215-A1219 PolarHBondContact O-N 3.41Å; A1219-R1221 PolarHBondContact O-N 3.09Å; A1219-L1222 WeakPolarHBondContact O-CB 3.49Å; A1219-L1222 PolarHBondContact O-N 2.95Å; A1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; A1219-V1223 PolarHBondContact O-N 2.82Å
1220K56.5Low51.7Low110 Ų110107.7 Ų107.748%0.47855%0.547SS..Hα-helixtrans-58.8-36.2176.1-75.8162.7-176.31560112.3S1216 Q1224S1216-K1220 VanDerWaalsContact O-CB 3.29Å; S1216-K1220 WeakPolarHBondContact O-CB 3.42Å; S1216-K1220 WeakPolarHBondContact O-CD 3.39Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.17Å; S1216-K1220 PolarHBondContact OG-NZ 3.04Å; K1220-Q1224 WeakPolarHBondContact O-CG 3.32Å; K1220-Q1224 PolarHBondContact O-N 3.19Å
1221R61.1Low53Low165 Ų165101.7 Ų101.762%0.62352%0.522SS*.Hα-helixtrans-69.8-42.6176.5-168.5-177.2-163.2165.49.1112.2N1217 E1218 A1219 V1223 Q1224 D1225N1217-R1221 VanDerWaalsContact O-CB 3.3Å; N1217-R1221 WeakPolarHBondContact O-CB 3.49Å; N1217-R1221 PolarHBondContact O-N 3.26Å; N1217-R1221 VanDerWaalsContact O-N 3.17Å; E1218-R1221 PolarHBondContact O-N 3.37Å; A1219-R1221 PolarHBondContact O-N 3.09Å; R1221-V1223 VanDerWaalsContact C-N 3.29Å; R1221-V1223 PolarHBondContact O-N 2.84Å; R1221-Q1224 PolarHBondContact O-N 2.84Å; R1221-D1225 PolarHBondContact O-N 3.16Å
1222L58.8Low54.5Low107 Ų107103.9 Ų103.956%0.5653%0.529SS*.Hα-helixtrans-58.2-43.3174-169.475.8000111E1218 A1219 D1225 I1226E1218-L1222 PolarHBondContact O-N 3.3Å; A1219-L1222 WeakPolarHBondContact O-CB 3.49Å; A1219-L1222 PolarHBondContact O-N 2.95Å; L1222-D1225 PolarHBondContact O-N 3.23Å; L1222-I1226 HydrophobicContact CG-CD1 4.08Å; L1222-I1226 WeakPolarHBondContact O-CB 3.41Å; L1222-I1226 WeakPolarHBondContact O-CD1 3.37Å; L1222-I1226 VanDerWaalsContact O-CG1 3.25Å; L1222-I1226 WeakPolarHBondContact O-CG1 3.31Å; L1222-I1226 PolarHBondContact O-N 3.49Å
1223V57.8Low55.3Low77 Ų77103.5 Ų103.547%0.46752%0.519SS..Hα-helixtrans-62.8-42.1175.4173.30000111.8A1219 R1221 I1226 L1227A1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; A1219-V1223 PolarHBondContact O-N 2.82Å; R1221-V1223 VanDerWaalsContact C-N 3.29Å; R1221-V1223 PolarHBondContact O-N 2.84Å; V1223-I1226 PolarHBondContact O-N 3.14Å; V1223-L1227 HydrophobicContact CG1-CD1 4.11Å; V1223-L1227 WeakPolarHBondContact O-CG 3.34Å; V1223-L1227 PolarHBondContact O-N 3.04Å
1224Q67.4Low56.3Low133 Ų133107 Ų10762%0.62153%0.532SS*.Hα-helixtrans-63.7-43174.7-75.6-177.3-7.700112.7K1220 R1221 I1226 L1227 A1228K1220-Q1224 WeakPolarHBondContact O-CG 3.32Å; K1220-Q1224 PolarHBondContact O-N 3.19Å; R1221-Q1224 PolarHBondContact O-N 2.84Å; Q1224-I1226 VanDerWaalsContact C-N 3.33Å; Q1224-I1226 PolarHBondContact O-N 3.02Å; Q1224-L1227 PolarHBondContact O-N 3.09Å; Q1224-A1228 WeakPolarHBondContact O-CB 3.24Å; Q1224-A1228 PolarHBondContact O-N 2.95Å
1225D57.6Low57.3Low95 Ų95104.9 Ų104.951%0.50853%0.534SS..Hα-helixtrans-64.5-37.4176.6-71.6-21.2000111R1221 L1222 A1228 V1229R1221-D1225 PolarHBondContact O-N 3.16Å; L1222-D1225 PolarHBondContact O-N 3.23Å; D1225-A1228 PolarHBondContact O-N 2.91Å; D1225-V1229 VanDerWaalsContact O-CG2 3.32Å; D1225-V1229 WeakPolarHBondContact O-CG2 3.49Å; D1225-V1229 PolarHBondContact O-N 3.07Å
1226I55.6Low57.8Low66 Ų6699.9 Ų99.934%0.33852%0.519SS..Hα-helixtrans-65.5-43.2174-71.1164.5000111.8L1222 V1223 Q1224 V1229 R1230L1222-I1226 HydrophobicContact CG-CD1 4.08Å; L1222-I1226 WeakPolarHBondContact O-CB 3.41Å; L1222-I1226 WeakPolarHBondContact O-CD1 3.37Å; L1222-I1226 VanDerWaalsContact O-CG1 3.25Å; L1222-I1226 WeakPolarHBondContact O-CG1 3.31Å; L1222-I1226 PolarHBondContact O-N 3.49Å; V1223-I1226 PolarHBondContact O-N 3.14Å; Q1224-I1226 VanDerWaalsContact C-N 3.33Å; Q1224-I1226 PolarHBondContact O-N 3.02Å; I1226-V1229 PolarHBondContact O-N 3.4Å; I1226-R1230 PolarHBondContact O-N 3.33Å
1227L66.3Low57.2Low106 Ų106100.8 Ų100.856%0.55553%0.533SS*.Hα-helixtrans-65-39.6177.2-73.1170.2000111.8V1223 Q1224 R1230 A1231V1223-L1227 HydrophobicContact CG1-CD1 4.11Å; V1223-L1227 WeakPolarHBondContact O-CG 3.34Å; V1223-L1227 PolarHBondContact O-N 3.04Å; Q1224-L1227 PolarHBondContact O-N 3.09Å; L1227-R1230 PolarHBondContact O-N 2.95Å; L1227-A1231 PolarHBondContact O-N 2.98Å
1228A65.6Low56.7Low52 Ų52104.6 Ų104.643%0.4355%0.546SS..Hα-helixtrans-61.8-42.6173.200000111.9Q1224 D1225 R1230 A1231 E1232Q1224-A1228 WeakPolarHBondContact O-CB 3.24Å; Q1224-A1228 PolarHBondContact O-N 2.95Å; D1225-A1228 PolarHBondContact O-N 2.91Å; A1228-R1230 PolarHBondContact O-N 2.88Å; A1228-A1231 PolarHBondContact O-N 3.14Å; A1228-E1232 PolarHBondContact O-N 2.91Å
1229V55.9Low56Low73 Ų73103.6 Ų103.644%0.44255%0.55SS..Hα-helixtrans-66.4-33.3176.1170.90000112.4D1225 I1226 Q1233D1225-V1229 VanDerWaalsContact O-CG2 3.32Å; D1225-V1229 WeakPolarHBondContact O-CG2 3.49Å; D1225-V1229 PolarHBondContact O-N 3.07Å; I1226-V1229 PolarHBondContact O-N 3.4Å; V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.45Å; V1229-Q1233 PolarHBondContact O-N 3.07Å
1230R50.7Low55.3Low129 Ų129108.9 Ų108.949%0.48756%0.558SS.*Hα-helixtrans-64.7-46.6171.2-72.8-166.9-171.5-1635.8111.6I1226 L1227 A1228 E1232 Q1233 E1234I1226-R1230 PolarHBondContact O-N 3.33Å; L1227-R1230 PolarHBondContact O-N 2.95Å; A1228-R1230 PolarHBondContact O-N 2.88Å; R1230-E1232 VanDerWaalsContact C-N 3.34Å; R1230-E1232 PolarHBondContact O-N 2.96Å; R1230-Q1233 WeakPolarHBondContact O-CB 3.46Å; R1230-Q1233 PolarHBondContact O-N 3.33Å; R1230-E1234 PolarHBondContact O-N 2.85Å
1231A63.7Low54.3Low48 Ų48113 Ų11340%0.39758%0.576SS.*Hα-helixtrans-59-44176.200000111.7L1227 A1228 Q1233 E1234 D1235L1227-A1231 PolarHBondContact O-N 2.98Å; A1228-A1231 PolarHBondContact O-N 3.14Å; A1231-Q1233 VanDerWaalsContact C-N 3.29Å; A1231-Q1233 PolarHBondContact O-N 3.38Å; A1231-E1234 PolarHBondContact O-N 3.33Å; A1231-D1235 WeakPolarHBondContact O-CB 3.43Å; A1231-D1235 PolarHBondContact O-N 2.69Å
1232E65.8Low53.1Low141 Ų141110.4 Ų110.466%0.65958%0.58SS**Hα-helixtrans-63.3-30.1173.7-72.7-170.7170.800113.2A1228 R1230 S1236A1228-E1232 PolarHBondContact O-N 2.91Å; R1230-E1232 VanDerWaalsContact C-N 3.34Å; R1230-E1232 PolarHBondContact O-N 2.96Å; E1232-S1236 WeakPolarHBondContact O-CB 3.47Å; E1232-S1236 PolarHBondContact O-N 3.44Å; E1232-S1236 PolarHBondContact O-OG 2.91Å
1233Q53.8Low52Low91 Ų91109.8 Ų109.843%0.42558%0.577SS.*Hα-helixtrans-75.1-36.2175.4-77.21785.700113.1V1229 R1230 A1231 S1236 G1237 F1238V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.45Å; V1229-Q1233 PolarHBondContact O-N 3.07Å; R1230-Q1233 WeakPolarHBondContact O-CB 3.46Å; R1230-Q1233 PolarHBondContact O-N 3.33Å; A1231-Q1233 VanDerWaalsContact C-N 3.29Å; A1231-Q1233 PolarHBondContact O-N 3.38Å; Q1233-S1236 PolarHBondContact O-OG 3.19Å; Q1233-G1237 PolarHBondContact O-N 3.16Å; Q1233-F1238 PolarHBondContact O-N 3.26Å
1234E62.4Low51.1Low152 Ų152110.1 Ų110.171%0.7158%0.579SS**Hα-helixtrans-68.5-50.9173.1-70.5175.5-174.900110.7R1230 A1231 S1236 G1237R1230-E1234 PolarHBondContact O-N 2.85Å; A1231-E1234 PolarHBondContact O-N 3.33Å; E1234-S1236 VanDerWaalsContact C-N 3.31Å; E1234-S1236 PolarHBondContact O-N 2.8Å; E1234-G1237 PolarHBondContact O-N 3.03Å; E1234-G1237 VanDerWaalsContact O-N 3.15Å
1235D62.7Low49.8Very low151 Ų151111.8 Ų111.881%0.80759%0.591SS**Hα-helixtrans-61.7-33.1177.5-87.1-17.5000113.4A1231 G1237A1231-D1235 WeakPolarHBondContact O-CB 3.43Å; A1231-D1235 PolarHBondContact O-N 2.69Å; D1235-G1237 VanDerWaalsContact C-N 3.34Å
1236S51Low48.9Very low66 Ų66113.3 Ų113.346%0.46260%0.603SS.*THydrogen-bonded Turntrans-84.4-5.4179.2640000114.2E1232 Q1233 E1234 F1238E1232-S1236 WeakPolarHBondContact O-CB 3.47Å; E1232-S1236 PolarHBondContact O-N 3.44Å; E1232-S1236 PolarHBondContact O-OG 2.91Å; Q1233-S1236 PolarHBondContact O-OG 3.19Å; E1234-S1236 VanDerWaalsContact C-N 3.31Å; E1234-S1236 PolarHBondContact O-N 2.8Å; S1236-F1238 PolarHBondContact O-N 2.79Å
1237G35.7Very low48.2Very low54 Ų54112 Ų11256%0.55760%0.6SS**THydrogen-bonded Turntrans66.118.4177.400000114.6Q1233 E1234 D1235 V1239Q1233-G1237 PolarHBondContact O-N 3.16Å; E1234-G1237 PolarHBondContact O-N 3.03Å; E1234-G1237 VanDerWaalsContact O-N 3.15Å; D1235-G1237 VanDerWaalsContact C-N 3.34Å; G1237-V1239 PolarHBondContact O-N 3.15Å
1238F38.9Very low47.2Very low171 Ų171109 Ų10975%0.7559%0.586SS**  trans-77.942.6-179.2-97.3-87.3000113.1Q1233 S1236 R1240Q1233-F1238 PolarHBondContact O-N 3.26Å; S1236-F1238 PolarHBondContact O-N 2.79Å; F1238-R1240 PolarHBondContact O-N 2.78Å
1239V40Very low46.3Very low131 Ų131108.4 Ų108.479%0.79458%0.576SS**  trans-73.271.4-179.2-170.70000110.4G1237G1237-V1239 PolarHBondContact O-N 3.15Å
1240R35Very low46.2Very low169 Ų169108.4 Ų108.464%0.63857%0.573SS**  trans-141.59.5178.4-124.4-179.3-171.5-169.93.7117.7F1238F1238-R1240 PolarHBondContact O-N 2.78Å
1241F35.2Very low46Very low196 Ų196106 Ų10686%0.8657%0.569SS**SBendtrans-132.2115.6158.9-82.1-82.6000109.3L1243F1241-L1243 PolarHBondContact O-N 3.12Å; F1241-L1243 VanDerWaalsContact O-N 3.11Å
1242P35.2Very low45.6Very low110 Ų110107.8 Ų107.871%0.71458%0.576SS**  trans-75.9100.5176.530.4-32.3000109.7T1244P1242-T1244 PolarHBondContact O-N 3.4Å
1243L35.1Very low45Very low94 Ų94101.7 Ų101.749%0.49255%0.55SS.*  trans-7087.7155.6-68.6174.8000107.2F1241 I1245 I1251F1241-L1243 PolarHBondContact O-N 3.12Å; F1241-L1243 VanDerWaalsContact O-N 3.11Å; L1243-I1245 PolarHBondContact O-N 3.17Å; L1243-I1251 HydrophobicContact CD1-CD1 4.28Å; L1243-I1251 HydrophobicContact CD2-CD1 4.44Å; L1243-I1251 HydrophobicContact CD2-CG1 4.04Å
1244T39.2Very low44.9Very low84 Ų84103.5 Ų103.552%0.51555%0.553SS.*  trans-58.7135.7176.643.40000109.9P1242 T1246P1242-T1244 PolarHBondContact O-N 3.4Å; T1244-T1246 PolarHBondContact O-N 3.34Å
1245I39.8Very low44.6Very low168 Ų168104.4 Ų104.486%0.86255%0.55SS**THydrogen-bonded Turntrans-70.514.9-158.8-16.3178.1000114.8L1243L1243-I1245 PolarHBondContact O-N 3.17Å
1246T40.6Very low44.4Very low127 Ų12799.6 Ų99.678%0.77953%0.526SS*.THydrogen-bonded Turntrans-121.23.1-16551.90000114T1244T1244-T1246 PolarHBondContact O-N 3.34Å
1247S40.1Very low44.7Very low39 Ų3998.7 Ų98.727%0.27352%0.516SS..  trans-106.3113.8176.373.10000112.5L1249 W1254S1247-L1249 PolarHBondContact O-N 3.02Å; S1247-L1249 PolarHBondContact OG-O 3.21Å; S1247-W1254 PolarHBondContact OG-NE1 3.16Å
1248V44.4Very low45.9Very low43 Ų43102 Ų10226%0.26152%0.516SS..  trans-77.2-11.6175.3178.20000112.6I1368 L1371 I1372 L1375V1248-I1368 HydrophobicContact CB-CG2 4.21Å; V1248-I1368 HydrophobicContact CG1-CB 4.45Å; V1248-I1368 HydrophobicContact CG1-CG2 3.97Å; V1248-L1371 HydrophobicContact CG1-CB 4.13Å; V1248-L1371 HydrophobicContact CG1-CD2 3.56Å; V1248-L1371 HydrophobicContact CG1-CG 4.47Å; V1248-I1372 HydrophobicContact CB-CD1 4.48Å; V1248-I1372 HydrophobicContact CB-CG1 3.81Å; V1248-I1372 HydrophobicContact CG1-CG1 4.19Å; V1248-I1372 HydrophobicContact CG2-CB 4.47Å; V1248-I1372 HydrophobicContact CG2-CG1 3.47Å; V1248-I1372 VanDerWaalsContact CG2-CG1 3.47Å; V1248-L1375 HydrophobicContact CG2-CD1 3.97Å
1249L48Very low46.9Very low39 Ų3997 Ų9720%0.20450%0.502CS..SBendtrans-73.6127.7162.6-70.4144000110.2S1247 W1254 L1257 I1368S1247-L1249 PolarHBondContact O-N 3.02Å; S1247-L1249 PolarHBondContact OG-O 3.21Å; L1249-W1254 HydrophobicContact CB-CD2 4.42Å; L1249-W1254 HydrophobicContact CB-CG 4.26Å; L1249-W1254 VanDerWaalsContact O-CD1 3.29Å; L1249-W1254 PolarHBondContact O-NE1 3.03Å; L1249-L1257 HydrophobicContact CD1-CD1 3.51Å; L1249-L1257 HydrophobicContact CD2-CD1 4.26Å; L1249-I1368 HydrophobicContact CD2-CD1 3.68Å; L1249-I1368 HydrophobicContact CG-CD1 4.19Å
1250D54.2Low48.1Very low74 Ų7491.1 Ų91.140%0.39647%0.467SS..  trans-72.5176.517173.5-34.6000111.4T1252 G1253 W1254D1250-T1252 PolarHBondContact O-N 3.2Å; D1250-T1252 VanDerWaalsContact O-N 3.08Å; D1250-T1252 WeakPolarHBondContact OD2-CB 3.19Å; D1250-T1252 PolarHBondContact OD2-N 2.97Å; D1250-T1252 PolarHBondContact OD2-OG1 3.06Å; D1250-G1253 PolarHBondContact O-N 3.39Å; D1250-G1253 VanDerWaalsContact O-N 3.1Å; D1250-G1253 PolarHBondContact OD1-N 3.23Å; D1250-W1254 PolarHBondContact O-N 2.85Å
