A0A077ZH75_TRITR Loading...

POU domain protein

AlphaFold DB , UniProt , Accession A0A077ZH75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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
1M41.9Very low50Low236 Ų236162.7 Ų162.7100%1.16384%0.843SS**  0118.80-73.4-71-164.900108.2
2P66.8Low50Low117 Ų117163.3 Ų163.376%0.7684%0.839SS**  cis-89.4154.2-47.69.413.4000109.8
3F42.4Very low51.1Low170 Ų170159.6 Ų159.675%0.74683%0.832SS**  60.8110.365.3-98-92.8000113.6
4E54.4Low51.5Low192 Ų192156.9 Ų156.990%0.89783%0.829SS**  -160.9159.198.3-101.4177.5135.800111
5Q43.6Very low51.5Low162 Ų162159.1 Ų159.176%0.75783%0.832SS**  trans-107.5151.9-174.9-59.4169.6-85.800109
6D58.4Low52.2Low168 Ų168156.7 Ų156.790%0.89883%0.83SS**  trans-137.8156157.4-131.9-31.3000112.5
7V52.1Low52.1Low107 Ų107157.1 Ų157.165%0.64883%0.832SS**  trans-125.7129.8-140.2168.40000112.4
8K47.9Very low51.6Low186 Ų186160.1 Ų160.181%0.80984%0.837SS**  trans65.5120.2146.8-174.1-176.7-172.6179.80118.4
9S47.8Very low51.4Low122 Ų122156.6 Ų156.685%0.85383%0.834SS**  -162.5141.6114.4-82.10000111.5
10T41Very low51.3Low135 Ų135153.3 Ų153.383%0.82883%0.83SS**  trans-106128.3178.6-56.50000108.3
11E54Low51.4Low195 Ų195152.1 Ų152.191%0.91183%0.83SS**  trans-121.9125.8170.2-159.1171.3122.400108.8
12Q50.3Low51.7Low170 Ų170150.1 Ų150.179%0.79482%0.815SS**  trans-123.5127.3-173.7-170.5177.9-0.900108.4
13P63.8Low50.4Low115 Ų115152.8 Ų152.875%0.74782%0.821SS**PPolyproline II helixtrans-71.3149.8-179.1-1529.4000112.1
14P56.9Low50.1Low122 Ų122151.7 Ų151.779%0.79282%0.822SS**PPolyproline II helixtrans-80144.3-175.431.7-35.4000113.8
15E51.4Low49.2Very low189 Ų189147.7 Ų147.788%0.88382%0.815SS**PPolyproline II helixtrans-75.8139.7162.5-81.8-155.1150.500111.5
16P62.9Low49Very low121 Ų121147.8 Ų147.879%0.78682%0.82SS**PPolyproline II helixtrans-101.5120.1164.234.1-27.2000112.9
17D49.5Very low48.2Very low163 Ų163148 Ų14887%0.87282%0.816SS**  trans10.6131.9162.7-71.6-47.8000123.1A19D17-A19 PolarHBondContact O-N 3.33Å
18K44.4Very low47.4Very low211 Ų211154.8 Ų154.892%0.91783%0.83SS**  trans-71.2110.3165.1-67169.7-178.61680111.6
19A47.4Very low46.9Very low95 Ų95153.2 Ų153.279%0.78583%0.829SS**  trans-112.4105.6165.600000111.1D17D17-A19 PolarHBondContact O-N 3.33Å
20A50Low46.4Very low90 Ų90152.6 Ų152.674%0.74483%0.825SS**PPolyproline II helixtrans-75.9136.6176.200000111.6K22A20-K22 PolarHBondContact O-N 2.98Å
21P52.6Low46.3Very low128 Ų128154.4 Ų154.483%0.83182%0.824SS**PPolyproline II helixtrans-71.4120.9171.529.1-32.2000109.9L23P21-L23 PolarHBondContact O-N 3.47Å
22K49.2Very low45.5Very low195 Ų195150 Ų15085%0.84881%0.814SS**PPolyproline II helixtrans-64.8127.9177.3-68.4174.7178.5174.30110.3A20 I24A20-K22 PolarHBondContact O-N 2.98Å; K22-I24 PolarHBondContact O-N 3.49Å
23L37.8Very low44.8Very low172 Ų172148 Ų14890%0.90181%0.814SS**PPolyproline II helixtrans-63.8119163.9-72.8172000109P21P21-L23 PolarHBondContact O-N 3.47Å
24I37.7Very low43.6Very low148 Ų148147.3 Ų147.376%0.75982%0.818SS**  trans-90.9100.7166.8-63.6176.8000107.3K22 L26K22-I24 PolarHBondContact O-N 3.49Å; I24-L26 PolarHBondContact O-N 3.27Å
25S35.4Very low42.8Very low107 Ų107148.6 Ų148.675%0.74882%0.818SS**  trans-66.9111.6162.1-64.10000108.4
26L38.9Very low42.4Very low164 Ų164147.9 Ų147.986%0.85982%0.817SS**  trans-88.7105.7167.1-112.3165.6000108.5I24I24-L26 PolarHBondContact O-N 3.27Å
27E41.3Very low41.6Very low174 Ų174147.3 Ų147.381%0.81381%0.813SS**  trans-66.1163.1-180-79.6-175.483.700113.4L29E27-L29 PolarHBondContact O-N 2.73Å
28R34.8Very low41.3Very low249 Ų249143.9 Ų143.994%0.9481%0.807SS**  trans-58.8124.2177.4-64.3171.5174.1128.6-4.5111.1
29L37.7Very low41.5Very low153 Ų153139.7 Ų139.780%0.80180%0.802SS**  trans-103.998.3154.4-94.3159.6000109E27 H31E27-L29 PolarHBondContact O-N 2.73Å; L29-H31 PolarHBondContact O-N 3.12Å
30S37.4Very low41.1Very low109 Ų109141.3 Ų141.376%0.76280%0.802SS**  trans-65.3123172.450.20000111
31H38.7Very low41.2Very low173 Ų173143.1 Ų143.180%0.80181%0.806SS**  trans-123.8139.7159.6-77.185.7000109.6L29L29-H31 PolarHBondContact O-N 3.12Å
32S37.1Very low40.5Very low101 Ų101143.7 Ų143.771%0.70680%0.802SS**  trans-96.9143-157.6-168.30000113
33T35.1Very low39.9Very low129 Ų129141.1 Ų141.179%0.79180%0.797SS**  trans44.2112.2144.453.80000120.2
34A39.5Very low39.7Very low101 Ų101142.2 Ų142.284%0.83579%0.791SS**  -158.3133.4123.200000110.3
35D39.2Very low39.9Very low148 Ų148143.7 Ų143.779%0.79180%0.796SS**  trans-63.3147.8176-74.2-75.7000113.3
36M43.1Very low40Very low174 Ų174146 Ų14686%0.85780%0.795SS**  trans-157.2124.1138.5-94-51.498.500110.7
37P47.8Very low39.9Very low109 Ų109144.4 Ų144.471%0.70879%0.792SS**PPolyproline II helixtrans-83.3155.4177.733.7-34.3000112.6
38A43Very low40Very low91 Ų91141.3 Ų141.375%0.75279%0.787SS**PPolyproline II helixtrans-70.4144.6-17900000113.2T40A38-T40 PolarHBondContact O-N 3.23Å
39P47.9Very low39.8Very low124 Ų124135.4 Ų135.481%0.80578%0.784SS**PPolyproline II helixtrans-80.3117.5176.831.5-33000111.8
40T40Very low39.8Very low128 Ų128133.9 Ų133.979%0.78578%0.781SS**PPolyproline II helixtrans-85.2126.6161.950.20000110.5A38A38-T40 PolarHBondContact O-N 3.23Å
41P51.6Low39.5Very low128 Ų128133 Ų13383%0.83178%0.78SS**PPolyproline II helixtrans-79.6126155.130.9-27.4000109
42N37.5Very low39.3Very low140 Ų140132.1 Ų132.175%0.74978%0.78SS**  trans-96.4175.6179.7-167.33.8000110.1
43L37.5Very low39.1Very low142 Ų142133.2 Ų133.274%0.74378%0.783SS**  trans87.193.8160.8-56.5167.6000119
44Y31.8Very low38.9Very low195 Ų195134.1 Ų134.177%0.76578%0.782SS**  56.2101.5109-134.1-89.8000118.6E46Y44-E46 HydrophobicContact CE1-CG 4.02Å
45M42.5Very low38.9Very low178 Ų178135.1 Ų135.188%0.87778%0.78SS**  trans-139139.7143.4-85.1-63.8-7800108.3
46E37.4Very low38.7Very low155 Ų155135.8 Ų135.872%0.72478%0.778SS**  trans-74.5150.2-166.3-64.4167108.400113.6Y44Y44-E46 HydrophobicContact CE1-CG 4.02Å
47V36.7Very low38.4Very low132 Ų132135.1 Ų135.180%0.878%0.777SS**  trans-108.3112168.1-172.60000108.1S49V47-S49 PolarHBondContact O-N 2.96Å
48P44.6Very low37.9Very low109 Ų109134.2 Ų134.271%0.70878%0.78SS**  trans-71113.2174.3-18.132.2000110.7V50P48-V50 PolarHBondContact O-N 2.73Å
49S30.5Very low37.7Very low124 Ų124135.6 Ų135.687%0.86778%0.781SS**  trans-61.1119.9165.3-70.70000110.1V47V47-S49 PolarHBondContact O-N 2.96Å
50V37.1Very low36.9Very low122 Ų122135 Ų13574%0.73978%0.78SS**  trans-12498.9161.6-173.50000108.2P48 L52P48-V50 PolarHBondContact O-N 2.73Å; V50-L52 HydrophobicContact CG1-CG 4.34Å
51A30.4Very low36.7Very low90 Ų90137.5 Ų137.574%0.74478%0.782SS**  trans-79.1127168.300000109.1
52L34.4Very low35.8Very low155 Ų155139 Ų13981%0.81278%0.784SS**  trans-134.882.4164.3-76.6179.4000110.3V50V50-L52 HydrophobicContact CG1-CG 4.34Å
53T32.9Very low35.8Very low124 Ų124138.9 Ų138.976%0.76179%0.788SS**  40.6108.7126.2-37.40000118.6
54L32.5Very low35.9Very low148 Ų148138.3 Ų138.378%0.77579%0.789SS**  trans-61.3145.3159.1-132.788.7000111.4
55P39.5Very low36.5Very low122 Ų122134.1 Ų134.179%0.79279%0.786SS**  trans-92.8122.6150.2-0.920.6000109.9
56E33.3Very low36.2Very low161 Ų161131.6 Ų131.675%0.75278%0.783SS**  trans-87.3-178.1167.8-163.9167.7116.500110.3
57L38.4Very low36Very low160 Ų160130 Ų13084%0.83879%0.789SS**  trans81.3137.6175.1-45.2175.9000114.9
58A36.8Very low35.7Very low91 Ų91127.3 Ų127.375%0.75279%0.788SS**  cis-161.5169.9-8.500000109
59P38.4Very low35Very low120 Ų120127.3 Ų127.378%0.77979%0.786SS**  trans-98.1-178.5-163.439.3-36.8000115.7
60S31.5Very low34.8Very low112 Ų112130.1 Ų130.178%0.78379%0.785SS**  trans88.1148.2-178.591.90000114.7
61E36.1Very low34.4Very low180 Ų180134.5 Ų134.584%0.84179%0.789SS**  cis-132.3171.911.9-67-176.59800113.8
62N32.4Very low34.2Very low160 Ų160136.6 Ų136.686%0.85678%0.783SS**  trans-65.1124.7175.7-63.7-74.4000113
63V37.8Very low33.9Very low137 Ų137138.3 Ų138.383%0.8378%0.784SS**  trans-135.9115.2156.3-177.90000109.9
64V38.5Very low33.8Very low129 Ų129139.6 Ų139.678%0.78278%0.779SS**PPolyproline II helixtrans-85126.8177.4174.80000110.1
65P44.4Very low33.6Very low108 Ų108140.7 Ų140.770%0.70179%0.785SS**PPolyproline II helixtrans-87.8151.2161.234.1-30.6000111.1
66P36.9Very low33.3Very low124 Ų124140.3 Ų140.381%0.80579%0.785SS**PPolyproline II helixtrans-81.5159.7-161.331.8-37.1000115.5
67S32.8Very low33.2Very low123 Ų123138.2 Ų138.286%0.8679%0.788SS**PPolyproline II helixtrans-52.2145.2172.353.50000115.4
68G30Very low32.9Very low75 Ų75135.6 Ų135.677%0.77378%0.781SS**  trans129.471140.300000118.3
69V30Very low32.6Very low109 Ų109139.4 Ų139.466%0.66179%0.788SS**  trans-139.3111.4140.6-172.20000108.4W71V69-W71 HydrophobicContact CG1-CD2 4.19Å; V69-W71 HydrophobicContact CG1-CH2 4.46Å; V69-W71 HydrophobicContact CG1-CZ2 3.85Å
70Q26.9Very low32.4Very low183 Ų183137.9 Ų137.986%0.85579%0.785SS**  trans-92115.4173.6-157.1-175.98.200108.3E72Q70-E72 PolarHBondContact O-N 3.41Å
71W29Very low32.4Very low214 Ų214140.7 Ų140.781%0.81178%0.784SS**  trans-86.887.9173.7-63102.6000109.5V69 F73V69-W71 HydrophobicContact CG1-CD2 4.19Å; V69-W71 HydrophobicContact CG1-CH2 4.46Å; V69-W71 HydrophobicContact CG1-CZ2 3.85Å; W71-F73 PolarHBondContact O-N 2.69Å; W71-F73 VanDerWaalsContact O-N 3.1Å
72E26.1Very low32Very low133 Ų133143.8 Ų143.862%0.62179%0.788SS**  trans-76.492.8175-163.9-166.9-160.300110Q70 K74Q70-E72 PolarHBondContact O-N 3.41Å; E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CG-CG 4.28Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-K74 IonicContact OE1-NZ 2.63Å; E72-K74 PolarHBondContact OE1-NZ 2.88Å; E72-K74 IonicContact OE2-NZ 2.73Å; E72-K74 PolarHBondContact OE2-NZ 3.33Å
73F28.1Very low32.1Very low191 Ų191142.7 Ų142.784%0.83878%0.777SS**  trans-70.784.6170-96.4-92000110.2W71 L75W71-F73 PolarHBondContact O-N 2.69Å; W71-F73 VanDerWaalsContact O-N 3.1Å; F73-L75 PolarHBondContact O-N 3.38Å
74K31.3Very low32Very low151 Ų151141 Ų14166%0.65777%0.769SS**  trans-71.495.3166.9-81.6-168.2164.880.10110.3E72E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CG-CG 4.28Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-K74 IonicContact OE1-NZ 2.63Å; E72-K74 PolarHBondContact OE1-NZ 2.88Å; E72-K74 IonicContact OE2-NZ 2.73Å; E72-K74 PolarHBondContact OE2-NZ 3.33Å
75L27.8Very low32Very low171 Ų171140.6 Ų140.690%0.89577%0.769SS**  trans-57.2129.7158.1-77.7154.9000109.4F73F73-L75 PolarHBondContact O-N 3.38Å
76S32.4Very low31.5Very low114 Ų114141.5 Ų141.580%0.79777%0.773SS**  trans-140128.4167.6-84.40000109.4
77S32Very low31.6Very low117 Ų117145.4 Ų145.482%0.81878%0.777SS**  trans-57.4156.8-157.7-53.40000118.4
78P31.8Very low31.6Very low105 Ų105145.2 Ų145.268%0.68277%0.771SS**  trans-94.492.2179.236.7-33.3000113.5
79L29.8Very low31.6Very low172 Ų172148.9 Ų148.990%0.90177%0.773SS**  trans-143.889.2167.9-77.8-179.1000113
80A35.4Very low31.7Very low88 Ų88153.3 Ų153.373%0.72778%0.783SS**  trans-16382.7161.700000111.9W82A80-W82 PolarHBondContact O-N 3.26Å
81F30.2Very low32Very low170 Ų170153 Ų15375%0.74678%0.781SS**  1998.6121.7-166.5-109.1000116.6E83F81-E83 HydrophobicContact CD1-CG 4.24Å; F81-E83 HydrophobicContact CE1-CB 4.18Å; F81-E83 HydrophobicContact CE1-CG 3.46Å; F81-E83 VanDerWaalsContact CE1-CG 3.46Å; F81-E83 HydrophobicContact CZ-CG 3.66Å; F81-E83 WeakPolarHBondContact CZ-OE1 3.29Å; F81-E83 PolarHBondContact O-N 3.49Å
82W28.4Very low32.2Very low246 Ų246151.4 Ų151.493%0.93278%0.783SS**  trans-96.188.7177.5-159.5-62.9000111.2A80A80-W82 PolarHBondContact O-N 3.26Å
83E35.2Very low32.5Very low136 Ų136150.9 Ų150.964%0.63679%0.794SS**  trans-83.5143.4165.5-92.7-175.6167.900111.6F81F81-E83 HydrophobicContact CD1-CG 4.24Å; F81-E83 HydrophobicContact CE1-CB 4.18Å; F81-E83 HydrophobicContact CE1-CG 3.46Å; F81-E83 VanDerWaalsContact CE1-CG 3.46Å; F81-E83 HydrophobicContact CZ-CG 3.66Å; F81-E83 WeakPolarHBondContact CZ-OE1 3.29Å; F81-E83 PolarHBondContact O-N 3.49Å
84P36Very low32.8Very low102 Ų102146 Ų14666%0.66279%0.789SS**  trans-78.2141.6175.232.5-33.4000111V86P84-V86 PolarHBondContact O-N 3.14Å; P84-V86 VanDerWaalsContact O-N 3.09Å
85P38.1Very low33Very low120 Ų120146.5 Ų146.578%0.77979%0.794SS**  trans-76.6104.2-171.329.7-35.1000112.7
86V33.4Very low33.5Very low128 Ų128145.5 Ų145.578%0.77679%0.785SS**  trans-87.2111.5163.6178.20000108.8P84 V88P84-V86 PolarHBondContact O-N 3.14Å; P84-V86 VanDerWaalsContact O-N 3.09Å; V86-V88 HydrophobicContact CG1-CG2 4.02Å
87K38.3Very low33.5Very low205 Ų205147.9 Ų147.989%0.89179%0.787SS**  trans-96.1116.2172-73.7-174.9176.3-178.60110.3
88V34Very low33.5Very low120 Ų120146.3 Ų146.373%0.72779%0.79SS**  trans-119.3124172.7170.10000110.4V86V86-V88 HydrophobicContact CG1-CG2 4.02Å
89N28.5Very low33.3Very low152 Ų152150.9 Ų150.981%0.81380%0.799SS**  trans13.4130.8159.2-71.8-16.5000121.4
90K32.6Very low33.3Very low201 Ų201148.2 Ų148.287%0.87479%0.794SS**  -167.3160.4106.9-109.5172.7-179.8177.20113.9
91Q34.8Very low32.8Very low177 Ų177152.2 Ų152.283%0.82780%0.797SS**  trans93.190.1178.5-59.8179.3-47.700114.4
92Q33Very low33Very low180 Ų180149.4 Ų149.484%0.84180%0.799SS**  71.794.477.2-75-176.3-43.800114.8
93S32Very low33.2Very low122 Ų122143 Ų14385%0.85379%0.792SS**  177.8156.1105.2-73.30000111.7
94A34.6Very low33.1Very low89 Ų89144.3 Ų144.374%0.73680%0.803SS**  trans-0.7139.3164.600000118.7
95E35.9Very low32.8Very low161 Ų161148.1 Ų148.175%0.75281%0.812SS**  cis-171.5179.99.3-122.3179.5104.800108
96Q36.4Very low32.7Very low151 Ų151150.2 Ų150.271%0.70681%0.813SS**  cis-144.7164.62.6-163174.392.600111
97L32.9Very low32.8Very low163 Ų163150.9 Ų150.985%0.85381%0.812SS**  trans-22.5141.3166.4-56167.3000119.9
98G32.6Very low32.3Very low85 Ų85150.7 Ų150.788%0.87681%0.807SS**  trans171.679.5164.900000115.2
99F26.6Very low32.4Very low200 Ų200152.9 Ų152.988%0.87782%0.815SS**  trans-96.2133.8-174.2-170.3-86.1000112.4
100C29.6Very low32.5Very low117 Ų117150.3 Ų150.379%0.79181%0.809SS**  trans-169.6133.4146.6-166.90000111.9
101E26.3Very low32.6Very low171 Ų171144.4 Ų144.480%0.79981%0.805SS**  trans-126130.9172180176.5-147.700106.9
102S34.6Very low32.6Very low112 Ų112140.8 Ų140.878%0.78380%0.799SS**  trans-160.5129170.2-83.20000113
103S31.9Very low32.7Very low111 Ų111139 Ų13978%0.77680%0.795SS**  trans-64.2156.5169.7-46.80000112.4
104N33.9Very low32.9Very low164 Ų164142.2 Ų142.288%0.87780%0.797SS**  trans-152.4103.1153.5-102.7-25000110.2
105E28.4Very low32.9Very low181 Ų181144 Ų14485%0.84680%0.804SS**  trans-73.3150.7141.5-63.4-172.6103.200107.8
106M35.6Very low32.7Very low164 Ų164142.8 Ų142.881%0.80881%0.811SS**  trans169.2138.3136.5-89.2-102-92.700113.6
107L35.6Very low32.7Very low142 Ų142140.6 Ų140.674%0.74381%0.813SS**  trans73.3100.5147.7-63.2164.9000120.8
108Y29.2Very low32.8Very low201 Ų201137 Ų13779%0.78880%0.802SS**  2.7133.1121-118-102.4000117
109N35Very low32.9Very low167 Ų167142.1 Ų142.189%0.89380%0.8SS**  trans-148.6125.2139-140.99.1000111
110S30.9Very low33.5Very low98 Ų98137.8 Ų137.869%0.68580%0.795SS**  trans-95.8138.1170.3-60.60000108.8
111G35.9Very low33.9Very low77 Ų77136.4 Ų136.479%0.79479%0.792SS**  trans-145.6102.517600000110.1
112S33.3Very low34.4Very low100 Ų100136.3 Ų136.370%0.69979%0.791SS**  trans-73.2171.6156.660.70000108.4
113D34.7Very low34.4Very low142 Ų142141.4 Ų141.476%0.75979%0.793SS**  cis-153.7-170.424.5-96.7-63.4000110
114E36.8Very low34.6Very low191 Ų191143.5 Ų143.589%0.89380%0.796SS**  trans107.3131.5145.8-54-143.6115.400118.8
115S35.1Very low34.8Very low125 Ų125141.8 Ų141.887%0.87479%0.794SS**  trans-107.1152.4-167.6-56.30000110.7
116C32.5Very low35Very low136 Ų136136.8 Ų136.892%0.91979%0.79SS**  trans-136.9135.7154.1-164.70000110
117S34.7Very low35Very low105 Ų105134.4 Ų134.473%0.73480%0.797SS**  trans-121.9160-164.3560000112.4
118S36.3Very low35Very low89 Ų89132.5 Ų132.562%0.62280%0.802SS**  trans70115.2160.7-176.50000119
119F34.9Very low35.3Very low192 Ų192127.6 Ų127.684%0.84279%0.789SS**  -175.2106.2112.7-99.6-78.4000106.4
120S39.4Very low35.6Very low109 Ų109125 Ų12576%0.76278%0.784SS**  49.2128.396.5-67.60000114.4
121A37.5Very low36.3Very low88 Ų88125.4 Ų125.473%0.72779%0.787SS**  cis-161.817912.700000114.2
122Q37Very low36.6Very low168 Ų168128 Ų12879%0.78578%0.782SS**  trans87.595.9155.8-87.3161-106.700122.4
123R34.4Very low37Very low219 Ų219130.4 Ų130.483%0.82678%0.776SS**  48109.3127.8-52.8-179.5-158-158.45.8119.3
124D36.4Very low37.5Very low156 Ų156131.3 Ų131.383%0.83478%0.78SS**  -168.2154.893.9-98.4-27.6000111.6
125P37.9Very low38Very low128 Ų128129 Ų12983%0.83177%0.773SS**  trans-99.4112.4-175.435.2-29000113.1
126G32.4Very low38.7Very low75 Ų75126.9 Ų126.977%0.77375%0.749SS**  trans172142.3168.600000114.7
127A35.1Very low39.4Very low114 Ų114126.2 Ų126.294%0.94274%0.737SS**  trans67.764.8169.100000118.3
128A36.7Very low40.2Very low103 Ų103126.9 Ų126.985%0.85173%0.731SS**  trans-142.5145.4146.300000107.1