1251I44.9Very low49.7Very low77 Ų7788.1 Ų88.140%0.39546%0.464SS..Hα-helixtrans-55.2-30.8176.3-64.9173.3000110.8L1243 R1255L1243-I1251 HydrophobicContact CD1-CD1 4.28Å; L1243-I1251 HydrophobicContact CD2-CD1 4.44Å; L1243-I1251 HydrophobicContact CD2-CG1 4.04Å; I1251-R1255 WeakPolarHBondContact O-CB 3.34Å; I1251-R1255 VanDerWaalsContact O-CD 3.31Å; I1251-R1255 WeakPolarHBondContact O-CD 3.3Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 3.04Å
1252T55.6Low51.7Low87 Ų8782.5 Ų82.553%0.53444%0.443SS..Hα-helixtrans-72.4-47.1177.6-27.20000111.4D1250 R1255 V1256D1250-T1252 PolarHBondContact O-N 3.2Å; D1250-T1252 VanDerWaalsContact O-N 3.08Å; D1250-T1252 WeakPolarHBondContact OD2-CB 3.19Å; D1250-T1252 PolarHBondContact OD2-N 2.97Å; D1250-T1252 PolarHBondContact OD2-OG1 3.06Å; T1252-R1255 CarbonylContact O-C 3.41Å; T1252-R1255 WeakPolarHBondContact O-CB 3.39Å; T1252-R1255 PolarHBondContact O-N 3.03Å; T1252-V1256 VanDerWaalsContact O-CG2 3.31Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.26Å
1253G53.3Low53.7Low12 Ų1278.5 Ų78.512%0.12442%0.415CS..Hα-helixtrans-61-44.7175.700000113.3D1250 R1255 V1256 L1257D1250-G1253 PolarHBondContact O-N 3.39Å; D1250-G1253 VanDerWaalsContact O-N 3.1Å; D1250-G1253 PolarHBondContact OD1-N 3.23Å; G1253-R1255 VanDerWaalsContact C-N 3.32Å; G1253-R1255 PolarHBondContact O-N 3.37Å; G1253-V1256 WeakPolarHBondContact O-CB 3.3Å; G1253-V1256 PolarHBondContact O-N 3.42Å; G1253-V1256 VanDerWaalsContact O-N 3.1Å; G1253-L1257 PolarHBondContact O-N 3.18Å
1254W52.1Low55.7Low129 Ų12977.3 Ų77.349%0.48941%0.409SS..Hα-helixtrans-61.3-39.1172.6-80.6113.3000112.7S1247 L1249 D1250 V1256 L1257 H1258S1247-W1254 PolarHBondContact OG-NE1 3.16Å; L1249-W1254 HydrophobicContact CB-CD2 4.42Å; L1249-W1254 HydrophobicContact CB-CG 4.26Å; L1249-W1254 VanDerWaalsContact O-CD1 3.29Å; L1249-W1254 PolarHBondContact O-NE1 3.03Å; D1250-W1254 PolarHBondContact O-N 2.85Å; W1254-V1256 VanDerWaalsContact C-N 3.34Å; W1254-L1257 HydrophobicContact CE3-CD1 4.5Å; W1254-H1258 VanDerWaalsContact O-CB 3.23Å; W1254-H1258 WeakPolarHBondContact O-CB 3.34Å; W1254-H1258 PolarHBondContact O-N 3.06Å
1255R56.2Low57.6Low172 Ų17276.9 Ų76.965%0.64940%0.404SS*.Hα-helixtrans-66.8-34.9173.1-74.5168.6-176.4-176.73.5112.1I1251 T1252 G1253 C1259I1251-R1255 WeakPolarHBondContact O-CB 3.34Å; I1251-R1255 VanDerWaalsContact O-CD 3.31Å; I1251-R1255 WeakPolarHBondContact O-CD 3.3Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 3.04Å; T1252-R1255 CarbonylContact O-C 3.41Å; T1252-R1255 WeakPolarHBondContact O-CB 3.39Å; T1252-R1255 PolarHBondContact O-N 3.03Å; G1253-R1255 VanDerWaalsContact C-N 3.32Å; G1253-R1255 PolarHBondContact O-N 3.37Å; R1255-C1259 VanDerWaalsContact O-CB 3.23Å; R1255-C1259 WeakPolarHBondContact O-CB 3.29Å; R1255-C1259 PolarHBondContact O-N 2.83Å; R1255-C1259 PolarHBondContact O-SG 2.94Å
1256V57.3Low59.7Low50 Ų5072.7 Ų72.730%0.30338%0.382SS..Hα-helixtrans-67.8-45.8177.2164.70000111.1T1252 G1253 W1254 C1259 A1260 T1357 V1361T1252-V1256 VanDerWaalsContact O-CG2 3.31Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.26Å; G1253-V1256 WeakPolarHBondContact O-CB 3.3Å; G1253-V1256 PolarHBondContact O-N 3.42Å; G1253-V1256 VanDerWaalsContact O-N 3.1Å; W1254-V1256 VanDerWaalsContact C-N 3.34Å; V1256-C1259 PolarHBondContact O-N 2.86Å; V1256-A1260 PolarHBondContact O-N 3.46Å; V1256-T1357 HydrophobicContact CG1-CG2 3.89Å; V1256-T1357 WeakPolarHBondContact O-CG2 3.46Å; V1256-V1361 HydrophobicContact CG1-CG2 3.58Å
1257L58.8Low61.9Low47 Ų4767.4 Ų67.425%0.24635%0.352CS..Hα-helixtrans-61.8-52.6172.7-72.1-178.2000111.7L1249 G1253 W1254 C1259 A1260 D1261 V1361L1249-L1257 HydrophobicContact CD1-CD1 3.51Å; L1249-L1257 HydrophobicContact CD2-CD1 4.26Å; G1253-L1257 PolarHBondContact O-N 3.18Å; W1254-L1257 HydrophobicContact CE3-CD1 4.5Å; L1257-C1259 PolarHBondContact O-N 3.14Å; L1257-C1259 VanDerWaalsContact O-N 3.17Å; L1257-A1260 WeakPolarHBondContact O-CA 3.36Å; L1257-A1260 VanDerWaalsContact O-CB 3.29Å; L1257-A1260 WeakPolarHBondContact O-CB 3.34Å; L1257-A1260 PolarHBondContact O-N 3.27Å; L1257-D1261 PolarHBondContact O-N 3.46Å; L1257-V1361 HydrophobicContact CD2-CG1 3.8Å; L1257-V1361 HydrophobicContact CD2-CG2 3.84Å
1258H60.7Low64Low123 Ų12372.7 Ų72.757%0.56937%0.367SS*.Hα-helixtrans-60.3-30.8178.5-171.5-98.4000111.9W1254 N1262W1254-H1258 VanDerWaalsContact O-CB 3.23Å; W1254-H1258 WeakPolarHBondContact O-CB 3.34Å; W1254-H1258 PolarHBondContact O-N 3.06Å; H1258-N1262 PolarHBondContact CE1-ND2 2.84Å; H1258-N1262 PolarHBondContact ND1-ND2 2.82Å; H1258-N1262 PolarHBondContact NE2-ND2 3.1Å; H1258-N1262 WeakPolarHBondContact O-CB 3.47Å; H1258-N1262 PolarHBondContact O-N 2.78Å; H1258-N1262 VanDerWaalsContact O-N 3.12Å; H1258-N1262 PolarHBondContact O-ND2 3.11Å
1259C59.4Low66Low67 Ų6773 Ų7345%0.45337%0.369SS..Hα-helixtrans-68.4-39.5169.3-74.80000112.6R1255 V1256 L1257 L1263R1255-C1259 VanDerWaalsContact O-CB 3.23Å; R1255-C1259 WeakPolarHBondContact O-CB 3.29Å; R1255-C1259 PolarHBondContact O-N 2.83Å; R1255-C1259 PolarHBondContact O-SG 2.94Å; V1256-C1259 PolarHBondContact O-N 2.86Å; L1257-C1259 PolarHBondContact O-N 3.14Å; L1257-C1259 VanDerWaalsContact O-N 3.17Å; C1259-L1263 VanDerWaalsContact O-CB 3.31Å; C1259-L1263 WeakPolarHBondContact O-CB 3.49Å; C1259-L1263 VanDerWaalsContact O-CD1 3.3Å; C1259-L1263 WeakPolarHBondContact O-CD1 3.43Å; C1259-L1263 WeakPolarHBondContact O-CG 3.25Å; C1259-L1263 PolarHBondContact O-N 3.23Å
1260A64.7Low68Low7 Ų772.8 Ų72.86%0.05837%0.367CS..Hα-helixtrans-60.6-48.3175.200000111.5V1256 L1257 N1262 L1263 D1264 T1357V1256-A1260 PolarHBondContact O-N 3.46Å; L1257-A1260 WeakPolarHBondContact O-CA 3.36Å; L1257-A1260 VanDerWaalsContact O-CB 3.29Å; L1257-A1260 WeakPolarHBondContact O-CB 3.34Å; L1257-A1260 PolarHBondContact O-N 3.27Å; A1260-N1262 PolarHBondContact O-N 3.21Å; A1260-L1263 WeakPolarHBondContact O-CB 3.46Å; A1260-L1263 PolarHBondContact O-N 2.95Å; A1260-L1263 VanDerWaalsContact O-N 3.15Å; A1260-D1264 PolarHBondContact O-N 3.4Å; A1260-T1357 HydrophobicContact CB-CG2 3.83Å
1261D69Low69.8Low105 Ų10573.8 Ų73.856%0.56137%0.371SS*.Hα-helixtrans-61.5-44.3179.2-57.1-33.6000111.5L1257 L1263 D1264 L1265L1257-D1261 PolarHBondContact O-N 3.46Å; D1261-L1263 VanDerWaalsContact C-N 3.34Å; D1261-L1263 PolarHBondContact O-N 3.32Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1261-L1265 PolarHBondContact O-N 3.1Å
1262N76.4Confident72Confident78 Ų7875 Ų7542%0.41738%0.375SS..Hα-helixtrans-70.1-27.5176.9-80.1-90.4000112.9H1258 A1260 L1266H1258-N1262 PolarHBondContact CE1-ND2 2.84Å; H1258-N1262 PolarHBondContact ND1-ND2 2.82Å; H1258-N1262 PolarHBondContact NE2-ND2 3.1Å; H1258-N1262 WeakPolarHBondContact O-CB 3.47Å; H1258-N1262 PolarHBondContact O-N 2.78Å; H1258-N1262 VanDerWaalsContact O-N 3.12Å; H1258-N1262 PolarHBondContact O-ND2 3.11Å; A1260-N1262 PolarHBondContact O-N 3.21Å; N1262-L1266 WeakPolarHBondContact O-CB 3.11Å; N1262-L1266 PolarHBondContact O-N 3.03Å
1263L77.2Confident73.7Confident26 Ų2673.2 Ų73.214%0.13637%0.365CS..Hα-helixtrans-70.7-39.6173.6-77.6161.6000111.6C1259 A1260 D1261 L1266 A1267 I1350 I1353C1259-L1263 VanDerWaalsContact O-CB 3.31Å; C1259-L1263 WeakPolarHBondContact O-CB 3.49Å; C1259-L1263 VanDerWaalsContact O-CD1 3.3Å; C1259-L1263 WeakPolarHBondContact O-CD1 3.43Å; C1259-L1263 WeakPolarHBondContact O-CG 3.25Å; C1259-L1263 PolarHBondContact O-N 3.23Å; A1260-L1263 WeakPolarHBondContact O-CB 3.46Å; A1260-L1263 PolarHBondContact O-N 2.95Å; A1260-L1263 VanDerWaalsContact O-N 3.15Å; D1261-L1263 VanDerWaalsContact C-N 3.34Å; D1261-L1263 PolarHBondContact O-N 3.32Å; L1263-L1266 PolarHBondContact O-N 2.87Å; L1263-A1267 WeakPolarHBondContact O-CB 3.4Å; L1263-A1267 PolarHBondContact O-N 3.18Å; L1263-I1350 HydrophobicContact CB-CG2 4.32Å; L1263-I1350 HydrophobicContact CD2-CG2 4.01Å; L1263-I1350 WeakPolarHBondContact O-CG2 3.48Å; L1263-I1353 HydrophobicContact CD1-CB 4.28Å; L1263-I1353 HydrophobicContact CD1-CG2 3.56Å; L1263-I1353 HydrophobicContact CD2-CB 4.25Å; L1263-I1353 HydrophobicContact CD2-CG2 4.06Å; L1263-I1353 HydrophobicContact CG-CG2 4.5Å
1264D77.6Confident75.6Confident70 Ų7073 Ų7337%0.37436%0.361SS..Hα-helixtrans-69.6-39.8176.4-76.16.1000111.5A1260 D1261 A1267 Y1268 S1354 K1358A1260-D1264 PolarHBondContact O-N 3.4Å; D1261-D1264 PolarHBondContact O-N 3.5Å; D1264-A1267 WeakPolarHBondContact O-CB 3.22Å; D1264-A1267 PolarHBondContact O-N 3.4Å; D1264-Y1268 PolarHBondContact O-N 2.92Å; D1264-S1354 PolarHBondContact OD1-OG 2.89Å; D1264-K1358 IonicContact OD1-NZ 2.69Å; D1264-K1358 PolarHBondContact OD1-NZ 2.92Å; D1264-K1358 IonicContact OD2-NZ 2.7Å; D1264-K1358 PolarHBondContact OD2-NZ 3.17Å
1265L80.4Confident77.5Confident75 Ų7572.3 Ų72.339%0.39336%0.363SS..Hα-helixtrans-63.8-39.7171.4-179.260.1000112.3D1261 A1267 Y1268 T1269D1261-L1265 PolarHBondContact O-N 3.1Å; L1265-A1267 VanDerWaalsContact C-N 3.33Å; L1265-Y1268 PolarHBondContact O-N 3.43Å; L1265-T1269 WeakPolarHBondContact O-CG2 3.45Å; L1265-T1269 PolarHBondContact O-N 2.97Å; L1265-T1269 PolarHBondContact O-OG1 3.11Å; L1265-T1269 VanDerWaalsContact O-OG1 3.12Å
1266L82.6Confident79.2Confident79 Ų7967.7 Ų67.741%0.41435%0.354SS..Hα-helixtrans-64.7-38173.8-174.766.9000111.3N1262 L1263 T1269 E1270 I1350N1262-L1266 WeakPolarHBondContact O-CB 3.11Å; N1262-L1266 PolarHBondContact O-N 3.03Å; L1263-L1266 PolarHBondContact O-N 2.87Å; L1266-T1269 PolarHBondContact O-OG1 3.12Å; L1266-T1269 VanDerWaalsContact O-OG1 3.11Å; L1266-E1270 HydrophobicContact CD1-CG 4.45Å; L1266-E1270 VanDerWaalsContact O-CB 3.31Å; L1266-E1270 WeakPolarHBondContact O-CB 3.4Å; L1266-E1270 WeakPolarHBondContact O-CG 3.46Å; L1266-E1270 PolarHBondContact O-N 3.03Å; L1266-I1350 HydrophobicContact CD2-CD1 3.88Å; L1266-I1350 HydrophobicContact CD2-CG1 4.04Å; L1266-I1350 HydrophobicContact CG-CD1 3.81Å; L1266-I1350 HydrophobicContact CG-CG1 4.44Å
1267A86.1Confident80.9Confident17 Ų1766.3 Ų66.314%0.1435%0.345CS..Hα-helixtrans-64.1-41.1173.900000112L1263 D1264 L1265 L1271 L1347 I1350L1263-A1267 WeakPolarHBondContact O-CB 3.4Å; L1263-A1267 PolarHBondContact O-N 3.18Å; D1264-A1267 WeakPolarHBondContact O-CB 3.22Å; D1264-A1267 PolarHBondContact O-N 3.4Å; L1265-A1267 VanDerWaalsContact C-N 3.33Å; A1267-L1271 VanDerWaalsContact O-CB 3.24Å; A1267-L1271 WeakPolarHBondContact O-CB 3.17Å; A1267-L1271 PolarHBondContact O-N 2.95Å; A1267-L1347 HydrophobicContact CB-CD2 4.41Å; A1267-L1347 VanDerWaalsContact O-CD2 3.23Å; A1267-L1347 WeakPolarHBondContact O-CD2 3.28Å; A1267-I1350 HydrophobicContact CB-CG2 3.86Å
1268Y85.8Confident82.5Confident150 Ų15068.6 Ų68.659%0.58835%0.352SS*.Hα-helixtrans-62.5-48.6176.2-179.9-96.6000112.2D1264 L1265 L1271 Q1272D1264-Y1268 PolarHBondContact O-N 2.92Å; L1265-Y1268 PolarHBondContact O-N 3.43Å; Y1268-L1271 WeakPolarHBondContact O-CB 3.43Å; Y1268-L1271 PolarHBondContact O-N 3.21Å; Y1268-Q1272 PolarHBondContact O-N 3.23Å
1269T86.7Confident84.1Confident50 Ų5066.8 Ų66.831%0.30735%0.347SS..Hα-helixtrans-67.5-36.6179.754.10000113.2L1265 L1266 L1271 T1273L1265-T1269 WeakPolarHBondContact O-CG2 3.45Å; L1265-T1269 PolarHBondContact O-N 2.97Å; L1265-T1269 PolarHBondContact O-OG1 3.11Å; L1265-T1269 VanDerWaalsContact O-OG1 3.12Å; L1266-T1269 PolarHBondContact O-OG1 3.12Å; L1266-T1269 VanDerWaalsContact O-OG1 3.11Å; T1269-L1271 VanDerWaalsContact C-N 3.34Å; T1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; T1269-T1273 PolarHBondContact O-N 2.83Å; T1269-T1273 VanDerWaalsContact O-N 3.12Å; T1269-T1273 PolarHBondContact O-OG1 3.12Å
1270E88.8Confident85.7Confident34 Ų3467.5 Ų67.516%0.15935%0.345CS..Hα-helixtrans-69.6-29.1172.3-78.7-66.4129.300112.8L1266 T1273 L1274 K1343 L1346 L1347 I1350L1266-E1270 HydrophobicContact CD1-CG 4.45Å; L1266-E1270 VanDerWaalsContact O-CB 3.31Å; L1266-E1270 WeakPolarHBondContact O-CB 3.4Å; L1266-E1270 WeakPolarHBondContact O-CG 3.46Å; L1266-E1270 PolarHBondContact O-N 3.03Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.47Å; E1270-T1273 PolarHBondContact O-OG1 2.95Å; E1270-L1274 VanDerWaalsContact O-CB 3.32Å; E1270-L1274 WeakPolarHBondContact O-CB 3.4Å; E1270-L1274 PolarHBondContact O-N 2.96Å; E1270-K1343 IonicContact OE1-NZ 2.73Å; E1270-K1343 PolarHBondContact OE1-NZ 3.32Å; E1270-K1343 WeakPolarHBondContact OE2-CG 3.35Å; E1270-K1343 IonicContact OE2-NZ 2.67Å; E1270-K1343 PolarHBondContact OE2-NZ 2.95Å; E1270-L1346 HydrophobicContact CG-CD2 4.18Å; E1270-L1346 WeakPolarHBondContact OE2-CD2 3.47Å; E1270-L1347 HydrophobicContact CB-CD2 3.55Å; E1270-L1347 HydrophobicContact CB-CG 4Å; E1270-I1350 HydrophobicContact CB-CD1 4.33Å; E1270-I1350 HydrophobicContact CG-CD1 4.01Å
1271L91.8Very high87Confident94 Ų9469.7 Ų69.749%0.49235%0.354SS..Hα-helixtrans-72.3-48.4174.7-179.563.6000111.6A1267 Y1268 T1269 T1273 L1274 E1275 L1347A1267-L1271 VanDerWaalsContact O-CB 3.24Å; A1267-L1271 WeakPolarHBondContact O-CB 3.17Å; A1267-L1271 PolarHBondContact O-N 2.95Å; Y1268-L1271 WeakPolarHBondContact O-CB 3.43Å; Y1268-L1271 PolarHBondContact O-N 3.21Å; T1269-L1271 VanDerWaalsContact C-N 3.34Å; L1271-T1273 VanDerWaalsContact C-N 3.31Å; L1271-T1273 PolarHBondContact O-N 3.34Å; L1271-L1274 WeakPolarHBondContact O-CB 3.48Å; L1271-L1274 PolarHBondContact O-N 3.34Å; L1271-L1274 VanDerWaalsContact O-N 3.15Å; L1271-E1275 PolarHBondContact O-N 3.5Å; L1271-L1347 HydrophobicContact CB-CD1 4.45Å; L1271-L1347 HydrophobicContact CB-CD2 4.31Å; L1271-L1347 HydrophobicContact CD1-CD1 4.32Å
1272Q91.1Very high88.2Confident102 Ų10268.1 Ų68.148%0.47735%0.348SS..Hα-helixtrans-57.5-45176.4-173.6-17521.500111.2Y1268 E1275 T1276Y1268-Q1272 PolarHBondContact O-N 3.23Å; Q1272-E1275 WeakPolarHBondContact O-CB 3.45Å; Q1272-E1275 PolarHBondContact O-N 2.88Å; Q1272-T1276 PolarHBondContact O-N 2.97Å; Q1272-T1276 PolarHBondContact O-OG1 3.01Å; Q1272-T1276 VanDerWaalsContact O-OG1 3.06Å
1273T90.9Very high88.9Confident51 Ų5168.5 Ų68.531%0.31335%0.35SS..Hα-helixtrans-72.3-27.4178.450.70000113.2T1269 E1270 L1271 I1277 K1343T1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; T1269-T1273 PolarHBondContact O-N 2.83Å; T1269-T1273 VanDerWaalsContact O-N 3.12Å; T1269-T1273 PolarHBondContact O-OG1 3.12Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.47Å; E1270-T1273 PolarHBondContact O-OG1 2.95Å; L1271-T1273 VanDerWaalsContact C-N 3.31Å; L1271-T1273 PolarHBondContact O-N 3.34Å; T1273-I1277 WeakPolarHBondContact O-CB 3.47Å; T1273-I1277 WeakPolarHBondContact O-CD1 3.5Å; T1273-I1277 WeakPolarHBondContact O-CG1 3.29Å; T1273-I1277 PolarHBondContact O-N 3.12Å; T1273-I1277 VanDerWaalsContact O-N 3.16Å; T1273-K1343 PolarHBondContact OG1-NZ 2.79Å
1274L93.6Very high89.6Confident8 Ų868.9 Ų68.94%0.04235%0.352CS..Hα-helixtrans-66.1-37.6168.1173.762.5000111.6E1270 L1271 I1277 K1278 S1340 K1343 K1344 L1347E1270-L1274 VanDerWaalsContact O-CB 3.32Å; E1270-L1274 WeakPolarHBondContact O-CB 3.4Å; E1270-L1274 PolarHBondContact O-N 2.96Å; L1271-L1274 WeakPolarHBondContact O-CB 3.48Å; L1271-L1274 PolarHBondContact O-N 3.34Å; L1271-L1274 VanDerWaalsContact O-N 3.15Å; L1274-I1277 PolarHBondContact O-N 2.77Å; L1274-K1278 WeakPolarHBondContact O-CG 3.31Å; L1274-K1278 PolarHBondContact O-N 3.46Å; L1274-S1340 WeakPolarHBondContact CD1-O 3.39Å; L1274-K1343 HydrophobicContact CB-CB 4.3Å; L1274-K1343 HydrophobicContact CB-CD 4.33Å; L1274-K1343 HydrophobicContact CD1-CB 4.07Å; L1274-K1344 HydrophobicContact CD1-CG 4.17Å; L1274-K1344 HydrophobicContact CD2-CG 3.67Å; L1274-L1347 HydrophobicContact CB-CD1 4.36Å; L1274-L1347 HydrophobicContact CD2-CD1 3.66Å
1275E92.5Very high90.2Very high113 Ų11367.6 Ų67.653%0.52835%0.351SS..Hα-helixtrans-64.8-47.5174.7-174.2167.8-14500111.6L1271 Q1272 I1277 K1278 N1279L1271-E1275 PolarHBondContact O-N 3.5Å; Q1272-E1275 WeakPolarHBondContact O-CB 3.45Å; Q1272-E1275 PolarHBondContact O-N 2.88Å; E1275-I1277 PolarHBondContact O-N 3.28Å; E1275-K1278 WeakPolarHBondContact O-CB 3.39Å; E1275-K1278 PolarHBondContact O-N 3.12Å; E1275-N1279 PolarHBondContact O-N 2.67Å; E1275-N1279 PolarHBondContact O-OD1 3.34Å
1276T92.6Very high90.7Very high75 Ų7568.8 Ų68.846%0.4636%0.358SS..Hα-helixtrans-53.7-39172.5-42.60000112.3Q1272 N1279 M1280Q1272-T1276 PolarHBondContact O-N 2.97Å; Q1272-T1276 PolarHBondContact O-OG1 3.01Å; Q1272-T1276 VanDerWaalsContact O-OG1 3.06Å; T1276-N1279 PolarHBondContact O-N 3.01Å; T1276-M1280 WeakPolarHBondContact O-CG 3.34Å; T1276-M1280 PolarHBondContact O-N 3.15Å; T1276-M1280 VanDerWaalsContact O-N 3.09Å
1277I92.9Very high90.9Very high21 Ų2169.5 Ų69.511%0.10836%0.359CS..Hα-helixtrans-73.4-30.5179.9-76162.7000112.6T1273 L1274 E1275 M1280 E1281 I1336 I1339 K1343T1273-I1277 WeakPolarHBondContact O-CB 3.47Å; T1273-I1277 WeakPolarHBondContact O-CD1 3.5Å; T1273-I1277 WeakPolarHBondContact O-CG1 3.29Å; T1273-I1277 PolarHBondContact O-N 3.12Å; T1273-I1277 VanDerWaalsContact O-N 3.16Å; L1274-I1277 PolarHBondContact O-N 2.77Å; E1275-I1277 PolarHBondContact O-N 3.28Å; I1277-M1280 HydrophobicContact CB-CE 4.31Å; I1277-M1280 HydrophobicContact CG1-CE 3.6Å; I1277-E1281 PolarHBondContact O-N 3.48Å; I1277-E1281 VanDerWaalsContact O-N 3.16Å; I1277-I1336 HydrophobicContact CG2-CG2 4.02Å; I1277-I1336 VanDerWaalsContact O-CG2 3.29Å; I1277-I1336 WeakPolarHBondContact O-CG2 3.31Å; I1277-I1339 HydrophobicContact CD1-CG2 3.8Å; I1277-K1343 HydrophobicContact CD1-CD 3.69Å
1278K92.5Very high91.1Very high95 Ų9569.9 Ų69.941%0.41336%0.359SS..Hα-helixtrans-67.9-40.2169.3-68.5171.9-174.1171.10111.7L1274 E1275 M1280 E1281 T1282L1274-K1278 WeakPolarHBondContact O-CG 3.31Å; L1274-K1278 PolarHBondContact O-N 3.46Å; E1275-K1278 WeakPolarHBondContact O-CB 3.39Å; E1275-K1278 PolarHBondContact O-N 3.12Å; K1278-M1280 VanDerWaalsContact C-N 3.33Å; K1278-M1280 PolarHBondContact O-N 2.65Å; K1278-E1281 WeakPolarHBondContact O-CA 3.46Å; K1278-E1281 WeakPolarHBondContact O-CB 3.44Å; K1278-E1281 PolarHBondContact O-N 3.05Å; K1278-T1282 PolarHBondContact O-N 2.86Å
1279N93.7Very high91.1Very high85 Ų8568.4 Ų68.446%0.45536%0.357SS..Hα-helixtrans-65.3-40.6-179.9-624.3000110.3E1275 T1276 E1281 T1282 D1283E1275-N1279 PolarHBondContact O-N 2.67Å; E1275-N1279 PolarHBondContact O-OD1 3.34Å; T1276-N1279 PolarHBondContact O-N 3.01Å; N1279-E1281 PolarHBondContact O-N 3.06Å; N1279-T1282 WeakPolarHBondContact CA-OG1 3.47Å; N1279-T1282 PolarHBondContact O-N 2.9Å; N1279-T1282 PolarHBondContact O-OG1 3.24Å; N1279-D1283 WeakPolarHBondContact O-CB 3.31Å; N1279-D1283 PolarHBondContact O-N 3.09Å
1280M92.7Very high91Very high83 Ų8369 Ų6941%0.40936%0.362SS..Hα-helixtrans-64.7-24.6169.4-65.4-175.3-66.100113.6T1276 I1277 K1278 L1284 I1336T1276-M1280 WeakPolarHBondContact O-CG 3.34Å; T1276-M1280 PolarHBondContact O-N 3.15Å; T1276-M1280 VanDerWaalsContact O-N 3.09Å; I1277-M1280 HydrophobicContact CB-CE 4.31Å; I1277-M1280 HydrophobicContact CG1-CE 3.6Å; K1278-M1280 VanDerWaalsContact C-N 3.33Å; K1278-M1280 PolarHBondContact O-N 2.65Å; M1280-L1284 WeakPolarHBondContact O-CG 3.5Å; M1280-L1284 PolarHBondContact O-N 3.4Å; M1280-I1336 HydrophobicContact CB-CD1 3.84Å
1281E92.9Very high90.6Very high52 Ų5269.2 Ų69.224%0.24336%0.364CS..Hα-helixtrans-69.3-42.7172.3-155.3-179.314700110.9I1277 K1278 N1279 A1285 I1336 K1337I1277-E1281 PolarHBondContact O-N 3.48Å; I1277-E1281 VanDerWaalsContact O-N 3.16Å; K1278-E1281 WeakPolarHBondContact O-CA 3.46Å; K1278-E1281 WeakPolarHBondContact O-CB 3.44Å; K1278-E1281 PolarHBondContact O-N 3.05Å; N1279-E1281 PolarHBondContact O-N 3.06Å; E1281-A1285 WeakPolarHBondContact O-CB 3.32Å; E1281-A1285 PolarHBondContact O-N 3.42Å; E1281-A1285 VanDerWaalsContact O-N 3.17Å; E1281-I1336 HydrophobicContact CB-CG2 3.62Å; E1281-I1336 HydrophobicContact CG-CG2 3.84Å; E1281-K1337 HydrophobicContact CG-CG 4.3Å; E1281-K1337 VanDerWaalsContact OE1-CE 3.22Å; E1281-K1337 WeakPolarHBondContact OE1-CE 3.42Å; E1281-K1337 WeakPolarHBondContact OE1-CG 3.44Å
1282T92.7Very high89.8Confident73 Ų7367.6 Ų67.645%0.44836%0.361SS..Hα-helixtrans-70.2-45175.448.80000112K1278 N1279 L1284 A1285 D1286K1278-T1282 PolarHBondContact O-N 2.86Å; N1279-T1282 WeakPolarHBondContact CA-OG1 3.47Å; N1279-T1282 PolarHBondContact O-N 2.9Å; N1279-T1282 PolarHBondContact O-OG1 3.24Å; T1282-L1284 VanDerWaalsContact C-N 3.29Å; T1282-L1284 PolarHBondContact O-N 3.26Å; T1282-A1285 PolarHBondContact O-N 3.16Å; T1282-D1286 PolarHBondContact O-N 3.15Å
1283D91.8Very high89.1Confident85 Ų8565.7 Ų65.746%0.45536%0.356SS..Hα-helixtrans-60.9-36.9-177.6-62.7-14.9000112.1N1279 Q1287N1279-D1283 WeakPolarHBondContact O-CB 3.31Å; N1279-D1283 PolarHBondContact O-N 3.09Å; D1283-Q1287 WeakPolarHBondContact O-CB 3.27Å; D1283-Q1287 VanDerWaalsContact O-CG 3.24Å; D1283-Q1287 WeakPolarHBondContact O-CG 3.44Å; D1283-Q1287 PolarHBondContact O-N 3.36Å; D1283-Q1287 VanDerWaalsContact O-N 3.15Å; D1283-Q1287 PolarHBondContact O-NE2 3.12Å
1284L91.8Very high87.8Confident35 Ų3569 Ų6918%0.18337%0.368CS..Hα-helixtrans-77.4-32.4174.2-66.9-170.8000113M1280 T1282 L1288 F1329 A1332 I1333 I1336M1280-L1284 WeakPolarHBondContact O-CG 3.5Å; M1280-L1284 PolarHBondContact O-N 3.4Å; T1282-L1284 VanDerWaalsContact C-N 3.29Å; T1282-L1284 PolarHBondContact O-N 3.26Å; L1284-L1288 VanDerWaalsContact O-CB 3.32Å; L1284-L1288 WeakPolarHBondContact O-CB 3.18Å; L1284-L1288 PolarHBondContact O-N 3.33Å; L1284-F1329 HydrophobicContact CB-CD1 4.36Å; L1284-F1329 HydrophobicContact CD2-CD1 4.03Å; L1284-F1329 HydrophobicContact CD2-CE1 3.78Å; L1284-A1332 HydrophobicContact CD1-CB 3.71Å; L1284-I1333 HydrophobicContact CB-CD1 4.26Å; L1284-I1333 HydrophobicContact CB-CG1 3.81Å; L1284-I1333 HydrophobicContact CD1-CG1 4.48Å; L1284-I1336 HydrophobicContact CD1-CD1 3.6Å; L1284-I1336 HydrophobicContact CG-CD1 4.39Å
1285A90.4Very high86Confident42 Ų4270.9 Ų70.935%0.34738%0.382SS..Hα-helixtrans-67.7-41.1175.100000111.5E1281 T1282 L1288 H1289 I1333E1281-A1285 WeakPolarHBondContact O-CB 3.32Å; E1281-A1285 PolarHBondContact O-N 3.42Å; E1281-A1285 VanDerWaalsContact O-N 3.17Å; T1282-A1285 PolarHBondContact O-N 3.16Å; A1285-L1288 PolarHBondContact O-N 3.45Å; A1285-H1289 WeakPolarHBondContact O-CB 3.24Å; A1285-H1289 PolarHBondContact O-N 3.35Å; A1285-I1333 HydrophobicContact CB-CD1 4.44Å
1286D90.3Very high84Confident101 Ų10170.1 Ų70.154%0.5438%0.384SS..Hα-helixtrans-67.1-42.3175.6-71.7-13000110.9T1282 L1288 H1289 C1290T1282-D1286 PolarHBondContact O-N 3.15Å; D1286-L1288 PolarHBondContact O-N 2.88Å; D1286-H1289 CarbonylContact O-C 3.4Å; D1286-H1289 WeakPolarHBondContact O-CB 3.49Å; D1286-H1289 PolarHBondContact O-N 2.86Å; D1286-H1289 VanDerWaalsContact O-N 3.16Å; D1286-C1290 PolarHBondContact O-N 3.33Å; D1286-C1290 PolarHBondContact O-SG 2.76Å; D1286-C1290 VanDerWaalsContact O-SG 3.34Å
1287Q88Confident82.1Confident93 Ų9371.3 Ų71.344%0.43539%0.392SS..Hα-helixtrans-59.6-43.8172-77.9169.261.400112.5D1283 H1289 C1290 I1291 F1329D1283-Q1287 WeakPolarHBondContact O-CB 3.27Å; D1283-Q1287 VanDerWaalsContact O-CG 3.24Å; D1283-Q1287 WeakPolarHBondContact O-CG 3.44Å; D1283-Q1287 PolarHBondContact O-N 3.36Å; D1283-Q1287 VanDerWaalsContact O-N 3.15Å; D1283-Q1287 PolarHBondContact O-NE2 3.12Å; Q1287-H1289 VanDerWaalsContact C-N 3.3Å; Q1287-H1289 PolarHBondContact O-N 3.04Å; Q1287-C1290 PolarHBondContact O-N 3.43Å; Q1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; Q1287-I1291 PolarHBondContact O-N 2.86Å; Q1287-F1329 HydrophobicContact CB-CD1 4.48Å; Q1287-F1329 HydrophobicContact CB-CE1 3.76Å; Q1287-F1329 HydrophobicContact CB-CZ 4.19Å
1288L88.5Confident79.9Confident25 Ų2573.9 Ų73.913%0.13141%0.412CS..Hα-helixtrans-63.2-36.5174.9178.361000111.8L1284 A1285 D1286 S1292 A1326 F1329 I1333L1284-L1288 VanDerWaalsContact O-CB 3.32Å; L1284-L1288 WeakPolarHBondContact O-CB 3.18Å; L1284-L1288 PolarHBondContact O-N 3.33Å; A1285-L1288 PolarHBondContact O-N 3.45Å; D1286-L1288 PolarHBondContact O-N 2.88Å; L1288-S1292 WeakPolarHBondContact O-CB 3.44Å; L1288-S1292 PolarHBondContact O-N 3.24Å; L1288-S1292 PolarHBondContact O-OG 3.17Å; L1288-A1326 HydrophobicContact CD1-CB 3.96Å; L1288-F1329 HydrophobicContact CB-CB 4.33Å; L1288-F1329 HydrophobicContact CD1-CB 4.07Å; L1288-I1333 HydrophobicContact CD2-CD1 3.85Å