129D34.2Very low40.6Very low98 Ų98127.6 Ų127.652%0.52473%0.728SS.*  cis-144.9129.23167.119.9000107.9S131D129-S131 PolarHBondContact OD1-N 3.08Å
130S41Very low41.2Very low112 Ų112125.2 Ų125.278%0.78372%0.72SS**  trans-119.910.1177.8-66.20000112.8
131S46.2Very low41.6Very low107 Ų107125 Ų12575%0.74871%0.71SS**SBendtrans-98-1.4-167.7-161.20000115D129D129-S131 PolarHBondContact OD1-N 3.08Å
132L43Very low42.1Very low131 Ų131127.1 Ų127.169%0.68670%0.699SS**SBendtrans-109.62.8-178.4-64178.5000114.8L134L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.87Å
133R40.8Very low42.1Very low151 Ų151124.2 Ų124.257%0.5770%0.697SS**THydrogen-bonded Turntrans-86.219.9-168.7-45.6-161.878.4156.112.2115.9E136R133-E136 WeakPolarHBondContact CB-OE2 3.4Å; R133-E136 WeakPolarHBondContact CG-OE2 3.31Å; R133-E136 IonicContact CZ-OE2 2.73Å; R133-E136 VanDerWaalsContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 2.92Å; R133-E136 PolarHBondContact NE-OE2 3.27Å; R133-E136 IonicContact NH2-OE1 3.22Å; R133-E136 PolarHBondContact NH2-OE1 3.23Å; R133-E136 IonicContact NH2-OE2 2.69Å; R133-E136 PolarHBondContact NH2-OE2 2.97Å
134L46.2Very low42.3Very low161 Ų161118.7 Ų118.784%0.84369%0.692SS**THydrogen-bonded Turntrans-89-25.1177.8-76.5175.3000113.7L132L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.87Å
135D46.5Very low42.2Very low141 Ų141114.4 Ų114.475%0.75468%0.684SS**SBendtrans-84.3-24.9174-69.4-61.7000113N137 L138D135-N137 PolarHBondContact O-N 2.86Å; D135-L138 PolarHBondContact O-N 3.21Å
136E49.9Very low42.2Very low81 Ų81116.9 Ų116.938%0.37969%0.691SS.*Hα-helixtrans-60.3-30.6177.4-69.2-171.811900112.9R133 L138 N139 E140R133-E136 WeakPolarHBondContact CB-OE2 3.4Å; R133-E136 WeakPolarHBondContact CG-OE2 3.31Å; R133-E136 IonicContact CZ-OE2 2.73Å; R133-E136 VanDerWaalsContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 2.92Å; R133-E136 PolarHBondContact NE-OE2 3.27Å; R133-E136 IonicContact NH2-OE1 3.22Å; R133-E136 PolarHBondContact NH2-OE1 3.23Å; R133-E136 IonicContact NH2-OE2 2.69Å; R133-E136 PolarHBondContact NH2-OE2 2.97Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-L138 VanDerWaalsContact O-N 3.11Å; E136-N139 PolarHBondContact O-N 3.38Å; E136-E140 PolarHBondContact O-N 3.14Å
137N46.1Very low43.2Very low122 Ų122116.7 Ų116.765%0.65269%0.688SS**Hα-helixtrans-68.3-10.8-177.6-125.3-76.3000114.2D135D135-N137 PolarHBondContact O-N 2.86Å
138L52.8Low44.4Very low119 Ų119114.4 Ų114.462%0.62366%0.663SS**Hα-helixtrans-89.6-21.3170.6-146.986.4000112.6D135 E136 I151D135-L138 PolarHBondContact O-N 3.21Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-L138 VanDerWaalsContact O-N 3.11Å; L138-I151 HydrophobicContact CD2-CD1 4.04Å
139N44.8Very low45.9Very low104 Ų104111.6 Ų111.656%0.55664%0.635SS**Hα-helixtrans-99.3-30.5-178-94-5.9000113.2E136 L141 R142E136-N139 PolarHBondContact O-N 3.38Å; N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 VanDerWaalsContact O-N 3.14Å; N139-R142 VanDerWaalsContact O-CB 3.31Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.31Å; N139-R142 WeakPolarHBondContact OD1-CD 3.35Å; N139-R142 PolarHBondContact OD1-NE 3.15Å
140E47Very low48.2Very low142 Ų142108.7 Ų108.766%0.66463%0.625SS**G310 helixtrans-64.6-17.3177.6-81.8-173.3121.200113.9E136 R142E136-E140 PolarHBondContact O-N 3.14Å; E140-R142 VanDerWaalsContact C-N 3.33Å
141L48.2Very low50.4Low105 Ų105106.1 Ų106.155%0.5560%0.602SS.*G310 helixtrans-85.21.8172.7-140.977.9000114.1N139 T148 F205N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 VanDerWaalsContact O-N 3.14Å; L141-T148 HydrophobicContact CD2-CG2 4.26Å; L141-T148 HydrophobicContact CG-CG2 4.27Å; L141-F205 HydrophobicContact CD2-CE1 4.22Å
142R46.7Very low52.4Low133 Ų133106.2 Ų106.250%0.50259%0.591SS.*G310 helixtrans-84.6-6.1-178.1-73-174.2170.7-105.71115.4N139 E140 E152N139-R142 VanDerWaalsContact O-CB 3.31Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.31Å; N139-R142 WeakPolarHBondContact OD1-CD 3.35Å; N139-R142 PolarHBondContact OD1-NE 3.15Å; E140-R142 VanDerWaalsContact C-N 3.33Å; R142-E152 IonicContact CZ-OE1 3.2Å; R142-E152 IonicContact NH1-OE1 2.73Å; R142-E152 PolarHBondContact NH1-OE1 3.07Å; R142-E152 IonicContact NH2-OE1 3.65Å; R142-E152 PolarHBondContact NH2-OE1 3.49Å
143S37.6Very low54.7Low106 Ų106104.7 Ų104.774%0.74158%0.58SS**SBendtrans-133.937-166.7-65.90000116.3
144S37.9Very low57.2Low103 Ų10397.7 Ų97.772%0.7255%0.554SS**SBendtrans-152.3102.8165.7-86.60000115.4
145G35.5Very low59.4Low66 Ų6693.1 Ų93.168%0.6853%0.528SS*.  trans61.3101.8136.400000120.1G147G145-G147 PolarHBondContact O-N 2.92Å
146N38.5Very low61.7Low181 Ų18190 Ų9097%0.96852%0.517SS*.SBendtrans62.529.1144.1-62.96.6000119.5
147G53.1Low63.8Low70 Ų7086.7 Ų86.772%0.72250%0.502SS*.  trans-169.1-6.5169.700000117.9G145 V149G145-G147 PolarHBondContact O-N 2.92Å; G147-V149 PolarHBondContact O-N 3.13Å
148T59.3Low66.2Low67 Ų6781 Ų8141%0.41147%0.471SS..  trans-89.497-177.8510000110.8L141 A150L141-T148 HydrophobicContact CD2-CG2 4.26Å; L141-T148 HydrophobicContact CG-CG2 4.27Å; T148-A150 PolarHBondContact O-N 3.38Å; T148-A150 VanDerWaalsContact O-N 3.08Å
149V68.5Low68.1Low43 Ų4382.7 Ų82.726%0.26147%0.469SS..  trans-49.3116.7166.2173.80000108.2G147 E153 L154 F205 K212G147-V149 PolarHBondContact O-N 3.13Å; V149-E153 HydrophobicContact CG1-CB 4.24Å; V149-L154 HydrophobicContact CG1-CB 4.36Å; V149-F205 VanDerWaalsContact O-CZ 3.24Å; V149-F205 WeakPolarHBondContact O-CZ 3.19Å; V149-K212 HydrophobicContact CG1-CD 4.19Å
150A81.8Confident70.5Confident38 Ų3882.9 Ų82.931%0.31446%0.463SS..  trans-63.1147.5-176.100000110.5T148 E152 E153 L154T148-A150 PolarHBondContact O-N 3.38Å; T148-A150 VanDerWaalsContact O-N 3.08Å; A150-E152 PolarHBondContact O-N 3.22Å; A150-E153 HydrophobicContact CB-CB 4.37Å; A150-E153 HydrophobicContact CB-CG 4.02Å; A150-E153 PolarHBondContact N-OE2 2.95Å; A150-E153 WeakPolarHBondContact O-CB 3.45Å; A150-E153 PolarHBondContact O-N 2.97Å; A150-E153 VanDerWaalsContact O-N 3.12Å; A150-L154 PolarHBondContact O-N 3.11Å; A150-L154 VanDerWaalsContact O-N 3.13Å
151I87.1Confident72.8Confident58 Ų5876.1 Ų76.130%0.29743%0.432SS..Hα-helixtrans-57.3-37.8177-167.2169.1000111L138 L154 E155 F205L138-I151 HydrophobicContact CD2-CD1 4.04Å; I151-L154 WeakPolarHBondContact O-CB 3.45Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.14Å; I151-E155 WeakPolarHBondContact O-CG 3.35Å; I151-E155 PolarHBondContact O-N 3.01Å; I151-F205 HydrophobicContact CB-CE2 4.42Å
152E88.7Confident74.9Confident109 Ų10975.8 Ų75.851%0.50943%0.426SS..Hα-helixtrans-63-42.4175.7-68.4161.6-143.900113.1R142 A150 L154 E155 S156R142-E152 IonicContact CZ-OE1 3.2Å; R142-E152 IonicContact NH1-OE1 2.73Å; R142-E152 PolarHBondContact NH1-OE1 3.07Å; R142-E152 IonicContact NH2-OE1 3.65Å; R142-E152 PolarHBondContact NH2-OE1 3.49Å; A150-E152 PolarHBondContact O-N 3.22Å; E152-L154 PolarHBondContact O-N 3.13Å; E152-E155 PolarHBondContact O-N 3.29Å; E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.04Å
153E91.8Very high77.1Confident98 Ų9875.2 Ų75.246%0.45843%0.427SS..Hα-helixtrans-63.2-29.7173.4-72172.5-16200112.6V149 A150 F157V149-E153 HydrophobicContact CG1-CB 4.24Å; A150-E153 HydrophobicContact CB-CB 4.37Å; A150-E153 HydrophobicContact CB-CG 4.02Å; A150-E153 PolarHBondContact N-OE2 2.95Å; A150-E153 WeakPolarHBondContact O-CB 3.45Å; A150-E153 PolarHBondContact O-N 2.97Å; A150-E153 VanDerWaalsContact O-N 3.12Å; E153-F157 WeakPolarHBondContact O-CB 3.19Å; E153-F157 PolarHBondContact O-N 3.46Å
154L92.9Very high79.5Confident5 Ų570.6 Ų70.63%0.02639%0.394CS..Hα-helixtrans-80.3-38.7-178.8-168.360.5000111.1V149 A150 I151 E152 A158 F205 M208 K212V149-L154 HydrophobicContact CG1-CB 4.36Å; A150-L154 PolarHBondContact O-N 3.11Å; A150-L154 VanDerWaalsContact O-N 3.13Å; I151-L154 WeakPolarHBondContact O-CB 3.45Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.14Å; E152-L154 PolarHBondContact O-N 3.13Å; L154-A158 WeakPolarHBondContact O-CB 3.24Å; L154-A158 PolarHBondContact O-N 3.26Å; L154-F205 HydrophobicContact CD2-CD2 3.87Å; L154-F205 HydrophobicContact CD2-CE2 4.07Å; L154-M208 HydrophobicContact CD1-CB 4Å; L154-M208 HydrophobicContact CD1-CE 4.3Å; L154-M208 HydrophobicContact CD2-CB 3.29Å; L154-M208 HydrophobicContact CD2-CE 4.48Å; L154-M208 HydrophobicContact CD2-CG 4.1Å; L154-M208 HydrophobicContact CG-CB 3.97Å; L154-M208 HydrophobicContact CG-CE 4.12Å; L154-K212 HydrophobicContact CD1-CB 4.06Å; L154-K212 HydrophobicContact CD1-CD 4.04Å