1289H87.7Confident77.8Confident120 Ų12073.6 Ų73.656%0.55642%0.422SS*.Hα-helixtrans-69.1-39.6174-171.465.3000112.3A1285 D1286 Q1287 S1292 T1293A1285-H1289 WeakPolarHBondContact O-CB 3.24Å; A1285-H1289 PolarHBondContact O-N 3.35Å; D1286-H1289 CarbonylContact O-C 3.4Å; D1286-H1289 WeakPolarHBondContact O-CB 3.49Å; D1286-H1289 PolarHBondContact O-N 2.86Å; D1286-H1289 VanDerWaalsContact O-N 3.16Å; Q1287-H1289 VanDerWaalsContact C-N 3.3Å; Q1287-H1289 PolarHBondContact O-N 3.04Å; H1289-S1292 PolarHBondContact O-N 2.87Å; H1289-T1293 WeakPolarHBondContact O-CB 3.36Å; H1289-T1293 WeakPolarHBondContact O-CG2 3.45Å; H1289-T1293 PolarHBondContact O-N 2.81Å; H1289-T1293 PolarHBondContact O-OG1 2.97Å
1290C84.3Confident75.7Confident61 Ų6177.4 Ų77.441%0.41244%0.437SS..Hα-helixtrans-61.8-42.7173.2-72.60000112.5D1286 Q1287 T1293 Q1294D1286-C1290 PolarHBondContact O-N 3.33Å; D1286-C1290 PolarHBondContact O-SG 2.76Å; D1286-C1290 VanDerWaalsContact O-SG 3.34Å; Q1287-C1290 PolarHBondContact O-N 3.43Å; C1290-T1293 WeakPolarHBondContact CA-OG1 3.49Å; C1290-T1293 PolarHBondContact O-N 3.11Å; C1290-T1293 PolarHBondContact O-OG1 3.03Å; C1290-Q1294 WeakPolarHBondContact O-CB 3.12Å; C1290-Q1294 VanDerWaalsContact O-CG 3.24Å; C1290-Q1294 WeakPolarHBondContact O-CG 3.31Å; C1290-Q1294 PolarHBondContact O-N 3.39Å; C1290-Q1294 PolarHBondContact O-NE2 3.32Å
1291I79.2Confident73.3Confident39 Ų3980.1 Ų80.120%0.245%0.452CS..Hα-helixtrans-63.7-47.2174.2-67.5162.2000109.9Q1287 T1293 Q1294 S1295 F1329Q1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; Q1287-I1291 PolarHBondContact O-N 2.86Å; I1291-T1293 VanDerWaalsContact C-N 3.3Å; I1291-T1293 PolarHBondContact O-N 3.15Å; I1291-Q1294 PolarHBondContact O-N 3.48Å; I1291-S1295 PolarHBondContact O-N 2.96Å; I1291-F1329 HydrophobicContact CD1-CD2 3.78Å; I1291-F1329 HydrophobicContact CD1-CE2 3.36Å; I1291-F1329 HydrophobicContact CD1-CZ 4Å
1292S76.2Confident70.7Confident61 Ų6182.7 Ų82.743%0.42748%0.476SS..Hα-helixtrans-58.8-40.5179.5-58.40000112.3L1288 H1289 S1295L1288-S1292 WeakPolarHBondContact O-CB 3.44Å; L1288-S1292 PolarHBondContact O-N 3.24Å; L1288-S1292 PolarHBondContact O-OG 3.17Å; H1289-S1292 PolarHBondContact O-N 2.87Å; S1292-S1295 PolarHBondContact O-OG 3.37Å
1293T75.7Confident68.4Low61 Ų6185.3 Ų85.337%0.37449%0.491SS..Hα-helixtrans-79.7-32-17947.70000113.7H1289 C1290 I1291 S1295 V1296H1289-T1293 WeakPolarHBondContact O-CB 3.36Å; H1289-T1293 WeakPolarHBondContact O-CG2 3.45Å; H1289-T1293 PolarHBondContact O-N 2.81Å; H1289-T1293 PolarHBondContact O-OG1 2.97Å; C1290-T1293 WeakPolarHBondContact CA-OG1 3.49Å; C1290-T1293 PolarHBondContact O-N 3.11Å; C1290-T1293 PolarHBondContact O-OG1 3.03Å; I1291-T1293 VanDerWaalsContact C-N 3.3Å; I1291-T1293 PolarHBondContact O-N 3.15Å; T1293-S1295 VanDerWaalsContact C-N 3.31Å; T1293-S1295 PolarHBondContact O-N 2.97Å; T1293-V1296 PolarHBondContact O-N 3.13Å
1294Q64.2Low65.9Low122 Ų12286.2 Ų86.257%0.5750%0.504SS*.Hα-helixtrans-67.2-29.9174.8-75.3172.952.900113C1290 I1291 V1296 T1297 S1298C1290-Q1294 WeakPolarHBondContact O-CB 3.12Å; C1290-Q1294 VanDerWaalsContact O-CG 3.24Å; C1290-Q1294 WeakPolarHBondContact O-CG 3.31Å; C1290-Q1294 PolarHBondContact O-N 3.39Å; C1290-Q1294 PolarHBondContact O-NE2 3.32Å; I1291-Q1294 PolarHBondContact O-N 3.48Å; Q1294-V1296 PolarHBondContact O-N 3.46Å; Q1294-T1297 PolarHBondContact O-N 2.96Å; Q1294-T1297 PolarHBondContact O-OG1 3.1Å; Q1294-S1298 PolarHBondContact O-N 3.37Å; Q1294-S1298 PolarHBondContact O-OG 3.13Å
1295S55.4Low63.6Low46 Ų4693.9 Ų93.932%0.32254%0.539SS..Hα-helixtrans-61.8-22.2173.474.20000113.8I1291 S1292 T1293 S1298I1291-S1295 PolarHBondContact O-N 2.96Å; S1292-S1295 PolarHBondContact O-OG 3.37Å; T1293-S1295 VanDerWaalsContact C-N 3.31Å; T1293-S1295 PolarHBondContact O-N 2.97Å; S1295-S1298 PolarHBondContact O-OG 3.07Å
1296V51.5Low61.2Low97 Ų9795.8 Ų95.859%0.58856%0.563SS**Hα-helixtrans-83.6-39.4-179.9-174.40000111.4T1293 Q1294 S1299T1293-V1296 PolarHBondContact O-N 3.13Å; Q1294-V1296 PolarHBondContact O-N 3.46Å; V1296-S1299 PolarHBondContact O-OG 3.29Å
1297T51.9Low59Low101 Ų10196.8 Ų96.862%0.6257%0.572SS**Hα-helixtrans-79-28.2-174.255.30000113.7Q1294 S1299Q1294-T1297 PolarHBondContact O-N 2.96Å; Q1294-T1297 PolarHBondContact O-OG1 3.1Å; T1297-S1299 VanDerWaalsContact C-N 3.25Å; T1297-S1299 PolarHBondContact O-N 2.81Å
1298S47.4Very low56.7Low75 Ų7596.9 Ų96.952%0.52458%0.583SS.*G310 helixtrans-64.7-28.3175.859.20000113.1Q1294 S1295 H1300Q1294-S1298 PolarHBondContact O-N 3.37Å; Q1294-S1298 PolarHBondContact O-OG 3.13Å; S1295-S1298 PolarHBondContact O-OG 3.07Å; S1298-H1300 VanDerWaalsContact C-N 3.32Å; S1298-H1300 PolarHBondContact O-N 3.12Å
1299S48.4Very low54.8Low89 Ų89103.3 Ų103.362%0.62261%0.612SS**G310 helixtrans-78.2-7.1-176.270.40000115.5V1296 T1297V1296-S1299 PolarHBondContact O-OG 3.29Å; T1297-S1299 VanDerWaalsContact C-N 3.25Å; T1297-S1299 PolarHBondContact O-N 2.81Å
1300H48Very low53Low165 Ų165103.1 Ų103.176%0.76462%0.62SS**G310 helixtrans-104.72.1-178.6-150.5-71.3000114.4S1298 S1302S1298-H1300 VanDerWaalsContact C-N 3.32Å; S1298-H1300 PolarHBondContact O-N 3.12Å; H1300-S1302 PolarHBondContact O-N 3.19Å
1301L42.8Very low51.5Low139 Ų139104.4 Ų104.473%0.72863%0.625SS**  trans-83.254.4175.2-94.2162.9000112.4V1303L1301-V1303 HydrophobicContact CD2-CG2 4.23Å; L1301-V1303 PolarHBondContact O-N 3.16Å
1302S39.2Very low50.1Low107 Ų107110.2 Ų110.275%0.74865%0.649SS**  trans-73.355.6179-61.90000113.1H1300 S1304H1300-S1302 PolarHBondContact O-N 3.19Å; S1302-S1304 PolarHBondContact O-N 3.16Å
1303V43.8Very low48.8Very low127 Ų127111.8 Ų111.877%0.7766%0.661SS**  trans-78.9105.9176.2-1780000109.5L1301 Q1305L1301-V1303 HydrophobicContact CD2-CG2 4.23Å; L1301-V1303 PolarHBondContact O-N 3.16Å; V1303-Q1305 PolarHBondContact O-N 3.26Å
1304S39.3Very low47.7Very low104 Ų104113.1 Ų113.173%0.72767%0.668SS**  trans-70118.3-175.246.60000113.9S1302S1302-S1304 PolarHBondContact O-N 3.16Å
1305Q44.2Very low47.1Very low197 Ų197112.2 Ų112.292%0.92166%0.664SS**  trans-166.5152.8132.8-106.1162.68.400111.3V1303V1303-Q1305 PolarHBondContact O-N 3.26Å
1306G40Very low47Very low81 Ų81113.4 Ų113.484%0.83567%0.672SS**  trans-84.1130.2-159.200000115.8
1307V44.3Very low47.1Very low123 Ų123110 Ų11075%0.74566%0.658SS**  trans-132.7126.8155.6179.50000107.6
1308S39.6Very low47.4Very low94 Ų94110.2 Ų110.266%0.65765%0.654SS**  trans-67.9132.9-170.2-71.40000114.3T1310S1308-T1310 PolarHBondContact O-N 3.42Å; S1308-T1310 PolarHBondContact O-OG1 3.02Å
1309E47.4Very low48Very low161 Ų161112.2 Ų112.275%0.75265%0.653SS**SBendtrans58.6-29.4147.4-57.8-169119.100120.5V1311E1309-V1311 VanDerWaalsContact C-N 3.32Å; E1309-V1311 PolarHBondContact O-N 3.03Å
1310T50.2Low48.6Very low116 Ų116110.8 Ų110.871%0.71264%0.643SS**THydrogen-bonded Turntrans-69.6-27.3-176.7-44.20000113.1S1308 K1312 S1313S1308-T1310 PolarHBondContact O-N 3.42Å; S1308-T1310 PolarHBondContact O-OG1 3.02Å; T1310-K1312 VanDerWaalsContact C-N 3.3Å; T1310-K1312 PolarHBondContact O-N 2.95Å; T1310-S1313 PolarHBondContact O-N 3.43Å
1311V52.7Low49.9Very low87 Ų87107.4 Ų107.453%0.52763%0.631SS.*THydrogen-bonded Turntrans-65.3-30.4-174.4-176.70000112.8E1309 S1313 V1314 E1315E1309-V1311 VanDerWaalsContact C-N 3.32Å; E1309-V1311 PolarHBondContact O-N 3.03Å; V1311-S1313 PolarHBondContact O-N 3.35Å; V1311-S1313 VanDerWaalsContact O-N 3.11Å; V1311-V1314 WeakPolarHBondContact O-CB 3.23Å; V1311-V1314 PolarHBondContact O-N 2.56Å; V1311-E1315 PolarHBondContact O-N 2.85Å
1312K49.6Very low51.6Low161 Ų161104 Ų10470%0.761%0.611SS**Hα-helixtrans-60-26.7-176.4-70179.4178.4172.70113.7T1310 S1316T1310-K1312 VanDerWaalsContact C-N 3.3Å; T1310-K1312 PolarHBondContact O-N 2.95Å; K1312-S1316 PolarHBondContact O-OG 3.1Å
1313S48.7Very low53.5Low95 Ų95102.4 Ų102.466%0.66460%0.6SS**Hα-helixtrans-81.1-16.8176.9-169.60000113.9T1310 V1311 S1316T1310-S1313 PolarHBondContact O-N 3.43Å; V1311-S1313 PolarHBondContact O-N 3.35Å; V1311-S1313 VanDerWaalsContact O-N 3.11Å; S1313-S1316 PolarHBondContact O-OG 3.19Å; S1313-S1316 VanDerWaalsContact O-OG 3.05Å
1314V53.5Low55.4Low89 Ų89102 Ų10254%0.53959%0.59SS.*Hα-helixtrans-84.4-43.7177-176.80000109.7V1311 S1316 G1317 L1318V1311-V1314 WeakPolarHBondContact O-CB 3.23Å; V1311-V1314 PolarHBondContact O-N 2.56Å; V1314-S1316 VanDerWaalsContact C-N 3.25Å; V1314-S1316 PolarHBondContact O-N 3.44Å; V1314-G1317 PolarHBondContact O-N 2.99Å; V1314-L1318 HydrophobicContact CG1-CD1 4.46Å; V1314-L1318 PolarHBondContact O-N 3.08Å; V1314-L1318 VanDerWaalsContact O-N 3.13Å
1315E51.4Low57.4Low102 Ų102101.2 Ų101.248%0.47758%0.576SS.*Hα-helixtrans-62.8-30.4179.3-156.2-167.2141.900112.8V1311 K1319V1311-E1315 PolarHBondContact O-N 2.85Å; E1315-K1319 WeakPolarHBondContact O-CG 3.3Å; E1315-K1319 PolarHBondContact O-N 2.89Å; E1315-K1319 IonicContact OE1-NZ 2.6Å; E1315-K1319 PolarHBondContact OE1-NZ 2.79Å
1316S52.7Low59.3Low71 Ų7193 Ų9350%0.49754%0.542SS..Hα-helixtrans-71.6-29.6172.452.90000113.9K1312 S1313 V1314 S1320K1312-S1316 PolarHBondContact O-OG 3.1Å; S1313-S1316 PolarHBondContact O-OG 3.19Å; S1313-S1316 VanDerWaalsContact O-OG 3.05Å; V1314-S1316 VanDerWaalsContact C-N 3.25Å; V1314-S1316 PolarHBondContact O-N 3.44Å; S1316-S1320 PolarHBondContact O-N 2.79Å
1317G55Low61.6Low27 Ų2792.2 Ų92.228%0.27852%0.523SS..Hα-helixtrans-76.2-43.2177.700000112.4V1314 K1319 S1320 D1321V1314-G1317 PolarHBondContact O-N 2.99Å; G1317-K1319 PolarHBondContact O-N 3.47Å; G1317-S1320 PolarHBondContact O-N 2.89Å; G1317-S1320 VanDerWaalsContact O-N 3.08Å; G1317-S1320 PolarHBondContact O-OG 3.3Å; G1317-D1321 PolarHBondContact O-N 2.94Å; G1317-D1321 VanDerWaalsContact O-N 3.08Å
1318L56.7Low63.7Low105 Ų10590.7 Ų90.755%0.5551%0.508SS..Hα-helixtrans-58.3-38.5176.1-64.8173.2000111.7V1314 D1321 E1322V1314-L1318 HydrophobicContact CG1-CD1 4.46Å; V1314-L1318 PolarHBondContact O-N 3.08Å; V1314-L1318 VanDerWaalsContact O-N 3.13Å; L1318-D1321 PolarHBondContact O-N 2.95Å; L1318-E1322 WeakPolarHBondContact O-CG 3.11Å; L1318-E1322 PolarHBondContact O-N 3.35Å
1319K60.4Low66.1Low117 Ų11788.1 Ų88.151%0.50949%0.485SS..Hα-helixtrans-73-25.6177.8-68.4173.6-171.3174.60113.8E1315 G1317 S1323E1315-K1319 WeakPolarHBondContact O-CG 3.3Å; E1315-K1319 PolarHBondContact O-N 2.89Å; E1315-K1319 IonicContact OE1-NZ 2.6Å; E1315-K1319 PolarHBondContact OE1-NZ 2.79Å; G1317-K1319 PolarHBondContact O-N 3.47Å; K1319-S1323 WeakPolarHBondContact O-CB 3.13Å; K1319-S1323 PolarHBondContact O-N 2.94Å; K1319-S1323 PolarHBondContact O-OG 2.98Å
1320S61.9Low68.1Low58 Ų5884.5 Ų84.541%0.40647%0.471SS..Hα-helixtrans-70.4-44.4168.5520000111.1S1316 G1317 S1323 E1324S1316-S1320 PolarHBondContact O-N 2.79Å; G1317-S1320 PolarHBondContact O-N 2.89Å; G1317-S1320 VanDerWaalsContact O-N 3.08Å; G1317-S1320 PolarHBondContact O-OG 3.3Å; S1320-S1323 PolarHBondContact O-N 2.9Å; S1320-S1323 VanDerWaalsContact O-N 3.12Å; S1320-S1323 PolarHBondContact O-OG 2.85Å; S1320-E1324 PolarHBondContact O-N 2.98Å
1321D74.8Confident70.1Confident95 Ų9583.8 Ų83.851%0.50846%0.462SS..Hα-helixtrans-68.7-41.2-173.3-63.17.6000111.7G1317 L1318 S1323 E1324 M1325G1317-D1321 PolarHBondContact O-N 2.94Å; G1317-D1321 VanDerWaalsContact O-N 3.08Å; L1318-D1321 PolarHBondContact O-N 2.95Å; D1321-S1323 VanDerWaalsContact C-N 3.32Å; D1321-S1323 PolarHBondContact O-N 3.42Å; D1321-E1324 PolarHBondContact O-N 3.02Å; D1321-M1325 WeakPolarHBondContact O-CG 3.48Å; D1321-M1325 PolarHBondContact O-N 3Å
1322E77.2Confident72Confident66 Ų6681.1 Ų81.131%0.30845%0.449SS..Hα-helixtrans-58.5-42.1169.8-74.4-179.2168.300111.9L1318 A1326L1318-E1322 WeakPolarHBondContact O-CG 3.11Å; L1318-E1322 PolarHBondContact O-N 3.35Å; E1322-A1326 VanDerWaalsContact O-CB 3.32Å; E1322-A1326 WeakPolarHBondContact O-CB 3.31Å; E1322-A1326 PolarHBondContact O-N 3.18Å
1323S79.7Confident74Confident75 Ų7574 Ų7452%0.52442%0.419SS..Hα-helixtrans-69.9-35.218080.60000113K1319 S1320 D1321 S1327K1319-S1323 WeakPolarHBondContact O-CB 3.13Å; K1319-S1323 PolarHBondContact O-N 2.94Å; K1319-S1323 PolarHBondContact O-OG 2.98Å; S1320-S1323 PolarHBondContact O-N 2.9Å; S1320-S1323 VanDerWaalsContact O-N 3.12Å; S1320-S1323 PolarHBondContact O-OG 2.85Å; D1321-S1323 VanDerWaalsContact C-N 3.32Å; D1321-S1323 PolarHBondContact O-N 3.42Å; S1323-S1327 WeakPolarHBondContact O-CB 3.23Å; S1323-S1327 PolarHBondContact O-N 3.25Å
1324E83.3Confident76.1Confident119 Ų11975 Ų7556%0.55641%0.412SS*.Hα-helixtrans-70.4-46174.8-164.9-174.9141.100110.5S1320 D1321 A1326 S1327 Q1328S1320-E1324 PolarHBondContact O-N 2.98Å; D1321-E1324 PolarHBondContact O-N 3.02Å; E1324-A1326 PolarHBondContact O-N 2.65Å; E1324-S1327 WeakPolarHBondContact O-CA 3.46Å; E1324-S1327 VanDerWaalsContact O-CB 3.31Å; E1324-S1327 WeakPolarHBondContact O-CB 3.15Å; E1324-S1327 PolarHBondContact O-N 2.97Å; E1324-S1327 VanDerWaalsContact O-N 3.07Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 2.62Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.34Å
1325M81.3Confident78.1Confident87 Ų8774.7 Ų74.743%0.42941%0.407SS..Hα-helixtrans-56.8-49.1174.3-74.3-166.6-67.800111.1D1321 S1327 Q1328 F1329D1321-M1325 WeakPolarHBondContact O-CG 3.48Å; D1321-M1325 PolarHBondContact O-N 3Å; M1325-S1327 VanDerWaalsContact C-N 3.25Å; M1325-S1327 PolarHBondContact O-N 3.33Å; M1325-Q1328 PolarHBondContact O-N 2.91Å; M1325-Q1328 VanDerWaalsContact O-N 3.08Å; M1325-F1329 VanDerWaalsContact O-CD2 3.28Å; M1325-F1329 WeakPolarHBondContact O-CD2 3.4Å; M1325-F1329 PolarHBondContact O-N 3.04Å
1326A85.6Confident80.1Confident24 Ų2470.9 Ų70.920%0.19839%0.39CS..Hα-helixtrans-57.7-37.5175.800000112.4L1288 E1322 E1324 N1330L1288-A1326 HydrophobicContact CD1-CB 3.96Å; E1322-A1326 VanDerWaalsContact O-CB 3.32Å; E1322-A1326 WeakPolarHBondContact O-CB 3.31Å; E1322-A1326 PolarHBondContact O-N 3.18Å; E1324-A1326 PolarHBondContact O-N 2.65Å; A1326-N1330 PolarHBondContact O-N 2.82Å; A1326-N1330 PolarHBondContact O-ND2 3.22Å
1327S87.8Confident82Confident65 Ų6571.3 Ų71.346%0.45538%0.383SS..Hα-helixtrans-64.2-46173.3-161.40000112.2S1323 E1324 M1325 N1330 I1331S1323-S1327 WeakPolarHBondContact O-CB 3.23Å; S1323-S1327 PolarHBondContact O-N 3.25Å; E1324-S1327 WeakPolarHBondContact O-CA 3.46Å; E1324-S1327 VanDerWaalsContact O-CB 3.31Å; E1324-S1327 WeakPolarHBondContact O-CB 3.15Å; E1324-S1327 PolarHBondContact O-N 2.97Å; E1324-S1327 VanDerWaalsContact O-N 3.07Å; M1325-S1327 VanDerWaalsContact C-N 3.25Å; M1325-S1327 PolarHBondContact O-N 3.33Å; S1327-N1330 PolarHBondContact O-N 3.42Å; S1327-I1331 VanDerWaalsContact O-CG1 3.32Å; S1327-I1331 WeakPolarHBondContact O-CG1 3.47Å; S1327-I1331 PolarHBondContact O-N 3.38Å
1328Q88.8Confident83.9Confident91 Ų9170.2 Ų70.243%0.42537%0.372SS..Hα-helixtrans-62.8-42.4177.3-66.1-17526.700112.1E1324 M1325 I1331 A1332E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 2.62Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.34Å; M1325-Q1328 PolarHBondContact O-N 2.91Å; M1325-Q1328 VanDerWaalsContact O-N 3.08Å; Q1328-I1331 PolarHBondContact O-N 3.08Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.23Å; Q1328-A1332 PolarHBondContact O-N 3.26Å
1329F88.8Confident85.5Confident40 Ų4069 Ų6918%0.17537%0.365CS..Hα-helixtrans-61.2-44.8173.5-86.4-79.5000112.1L1284 Q1287 L1288 I1291 M1325 I1331 A1332 I1333L1284-F1329 HydrophobicContact CB-CD1 4.36Å; L1284-F1329 HydrophobicContact CD2-CD1 4.03Å; L1284-F1329 HydrophobicContact CD2-CE1 3.78Å; Q1287-F1329 HydrophobicContact CB-CD1 4.48Å; Q1287-F1329 HydrophobicContact CB-CE1 3.76Å; Q1287-F1329 HydrophobicContact CB-CZ 4.19Å; L1288-F1329 HydrophobicContact CB-CB 4.33Å; L1288-F1329 HydrophobicContact CD1-CB 4.07Å; I1291-F1329 HydrophobicContact CD1-CD2 3.78Å; I1291-F1329 HydrophobicContact CD1-CE2 3.36Å; I1291-F1329 HydrophobicContact CD1-CZ 4Å; M1325-F1329 VanDerWaalsContact O-CD2 3.28Å; M1325-F1329 WeakPolarHBondContact O-CD2 3.4Å; M1325-F1329 PolarHBondContact O-N 3.04Å; F1329-I1331 VanDerWaalsContact C-N 3.35Å; F1329-I1331 PolarHBondContact O-N 3.41Å; F1329-A1332 PolarHBondContact O-N 3.26Å; F1329-I1333 VanDerWaalsContact O-CG1 3.31Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.45Å; F1329-I1333 PolarHBondContact O-N 3.04Å
1330N90.6Very high87.1Confident85 Ų8563.5 Ų63.546%0.45534%0.341SS..Hα-helixtrans-61.4-41.3175.6-84.4-80.3000112.2A1326 S1327 A1332 I1333 E1334A1326-N1330 PolarHBondContact O-N 2.82Å; A1326-N1330 PolarHBondContact O-ND2 3.22Å; S1327-N1330 PolarHBondContact O-N 3.42Å; N1330-A1332 VanDerWaalsContact C-N 3.35Å; N1330-I1333 PolarHBondContact O-N 3.48Å; N1330-E1334 PolarHBondContact O-N 3.49Å
1331I92.3Very high88.6Confident101 Ų10163.9 Ų63.952%0.51834%0.337SS..Hα-helixtrans-63.2-41.4175-68.5164000110.9S1327 Q1328 F1329 E1334 L1335S1327-I1331 VanDerWaalsContact O-CG1 3.32Å; S1327-I1331 WeakPolarHBondContact O-CG1 3.47Å; S1327-I1331 PolarHBondContact O-N 3.38Å; Q1328-I1331 PolarHBondContact O-N 3.08Å; F1329-I1331 VanDerWaalsContact C-N 3.35Å; F1329-I1331 PolarHBondContact O-N 3.41Å; I1331-E1334 PolarHBondContact O-N 2.94Å; I1331-L1335 HydrophobicContact CG2-CD1 4.08Å; I1331-L1335 WeakPolarHBondContact O-CB 3.46Å; I1331-L1335 VanDerWaalsContact O-CG 3.29Å; I1331-L1335 WeakPolarHBondContact O-CG 3.32Å; I1331-L1335 PolarHBondContact O-N 3.17Å
1332A92.1Very high89.3Confident31 Ų3165.8 Ų65.826%0.25634%0.337SS..Hα-helixtrans-64.5-43176.900000112.3L1284 Q1328 F1329 N1330 L1335 I1336L1284-A1332 HydrophobicContact CD1-CB 3.71Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.23Å; Q1328-A1332 PolarHBondContact O-N 3.26Å; F1329-A1332 PolarHBondContact O-N 3.26Å; N1330-A1332 VanDerWaalsContact C-N 3.35Å; A1332-L1335 WeakPolarHBondContact O-CB 3.39Å; A1332-L1335 PolarHBondContact O-N 3.31Å; A1332-I1336 WeakPolarHBondContact O-CG1 3.27Å; A1332-I1336 PolarHBondContact O-N 3.3Å
1333I92.4Very high90Very high12 Ų1264.2 Ų64.26%0.06233%0.329CS..Hα-helixtrans-62.1-44.5176.3-70164.6000111.1L1284 A1285 L1288 F1329 N1330 L1335 I1336 K1337L1284-I1333 HydrophobicContact CB-CD1 4.26Å; L1284-I1333 HydrophobicContact CB-CG1 3.81Å; L1284-I1333 HydrophobicContact CD1-CG1 4.48Å; A1285-I1333 HydrophobicContact CB-CD1 4.44Å; L1288-I1333 HydrophobicContact CD2-CD1 3.85Å; F1329-I1333 VanDerWaalsContact O-CG1 3.31Å; F1329-I1333 WeakPolarHBondContact O-CG1 3.45Å; F1329-I1333 PolarHBondContact O-N 3.04Å; N1330-I1333 PolarHBondContact O-N 3.48Å; I1333-L1335 PolarHBondContact O-N 3.3Å; I1333-I1336 PolarHBondContact O-N 3.36Å; I1333-K1337 HydrophobicContact CG2-CD 4.18Å; I1333-K1337 VanDerWaalsContact CG2-CE 3.48Å; I1333-K1337 WeakPolarHBondContact O-CG 3.32Å; I1333-K1337 PolarHBondContact O-N 2.92Å
1334E92.9Very high90.6Very high114 Ų11465 Ų6553%0.53332%0.323SS..Hα-helixtrans-67.1-33.3176.1-71.5-58.6122.100113N1330 I1331 K1337 G1338N1330-E1334 PolarHBondContact O-N 3.49Å; I1331-E1334 PolarHBondContact O-N 2.94Å; E1334-K1337 WeakPolarHBondContact OE1-CD 3.25Å; E1334-K1337 IonicContact OE1-NZ 2.95Å; E1334-K1337 PolarHBondContact OE1-NZ 2.97Å; E1334-G1338 PolarHBondContact O-N 3.29Å
1335L94Very high91Very high83 Ų8366 Ų6644%0.43532%0.323SS..Hα-helixtrans-64.5-44.5170.7-74.4168.9000111.6L1153 I1331 A1332 I1333 G1338 I1339L1153-L1335 HydrophobicContact CD1-CD2 3.75Å; I1331-L1335 HydrophobicContact CG2-CD1 4.08Å; I1331-L1335 WeakPolarHBondContact O-CB 3.46Å; I1331-L1335 VanDerWaalsContact O-CG 3.29Å; I1331-L1335 WeakPolarHBondContact O-CG 3.32Å; I1331-L1335 PolarHBondContact O-N 3.17Å; A1332-L1335 WeakPolarHBondContact O-CB 3.39Å; A1332-L1335 PolarHBondContact O-N 3.31Å; I1333-L1335 PolarHBondContact O-N 3.3Å; L1335-G1338 PolarHBondContact O-N 2.95Å; L1335-I1339 VanDerWaalsContact O-CG1 3.3Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.44Å; L1335-I1339 PolarHBondContact O-N 3.2Å
1336I93.4Very high91.4Very high23 Ų2365.4 Ų65.412%0.11832%0.321CS..Hα-helixtrans-61.4-47.5176.4-74.6-179.2000111I1277 M1280 E1281 L1284 A1332 I1333 G1338 I1339 S1340I1277-I1336 HydrophobicContact CG2-CG2 4.02Å; I1277-I1336 VanDerWaalsContact O-CG2 3.29Å; I1277-I1336 WeakPolarHBondContact O-CG2 3.31Å; M1280-I1336 HydrophobicContact CB-CD1 3.84Å; E1281-I1336 HydrophobicContact CB-CG2 3.62Å; E1281-I1336 HydrophobicContact CG-CG2 3.84Å; L1284-I1336 HydrophobicContact CD1-CD1 3.6Å; L1284-I1336 HydrophobicContact CG-CD1 4.39Å; A1332-I1336 WeakPolarHBondContact O-CG1 3.27Å; A1332-I1336 PolarHBondContact O-N 3.3Å; I1333-I1336 PolarHBondContact O-N 3.36Å; I1336-G1338 VanDerWaalsContact C-N 3.31Å; I1336-G1338 PolarHBondContact O-N 2.74Å; I1336-I1339 PolarHBondContact O-N 3.27Å; I1336-I1339 VanDerWaalsContact O-N 3.1Å; I1336-S1340 VanDerWaalsContact O-CB 3.3Å; I1336-S1340 WeakPolarHBondContact O-CB 3.13Å; I1336-S1340 PolarHBondContact O-N 3.1Å
1337K93.4Very high91.7Very high79 Ų7964.8 Ų64.834%0.34331%0.314SS..Hα-helixtrans-55.8-44.2172.9-74.5166.8-174.7171.90112.2E1281 I1333 E1334 I1339 S1340 Q1341E1281-K1337 HydrophobicContact CG-CG 4.3Å; E1281-K1337 VanDerWaalsContact OE1-CE 3.22Å; E1281-K1337 WeakPolarHBondContact OE1-CE 3.42Å; E1281-K1337 WeakPolarHBondContact OE1-CG 3.44Å; I1333-K1337 HydrophobicContact CG2-CD 4.18Å; I1333-K1337 VanDerWaalsContact CG2-CE 3.48Å; I1333-K1337 WeakPolarHBondContact O-CG 3.32Å; I1333-K1337 PolarHBondContact O-N 2.92Å; E1334-K1337 WeakPolarHBondContact OE1-CD 3.25Å; E1334-K1337 IonicContact OE1-NZ 2.95Å; E1334-K1337 PolarHBondContact OE1-NZ 2.97Å; K1337-I1339 VanDerWaalsContact C-N 3.32Å; K1337-I1339 PolarHBondContact O-N 3.42Å; K1337-S1340 WeakPolarHBondContact O-CB 3.47Å; K1337-S1340 PolarHBondContact O-N 2.87Å; K1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; K1337-Q1341 PolarHBondContact O-N 3.39Å
1338G93.7Very high91.8Very high5 Ų565 Ų655%0.05231%0.31CS..Hα-helixtrans-62.7-34.1176.700000113.6E1334 L1335 I1336 R1342E1334-G1338 PolarHBondContact O-N 3.29Å; L1335-G1338 PolarHBondContact O-N 2.95Å; I1336-G1338 VanDerWaalsContact C-N 3.31Å; I1336-G1338 PolarHBondContact O-N 2.74Å; G1338-R1342 WeakPolarHBondContact O-CD 3.29Å; G1338-R1342 VanDerWaalsContact O-CG 3.25Å; G1338-R1342 WeakPolarHBondContact O-CG 3.48Å; G1338-R1342 PolarHBondContact O-N 3.36Å
1339I92Very high91.8Very high79 Ų7962.5 Ų62.541%0.40530%0.303SS..Hα-helixtrans-75.6-45.3174-62.2162.1000110.5I1277 L1335 I1336 K1337 Q1341 R1342 K1343I1277-I1339 HydrophobicContact CD1-CG2 3.8Å; L1335-I1339 VanDerWaalsContact O-CG1 3.3Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.44Å; L1335-I1339 PolarHBondContact O-N 3.2Å; I1336-I1339 PolarHBondContact O-N 3.27Å; I1336-I1339 VanDerWaalsContact O-N 3.1Å; K1337-I1339 VanDerWaalsContact C-N 3.32Å; K1337-I1339 PolarHBondContact O-N 3.42Å; I1339-Q1341 VanDerWaalsContact C-N 3.32Å; I1339-Q1341 PolarHBondContact O-N 3.36Å; I1339-R1342 PolarHBondContact O-N 3.39Å; I1339-K1343 PolarHBondContact O-N 3.45Å
1340S93.2Very high91.7Very high1 Ų160.8 Ų60.81%0.00730%0.295CS..Hα-helixtrans-53.1-46.2174.6179.30000111.5L1274 I1336 K1337 K1343 K1344L1274-S1340 WeakPolarHBondContact CD1-O 3.39Å; I1336-S1340 VanDerWaalsContact O-CB 3.3Å; I1336-S1340 WeakPolarHBondContact O-CB 3.13Å; I1336-S1340 PolarHBondContact O-N 3.1Å; K1337-S1340 WeakPolarHBondContact O-CB 3.47Å; K1337-S1340 PolarHBondContact O-N 2.87Å; S1340-K1343 PolarHBondContact O-N 3Å; S1340-K1344 VanDerWaalsContact O-CG 3.29Å; S1340-K1344 WeakPolarHBondContact O-CG 3.42Å; S1340-K1344 PolarHBondContact O-N 3.36Å; S1340-K1344 PolarHBondContact OG-NZ 2.82Å
1341Q92.5Very high91.6Very high66 Ų6662.3 Ų62.331%0.30830%0.3SS..Hα-helixtrans-64.4-40175.5-168.1-176.717.600112.6K1337 I1339 K1344 Y1345K1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; K1337-Q1341 PolarHBondContact O-N 3.39Å; I1339-Q1341 VanDerWaalsContact C-N 3.32Å; I1339-Q1341 PolarHBondContact O-N 3.36Å; Q1341-K1344 PolarHBondContact O-N 2.92Å; Q1341-Y1345 HydrophobicContact CG-CD2 4.11Å; Q1341-Y1345 HydrophobicContact CG-CE2 3.7Å; Q1341-Y1345 WeakPolarHBondContact O-CD2 3.43Å; Q1341-Y1345 PolarHBondContact O-N 3.48Å; Q1341-Y1345 VanDerWaalsContact O-N 3.1Å
1342R89.8Confident91.3Very high136 Ų13664.8 Ų64.851%0.51330%0.303SS..Hα-helixtrans-66.6-40.4177.2-73.3168.8-176.4176.62.7112.2L1153 G1338 I1339 Y1345 L1346L1153-R1342 VanDerWaalsContact CD2-NH2 3.3Å; G1338-R1342 WeakPolarHBondContact O-CD 3.29Å; G1338-R1342 VanDerWaalsContact O-CG 3.25Å; G1338-R1342 WeakPolarHBondContact O-CG 3.48Å; G1338-R1342 PolarHBondContact O-N 3.36Å; I1339-R1342 PolarHBondContact O-N 3.39Å; R1342-Y1345 PolarHBondContact O-N 3.22Å; R1342-L1346 WeakPolarHBondContact O-CB 3.43Å; R1342-L1346 PolarHBondContact O-N 3.39Å