155E93.3Very high82.1Confident64 Ų6466.7 Ų66.730%0.29936%0.364SS..Hα-helixtrans-64-47.3169-60-157.3163.900112I151 E152 F157 A158 R159 L201I151-E155 WeakPolarHBondContact O-CG 3.35Å; I151-E155 PolarHBondContact O-N 3.01Å; E152-E155 PolarHBondContact O-N 3.29Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.69Å; E155-A158 PolarHBondContact O-N 3.22Å; E155-R159 WeakPolarHBondContact O-CB 3.37Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 2.95Å; E155-R159 IonicContact OE2-CZ 2.88Å; E155-R159 IonicContact OE2-NH1 3.55Å; E155-R159 PolarHBondContact OE2-NH1 3.33Å; E155-R159 IonicContact OE2-NH2 3.82Å; E155-R159 PolarHBondContact OE2-NH2 2.95Å; E155-L201 HydrophobicContact CB-CD1 4.24Å; E155-L201 HydrophobicContact CG-CD1 3.74Å
156S93.5Very high84.6Confident76 Ų7668 Ų6853%0.53135%0.354SS..Hα-helixtrans-52.3-53.3174.8171.50000110.4E152 A158 R159 Y160E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.04Å; S156-A158 PolarHBondContact O-N 3.37Å; S156-R159 PolarHBondContact O-N 3.46Å; S156-Y160 WeakPolarHBondContact O-CB 3.21Å; S156-Y160 PolarHBondContact O-N 3Å
157F95.6Very high86.8Confident12 Ų1267.6 Ų67.65%0.05334%0.339CS..Hα-helixtrans-62.3-44178.7179.5-90.6000112.7E153 E155 R159 Y160 F161 F198 K212 L215 E216E153-F157 WeakPolarHBondContact O-CB 3.19Å; E153-F157 PolarHBondContact O-N 3.46Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.69Å; F157-R159 PolarHBondContact O-N 3.48Å; F157-Y160 PolarHBondContact O-N 2.95Å; F157-F161 HydrophobicContact CE1-CB 4.12Å; F157-F161 HydrophobicContact CZ-CB 4.27Å; F157-F161 HydrophobicContact CZ-CD2 4.4Å; F157-F161 WeakPolarHBondContact O-CB 3.43Å; F157-F161 PolarHBondContact O-N 3.08Å; F157-F198 AromaticContact CD1-CE1 3.81Å; F157-F198 HydrophobicContact CD1-CE1 3.81Å; F157-F198 AromaticContact CD1-CZ 3.62Å; F157-F198 HydrophobicContact CD1-CZ 3.62Å; F157-F198 AromaticContact CE1-CE1 3.66Å; F157-F198 HydrophobicContact CE1-CE1 3.66Å; F157-F198 AromaticContact CE1-CZ 3.59Å; F157-F198 HydrophobicContact CE1-CZ 3.59Å; F157-K212 HydrophobicContact CB-CD 4.21Å; F157-K212 HydrophobicContact CD1-CB 4.41Å; F157-K212 HydrophobicContact CD1-CD 4.28Å; F157-K212 HydrophobicContact CD1-CG 3.87Å; F157-K212 HydrophobicContact CD2-CG 4.35Å; F157-K212 HydrophobicContact CE1-CB 4.49Å; F157-K212 HydrophobicContact CE1-CG 4.1Å; F157-K212 HydrophobicContact CG-CD 4.06Å; F157-K212 HydrophobicContact CG-CG 4.01Å; F157-K212 HydrophobicContact CZ-CG 4.46Å; F157-L215 HydrophobicContact CE1-CB 4.08Å; F157-L215 HydrophobicContact CZ-CB 4.09Å; F157-E216 HydrophobicContact CE2-CB 3.58Å; F157-E216 HydrophobicContact CE2-CG 3.75Å; F157-E216 HydrophobicContact CZ-CB 3.7Å; F157-E216 HydrophobicContact CZ-CG 4.39Å
158A95.5Very high88Confident1 Ų165.1 Ų65.11%0.00831%0.309CS..Hα-helixtrans-63.9-40.1179.400000112.5L154 E155 S156 K162 F198 L201 M208L154-A158 WeakPolarHBondContact O-CB 3.24Å; L154-A158 PolarHBondContact O-N 3.26Å; E155-A158 PolarHBondContact O-N 3.22Å; S156-A158 PolarHBondContact O-N 3.37Å; A158-K162 WeakPolarHBondContact O-CB 3.36Å; A158-K162 PolarHBondContact O-N 3.32Å; A158-K162 VanDerWaalsContact O-N 3.08Å; A158-F198 HydrophobicContact CB-CE1 4.14Å; A158-L201 HydrophobicContact CB-CD2 3.58Å; A158-M208 HydrophobicContact CB-CE 4.5Å
159R94Very high87.8Confident155 Ų15564.9 Ų64.959%0.58532%0.32SS*.Hα-helixtrans-66.1-44174.1-69.5175.8-174.4124.710.4111.4E155 S156 F157 K163E155-R159 WeakPolarHBondContact O-CB 3.37Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 2.95Å; E155-R159 IonicContact OE2-CZ 2.88Å; E155-R159 IonicContact OE2-NH1 3.55Å; E155-R159 PolarHBondContact OE2-NH1 3.33Å; E155-R159 IonicContact OE2-NH2 3.82Å; E155-R159 PolarHBondContact OE2-NH2 2.95Å; S156-R159 PolarHBondContact O-N 3.46Å; F157-R159 PolarHBondContact O-N 3.48Å; R159-K163 VanDerWaalsContact O-CB 3.31Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.28Å
160Y94Very high87.3Confident109 Ų10972.8 Ų72.843%0.42735%0.35SS..Hα-helixtrans-62.2-53.2176.5176.2-113.6000111.5S156 F157 K162 K163 T164 L219 E223S156-Y160 WeakPolarHBondContact O-CB 3.21Å; S156-Y160 PolarHBondContact O-N 3Å; F157-Y160 PolarHBondContact O-N 2.95Å; Y160-K162 VanDerWaalsContact C-N 3.34Å; Y160-K162 PolarHBondContact O-N 2.8Å; Y160-K163 WeakPolarHBondContact O-CB 3.34Å; Y160-K163 PolarHBondContact O-N 3.03Å; Y160-K163 VanDerWaalsContact O-N 3.08Å; Y160-T164 WeakPolarHBondContact CE2-OG1 3.45Å; Y160-T164 PolarHBondContact O-N 2.8Å; Y160-T164 PolarHBondContact O-OG1 2.9Å; Y160-L219 HydrophobicContact CD1-CD2 3.75Å; Y160-L219 HydrophobicContact CE1-CD2 3.44Å; Y160-L219 VanDerWaalsContact CE1-CD2 3.44Å; Y160-E223 PolarHBondContact OH-OE1 2.88Å
161F94.6Very high86.3Confident0 Ų073.5 Ų73.50%035%0.351CS..Hα-helixtrans-52.1-48.6176.5171.5-89.7000112.2F157 K163 T164 R165 V178 I195 F198 E199 L215 W218 L219F157-F161 HydrophobicContact CE1-CB 4.12Å; F157-F161 HydrophobicContact CZ-CB 4.27Å; F157-F161 HydrophobicContact CZ-CD2 4.4Å; F157-F161 WeakPolarHBondContact O-CB 3.43Å; F157-F161 PolarHBondContact O-N 3.08Å; F161-K163 PolarHBondContact O-N 2.84Å; F161-T164 PolarHBondContact O-N 3.43Å; F161-R165 VanDerWaalsContact O-CB 3.28Å; F161-R165 WeakPolarHBondContact O-CB 3.46Å; F161-R165 PolarHBondContact O-N 3Å; F161-V178 HydrophobicContact CZ-CG1 4.13Å; F161-I195 HydrophobicContact CE1-CG2 3.95Å; F161-I195 HydrophobicContact CZ-CG2 4.25Å; F161-F198 HydrophobicContact CD1-CD1 4.44Å; F161-E199 HydrophobicContact CD1-CG 4.09Å; F161-E199 HydrophobicContact CE1-CG 4.08Å; F161-L215 HydrophobicContact CD2-CB 4.06Å; F161-L215 HydrophobicContact CE2-CB 3.87Å; F161-L215 HydrophobicContact CE2-CD2 3.85Å; F161-L215 HydrophobicContact CE2-CG 4.31Å; F161-L215 HydrophobicContact CZ-CD2 3.85Å; F161-W218 AromaticContact CE2-CE3 3.74Å; F161-W218 HydrophobicContact CE2-CE3 3.74Å; F161-W218 AromaticContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CZ-CE3 4.49Å; F161-W218 HydrophobicContact CZ-CZ3 4.3Å; F161-L219 HydrophobicContact CD2-CD1 4.21Å; F161-L219 HydrophobicContact CD2-CD2 4.44Å
162K93.8Very high85.8Confident97 Ų9774.8 Ų74.842%0.42237%0.365SS..Hα-helixtrans-60.8-45.9176.9-177.5-179.9-175.1-1800111.8A158 Y160 I166 E199A158-K162 WeakPolarHBondContact O-CB 3.36Å; A158-K162 PolarHBondContact O-N 3.32Å; A158-K162 VanDerWaalsContact O-N 3.08Å; Y160-K162 VanDerWaalsContact C-N 3.34Å; Y160-K162 PolarHBondContact O-N 2.8Å; K162-I166 HydrophobicContact CG-CD1 3.98Å; K162-I166 WeakPolarHBondContact O-CD1 3.47Å; K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.27Å; K162-I166 PolarHBondContact O-N 3.31Å; K162-E199 HydrophobicContact CB-CG 4.09Å; K162-E199 HydrophobicContact CD-CB 4.3Å; K162-E199 HydrophobicContact CG-CG 4.34Å
163K91.4Very high85.6Confident121 Ų12170 Ų7053%0.52634%0.343SS..Hα-helixtrans-63.3-44.6179.7-177177.3-178.6177.10111.4R159 Y160 F161 R167R159-K163 VanDerWaalsContact O-CB 3.31Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.28Å; Y160-K163 WeakPolarHBondContact O-CB 3.34Å; Y160-K163 PolarHBondContact O-N 3.03Å; Y160-K163 VanDerWaalsContact O-N 3.08Å; F161-K163 PolarHBondContact O-N 2.84Å; K163-R167 WeakPolarHBondContact O-CB 3.37Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.11Å
164T89.7Confident85.6Confident10 Ų1068.8 Ų68.86%0.06134%0.342CS..Hα-helixtrans-66.7-52.1177.4-62.30000110.6Y160 F161 I166 R167 L168 L219 E223Y160-T164 WeakPolarHBondContact CE2-OG1 3.45Å; Y160-T164 PolarHBondContact O-N 2.8Å; Y160-T164 PolarHBondContact O-OG1 2.9Å; F161-T164 PolarHBondContact O-N 3.43Å; T164-I166 PolarHBondContact O-N 3.08Å; T164-I166 VanDerWaalsContact O-N 3.08Å; T164-R167 CarbonylContact O-C 3.09Å; T164-R167 WeakPolarHBondContact O-CA 3.46Å; T164-R167 PolarHBondContact O-N 3.49Å; T164-L168 HydrophobicContact CG2-CD1 4.07Å; T164-L168 HydrophobicContact CG2-CD2 3.79Å; T164-L168 HydrophobicContact CG2-CG 3.84Å; T164-L168 VanDerWaalsContact O-CG 3.31Å; T164-L168 WeakPolarHBondContact O-CG 3.4Å; T164-L168 PolarHBondContact O-N 2.86Å; T164-L219 HydrophobicContact CG2-CD1 3.53Å; T164-L219 HydrophobicContact CG2-CD2 4.38Å; T164-L219 HydrophobicContact CG2-CG 4.05Å; T164-E223 HydrophobicContact CG2-CG 4.46Å; T164-E223 WeakPolarHBondContact CG2-OE1 3.47Å