1343K91.8Very high90.8Very high32 Ų3267.4 Ų67.414%0.13931%0.311CS..Hα-helixtrans-65.4-39.5174.2-81.9-168.5169.9-82.10112.5E1270 T1273 L1274 I1277 I1339 S1340 Y1345 L1346 L1347E1270-K1343 IonicContact OE1-NZ 2.73Å; E1270-K1343 PolarHBondContact OE1-NZ 3.32Å; E1270-K1343 WeakPolarHBondContact OE2-CG 3.35Å; E1270-K1343 IonicContact OE2-NZ 2.67Å; E1270-K1343 PolarHBondContact OE2-NZ 2.95Å; T1273-K1343 PolarHBondContact OG1-NZ 2.79Å; L1274-K1343 HydrophobicContact CB-CB 4.3Å; L1274-K1343 HydrophobicContact CB-CD 4.33Å; L1274-K1343 HydrophobicContact CD1-CB 4.07Å; I1277-K1343 HydrophobicContact CD1-CD 3.69Å; I1339-K1343 PolarHBondContact O-N 3.45Å; S1340-K1343 PolarHBondContact O-N 3Å; K1343-Y1345 PolarHBondContact O-N 3.37Å; K1343-L1346 PolarHBondContact O-N 3.16Å; K1343-L1347 WeakPolarHBondContact O-CG 3.32Å; K1343-L1347 PolarHBondContact O-N 3.32Å
1344K92.8Very high90.2Very high91 Ų9167.2 Ų67.240%0.39631%0.311SS..Hα-helixtrans-56-51.3171.4-70.3163-172.7164.50111.3L1274 S1340 Q1341 L1346 L1347 D1348L1274-K1344 HydrophobicContact CD1-CG 4.17Å; L1274-K1344 HydrophobicContact CD2-CG 3.67Å; S1340-K1344 VanDerWaalsContact O-CG 3.29Å; S1340-K1344 WeakPolarHBondContact O-CG 3.42Å; S1340-K1344 PolarHBondContact O-N 3.36Å; S1340-K1344 PolarHBondContact OG-NZ 2.82Å; Q1341-K1344 PolarHBondContact O-N 2.92Å; K1344-L1346 VanDerWaalsContact C-N 3.29Å; K1344-L1346 PolarHBondContact O-N 3.21Å; K1344-L1347 WeakPolarHBondContact O-CB 3.38Å; K1344-L1347 PolarHBondContact O-N 2.95Å; K1344-D1348 PolarHBondContact O-N 3.48Å
1345Y91Very high89.6Confident141 Ų14164.3 Ų64.355%0.55330%0.303SS*.Hα-helixtrans-65-28.9176.5-71.4-48.2000114.4Q1341 R1342 K1343 S1349Q1341-Y1345 HydrophobicContact CG-CD2 4.11Å; Q1341-Y1345 HydrophobicContact CG-CE2 3.7Å; Q1341-Y1345 WeakPolarHBondContact O-CD2 3.43Å; Q1341-Y1345 PolarHBondContact O-N 3.48Å; Q1341-Y1345 VanDerWaalsContact O-N 3.1Å; R1342-Y1345 PolarHBondContact O-N 3.22Å; K1343-Y1345 PolarHBondContact O-N 3.37Å; Y1345-S1349 PolarHBondContact O-N 3.19Å; Y1345-S1349 VanDerWaalsContact O-N 3.12Å
1346L90.5Very high88.9Confident74 Ų7464.4 Ų64.439%0.38731%0.307SS..Hα-helixtrans-68.9-47.5173.3-179.254.6000110.6E1270 R1342 K1343 K1344 D1348 S1349 I1350E1270-L1346 HydrophobicContact CG-CD2 4.18Å; E1270-L1346 WeakPolarHBondContact OE2-CD2 3.47Å; R1342-L1346 WeakPolarHBondContact O-CB 3.43Å; R1342-L1346 PolarHBondContact O-N 3.39Å; K1343-L1346 PolarHBondContact O-N 3.16Å; K1344-L1346 VanDerWaalsContact C-N 3.29Å; K1344-L1346 PolarHBondContact O-N 3.21Å; L1346-D1348 PolarHBondContact O-N 2.96Å; L1346-S1349 CarbonylContact O-C 3.57Å; L1346-S1349 WeakPolarHBondContact O-CA 3.47Å; L1346-S1349 WeakPolarHBondContact O-CB 3.25Å; L1346-S1349 PolarHBondContact O-N 3.06Å; L1346-S1349 PolarHBondContact O-OG 3.17Å; L1346-I1350 HydrophobicContact CD1-CD1 4.13Å; L1346-I1350 HydrophobicContact CD1-CG1 4.31Å; L1346-I1350 HydrophobicContact CG-CD1 3.91Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1346-I1350 PolarHBondContact O-N 2.94Å
1347L91.9Very high88Confident12 Ų1264.2 Ų64.26%0.06331%0.307CS..Hα-helixtrans-56.5-48.4172.3-74.7166.2000111.9A1267 E1270 L1271 L1274 K1343 K1344 S1349 I1350 Q1351A1267-L1347 HydrophobicContact CB-CD2 4.41Å; A1267-L1347 VanDerWaalsContact O-CD2 3.23Å; A1267-L1347 WeakPolarHBondContact O-CD2 3.28Å; E1270-L1347 HydrophobicContact CB-CD2 3.55Å; E1270-L1347 HydrophobicContact CB-CG 4Å; L1271-L1347 HydrophobicContact CB-CD1 4.45Å; L1271-L1347 HydrophobicContact CB-CD2 4.31Å; L1271-L1347 HydrophobicContact CD1-CD1 4.32Å; L1274-L1347 HydrophobicContact CB-CD1 4.36Å; L1274-L1347 HydrophobicContact CD2-CD1 3.66Å; K1343-L1347 WeakPolarHBondContact O-CG 3.32Å; K1343-L1347 PolarHBondContact O-N 3.32Å; K1344-L1347 WeakPolarHBondContact O-CB 3.38Å; K1344-L1347 PolarHBondContact O-N 2.95Å; L1347-S1349 PolarHBondContact O-N 3.43Å; L1347-S1349 VanDerWaalsContact O-N 3.15Å; L1347-I1350 PolarHBondContact O-N 3.29Å; L1347-I1350 VanDerWaalsContact O-N 3.12Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.32Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.29Å
1348D90.9Very high87.1Confident68 Ų6863.9 Ų63.936%0.36431%0.306SS..Hα-helixtrans-55.3-34.8174.5-63.2-22.5000111.5K1344 L1346 R1352K1344-D1348 PolarHBondContact O-N 3.48Å; L1346-D1348 PolarHBondContact O-N 2.96Å; D1348-R1352 WeakPolarHBondContact O-CB 3.19Å; D1348-R1352 WeakPolarHBondContact O-CG 3.3Å; D1348-R1352 PolarHBondContact O-N 3.35Å; D1348-R1352 PolarHBondContact O-NE 2.9Å; D1348-R1352 PolarHBondContact O-NH2 3.29Å
1349S88.2Confident86.3Confident39 Ų3968.8 Ų68.827%0.27333%0.331SS..Hα-helixtrans-76.5-41.2178.179.50000112.5Y1345 L1346 L1347 R1352 I1353Y1345-S1349 PolarHBondContact O-N 3.19Å; Y1345-S1349 VanDerWaalsContact O-N 3.12Å; L1346-S1349 CarbonylContact O-C 3.57Å; L1346-S1349 WeakPolarHBondContact O-CA 3.47Å; L1346-S1349 WeakPolarHBondContact O-CB 3.25Å; L1346-S1349 PolarHBondContact O-N 3.06Å; L1346-S1349 PolarHBondContact O-OG 3.17Å; L1347-S1349 PolarHBondContact O-N 3.43Å; L1347-S1349 VanDerWaalsContact O-N 3.15Å; S1349-R1352 PolarHBondContact O-N 3Å; S1349-I1353 VanDerWaalsContact O-CG1 3.27Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; S1349-I1353 PolarHBondContact O-N 2.92Å
1350I87.1Confident85.5Confident5 Ų569 Ų693%0.02633%0.332CS..Hα-helixtrans-64.1-45.7176.9-63.8158.4000109.9L1263 L1266 A1267 E1270 L1346 L1347 R1352 I1353 S1354L1263-I1350 HydrophobicContact CB-CG2 4.32Å; L1263-I1350 HydrophobicContact CD2-CG2 4.01Å; L1263-I1350 WeakPolarHBondContact O-CG2 3.48Å; L1266-I1350 HydrophobicContact CD2-CD1 3.88Å; L1266-I1350 HydrophobicContact CD2-CG1 4.04Å; L1266-I1350 HydrophobicContact CG-CD1 3.81Å; L1266-I1350 HydrophobicContact CG-CG1 4.44Å; A1267-I1350 HydrophobicContact CB-CG2 3.86Å; E1270-I1350 HydrophobicContact CB-CD1 4.33Å; E1270-I1350 HydrophobicContact CG-CD1 4.01Å; L1346-I1350 HydrophobicContact CD1-CD1 4.13Å; L1346-I1350 HydrophobicContact CD1-CG1 4.31Å; L1346-I1350 HydrophobicContact CG-CD1 3.91Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1346-I1350 PolarHBondContact O-N 2.94Å; L1347-I1350 PolarHBondContact O-N 3.29Å; L1347-I1350 VanDerWaalsContact O-N 3.12Å; I1350-R1352 VanDerWaalsContact C-N 3.34Å; I1350-R1352 PolarHBondContact O-N 3.46Å; I1350-I1353 PolarHBondContact O-N 3.34Å; I1350-I1353 VanDerWaalsContact O-N 3.16Å; I1350-S1354 WeakPolarHBondContact O-CB 3.28Å; I1350-S1354 PolarHBondContact O-N 3.45Å
1351Q87Confident84.6Confident117 Ų11770.9 Ų70.955%0.54734%0.344SS..Hα-helixtrans-61-40.1176.6-71.7180-4.600112.4L1347 S1354 S1355L1347-Q1351 WeakPolarHBondContact O-CB 3.32Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.29Å; Q1351-S1354 PolarHBondContact O-N 3.21Å; Q1351-S1355 WeakPolarHBondContact O-CB 3.5Å; Q1351-S1355 PolarHBondContact O-N 3.5Å; Q1351-S1355 PolarHBondContact O-OG 3.09Å
1352R87.1Confident83.8Confident153 Ų15374 Ų7458%0.57736%0.358SS*.Hα-helixtrans-68.7-32174.5-80.4176.5-68.9169.2-1.4113.5D1348 S1349 I1350 S1355 V1356D1348-R1352 WeakPolarHBondContact O-CB 3.19Å; D1348-R1352 WeakPolarHBondContact O-CG 3.3Å; D1348-R1352 PolarHBondContact O-N 3.35Å; D1348-R1352 PolarHBondContact O-NE 2.9Å; D1348-R1352 PolarHBondContact O-NH2 3.29Å; S1349-R1352 PolarHBondContact O-N 3Å; I1350-R1352 VanDerWaalsContact C-N 3.34Å; I1350-R1352 PolarHBondContact O-N 3.46Å; R1352-S1355 PolarHBondContact O-OG 3.49Å; R1352-V1356 WeakPolarHBondContact O-CB 3.44Å; R1352-V1356 VanDerWaalsContact O-CG2 3.25Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; R1352-V1356 PolarHBondContact O-N 2.97Å; R1352-V1356 VanDerWaalsContact O-N 3.16Å
1353I80.5Confident83.1Confident86 Ų8674.3 Ų74.344%0.44137%0.365SS..Hα-helixtrans-73.6-46.4173.4-60.8163000109.1L1263 S1349 I1350 S1355 V1356 T1357L1263-I1353 HydrophobicContact CD1-CB 4.28Å; L1263-I1353 HydrophobicContact CD1-CG2 3.56Å; L1263-I1353 HydrophobicContact CD2-CB 4.25Å; L1263-I1353 HydrophobicContact CD2-CG2 4.06Å; L1263-I1353 HydrophobicContact CG-CG2 4.5Å; S1349-I1353 VanDerWaalsContact O-CG1 3.27Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.29Å; S1349-I1353 PolarHBondContact O-N 2.92Å; I1350-I1353 PolarHBondContact O-N 3.34Å; I1350-I1353 VanDerWaalsContact O-N 3.16Å; I1353-S1355 VanDerWaalsContact C-N 3.33Å; I1353-S1355 PolarHBondContact O-N 2.82Å; I1353-V1356 PolarHBondContact O-N 3.46Å; I1353-V1356 VanDerWaalsContact O-N 3.17Å; I1353-T1357 WeakPolarHBondContact O-CB 3.19Å; I1353-T1357 PolarHBondContact O-N 3.03Å; I1353-T1357 PolarHBondContact O-OG1 3.09Å
1354S79.7Confident82.1Confident7 Ų778.6 Ų78.65%0.04938%0.384CS..Hα-helixtrans-55-44.8175.4179.20000111.8D1264 I1350 Q1351 T1357 K1358D1264-S1354 PolarHBondContact OD1-OG 2.89Å; I1350-S1354 WeakPolarHBondContact O-CB 3.28Å; I1350-S1354 PolarHBondContact O-N 3.45Å; Q1351-S1354 PolarHBondContact O-N 3.21Å; S1354-T1357 PolarHBondContact O-N 3.36Å; S1354-K1358 WeakPolarHBondContact O-CB 3.48Å; S1354-K1358 VanDerWaalsContact O-CG 3.28Å; S1354-K1358 WeakPolarHBondContact O-CG 3.35Å; S1354-K1358 PolarHBondContact O-N 3.49Å; S1354-K1358 WeakPolarHBondContact OG-CE 3.17Å; S1354-K1358 PolarHBondContact OG-NZ 3.18Å
1355S82.2Confident81.2Confident54 Ų5475.8 Ų75.838%0.37838%0.375SS..Hα-helixtrans-69.2-37.6176.867.50000113.5Q1351 R1352 I1353 N1359Q1351-S1355 WeakPolarHBondContact O-CB 3.5Å; Q1351-S1355 PolarHBondContact O-N 3.5Å; Q1351-S1355 PolarHBondContact O-OG 3.09Å; R1352-S1355 PolarHBondContact O-OG 3.49Å; I1353-S1355 VanDerWaalsContact C-N 3.33Å; I1353-S1355 PolarHBondContact O-N 2.82Å; S1355-N1359 VanDerWaalsContact O-CB 3.28Å; S1355-N1359 WeakPolarHBondContact O-CB 3.05Å; S1355-N1359 PolarHBondContact O-N 3.18Å; S1355-N1359 PolarHBondContact O-ND2 3.45Å; S1355-N1359 PolarHBondContact O-OD1 2.81Å
1356V78.5Confident80.4Confident84 Ų8472.5 Ų72.551%0.50937%0.372SS..Hα-helixtrans-65.5-42172.3168.40000111.4R1352 I1353 N1359 L1360R1352-V1356 WeakPolarHBondContact O-CB 3.44Å; R1352-V1356 VanDerWaalsContact O-CG2 3.25Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; R1352-V1356 PolarHBondContact O-N 2.97Å; R1352-V1356 VanDerWaalsContact O-N 3.16Å; I1353-V1356 PolarHBondContact O-N 3.46Å; I1353-V1356 VanDerWaalsContact O-N 3.17Å; V1356-N1359 PolarHBondContact O-N 3.04Å; V1356-L1360 HydrophobicContact CG1-CD1 4.1Å; V1356-L1360 VanDerWaalsContact O-CG 3.32Å; V1356-L1360 WeakPolarHBondContact O-CG 3.42Å; V1356-L1360 PolarHBondContact O-N 3.11Å
1357T73.7Confident79.3Confident19 Ų1971.3 Ų71.312%0.11738%0.377CS..Hα-helixtrans-64.4-44.8176.8-600000111.1V1256 A1260 I1353 S1354 L1360 V1361V1256-T1357 HydrophobicContact CG1-CG2 3.89Å; V1256-T1357 WeakPolarHBondContact O-CG2 3.46Å; A1260-T1357 HydrophobicContact CB-CG2 3.83Å; I1353-T1357 WeakPolarHBondContact O-CB 3.19Å; I1353-T1357 PolarHBondContact O-N 3.03Å; I1353-T1357 PolarHBondContact O-OG1 3.09Å; S1354-T1357 PolarHBondContact O-N 3.36Å; T1357-L1360 PolarHBondContact O-N 3.22Å; T1357-V1361 WeakPolarHBondContact O-CG2 3.46Å; T1357-V1361 PolarHBondContact O-N 3.02Å
1358K75.3Confident77.8Confident73 Ų7372.7 Ų72.732%0.31738%0.384SS..Hα-helixtrans-63.8-42.1174.7-74.9165.1177.9163.80112D1264 S1354 L1360 V1361 H1362D1264-K1358 IonicContact OD1-NZ 2.69Å; D1264-K1358 PolarHBondContact OD1-NZ 2.92Å; D1264-K1358 IonicContact OD2-NZ 2.7Å; D1264-K1358 PolarHBondContact OD2-NZ 3.17Å; S1354-K1358 WeakPolarHBondContact O-CB 3.48Å; S1354-K1358 VanDerWaalsContact O-CG 3.28Å; S1354-K1358 WeakPolarHBondContact O-CG 3.35Å; S1354-K1358 PolarHBondContact O-N 3.49Å; S1354-K1358 WeakPolarHBondContact OG-CE 3.17Å; S1354-K1358 PolarHBondContact OG-NZ 3.18Å; K1358-L1360 VanDerWaalsContact C-N 3.32Å; K1358-L1360 PolarHBondContact O-N 3.33Å; K1358-V1361 PolarHBondContact O-N 2.89Å; K1358-H1362 PolarHBondContact O-CD2 2.91Å; K1358-H1362 PolarHBondContact O-N 3.44Å
1359N77.5Confident76.5Confident108 Ų10874.6 Ų74.658%0.57839%0.391SS*.Hα-helixtrans-62.8-37.2174.6-71.8-6000112.2S1355 V1356 H1363S1355-N1359 VanDerWaalsContact O-CB 3.28Å; S1355-N1359 WeakPolarHBondContact O-CB 3.05Å; S1355-N1359 PolarHBondContact O-N 3.18Å; S1355-N1359 PolarHBondContact O-ND2 3.45Å; S1355-N1359 PolarHBondContact O-OD1 2.81Å; V1356-N1359 PolarHBondContact O-N 3.04Å; N1359-H1363 VanDerWaalsContact O-CB 3.29Å; N1359-H1363 WeakPolarHBondContact O-CB 3.29Å; N1359-H1363 PolarHBondContact O-N 3.43Å
1360L74.6Confident75.5Confident84 Ų8477.3 Ų77.344%0.4440%0.402SS..Hα-helixtrans-65.9-44.1172.4-73.3164.8000111.6V1356 T1357 K1358 H1362 H1363 F1364V1356-L1360 HydrophobicContact CG1-CD1 4.1Å; V1356-L1360 VanDerWaalsContact O-CG 3.32Å; V1356-L1360 WeakPolarHBondContact O-CG 3.42Å; V1356-L1360 PolarHBondContact O-N 3.11Å; T1357-L1360 PolarHBondContact O-N 3.22Å; K1358-L1360 VanDerWaalsContact C-N 3.32Å; K1358-L1360 PolarHBondContact O-N 3.33Å; L1360-H1362 PolarHBondContact O-N 2.9Å; L1360-H1363 PolarHBondContact O-N 3.32Å; L1360-F1364 HydrophobicContact CD2-CE2 4.25Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.4Å; L1360-F1364 PolarHBondContact O-N 3.22Å
1361V73.6Confident74.4Confident40 Ų4080.8 Ų80.824%0.24242%0.42CS..Hα-helixtrans-59.3-46.6174.6171.20000110.9V1256 L1257 T1357 K1358 H1363 F1364 S1365V1256-V1361 HydrophobicContact CG1-CG2 3.58Å; L1257-V1361 HydrophobicContact CD2-CG1 3.8Å; L1257-V1361 HydrophobicContact CD2-CG2 3.84Å; T1357-V1361 WeakPolarHBondContact O-CG2 3.46Å; T1357-V1361 PolarHBondContact O-N 3.02Å; K1358-V1361 PolarHBondContact O-N 2.89Å; V1361-H1363 VanDerWaalsContact C-N 3.33Å; V1361-H1363 PolarHBondContact O-N 3.24Å; V1361-F1364 PolarHBondContact O-N 2.9Å; V1361-S1365 WeakPolarHBondContact O-CB 3.17Å; V1361-S1365 PolarHBondContact O-N 3.11Å
1362H75.6Confident73.2Confident131 Ų13177.7 Ų77.761%0.60641%0.407SS*.Hα-helixtrans-65.7-32175.8-72.5-60.3000113.1K1358 L1360 P1366K1358-H1362 PolarHBondContact O-CD2 2.91Å; K1358-H1362 PolarHBondContact O-N 3.44Å; L1360-H1362 PolarHBondContact O-N 2.9Å; H1362-P1366 WeakPolarHBondContact O-CD 3.09Å
1363H75.5Confident72.2Confident142 Ų14276.3 Ų76.366%0.65741%0.407SS*.Hα-helixtrans-69.9-35.6175.8-171.8-68.2000112.5N1359 L1360 V1361N1359-H1363 VanDerWaalsContact O-CB 3.29Å; N1359-H1363 WeakPolarHBondContact O-CB 3.29Å; N1359-H1363 PolarHBondContact O-N 3.43Å; L1360-H1363 PolarHBondContact O-N 3.32Å; V1361-H1363 VanDerWaalsContact C-N 3.33Å; V1361-H1363 PolarHBondContact O-N 3.24Å
1364F72Confident71.6Confident122 Ų12278.8 Ų78.854%0.53542%0.417SS..Hα-helixtrans-90-18.7177.3-67.1-63.9000113.8L1360 V1361 G1367 I1368L1360-F1364 HydrophobicContact CD2-CE2 4.25Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.4Å; L1360-F1364 PolarHBondContact O-N 3.22Å; V1361-F1364 PolarHBondContact O-N 2.9Å; F1364-G1367 PolarHBondContact O-N 3.07Å; F1364-G1367 VanDerWaalsContact O-N 3.11Å; F1364-I1368 HydrophobicContact CB-CD1 4.21Å; F1364-I1368 WeakPolarHBondContact O-CG1 3.33Å; F1364-I1368 PolarHBondContact O-N 3.35Å
1365S73.9Confident70.8Confident32 Ų3282.8 Ų82.822%0.22444%0.437CS..Hα-helixtrans-54.3-47-179.4161.50000113.6V1361 G1367 I1368 H1369V1361-S1365 WeakPolarHBondContact O-CB 3.17Å; V1361-S1365 PolarHBondContact O-N 3.11Å; S1365-G1367 PolarHBondContact O-N 3.4Å; S1365-I1368 CarbonylContact O-C 3.6Å; S1365-I1368 WeakPolarHBondContact O-CB 3.3Å; S1365-I1368 PolarHBondContact O-N 3.32Å; S1365-I1368 VanDerWaalsContact O-N 3.15Å; S1365-H1369 PolarHBondContact O-CD2 3.15Å; S1365-H1369 PolarHBondContact O-N 3.32Å; S1365-H1369 PolarHBondContact OG-CD2 3.21Å; S1365-H1369 PolarHBondContact OG-NE2 2.84Å
1366P72.7Confident69.9Low73 Ų7386 Ų8647%0.47445%0.446SS..Hα-helixtrans-59.4-43.6174.1-26.435.1000113.1H1362 I1368 H1369 N1370H1362-P1366 WeakPolarHBondContact O-CD 3.09Å; P1366-I1368 VanDerWaalsContact C-N 3.26Å; P1366-I1368 PolarHBondContact O-N 2.85Å; P1366-H1369 PolarHBondContact O-N 3.06Å; P1366-N1370 PolarHBondContact O-N 2.95Å; P1366-N1370 PolarHBondContact O-OD1 2.91Å
1367G67.5Low69.1Low49 Ų4986.9 Ų86.951%0.50545%0.448SS..Hα-helixtrans-64.6-30.7176.100000113.4F1364 S1365 L1371F1364-G1367 PolarHBondContact O-N 3.07Å; F1364-G1367 VanDerWaalsContact O-N 3.11Å; S1365-G1367 PolarHBondContact O-N 3.4Å; G1367-L1371 VanDerWaalsContact O-CB 3.3Å; G1367-L1371 WeakPolarHBondContact O-CB 3.33Å; G1367-L1371 PolarHBondContact O-N 2.87Å
1368I61.6Low68.1Low40 Ų4089.1 Ų89.121%0.20546%0.464CS..Hα-helixtrans-72.4-42.6172.9-72.4162.6000110.8V1248 L1249 F1364 S1365 P1366 L1371 I1372V1248-I1368 HydrophobicContact CB-CG2 4.21Å; V1248-I1368 HydrophobicContact CG1-CB 4.45Å; V1248-I1368 HydrophobicContact CG1-CG2 3.97Å; L1249-I1368 HydrophobicContact CD2-CD1 3.68Å; L1249-I1368 HydrophobicContact CG-CD1 4.19Å; F1364-I1368 HydrophobicContact CB-CD1 4.21Å; F1364-I1368 WeakPolarHBondContact O-CG1 3.33Å; F1364-I1368 PolarHBondContact O-N 3.35Å; S1365-I1368 CarbonylContact O-C 3.6Å; S1365-I1368 WeakPolarHBondContact O-CB 3.3Å; S1365-I1368 PolarHBondContact O-N 3.32Å; S1365-I1368 VanDerWaalsContact O-N 3.15Å; P1366-I1368 VanDerWaalsContact C-N 3.26Å; P1366-I1368 PolarHBondContact O-N 2.85Å; I1368-L1371 PolarHBondContact O-N 3.02Å; I1368-I1372 HydrophobicContact CG2-CD1 4.16Å; I1368-I1372 WeakPolarHBondContact O-CG1 3.33Å; I1368-I1372 PolarHBondContact O-N 3.09Å
1369H62.9Low66.9Low109 Ų10989.2 Ų89.251%0.50547%0.474SS..Hα-helixtrans-65.3-48.4177.5-75.3-63.5000112S1365 P1366 L1371 I1372 E1373S1365-H1369 PolarHBondContact O-CD2 3.15Å; S1365-H1369 PolarHBondContact O-N 3.32Å; S1365-H1369 PolarHBondContact OG-CD2 3.21Å; S1365-H1369 PolarHBondContact OG-NE2 2.84Å; P1366-H1369 PolarHBondContact O-N 3.06Å; H1369-L1371 PolarHBondContact O-N 3.17Å; H1369-I1372 WeakPolarHBondContact O-CB 3.15Å; H1369-I1372 PolarHBondContact O-N 2.95Å; H1369-E1373 PolarHBondContact O-N 2.92Å
1370N67.3Low65.6Low95 Ų9590 Ų9051%0.50848%0.479SS..Hα-helixtrans-58.5-33.7174.9-69.940.4000112.1P1366 E1373 E1374P1366-N1370 PolarHBondContact O-N 2.95Å; P1366-N1370 PolarHBondContact O-OD1 2.91Å; N1370-E1373 PolarHBondContact O-N 3.41Å; N1370-E1374 WeakPolarHBondContact O-CB 3.4Å; N1370-E1374 WeakPolarHBondContact O-CG 3.44Å; N1370-E1374 PolarHBondContact O-N 3Å
1371L64.7Low64.3Low78 Ų7892.3 Ų92.341%0.40849%0.491SS..Hα-helixtrans-82.9-19.8178-160.5139000113.4V1248 G1367 I1368 H1369 L1375V1248-L1371 HydrophobicContact CG1-CB 4.13Å; V1248-L1371 HydrophobicContact CG1-CD2 3.56Å; V1248-L1371 HydrophobicContact CG1-CG 4.47Å; G1367-L1371 VanDerWaalsContact O-CB 3.3Å; G1367-L1371 WeakPolarHBondContact O-CB 3.33Å; G1367-L1371 PolarHBondContact O-N 2.87Å; I1368-L1371 PolarHBondContact O-N 3.02Å; H1369-L1371 PolarHBondContact O-N 3.17Å; L1371-L1375 HydrophobicContact CD2-CD1 3.78Å; L1371-L1375 HydrophobicContact CD2-CG 4.33Å; L1371-L1375 WeakPolarHBondContact O-CB 3.5Å; L1371-L1375 WeakPolarHBondContact O-CD1 3.44Å; L1371-L1375 WeakPolarHBondContact O-CG 3.3Å; L1371-L1375 PolarHBondContact O-N 2.74Å
1372I62.1Low62.7Low53 Ų5394.3 Ų94.327%0.27251%0.507SS..Hα-helixtrans-66.5-49.5161.6-68.4162000108.7V1248 I1368 H1369 L1375 E1376V1248-I1372 HydrophobicContact CB-CD1 4.48Å; V1248-I1372 HydrophobicContact CB-CG1 3.81Å; V1248-I1372 HydrophobicContact CG1-CG1 4.19Å; V1248-I1372 HydrophobicContact CG2-CB 4.47Å; V1248-I1372 HydrophobicContact CG2-CG1 3.47Å; V1248-I1372 VanDerWaalsContact CG2-CG1 3.47Å; I1368-I1372 HydrophobicContact CG2-CD1 4.16Å; I1368-I1372 WeakPolarHBondContact O-CG1 3.33Å; I1368-I1372 PolarHBondContact O-N 3.09Å; H1369-I1372 WeakPolarHBondContact O-CB 3.15Å; H1369-I1372 PolarHBondContact O-N 2.95Å; I1372-L1375 PolarHBondContact O-N 2.95Å; I1372-L1375 VanDerWaalsContact O-N 3.09Å; I1372-E1376 HydrophobicContact CG2-CG 4.26Å; I1372-E1376 WeakPolarHBondContact O-CG 3.36Å; I1372-E1376 PolarHBondContact O-N 3.34Å
1373E65.2Low60.9Low124 Ų12493.9 Ų93.958%0.57952%0.519SS*.Hα-helixtrans-61-48.4-177.4-157.7165.1-143.600111.5H1369 N1370 L1375 E1376 D1377H1369-E1373 PolarHBondContact O-N 2.92Å; N1370-E1373 PolarHBondContact O-N 3.41Å; E1373-L1375 VanDerWaalsContact C-N 3.29Å; E1373-L1375 PolarHBondContact O-N 3.27Å; E1373-E1376 PolarHBondContact O-N 3.11Å; E1373-D1377 WeakPolarHBondContact O-CB 3.47Å; E1373-D1377 PolarHBondContact O-N 3.44Å
1374E67.8Low59.3Low138 Ų13896.3 Ų96.365%0.64553%0.527SS*.Hα-helixtrans-58.1-36.5172.1-77.6-174.9173.400113N1370 S1378N1370-E1374 WeakPolarHBondContact O-CB 3.4Å; N1370-E1374 WeakPolarHBondContact O-CG 3.44Å; N1370-E1374 PolarHBondContact O-N 3Å; E1374-S1378 VanDerWaalsContact O-CB 3.3Å; E1374-S1378 WeakPolarHBondContact O-CB 3.49Å; E1374-S1378 PolarHBondContact O-N 2.98Å
1375L62.9Low57.4Low91 Ų9195.5 Ų95.548%0.47654%0.537SS..Hα-helixtrans-74.2-42178.7-77.6172.8000112V1248 L1371 I1372 E1373 S1378 S1379V1248-L1375 HydrophobicContact CG2-CD1 3.97Å; L1371-L1375 HydrophobicContact CD2-CD1 3.78Å; L1371-L1375 HydrophobicContact CD2-CG 4.33Å; L1371-L1375 WeakPolarHBondContact O-CB 3.5Å; L1371-L1375 WeakPolarHBondContact O-CD1 3.44Å; L1371-L1375 WeakPolarHBondContact O-CG 3.3Å; L1371-L1375 PolarHBondContact O-N 2.74Å; I1372-L1375 PolarHBondContact O-N 2.95Å; I1372-L1375 VanDerWaalsContact O-N 3.09Å; E1373-L1375 VanDerWaalsContact C-N 3.29Å; E1373-L1375 PolarHBondContact O-N 3.27Å; L1375-S1378 PolarHBondContact O-N 3.43Å; L1375-S1378 PolarHBondContact O-OG 3.4Å; L1375-S1379 PolarHBondContact O-N 3.47Å; L1375-S1379 VanDerWaalsContact O-N 3.11Å
1376E63.6Low55.6Low121 Ų121102.3 Ų102.357%0.56557%0.57SS**Hα-helixtrans-65.5-44.9177.3-71.4-177.8178.400110.8I1372 E1373 S1378 S1379 N1380I1372-E1376 HydrophobicContact CG2-CG 4.26Å; I1372-E1376 WeakPolarHBondContact O-CG 3.36Å; I1372-E1376 PolarHBondContact O-N 3.34Å; E1373-E1376 PolarHBondContact O-N 3.11Å; E1376-S1378 VanDerWaalsContact C-N 3.33Å; E1376-S1378 PolarHBondContact O-N 2.88Å; E1376-S1379 WeakPolarHBondContact O-CB 3.28Å; E1376-S1379 PolarHBondContact O-N 3.32Å; E1376-S1379 VanDerWaalsContact O-N 3.14Å; E1376-S1379 PolarHBondContact O-OG 3.31Å; E1376-N1380 PolarHBondContact O-N 3.11Å; E1376-N1380 PolarHBondContact O-ND2 3.31Å; E1376-N1380 VanDerWaalsContact O-ND2 3.15Å
1377D61.1Low53.7Low102 Ų102103.1 Ų103.155%0.54558%0.578SS.*Hα-helixtrans-62.3-36.2172.9-88-14.3000112.9E1373 S1379 N1381E1373-D1377 WeakPolarHBondContact O-CB 3.47Å; E1373-D1377 PolarHBondContact O-N 3.44Å; D1377-S1379 VanDerWaalsContact C-N 3.29Å; D1377-S1379 PolarHBondContact O-N 3.05Å; D1377-N1381 PolarHBondContact O-ND2 2.86Å
1378S53.2Low52Low66 Ų66106.8 Ų106.846%0.46259%0.592SS.*Hα-helixtrans-64.3-35.417581.40000112.4E1374 L1375 E1376 N1381E1374-S1378 VanDerWaalsContact O-CB 3.3Å; E1374-S1378 WeakPolarHBondContact O-CB 3.49Å; E1374-S1378 PolarHBondContact O-N 2.98Å; L1375-S1378 PolarHBondContact O-N 3.43Å; L1375-S1378 PolarHBondContact O-OG 3.4Å; E1376-S1378 VanDerWaalsContact C-N 3.33Å; E1376-S1378 PolarHBondContact O-N 2.88Å; S1378-N1381 PolarHBondContact O-N 2.72Å
1379S49.8Very low50.4Low76 Ų76109.6 Ų109.653%0.53162%0.615SS.*Hα-helixtrans-69.8-34-177.3790000112.9L1375 E1376 D1377 N1381L1375-S1379 PolarHBondContact O-N 3.47Å; L1375-S1379 VanDerWaalsContact O-N 3.11Å; E1376-S1379 WeakPolarHBondContact O-CB 3.28Å; E1376-S1379 PolarHBondContact O-N 3.32Å; E1376-S1379 VanDerWaalsContact O-N 3.14Å; E1376-S1379 PolarHBondContact O-OG 3.31Å; D1377-S1379 VanDerWaalsContact C-N 3.29Å; D1377-S1379 PolarHBondContact O-N 3.05Å; S1379-N1381 VanDerWaalsContact C-N 3.28Å; S1379-N1381 PolarHBondContact O-N 2.93Å
1380N51.1Low48.9Very low125 Ų125110 Ų11067%0.66863%0.631SS**Hα-helixtrans-76.2-14.4-178.2-69.9-45.9000113.5E1376E1376-N1380 PolarHBondContact O-N 3.11Å; E1376-N1380 PolarHBondContact O-ND2 3.31Å; E1376-N1380 VanDerWaalsContact O-ND2 3.15Å
1381N46.5Very low47.3Very low132 Ų132110.2 Ų110.271%0.70664%0.64SS**THydrogen-bonded Turntrans-113.50-171.9-72.5-72.1000114.8D1377 S1378 S1379D1377-N1381 PolarHBondContact O-ND2 2.86Å; S1378-N1381 PolarHBondContact O-N 2.72Å; S1379-N1381 VanDerWaalsContact C-N 3.28Å; S1379-N1381 PolarHBondContact O-N 2.93Å
1382S40.7Very low45.9Very low82 Ų82115.4 Ų115.457%0.57366%0.659SS**  trans-108.739-17075.40000115.4K1384S1382-K1384 PolarHBondContact O-N 3.37Å
1383S37.3Very low44.4Very low121 Ų121118.1 Ų118.185%0.84668%0.678SS**  trans-74.340.1179.551.70000114.9