165R91.3Very high85.5Confident21 Ų2170.3 Ų70.38%0.07935%0.349CS..Hα-helixtrans-47-44.1176.9-177.8-175.760.284.8-7113.3F161 F173 V178 E199F161-R165 VanDerWaalsContact O-CB 3.28Å; F161-R165 WeakPolarHBondContact O-CB 3.46Å; F161-R165 PolarHBondContact O-N 3Å; R165-F173 HydrophobicContact CG-CB 3.75Å; R165-F173 WeakPolarHBondContact CG-O 3.33Å; R165-F173 PolarHBondContact NH1-O 2.82Å; R165-F173 PolarHBondContact O-N 3.23Å; R165-V178 VanDerWaalsContact CD-CG2 3.42Å; R165-V178 HydrophobicContact CG-CG2 3.74Å; R165-E199 IonicContact CZ-OE1 2.84Å; R165-E199 IonicContact CZ-OE2 2.64Å; R165-E199 IonicContact NE-OE1 3.4Å; R165-E199 PolarHBondContact NE-OE1 2.8Å; R165-E199 IonicContact NE-OE2 3.31Å; R165-E199 VanDerWaalsContact NH2-CD 3.25Å; R165-E199 IonicContact NH2-OE1 3.58Å; R165-E199 PolarHBondContact NH2-OE1 3.42Å; R165-E199 IonicContact NH2-OE2 2.76Å; R165-E199 PolarHBondContact NH2-OE2 3.43Å
166I88.2Confident85.3Confident94 Ų9468.4 Ų68.448%0.48235%0.347SS..Hα-helixtrans-74.1-31.7179.4-64.7167.7000111.8K162 T164K162-I166 HydrophobicContact CG-CD1 3.98Å; K162-I166 WeakPolarHBondContact O-CD1 3.47Å; K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.27Å; K162-I166 PolarHBondContact O-N 3.31Å; T164-I166 PolarHBondContact O-N 3.08Å; T164-I166 VanDerWaalsContact O-N 3.08Å
167R85Confident85.1Confident172 Ų17268 Ų6865%0.64934%0.339SS*.Hα-helixtrans-85.1-28-175.2174.4-179.6-72.4-165.4-13.4114.9K163 T164 G169K163-R167 WeakPolarHBondContact O-CB 3.37Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.11Å; T164-R167 CarbonylContact O-C 3.09Å; T164-R167 WeakPolarHBondContact O-CA 3.46Å; T164-R167 PolarHBondContact O-N 3.49Å; R167-G169 WeakPolarHBondContact O-CA 3.31Å; R167-G169 PolarHBondContact O-N 3.08Å
168L77.3Confident84.9Confident18 Ų1867.5 Ų67.59%0.09434%0.336CS..SBendtrans-52.1113.3-173.5-70.2162.2000110.1T164 K170 F173 W218 T222 E223 L226T164-L168 HydrophobicContact CG2-CD1 4.07Å; T164-L168 HydrophobicContact CG2-CD2 3.79Å; T164-L168 HydrophobicContact CG2-CG 3.84Å; T164-L168 VanDerWaalsContact O-CG 3.31Å; T164-L168 WeakPolarHBondContact O-CG 3.4Å; T164-L168 PolarHBondContact O-N 2.86Å; L168-K170 PolarHBondContact O-N 3.11Å; L168-F173 HydrophobicContact CB-CD2 3.9Å; L168-F173 HydrophobicContact CB-CE2 3.73Å; L168-F173 HydrophobicContact CD1-CD2 3.78Å; L168-F173 HydrophobicContact CD1-CE2 3.67Å; L168-F173 HydrophobicContact CG-CD2 4.49Å; L168-F173 HydrophobicContact CG-CE2 4.33Å; L168-W218 HydrophobicContact CD1-CH2 4.27Å; L168-T222 HydrophobicContact CD1-CG2 3.87Å; L168-E223 HydrophobicContact CD2-CG 4.07Å; L168-L226 HydrophobicContact CB-CD1 3.88Å; L168-L226 HydrophobicContact CD2-CD1 3.36Å; L168-L226 HydrophobicContact CG-CD1 4.09Å
169G55.3Low84.5Confident61 Ų6167.5 Ų67.563%0.62934%0.336SS*.THydrogen-bonded Turntrans-93.491.8-145.700000114.9R167R167-G169 WeakPolarHBondContact O-CA 3.31Å; R167-G169 PolarHBondContact O-N 3.08Å
170K57.9Low84.2Confident209 Ų20963.2 Ų63.291%0.90933%0.329SS*.THydrogen-bonded Turntrans177.3-30154-103.7169.5-175.7-179.40109.6L168L168-K170 PolarHBondContact O-N 3.11Å
171T62.2Low83.9Confident54 Ų5458.1 Ų58.133%0.33131%0.31SS..SBendtrans-143.7113.2174.260.80000108F173 K234T171-F173 PolarHBondContact O-N 3.28Å; T171-F173 VanDerWaalsContact O-N 3.17Å; T171-K234 HydrophobicContact CG2-CD 3.88Å; T171-K234 VanDerWaalsContact CG2-NZ 3.34Å
172S76.2Confident83.5Confident84 Ų8458.1 Ų58.159%0.58731%0.31SS*.PPolyproline II helixtrans-62.4119.5176.4490000109.6T174S172-T174 PolarHBondContact O-N 3.42Å
173F84.4Confident83.2Confident9 Ų953.7 Ų53.74%0.03929%0.292CS..PPolyproline II helixtrans-67.2121.1179.5-70.9-91.1000109.2R165 L168 T171 D177 V178 W218 T222 F231R165-F173 HydrophobicContact CG-CB 3.75Å; R165-F173 WeakPolarHBondContact CG-O 3.33Å; R165-F173 PolarHBondContact NH1-O 2.82Å; R165-F173 PolarHBondContact O-N 3.23Å; L168-F173 HydrophobicContact CB-CD2 3.9Å; L168-F173 HydrophobicContact CB-CE2 3.73Å; L168-F173 HydrophobicContact CD1-CD2 3.78Å; L168-F173 HydrophobicContact CD1-CE2 3.67Å; L168-F173 HydrophobicContact CG-CD2 4.49Å; L168-F173 HydrophobicContact CG-CE2 4.33Å; T171-F173 PolarHBondContact O-N 3.28Å; T171-F173 VanDerWaalsContact O-N 3.17Å; F173-D177 HydrophobicContact CB-CB 4.47Å; F173-D177 HydrophobicContact CD1-CB 4.09Å; F173-V178 HydrophobicContact CB-CG2 3.87Å; F173-V178 HydrophobicContact CG-CG2 4.5Å; F173-W218 HydrophobicContact CD1-CZ2 4.15Å; F173-W218 HydrophobicContact CD2-CH2 4.43Å; F173-W218 HydrophobicContact CE1-CZ2 4.21Å; F173-W218 HydrophobicContact CG-CH2 4.31Å; F173-W218 HydrophobicContact CG-CZ2 4.36Å; F173-W218 HydrophobicContact CZ-CZ2 4.47Å; F173-T222 HydrophobicContact CE2-CG2 3.91Å; F173-T222 HydrophobicContact CZ-CG2 3.75Å; F173-F231 AromaticContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CZ 4.19Å; F173-F231 HydrophobicContact CZ-CD1 4.22Å; F173-F231 AromaticContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CE1 3.44Å; F173-F231 VanDerWaalsContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CZ 4.08Å
174T90.6Very high82.7Confident72 Ų7253.5 Ų53.544%0.44229%0.288SS..PPolyproline II helixtrans-67.5162.2167.673.60000110S172 G176 D177 V178S172-T174 PolarHBondContact O-N 3.42Å; T174-G176 PolarHBondContact O-N 2.86Å; T174-G176 PolarHBondContact OG1-N 3.18Å; T174-D177 WeakPolarHBondContact CA-OD2 3.21Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.47Å; T174-D177 VanDerWaalsContact CG2-OD2 3.29Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.31Å; T174-D177 PolarHBondContact N-OD2 3.1Å; T174-D177 PolarHBondContact O-N 3.24Å; T174-D177 VanDerWaalsContact O-N 3.16Å; T174-D177 PolarHBondContact OG1-N 3.1Å; T174-D177 VanDerWaalsContact OG1-N 3.1Å; T174-D177 PolarHBondContact OG1-OD1 3.04Å; T174-D177 PolarHBondContact OG1-OD2 3.09Å; T174-V178 PolarHBondContact O-N 2.91Å
175Q91.3Very high82.3Confident38 Ų3857.2 Ų57.218%0.17831%0.307CS..Hα-helixtrans-61.4-22.2173.2-69173.2-20.400112.4Q192 I195 E199Q175-Q192 HydrophobicContact CB-CB 4.48Å; Q175-Q192 HydrophobicContact CB-CG 3.83Å; Q175-I195 HydrophobicContact CB-CB 4.21Å; Q175-I195 HydrophobicContact CB-CG2 4.13Å; Q175-I195 HydrophobicContact CG-CB 4.48Å; Q175-I195 HydrophobicContact CG-CG2 4.02Å; Q175-E199 PolarHBondContact NE2-OE2 2.82Å
176G88.8Confident82Confident24 Ų2458.2 Ų58.225%0.24731%0.311CS..Hα-helixtrans-74-48.8171.400000111.6T174 V178 G179 C180T174-G176 PolarHBondContact O-N 2.86Å; T174-G176 PolarHBondContact OG1-N 3.18Å; G176-V178 VanDerWaalsContact C-N 3.32Å; G176-V178 PolarHBondContact O-N 3.27Å; G176-G179 CarbonylContact O-C 3.59Å; G176-G179 WeakPolarHBondContact O-CA 3.34Å; G176-G179 PolarHBondContact O-N 2.64Å; G176-C180 PolarHBondContact O-N 3.39Å; G176-C180 PolarHBondContact O-SG 2.81Å
177D89.9Confident81.7Confident68 Ų6857.7 Ų57.736%0.36431%0.309SS..Hα-helixtrans-58.5-41.9-177.2-53-35.6000112F173 T174 G179 C180 A181F173-D177 HydrophobicContact CB-CB 4.47Å; F173-D177 HydrophobicContact CD1-CB 4.09Å; T174-D177 WeakPolarHBondContact CA-OD2 3.21Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.47Å; T174-D177 VanDerWaalsContact CG2-OD2 3.29Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.31Å; T174-D177 PolarHBondContact N-OD2 3.1Å; T174-D177 PolarHBondContact O-N 3.24Å; T174-D177 VanDerWaalsContact O-N 3.16Å; T174-D177 PolarHBondContact OG1-N 3.1Å; T174-D177 VanDerWaalsContact OG1-N 3.1Å; T174-D177 PolarHBondContact OG1-OD1 3.04Å; T174-D177 PolarHBondContact OG1-OD2 3.09Å; D177-G179 VanDerWaalsContact C-N 3.34Å; D177-G179 PolarHBondContact O-N 2.99Å; D177-C180 PolarHBondContact O-N 3.44Å; D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.17Å
178V90.7Very high81.4Confident0 Ų051.7 Ų51.70%029%0.288CS..Hα-helixtrans-61.4-44.2173.4-177.90000111.4F161 R165 F173 T174 G176 C180 A181 M182 I195 W218F161-V178 HydrophobicContact CZ-CG1 4.13Å; R165-V178 VanDerWaalsContact CD-CG2 3.42Å; R165-V178 HydrophobicContact CG-CG2 3.74Å; F173-V178 HydrophobicContact CB-CG2 3.87Å; F173-V178 HydrophobicContact CG-CG2 4.5Å; T174-V178 PolarHBondContact O-N 2.91Å; G176-V178 VanDerWaalsContact C-N 3.32Å; G176-V178 PolarHBondContact O-N 3.27Å; V178-C180 VanDerWaalsContact C-N 3.32Å; V178-C180 PolarHBondContact O-N 3.05Å; V178-A181 PolarHBondContact O-N 2.94Å; V178-M182 HydrophobicContact CG1-CG 4.35Å; V178-M182 HydrophobicContact CG1-SD 4.04Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.28Å; V178-M182 PolarHBondContact O-N 2.93Å; V178-I195 HydrophobicContact CG1-CD1 4.33Å; V178-W218 HydrophobicContact CB-CH2 4.18Å; V178-W218 HydrophobicContact CB-CZ2 4.15Å; V178-W218 HydrophobicContact CG1-CD2 3.8Å; V178-W218 HydrophobicContact CG1-CE3 3.81Å; V178-W218 HydrophobicContact CG1-CH2 3.89Å; V178-W218 HydrophobicContact CG1-CZ2 3.88Å; V178-W218 HydrophobicContact CG1-CZ3 3.84Å; V178-W218 HydrophobicContact CG2-CH2 3.37Å; V178-W218 HydrophobicContact CG2-CZ2 3.67Å; V178-W218 HydrophobicContact CG2-CZ3 3.94Å