1384K41.8Very low42.8Very low193 Ų193119.8 Ų119.884%0.83969%0.691SS**  trans-104.4114.5171.7-77-178.6177.3173.40110.6S1382 L1386S1382-K1384 PolarHBondContact O-N 3.37Å; K1384-L1386 PolarHBondContact O-N 2.69Å; K1384-L1386 VanDerWaalsContact O-N 3.17Å
1385S32.6Very low41.1Very low106 Ų106120.3 Ų120.374%0.74170%0.698SS**  trans-67.8106.8-175.445.10000113.3S1387S1385-S1387 PolarHBondContact O-N 3.4Å
1386L36.1Very low39.8Very low175 Ų175124.1 Ų124.192%0.91672%0.718SS**  trans-81.160.2167.3-71.8173.3000111.4K1384 P1388K1384-L1386 PolarHBondContact O-N 2.69Å; K1384-L1386 VanDerWaalsContact O-N 3.17Å; L1386-P1388 WeakPolarHBondContact O-CD 3.25Å
1387S31.3Very low38.3Very low90 Ų90122.9 Ų122.963%0.62972%0.723SS**  trans-73122170.2-61.80000109.8S1385 S1389S1385-S1387 PolarHBondContact O-N 3.4Å; S1387-S1389 VanDerWaalsContact C-N 3.35Å; S1387-S1389 PolarHBondContact O-N 3.43Å
1388P31.6Very low37Very low125 Ų125125.4 Ų125.481%0.81274%0.736SS**  trans-7583.8-179.230.3-34.8000111.2L1386 S1390L1386-P1388 WeakPolarHBondContact O-CD 3.25Å; P1388-S1390 PolarHBondContact O-N 3.14Å
1389S29.9Very low36.2Very low99 Ų99128.5 Ų128.569%0.69275%0.753SS**  trans-70.996.8179.4-173.60000111.8S1387 S1391S1387-S1389 VanDerWaalsContact C-N 3.35Å; S1387-S1389 PolarHBondContact O-N 3.43Å; S1389-S1391 PolarHBondContact O-N 3.45Å; S1389-S1391 PolarHBondContact OG-OG 3.15Å
1390S29.5Very low35.3Very low118 Ų118129.9 Ų129.983%0.82576%0.762SS**  trans-78.660.8172.451.90000112.2P1388P1388-S1390 PolarHBondContact O-N 3.14Å
1391S34.4Very low34.2Very low100 Ų100128.7 Ų128.770%0.69976%0.764SS**  trans-81.1128.8174.833.70000112S1389S1389-S1391 PolarHBondContact O-N 3.45Å; S1389-S1391 PolarHBondContact OG-OG 3.15Å
1392K34.9Very low33.5Very low186 Ų186128 Ų12881%0.80977%0.765SS**  trans-84.5162.8-172.8-69.5174.2175.3173.30113.3
1393T31.4Very low32.8Very low110 Ų110129.6 Ų129.668%0.67577%0.773SS**  trans57.2123.3151.944.70000117.3
1394N31.1Very low32.6Very low159 Ų159129.9 Ų129.985%0.8577%0.769SS**  -127.2152.460.4-81.2-34.4000115.1
1395L32.2Very low32Very low150 Ų150126.3 Ų126.379%0.78576%0.764SS**  trans-89.7135.1157.5-75.675.7000107.3
1396D35Very low31.9Very low171 Ų171129.4 Ų129.491%0.91477%0.771SS**  trans-132.9133140.1-107.8-46.1000108
1397S32Very low31.6Very low94 Ų94131.8 Ų131.866%0.65777%0.768SS**  trans-98137.1-165.852.90000111.5
1398N34Very low31.4Very low155 Ų155138.7 Ų138.783%0.82978%0.78SS**  trans-173.7164.3134.7-97.9-47.8000112.9
1399T36.4Very low31.2Very low131 Ų131139 Ų13980%0.80479%0.785SS**  trans67.178.8172.1570000119.3
1400S32Very low31.4Very low105 Ų105139 Ų13973%0.73479%0.785SS**  56.4133.3122.9-170.30000122.5
1401S28.4Very low31.2Very low100 Ų100145.1 Ų145.170%0.69979%0.79SS**  trans61.8132.2150.749.30000118.6
1402T29.9Very low31.2Very low119 Ų119151.4 Ų151.473%0.7380%0.799SS**  cis-159.2150.22.98.50000109V1404T1402-V1404 PolarHBondContact O-N 2.92Å
1403P27.7Very low30.9Very low114 Ų114152.3 Ų152.374%0.7480%0.803SS**  trans-76113.4-177.329.9-34000112.6T1405P1403-T1405 PolarHBondContact O-N 3.08Å; P1403-T1405 VanDerWaalsContact O-N 3.12Å
1404V31.6Very low31.1Very low128 Ų128153.1 Ų153.178%0.77681%0.81SS**  trans-79.694.1175-178.40000110.1T1402 L1406T1402-V1404 PolarHBondContact O-N 2.92Å; V1404-L1406 PolarHBondContact O-N 3.1Å
1405T29.4Very low31.2Very low118 Ų118151.6 Ų151.672%0.72481%0.807SS**  trans-73.3102.9171.248.30000110.7P1403 R1407P1403-T1405 PolarHBondContact O-N 3.08Å; P1403-T1405 VanDerWaalsContact O-N 3.12Å; T1405-R1407 PolarHBondContact O-N 2.84Å
1406L31.2Very low31.3Very low170 Ų170153.6 Ų153.689%0.8981%0.812SS**  trans-73.474.8167.5-74.5178.7000110.6V1404 R1408V1404-L1406 PolarHBondContact O-N 3.1Å; L1406-R1408 PolarHBondContact O-N 3.08Å
1407R28.9Very low31.1Very low226 Ų226150.9 Ų150.985%0.85380%0.797SS**  trans-62.5126.7179.5-175.2176.6-174.6151.81.1110.7T1405 S1409T1405-R1407 PolarHBondContact O-N 2.84Å; R1407-S1409 PolarHBondContact O-N 3.17Å
1408R28.5Very low31.2Very low234 Ų234151.9 Ų151.988%0.88380%0.802SS**  trans-43.5130.3174.2-70.6-178.6172.4-169.7-3.8111.4L1406 S1410L1406-R1408 PolarHBondContact O-N 3.08Å; R1408-S1410 PolarHBondContact O-N 2.87Å
1409S27.7Very low31Very low131 Ų131150.4 Ų150.492%0.91679%0.792SS**  trans-71.670.7-180-171.70000112.5R1407R1407-S1409 PolarHBondContact O-N 3.17Å
1410S32.2Very low30.8Very low100 Ų100150.4 Ų150.470%0.69979%0.792SS**  trans-90.4134.1169.8-1700000109.9R1408 R1412R1408-S1410 PolarHBondContact O-N 2.87Å; S1410-R1412 PolarHBondContact O-N 3.41Å
1411R26.3Very low30.5Very low247 Ų247155.9 Ų155.993%0.93280%0.796SS**  trans-68.992.5-170.7-61.3-179-175.5-176.52.6112.4
1412R34.7Very low30.8Very low231 Ų231160.1 Ų160.187%0.87281%0.805SS**  trans-139.7131.3164.1-67.4-166.2179.3-162.2-0.2112.2S1410S1410-R1412 PolarHBondContact O-N 3.41Å
1413F27.2Very low30.8Very low206 Ų206160 Ų16090%0.90480%0.804SS**PPolyproline II helixtrans-74.7143.9173-67.6-98.8000111.2
1414P36.1Very low30.7Very low126 Ų126164.4 Ų164.482%0.81881%0.806SS**PPolyproline II helixtrans-100.5130.5149.1-2.522.8000110
1415T34Very low30.6Very low127 Ų127169.9 Ų169.978%0.77981%0.813SS**PPolyproline II helixtrans-92.7118.2176470000111.4
1416H34.6Very low30.5Very low192 Ų192173.7 Ų173.789%0.88981%0.814SS**  trans-155.5134.9139.6-122.7-80.8000112
1417N29.6Very low30.5Very low115 Ų115172.5 Ų172.562%0.61581%0.808SS**  trans-103.8157.1170.7-134.1-41.1000107.2I1419N1417-I1419 PolarHBondContact OD1-N 2.67Å; N1417-I1419 VanDerWaalsContact OD1-N 3.12Å
1418P34.8Very low30.7Very low115 Ų115168.5 Ų168.575%0.74780%0.804SS**  -140.9147.18437.4-23000116.4V1420P1418-V1420 PolarHBondContact O-N 2.73Å
1419I29.1Very low30.7Very low123 Ų123163.6 Ų163.663%0.63180%0.8SS**  trans-63.2116.6168.5-63.3158.6000110.1N1417 R1421N1417-I1419 PolarHBondContact OD1-N 2.67Å; N1417-I1419 VanDerWaalsContact OD1-N 3.12Å; I1419-R1421 HydrophobicContact CG2-CG 3.77Å
1420V32.7Very low30.9Very low131 Ų131161.7 Ų161.779%0.79479%0.792SS**  trans-101.694.6157.3-178.60000109.2P1418 Q1422P1418-V1420 PolarHBondContact O-N 2.73Å; V1420-Q1422 PolarHBondContact O-N 3.46Å; V1420-Q1422 VanDerWaalsContact O-N 3.1Å
1421R26.9Very low30.8Very low220 Ų220164.1 Ų164.183%0.8380%0.795SS**  trans-71.591.6165.1-79.3170.6172.3160.4-3.9109I1419 V1423I1419-R1421 HydrophobicContact CG2-CG 3.77Å; R1421-V1423 PolarHBondContact O-N 3.48Å
1422Q32.8Very low31.2Very low189 Ų189158.6 Ų158.688%0.88379%0.789SS**  trans-81.1114164.1-153171.92900110.5V1420V1420-Q1422 PolarHBondContact O-N 3.46Å; V1420-Q1422 VanDerWaalsContact O-N 3.1Å
1423V30.1Very low31.1Very low118 Ų118159 Ų15972%0.71579%0.791SS**  trans-68.7138-171.3174.30000111.7R1421 R1425R1421-V1423 PolarHBondContact O-N 3.48Å; V1423-R1425 PolarHBondContact O-N 2.98Å
1424R25.7Very low31.3Very low206 Ų206152.6 Ų152.678%0.77778%0.783SS**  trans-58.493173-174.8-173.6-162149.97.6112.1R1426R1424-R1426 PolarHBondContact O-N 3.21Å
1425R31.2Very low31.3Very low243 Ų243151.9 Ų151.992%0.91778%0.781SS**  trans-79.6106.9163.3-76.4-166.1173.6-160.5-0.8110.2V1423V1423-R1425 PolarHBondContact O-N 2.98Å
1426R26.2Very low31.3Very low198 Ų198155.4 Ų155.475%0.74779%0.786SS**  trans-78.3132.2150.4-79.4177.2165.6142.8-8.1107.7R1424R1424-R1426 PolarHBondContact O-N 3.21Å
1427N31.8Very low31.2Very low144 Ų144151 Ų15177%0.7778%0.776SS**  trans176.6121.1148.3-89.6-8.6000105.8
1428N32.4Very low31.5Very low143 Ų143152.6 Ų152.677%0.76578%0.784SS**  79.491.770.1-71.816.6000112.9
1429V28.1Very low31.6Very low131 Ų131152.4 Ų152.479%0.79478%0.781SS**  trans29.6103.8139.9-169.70000118.9I1431V1429-I1431 HydrophobicContact CG1-CD1 3.92Å; V1429-I1431 HydrophobicContact CG1-CG1 4.25Å
1430A33.1Very low32Very low90 Ų90151.2 Ų151.274%0.74478%0.784SS**  trans-159.7134.214000000105.4
1431I28.8Very low32.1Very low151 Ų151151.8 Ų151.877%0.77478%0.781SS**  cis71.960.624.7-39.7-176.1000114.5V1429V1429-I1431 HydrophobicContact CG1-CD1 3.92Å; V1429-I1431 HydrophobicContact CG1-CG1 4.25Å
1432T34.8Very low32.5Very low132 Ų132147.7 Ų147.781%0.8178%0.775SS**  trans-164.4154.7145.226.40000107.8
1433R34.2Very low32.8Very low238 Ų238146.5 Ų146.590%0.89877%0.766SS**  cis149.4112.8-18.1178.4-174.7-160-165.27.8105.3
1434G30.6Very low33.1Very low72 Ų72147.5 Ų147.574%0.74277%0.768SS**  trans77.6161.5-170.900000112.8
1435S35.1Very low33.4Very low111 Ų111142.8 Ų142.878%0.77677%0.766SS**  cis-148.7142.4-0-76.90000107.8
1436K34.9Very low33.7Very low202 Ų202135.9 Ų135.988%0.87875%0.753SS**  47.7132.986.3-78.3-171.6-179.2-173.60113.3
1437S32.3Very low34Very low99 Ų99133.6 Ų133.669%0.69276%0.756SS**  cis-171-167.52.2-172.80000110.1
1438L35.3Very low34.1Very low148 Ų148132.2 Ų132.278%0.77576%0.757SS**  trans83.4133.7159.6-48.1-179.4000116.4
1439T36.7Very low33.9Very low112 Ų112136.2 Ų136.269%0.68776%0.763SS**  cis-156.8162.3-3.2-6.90000113.4
1440S37.9Very low34.3Very low98 Ų98135.5 Ų135.569%0.68576%0.762SS**  trans65.3138.8144.260.70000120.8
1441L34.9Very low34.1Very low142 Ų142133.7 Ų133.774%0.74375%0.752SS**  cis-166.9145.9-7.7-136.657.9000110.2
1442I36.3Very low34.3Very low135 Ų135133.4 Ų133.469%0.69276%0.757SS**  trans61.7145.7146.1-74.8167.5000119.4
1443K38.5Very low34.1Very low163 Ų163131.8 Ų131.871%0.70975%0.751SS**  cis-167.2151.4-23.4-103.9175.4-173.8175.50108.6
1444N35.7Very low34Very low139 Ų139125.1 Ų125.174%0.74374%0.741SS**  trans52.7138.3147.5-50.70.1000120.5
1445S32.1Very low34.2Very low107 Ų107131.1 Ų131.175%0.74875%0.75SS**  cis79140.428.2-165.20000114.8
1446P37.8Very low34.1Very low99 Ų99128.9 Ų128.964%0.64374%0.744SS**  cis-142.6-175.6-19.338.2-18.3000116.7
1447N31.9Very low34.1Very low149 Ų149126.6 Ų126.680%0.79774%0.742SS**  trans72.4157.1144.1-74.7-3.1000124.3
1448S35.7Very low34.2Very low115 Ų115128.4 Ų128.480%0.80474%0.742SS**  trans95.9118.9152.7-57.70000120.8
1449Y27.4Very low34.1Very low227 Ų227126.2 Ų126.289%0.8974%0.738SS**  trans-68.7148.6151.3-78.4-92.9000109.5
1450P36.1Very low34.1Very low117 Ų117128.3 Ų128.376%0.7675%0.745SS**  -135.8-172.979.942.3-28.2000111.4
1451G29.6Very low34Very low52 Ų52127.2 Ų127.254%0.53675%0.749SS.*  cis104.6113.36.800000112.2
1452T32.8Very low34Very low145 Ų145124 Ų12489%0.8975%0.751SS**  trans65152.2178.667.80000115.7
1453S30.8Very low34Very low97 Ų97123.9 Ų123.968%0.67876%0.756SS**  cis-168.1164.6-17.7460000112.4
1454S31.9Very low33.8Very low99 Ų99120.3 Ų120.369%0.69275%0.752SS**  trans76148.7146.674.60000121.8
1455Q35.5Very low33.8Very low197 Ų197121.2 Ų121.292%0.92176%0.757SS**  trans65.4132.3168.7-54.9-174.72.500116.9
1456G33.1Very low33.6Very low64 Ų64126.5 Ų126.566%0.6676%0.762SS**  cis162.4158.7-10.500000113.4
1457N34.7Very low33.3Very low155 Ų155127 Ų12783%0.82977%0.767SS**  trans71.4147.5162.3-63.4-5.5000118
1458I33Very low33.2Very low136 Ų136126.7 Ų126.770%0.69777%0.771SS**  cis-164.8151.8-15.4-117.8165.2000109.7
1459C33.6Very low33.1Very low102 Ų102126.8 Ų126.869%0.68977%0.766SS**  trans60.6155.9169-71.40000118.3
1460N37.6Very low33.6Very low157 Ų157130.9 Ų130.984%0.8478%0.78SS**  cis-161.6151.1-18.4-94.9-16.9000106.7
1461G35.9Very low33.5Very low75 Ų75131.6 Ų131.677%0.77378%0.781SS**  cis166.8135-10.400000112.5
1462G34.7Very low33.7Very low75 Ų75135.7 Ų135.777%0.77379%0.794SS**  trans78.3151.9161.700000118.9
1463T35.9Very low33.7Very low132 Ų132135.2 Ų135.281%0.8179%0.789SS**  cis-156.7140.3-12.542.30000110.9
1464S33.7Very low33.9Very low88 Ų88137.5 Ų137.562%0.61580%0.795SS**  trans31.7128148.663.30000120.3
1465N35.8Very low34Very low158 Ų158139.9 Ų139.985%0.84580%0.802SS**  -161.6157.871.8-95.7-52.6000114.6
1466Y28.9Very low34Very low217 Ų217136.1 Ų136.185%0.85179%0.794SS**  trans-91.7149.3176.5-82.2-111.9000112.4
1467S31.5Very low34Very low109 Ų109141.2 Ų141.276%0.76280%0.803SS**  trans-164.4100.2134.140.50000111.9
1468V28.2Very low34Very low143 Ų143140.2 Ų140.287%0.86780%0.801SS**  trans-84.1125155.61740000106.8
1469V33.9Very low34Very low118 Ų118140.5 Ų140.572%0.71581%0.81SS**  trans-133.2110.9175-178.10000109.2
1470R39Very low34.1Very low312 Ų312144 Ų144100%1.17782%0.821SS**  trans38.60160.3-63.4-177.8179.4166.40.4116.9

Retrieved 1,470 of 1,470 residues in 187.3 ms (Link to these results)