179G88.7Confident81.8Confident1 Ų152.4 Ų52.41%0.0130%0.296CS..Hα-helixtrans-58.9-42.3177.600000112.8G176 D177 G183 A189 F190G176-G179 CarbonylContact O-C 3.59Å; G176-G179 WeakPolarHBondContact O-CA 3.34Å; G176-G179 PolarHBondContact O-N 2.64Å; D177-G179 VanDerWaalsContact C-N 3.34Å; D177-G179 PolarHBondContact O-N 2.99Å; G179-G183 PolarHBondContact O-N 3.18Å; G179-A189 CarbonylContact O-C 3.57Å; G179-A189 WeakPolarHBondContact O-CA 3.13Å; G179-A189 WeakPolarHBondContact O-CB 3.42Å; G179-F190 CarbonylContact C-O 3.56Å; G179-F190 WeakPolarHBondContact CA-O 3.36Å; G179-F190 PolarHBondContact O-N 3.05Å
180C86.3Confident83.4Confident65 Ų6550.6 Ų50.644%0.43927%0.271SS..Hα-helixtrans-72.7-45.2176.8-64.20000112.5G176 D177 V178 M182 G183 R184G176-C180 PolarHBondContact O-N 3.39Å; G176-C180 PolarHBondContact O-SG 2.81Å; D177-C180 PolarHBondContact O-N 3.44Å; V178-C180 VanDerWaalsContact C-N 3.32Å; V178-C180 PolarHBondContact O-N 3.05Å; C180-M182 PolarHBondContact O-N 2.79Å; C180-G183 CarbonylContact O-C 3.44Å; C180-G183 WeakPolarHBondContact O-CA 3.28Å; C180-G183 PolarHBondContact O-N 3.4Å; C180-R184 PolarHBondContact O-N 3.48Å
181A87.6Confident84.9Confident3 Ų343.2 Ų43.23%0.02525%0.246CC..Hα-helixtrans-59.5-42.9179.300000112D177 V178 G183 R184 L185D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.17Å; V178-A181 PolarHBondContact O-N 2.94Å; A181-G183 PolarHBondContact O-N 2.91Å; A181-R184 PolarHBondContact O-N 3.07Å; A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.37Å
182M87.8Confident86.3Confident0 Ų044.8 Ų44.80%025%0.25CC..Hα-helixtrans-66.2-24.1172.6-65.1-176.985.500113.4V178 C180 Y186 F188 F190 R214 L215 W218V178-M182 HydrophobicContact CG1-CG 4.35Å; V178-M182 HydrophobicContact CG1-SD 4.04Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.28Å; V178-M182 PolarHBondContact O-N 2.93Å; C180-M182 PolarHBondContact O-N 2.79Å; M182-Y186 HydrophobicContact CB-CD2 4.2Å; M182-Y186 HydrophobicContact CE-CD2 4.41Å; M182-Y186 HydrophobicContact CE-CE2 4.42Å; M182-Y186 HydrophobicContact CG-CD2 4.37Å; M182-Y186 HydrophobicContact CG-CE2 4.33Å; M182-Y186 PolarHBondContact O-N 3.19Å; M182-F188 HydrophobicContact CE-CE2 3.57Å; M182-F188 HydrophobicContact CE-CZ 4.01Å; M182-F190 HydrophobicContact CE-CD2 4.13Å; M182-F190 HydrophobicContact CE-CE2 3.79Å; M182-F190 HydrophobicContact SD-CD2 3.62Å; M182-F190 HydrophobicContact SD-CE2 3.92Å; M182-R214 HydrophobicContact CE-CB 4.06Å; M182-R214 WeakPolarHBondContact CE-O 3.39Å; M182-L215 HydrophobicContact CE-CD2 4.07Å; M182-L215 HydrophobicContact SD-CD2 3.65Å; M182-W218 HydrophobicContact CE-CB 3.8Å; M182-W218 HydrophobicContact CE-CG 4.45Å; M182-W218 HydrophobicContact CG-CB 3.94Å; M182-W218 VanDerWaalsContact CG-CD1 3.48Å; M182-W218 HydrophobicContact CG-CD2 4.38Å; M182-W218 HydrophobicContact CG-CG 3.62Å; M182-W218 HydrophobicContact SD-CB 4.08Å; M182-W218 HydrophobicContact SD-CG 4.12Å
183G86.1Confident87.1Confident3 Ų344.2 Ų44.23%0.03124%0.242CC..Hα-helixtrans-63-53.4168.200000111.9G179 C180 A181 N187 A189G179-G183 PolarHBondContact O-N 3.18Å; C180-G183 CarbonylContact O-C 3.44Å; C180-G183 WeakPolarHBondContact O-CA 3.28Å; C180-G183 PolarHBondContact O-N 3.4Å; A181-G183 PolarHBondContact O-N 2.91Å; G183-N187 VanDerWaalsContact O-CA 3.29Å; G183-N187 WeakPolarHBondContact O-CA 3.24Å; G183-N187 PolarHBondContact O-N 3.45Å; G183-A189 VanDerWaalsContact CA-CA 3.48Å
184R81Confident87.6Confident118 Ų11845.5 Ų45.545%0.44525%0.251SS..Hα-helixtrans-65.7-45.4178.9-55.8-172.4-163.4128.5-0.3112.5C180 A181 E236C180-R184 PolarHBondContact O-N 3.48Å; A181-R184 PolarHBondContact O-N 3.07Å; R184-E236 IonicContact CZ-OE2 3.04Å; R184-E236 IonicContact NE-OE2 2.69Å; R184-E236 IonicContact NH2-OE2 3.49Å; R184-E236 PolarHBondContact NH2-OE2 3.11Å
185L82.4Confident87.7Confident88 Ų8842.1 Ų42.146%0.46123%0.231SC..Hα-helixtrans-76.8-31.1-172.9-67.8171.2000114.4A181A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.37Å
186Y85.1Confident88Confident41 Ų4142.3 Ų42.316%0.16124%0.236CC..Hα-helixtrans-136.17.6-170.1-44.5-62.1000115.2M182 F188 K217 W218 D221M182-Y186 HydrophobicContact CB-CD2 4.2Å; M182-Y186 HydrophobicContact CE-CD2 4.41Å; M182-Y186 HydrophobicContact CE-CE2 4.42Å; M182-Y186 HydrophobicContact CG-CD2 4.37Å; M182-Y186 HydrophobicContact CG-CE2 4.33Å; M182-Y186 PolarHBondContact O-N 3.19Å; Y186-F188 HydrophobicContact CD2-CE1 4.24Å; Y186-F188 HydrophobicContact CD2-CZ 4.02Å; Y186-F188 HydrophobicContact CG-CE1 4.02Å; Y186-F188 HydrophobicContact CG-CZ 4.25Å; Y186-F188 VanDerWaalsContact O-CD1 3.28Å; Y186-F188 WeakPolarHBondContact O-CD1 3.39Å; Y186-F188 PolarHBondContact O-N 3.09Å; Y186-K217 HydrophobicContact CE1-CD 3.85Å; Y186-K217 HydrophobicContact CE1-CG 4.47Å; Y186-W218 HydrophobicContact CE2-CB 3.95Å; Y186-W218 HydrophobicContact CE2-CG 4.49Å; Y186-W218 WeakPolarHBondContact OH-CA 3.42Å; Y186-D221 WeakPolarHBondContact OH-CB 3.48Å; Y186-D221 PolarHBondContact OH-OD2 2.87Å
187N80.8Confident88.3Confident84 Ų8447.7 Ų47.745%0.44925%0.249SC..SBendtrans56.634.6-176.8-59.6-28.3000113.7G183 P336G183-N187 VanDerWaalsContact O-CA 3.29Å; G183-N187 WeakPolarHBondContact O-CA 3.24Å; G183-N187 PolarHBondContact O-N 3.45Å; N187-P336 WeakPolarHBondContact OD1-CG 3.46Å
188F79.9Confident88.6Confident45 Ų4544.5 Ų44.520%0.19723%0.231CC..  trans-143.189.1165.662.4-93.7000112.7M182 Y186 F190 R214M182-F188 HydrophobicContact CE-CE2 3.57Å; M182-F188 HydrophobicContact CE-CZ 4.01Å; Y186-F188 HydrophobicContact CD2-CE1 4.24Å; Y186-F188 HydrophobicContact CD2-CZ 4.02Å; Y186-F188 HydrophobicContact CG-CE1 4.02Å; Y186-F188 HydrophobicContact CG-CZ 4.25Å; Y186-F188 VanDerWaalsContact O-CD1 3.28Å; Y186-F188 WeakPolarHBondContact O-CD1 3.39Å; Y186-F188 PolarHBondContact O-N 3.09Å; F188-F190 HydrophobicContact CD2-CD2 4.43Å; F188-F190 AromaticContact CD2-CE2 3.81Å; F188-F190 HydrophobicContact CD2-CE2 3.81Å; F188-F190 AromaticContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CE2-CD2 4.46Å; F188-F190 AromaticContact CE2-CE2 3.62Å; F188-F190 HydrophobicContact CE2-CE2 3.62Å; F188-F190 AromaticContact CE2-CZ 3.89Å; F188-F190 HydrophobicContact CE2-CZ 3.89Å; F188-F190 PolarHBondContact O-N 2.92Å; F188-R214 VanDerWaalsContact CD2-NH1 3.28Å; F188-R214 HydrophobicContact CE2-CB 3.78Å; F188-R214 HydrophobicContact CE2-CG 3.92Å; F188-R214 VanDerWaalsContact CG-NH1 3.26Å; F188-R214 HydrophobicContact CZ-CB 3.78Å; F188-R214 HydrophobicContact CZ-CG 3.75Å
189A83.9Confident88.9Confident34 Ų3445.4 Ų45.428%0.28124%0.236SC..PPolyproline II helixtrans-72.3121.6179.900000111.9G179 G183 R339G179-A189 CarbonylContact O-C 3.57Å; G179-A189 WeakPolarHBondContact O-CA 3.13Å; G179-A189 WeakPolarHBondContact O-CB 3.42Å; G183-A189 VanDerWaalsContact CA-CA 3.48Å; A189-R339 PolarHBondContact O-NH1 3.35Å; A189-R339 PolarHBondContact O-NH2 3.34Å
190F88.8Confident89.2Confident22 Ų2247.7 Ų47.710%0.09626%0.255CS..PPolyproline II helixtrans-80.9153.9172.1-73.3-58.9000112G179 M182 F188 T194 I195 L211 R214 L215 R339G179-F190 CarbonylContact C-O 3.56Å; G179-F190 WeakPolarHBondContact CA-O 3.36Å; G179-F190 PolarHBondContact O-N 3.05Å; M182-F190 HydrophobicContact CE-CD2 4.13Å; M182-F190 HydrophobicContact CE-CE2 3.79Å; M182-F190 HydrophobicContact SD-CD2 3.62Å; M182-F190 HydrophobicContact SD-CE2 3.92Å; F188-F190 HydrophobicContact CD2-CD2 4.43Å; F188-F190 AromaticContact CD2-CE2 3.81Å; F188-F190 HydrophobicContact CD2-CE2 3.81Å; F188-F190 AromaticContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CE2-CD2 4.46Å; F188-F190 AromaticContact CE2-CE2 3.62Å; F188-F190 HydrophobicContact CE2-CE2 3.62Å; F188-F190 AromaticContact CE2-CZ 3.89Å; F188-F190 HydrophobicContact CE2-CZ 3.89Å; F188-F190 PolarHBondContact O-N 2.92Å; F190-T194 HydrophobicContact CD1-CG2 3.75Å; F190-T194 HydrophobicContact CE1-CG2 4.28Å; F190-T194 HydrophobicContact CG-CG2 4.27Å; F190-I195 HydrophobicContact CB-CD1 3.88Å; F190-I195 HydrophobicContact CB-CG1 4.27Å; F190-I195 HydrophobicContact CD2-CD1 4.09Å; F190-I195 HydrophobicContact CG-CD1 4.26Å; F190-L211 HydrophobicContact CD1-CD2 4.39Å; F190-L211 HydrophobicContact CE1-CD2 3.44Å; F190-L211 VanDerWaalsContact CE1-CD2 3.44Å; F190-L211 HydrophobicContact CE2-CD2 4.17Å; F190-L211 HydrophobicContact CZ-CD2 3.31Å; F190-R214 HydrophobicContact CE2-CB 4.45Å; F190-L215 HydrophobicContact CD2-CD2 4.38Å; F190-L215 HydrophobicContact CE2-CD2 4.35Å; F190-R339 VanDerWaalsContact CD1-NH2 3.29Å
191S89.5Confident89.5Confident54 Ų5447.5 Ų47.538%0.37825%0.249SC..PPolyproline II helixtrans-81.9151.8167.767.80000110T193 T194 I195S191-T193 PolarHBondContact O-N 3.26Å; S191-T193 VanDerWaalsContact O-N 3.11Å; S191-T194 WeakPolarHBondContact O-CA 3.28Å; S191-T194 WeakPolarHBondContact O-CB 3.44Å; S191-T194 PolarHBondContact O-N 2.68Å; S191-T194 PolarHBondContact OG-N 3.35Å; S191-T194 PolarHBondContact OG-OG1 3.42Å; S191-T194 VanDerWaalsContact OG-OG1 3.13Å; S191-I195 PolarHBondContact O-N 3Å
192Q91.7Very high89.8Confident88 Ų8852.9 Ų52.941%0.41128%0.277SS..Hα-helixtrans-46-42170.3172.5-80.2-20.600111.7Q175 T194 I195 S196Q175-Q192 HydrophobicContact CB-CB 4.48Å; Q175-Q192 HydrophobicContact CB-CG 3.83Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 3.17Å; Q192-I195 PolarHBondContact O-N 3.05Å; Q192-S196 WeakPolarHBondContact O-CB 3.42Å; Q192-S196 PolarHBondContact O-N 2.87Å
193T93.5Very high90Very high71 Ų7154.6 Ų54.644%0.43629%0.286SS..Hα-helixtrans-67.1-29.7-179.4-44.30000112.9S191 R197S191-T193 PolarHBondContact O-N 3.26Å; S191-T193 VanDerWaalsContact O-N 3.11Å; T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 VanDerWaalsContact O-CG 3.3Å; T193-R197 WeakPolarHBondContact O-CG 3.4Å; T193-R197 PolarHBondContact O-N 2.81Å; T193-R197 VanDerWaalsContact O-N 3.07Å
194T94.6Very high90.2Very high37 Ų3758.3 Ų58.323%0.22731%0.312CS..Hα-helixtrans-68.5-47173-58.30000110.9F190 S191 Q192 R197 F198 L211F190-T194 HydrophobicContact CD1-CG2 3.75Å; F190-T194 HydrophobicContact CE1-CG2 4.28Å; F190-T194 HydrophobicContact CG-CG2 4.27Å; S191-T194 WeakPolarHBondContact O-CA 3.28Å; S191-T194 WeakPolarHBondContact O-CB 3.44Å; S191-T194 PolarHBondContact O-N 2.68Å; S191-T194 PolarHBondContact OG-N 3.35Å; S191-T194 PolarHBondContact OG-OG1 3.42Å; S191-T194 VanDerWaalsContact OG-OG1 3.13Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 3.17Å; T194-R197 PolarHBondContact O-N 3.25Å; T194-F198 PolarHBondContact O-N 3.14Å; T194-L211 HydrophobicContact CG2-CD1 4.01Å; T194-L211 HydrophobicContact CG2-CD2 4.39Å
195I94.2Very high90.7Very high1 Ų156.6 Ų56.61%0.00531%0.308CS..Hα-helixtrans-62.8-46.9177.7-55.1-56.6000110.3F161 Q175 V178 F190 S191 Q192 R197 F198 E199 L215F161-I195 HydrophobicContact CE1-CG2 3.95Å; F161-I195 HydrophobicContact CZ-CG2 4.25Å; Q175-I195 HydrophobicContact CB-CB 4.21Å; Q175-I195 HydrophobicContact CB-CG2 4.13Å; Q175-I195 HydrophobicContact CG-CB 4.48Å; Q175-I195 HydrophobicContact CG-CG2 4.02Å; V178-I195 HydrophobicContact CG1-CD1 4.33Å; F190-I195 HydrophobicContact CB-CD1 3.88Å; F190-I195 HydrophobicContact CB-CG1 4.27Å; F190-I195 HydrophobicContact CD2-CD1 4.09Å; F190-I195 HydrophobicContact CG-CD1 4.26Å; S191-I195 PolarHBondContact O-N 3Å; Q192-I195 PolarHBondContact O-N 3.05Å; I195-R197 PolarHBondContact O-N 2.77Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.11Å; I195-F198 VanDerWaalsContact O-N 3.11Å; I195-E199 HydrophobicContact CG2-CG 4.4Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 3.22Å; I195-L215 HydrophobicContact CD1-CD2 3.74Å
196S95.7Very high91.1Very high41 Ų4160 Ų6029%0.28732%0.319SS..Hα-helixtrans-57.1-45.7177.4-175.30000113Q192 F198 E199 A200Q192-S196 WeakPolarHBondContact O-CB 3.42Å; Q192-S196 PolarHBondContact O-N 2.87Å; S196-F198 VanDerWaalsContact C-N 3.34Å; S196-F198 PolarHBondContact O-N 3.23Å; S196-E199 PolarHBondContact O-N 2.94Å; S196-A200 WeakPolarHBondContact O-CB 3.44Å; S196-A200 PolarHBondContact O-N 3.02Å
197R96.4Very high91.5Very high137 Ų13761 Ų6152%0.51733%0.327SS..Hα-helixtrans-68-31.8176.4-73.2-178.4-179.4-169.1-1.8113.1T193 T194 I195 L201 N202 L203T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 VanDerWaalsContact O-CG 3.3Å; T193-R197 WeakPolarHBondContact O-CG 3.4Å; T193-R197 PolarHBondContact O-N 2.81Å; T193-R197 VanDerWaalsContact O-N 3.07Å; T194-R197 PolarHBondContact O-N 3.25Å; I195-R197 PolarHBondContact O-N 2.77Å; R197-L201 PolarHBondContact O-N 3.35Å; R197-N202 HydrophobicContact CB-CB 4.43Å; R197-N202 HydrophobicContact CG-CB 4.48Å; R197-N202 PolarHBondContact O-N 2.87Å; R197-L203 HydrophobicContact CB-CD1 4.33Å; R197-L203 HydrophobicContact CB-CD2 3.65Å; R197-L203 HydrophobicContact CB-CG 3.79Å; R197-L203 HydrophobicContact CG-CD2 4.39Å
198F96.6Very high92.1Very high1 Ų157.1 Ų57.10%0.00431%0.306CS..Hα-helixtrans-67-49.3173.9-175.3-89.7000111.4F157 A158 F161 T194 I195 S196 A200 L201 L203 M208 L211 K212 L215F157-F198 AromaticContact CD1-CE1 3.81Å; F157-F198 HydrophobicContact CD1-CE1 3.81Å; F157-F198 AromaticContact CD1-CZ 3.62Å; F157-F198 HydrophobicContact CD1-CZ 3.62Å; F157-F198 AromaticContact CE1-CE1 3.66Å; F157-F198 HydrophobicContact CE1-CE1 3.66Å; F157-F198 AromaticContact CE1-CZ 3.59Å; F157-F198 HydrophobicContact CE1-CZ 3.59Å; A158-F198 HydrophobicContact CB-CE1 4.14Å; F161-F198 HydrophobicContact CD1-CD1 4.44Å; T194-F198 PolarHBondContact O-N 3.14Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.11Å; I195-F198 VanDerWaalsContact O-N 3.11Å; S196-F198 VanDerWaalsContact C-N 3.34Å; S196-F198 PolarHBondContact O-N 3.23Å; F198-A200 PolarHBondContact O-N 3.03Å; F198-L201 PolarHBondContact O-N 3.08Å; F198-L203 HydrophobicContact CB-CD1 4.3Å; F198-M208 HydrophobicContact CB-SD 4.46Å; F198-M208 HydrophobicContact CD1-CE 4.43Å; F198-M208 HydrophobicContact CD2-CE 3.47Å; F198-M208 VanDerWaalsContact CD2-CE 3.47Å; F198-M208 HydrophobicContact CD2-SD 3.47Å; F198-M208 WeakPolarHBondContact CD2-SD 3.43Å; F198-M208 HydrophobicContact CE1-CE 4.41Å; F198-M208 HydrophobicContact CE2-CE 3.45Å; F198-M208 VanDerWaalsContact CE2-CE 3.45Å; F198-M208 HydrophobicContact CE2-SD 3.92Å; F198-M208 HydrophobicContact CG-CE 3.99Å; F198-M208 HydrophobicContact CG-SD 4.16Å; F198-M208 HydrophobicContact CZ-CE 3.94Å; F198-L211 HydrophobicContact CD2-CB 3.69Å; F198-L211 HydrophobicContact CD2-CD1 3.92Å; F198-L211 HydrophobicContact CD2-CG 4.48Å; F198-L211 HydrophobicContact CE2-CB 3.72Å; F198-K212 HydrophobicContact CZ-CB 4.5Å; F198-L215 HydrophobicContact CB-CD1 4.36Å; F198-L215 HydrophobicContact CD1-CD1 3.4Å; F198-L215 VanDerWaalsContact CD1-CD1 3.4Å; F198-L215 HydrophobicContact CD2-CD1 3.72Å; F198-L215 HydrophobicContact CE1-CD1 3.46Å; F198-L215 VanDerWaalsContact CE1-CD1 3.46Å; F198-L215 HydrophobicContact CE2-CD1 3.77Å; F198-L215 HydrophobicContact CG-CD1 3.54Å; F198-L215 HydrophobicContact CZ-CD1 3.64Å
199E95.9Very high92.8Very high20 Ų2056.7 Ų56.79%0.09331%0.308CS..Hα-helixtrans-61.4-29177.4-70.2-172.4151.600113.9F161 K162 R165 Q175 I195 S196F161-E199 HydrophobicContact CD1-CG 4.09Å; F161-E199 HydrophobicContact CE1-CG 4.08Å; K162-E199 HydrophobicContact CB-CG 4.09Å; K162-E199 HydrophobicContact CD-CB 4.3Å; K162-E199 HydrophobicContact CG-CG 4.34Å; R165-E199 IonicContact CZ-OE1 2.84Å; R165-E199 IonicContact CZ-OE2 2.64Å; R165-E199 IonicContact NE-OE1 3.4Å; R165-E199 PolarHBondContact NE-OE1 2.8Å; R165-E199 IonicContact NE-OE2 3.31Å; R165-E199 VanDerWaalsContact NH2-CD 3.25Å; R165-E199 IonicContact NH2-OE1 3.58Å; R165-E199 PolarHBondContact NH2-OE1 3.42Å; R165-E199 IonicContact NH2-OE2 2.76Å; R165-E199 PolarHBondContact NH2-OE2 3.43Å; Q175-E199 PolarHBondContact NE2-OE2 2.82Å; I195-E199 HydrophobicContact CG2-CG 4.4Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 3.22Å; S196-E199 PolarHBondContact O-N 2.94Å
200A95.1Very high93.2Very high49 Ų4961.3 Ų61.341%0.40532%0.322SS..THydrogen-bonded Turntrans-93.58.1177.400000113.7S196 F198 N202S196-A200 WeakPolarHBondContact O-CB 3.44Å; S196-A200 PolarHBondContact O-N 3.02Å; F198-A200 PolarHBondContact O-N 3.03Å; A200-N202 HydrophobicContact CB-CB 4.33Å; A200-N202 WeakPolarHBondContact CB-ND2 3.34Å; A200-N202 PolarHBondContact O-N 3.47Å; A200-N202 PolarHBondContact O-ND2 3.11Å
201L93.6Very high93.4Very high60 Ų6060.8 Ų60.831%0.31432%0.32SS..THydrogen-bonded Turntrans55.916.9-176-56.1173.4000114.5E155 A158 R197 F198 L203 M208E155-L201 HydrophobicContact CB-CD1 4.24Å; E155-L201 HydrophobicContact CG-CD1 3.74Å; A158-L201 HydrophobicContact CB-CD2 3.58Å; R197-L201 PolarHBondContact O-N 3.35Å; F198-L201 PolarHBondContact O-N 3.08Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L201-L203 PolarHBondContact O-N 3.25Å; L201-L203 VanDerWaalsContact O-N 3.09Å; L201-M208 HydrophobicContact CD2-CE 3.6Å
202N93.7Very high93.6Very high116 Ų11659.3 Ų59.362%0.6231%0.307SS*.  trans-90.245.7-172.3-79.7-35.7000112.7R197 A200R197-N202 HydrophobicContact CB-CB 4.43Å; R197-N202 HydrophobicContact CG-CB 4.48Å; R197-N202 PolarHBondContact O-N 2.87Å; A200-N202 HydrophobicContact CB-CB 4.33Å; A200-N202 WeakPolarHBondContact CB-ND2 3.34Å; A200-N202 PolarHBondContact O-N 3.47Å; A200-N202 PolarHBondContact O-ND2 3.11Å
203L91.1Very high93.7Very high36 Ų3658.8 Ų58.819%0.18831%0.311CS..SBendtrans-135.3159.7172.6-60.6173.9000109R197 F198 L201 N207 M208 L211R197-L203 HydrophobicContact CB-CD1 4.33Å; R197-L203 HydrophobicContact CB-CD2 3.65Å; R197-L203 HydrophobicContact CB-CG 3.79Å; R197-L203 HydrophobicContact CG-CD2 4.39Å; F198-L203 HydrophobicContact CB-CD1 4.3Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L201-L203 PolarHBondContact O-N 3.25Å; L201-L203 VanDerWaalsContact O-N 3.09Å; L203-N207 HydrophobicContact CB-CB 4.36Å; L203-M208 HydrophobicContact CB-CG 3.92Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD1-SD 3.88Å; L203-M208 HydrophobicContact CG-SD 4.18Å; L203-L211 HydrophobicContact CD1-CD1 3.39Å
204S91.3Very high93.6Very high82 Ų8260.7 Ų60.757%0.57331%0.31SS*.  trans-62.5145.5171.559.80000110.7K206 N207 M208S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.87Å; S204-N207 WeakPolarHBondContact O-CA 3.28Å; S204-N207 WeakPolarHBondContact O-CB 3.39Å; S204-N207 PolarHBondContact O-N 3.39Å; S204-M208 PolarHBondContact O-N 3.19Å
205F91.3Very high93.6Very high81 Ų8159 Ų5936%0.35530%0.3SS..Hα-helixtrans-47.6-49.1178.5178.2-103.4000112.4L141 V149 I151 L154 N207 M208 C209L141-F205 HydrophobicContact CD2-CE1 4.22Å; V149-F205 VanDerWaalsContact O-CZ 3.24Å; V149-F205 WeakPolarHBondContact O-CZ 3.19Å; I151-F205 HydrophobicContact CB-CE2 4.42Å; L154-F205 HydrophobicContact CD2-CD2 3.87Å; L154-F205 HydrophobicContact CD2-CE2 4.07Å; F205-N207 PolarHBondContact O-N 2.8Å; F205-N207 VanDerWaalsContact O-N 3.11Å; F205-M208 WeakPolarHBondContact O-CB 3.45Å; F205-M208 PolarHBondContact O-N 3.43Å; F205-C209 PolarHBondContact O-N 3.16Å; F205-C209 PolarHBondContact O-SG 3.31Å
206K90.7Very high93.6Very high160 Ų16062.7 Ų62.770%0.69632%0.317SS*.Hα-helixtrans-59.5-23.5175.7-171167.3-173166.40114.6S204 K210S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.87Å; K206-K210 WeakPolarHBondContact O-CD 3.46Å; K206-K210 VanDerWaalsContact O-CG 3.28Å; K206-K210 WeakPolarHBondContact O-CG 3.5Å
207N92.6Very high93.4Very high61 Ų6165.9 Ų65.933%0.32633%0.326SS..Hα-helixtrans-87.2-40173.6-165.627.8000111.3L203 S204 F205 C209 K210 L211L203-N207 HydrophobicContact CB-CB 4.36Å; S204-N207 WeakPolarHBondContact O-CA 3.28Å; S204-N207 WeakPolarHBondContact O-CB 3.39Å; S204-N207 PolarHBondContact O-N 3.39Å; F205-N207 PolarHBondContact O-N 2.8Å; F205-N207 VanDerWaalsContact O-N 3.11Å; N207-C209 PolarHBondContact O-N 3.24Å; N207-K210 WeakPolarHBondContact O-CB 3.45Å; N207-K210 PolarHBondContact O-N 2.7Å; N207-K210 VanDerWaalsContact O-N 3.11Å; N207-L211 WeakPolarHBondContact O-CG 3.43Å; N207-L211 PolarHBondContact O-N 2.72Å; N207-L211 VanDerWaalsContact O-N 3.08Å
208M94.4Very high93.2Very high4 Ų459.4 Ų59.42%0.0230%0.301CS..Hα-helixtrans-56.2-49.2172.3-69-65.7-6500111.6L154 A158 F198 L201 L203 S204 F205 K210 L211 K212L154-M208 HydrophobicContact CD1-CB 4Å; L154-M208 HydrophobicContact CD1-CE 4.3Å; L154-M208 HydrophobicContact CD2-CB 3.29Å; L154-M208 HydrophobicContact CD2-CE 4.48Å; L154-M208 HydrophobicContact CD2-CG 4.1Å; L154-M208 HydrophobicContact CG-CB 3.97Å; L154-M208 HydrophobicContact CG-CE 4.12Å; A158-M208 HydrophobicContact CB-CE 4.5Å; F198-M208 HydrophobicContact CB-SD 4.46Å; F198-M208 HydrophobicContact CD1-CE 4.43Å; F198-M208 HydrophobicContact CD2-CE 3.47Å; F198-M208 VanDerWaalsContact CD2-CE 3.47Å; F198-M208 HydrophobicContact CD2-SD 3.47Å; F198-M208 WeakPolarHBondContact CD2-SD 3.43Å; F198-M208 HydrophobicContact CE1-CE 4.41Å; F198-M208 HydrophobicContact CE2-CE 3.45Å; F198-M208 VanDerWaalsContact CE2-CE 3.45Å; F198-M208 HydrophobicContact CE2-SD 3.92Å; F198-M208 HydrophobicContact CG-CE 3.99Å; F198-M208 HydrophobicContact CG-SD 4.16Å; F198-M208 HydrophobicContact CZ-CE 3.94Å; L201-M208 HydrophobicContact CD2-CE 3.6Å; L203-M208 HydrophobicContact CB-CG 3.92Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD1-SD 3.88Å; L203-M208 HydrophobicContact CG-SD 4.18Å; S204-M208 PolarHBondContact O-N 3.19Å; F205-M208 WeakPolarHBondContact O-CB 3.45Å; F205-M208 PolarHBondContact O-N 3.43Å; M208-K210 PolarHBondContact O-N 2.76Å; M208-L211 PolarHBondContact O-N 3.21Å; M208-K212 PolarHBondContact O-N 2.86Å
209C93.7Very high93Very high35 Ų3559.6 Ų59.624%0.23630%0.302CS..Hα-helixtrans-60.8-28.6176.2-57.30000113.4F205 N207 P213F205-C209 PolarHBondContact O-N 3.16Å; F205-C209 PolarHBondContact O-SG 3.31Å; N207-C209 PolarHBondContact O-N 3.24Å; C209-P213 WeakPolarHBondContact O-CD 3.28Å
210K92.4Very high92.7Very high132 Ų13261.6 Ų61.657%0.57432%0.316SS*.Hα-helixtrans-77.1-26.2174.7-76176.2177.5-167.50113.4K206 N207 M208K206-K210 WeakPolarHBondContact O-CD 3.46Å; K206-K210 VanDerWaalsContact O-CG 3.28Å; K206-K210 WeakPolarHBondContact O-CG 3.5Å; N207-K210 WeakPolarHBondContact O-CB 3.45Å; N207-K210 PolarHBondContact O-N 2.7Å; N207-K210 VanDerWaalsContact O-N 3.11Å; M208-K210 PolarHBondContact O-N 2.76Å
211L93.3Very high92.4Very high10 Ų1061.5 Ų61.55%0.05231%0.309CS..Hα-helixtrans-88.7-37-179.7-68.5175.7000112.1F190 T194 F198 L203 N207 M208 R214 L215F190-L211 HydrophobicContact CD1-CD2 4.39Å; F190-L211 HydrophobicContact CE1-CD2 3.44Å; F190-L211 VanDerWaalsContact CE1-CD2 3.44Å; F190-L211 HydrophobicContact CE2-CD2 4.17Å; F190-L211 HydrophobicContact CZ-CD2 3.31Å; T194-L211 HydrophobicContact CG2-CD1 4.01Å; T194-L211 HydrophobicContact CG2-CD2 4.39Å; F198-L211 HydrophobicContact CD2-CB 3.69Å; F198-L211 HydrophobicContact CD2-CD1 3.92Å; F198-L211 HydrophobicContact CD2-CG 4.48Å; F198-L211 HydrophobicContact CE2-CB 3.72Å; L203-L211 HydrophobicContact CD1-CD1 3.39Å; N207-L211 WeakPolarHBondContact O-CG 3.43Å; N207-L211 PolarHBondContact O-N 2.72Å; N207-L211 VanDerWaalsContact O-N 3.08Å; M208-L211 PolarHBondContact O-N 3.21Å; L211-R214 WeakPolarHBondContact O-CB 3.11Å; L211-R214 PolarHBondContact O-N 3.26Å; L211-R214 VanDerWaalsContact O-N 3.09Å; L211-L215 HydrophobicContact CB-CD1 4.18Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.37Å
212K94.1Very high92.1Very high24 Ų2458.6 Ų58.610%0.10429%0.294CS..Hα-helixtrans-43-62179176.8169.7178.2175.60113.2V149 L154 F157 F198 M208 R214 L215 E216V149-K212 HydrophobicContact CG1-CD 4.19Å; L154-K212 HydrophobicContact CD1-CB 4.06Å; L154-K212 HydrophobicContact CD1-CD 4.04Å; F157-K212 HydrophobicContact CB-CD 4.21Å; F157-K212 HydrophobicContact CD1-CB 4.41Å; F157-K212 HydrophobicContact CD1-CD 4.28Å; F157-K212 HydrophobicContact CD1-CG 3.87Å; F157-K212 HydrophobicContact CD2-CG 4.35Å; F157-K212 HydrophobicContact CE1-CB 4.49Å; F157-K212 HydrophobicContact CE1-CG 4.1Å; F157-K212 HydrophobicContact CG-CD 4.06Å; F157-K212 HydrophobicContact CG-CG 4.01Å; F157-K212 HydrophobicContact CZ-CG 4.46Å; F198-K212 HydrophobicContact CZ-CB 4.5Å; M208-K212 PolarHBondContact O-N 2.86Å; K212-R214 PolarHBondContact O-N 2.86Å; K212-R214 VanDerWaalsContact O-N 3.1Å; K212-L215 PolarHBondContact O-N 2.94Å; K212-L215 VanDerWaalsContact O-N 3.1Å; K212-E216 WeakPolarHBondContact CE-OE2 3.32Å; K212-E216 WeakPolarHBondContact O-CB 3.36Å; K212-E216 PolarHBondContact O-N 3.45Å
213P93Very high91.7Very high77 Ų7755.4 Ų55.450%0.528%0.275SS..Hα-helixtrans-64.1-24.7-174.325.8-36000113.8C209 K217C209-P213 WeakPolarHBondContact O-CD 3.28Å; P213-K217 WeakPolarHBondContact O-CB 3.22Å; P213-K217 PolarHBondContact O-N 3.36Å
214R92.2Very high91.4Very high111 Ų11158.5 Ų58.542%0.41929%0.289SS..Hα-helixtrans-74.8-45.6176.1-66.1174.4177.1-114.2-0.2111.2M182 F188 F190 L211 K212 E216 W218M182-R214 HydrophobicContact CE-CB 4.06Å; M182-R214 WeakPolarHBondContact CE-O 3.39Å; F188-R214 VanDerWaalsContact CD2-NH1 3.28Å; F188-R214 HydrophobicContact CE2-CB 3.78Å; F188-R214 HydrophobicContact CE2-CG 3.92Å; F188-R214 VanDerWaalsContact CG-NH1 3.26Å; F188-R214 HydrophobicContact CZ-CB 3.78Å; F188-R214 HydrophobicContact CZ-CG 3.75Å; F190-R214 HydrophobicContact CE2-CB 4.45Å; L211-R214 WeakPolarHBondContact O-CB 3.11Å; L211-R214 PolarHBondContact O-N 3.26Å; L211-R214 VanDerWaalsContact O-N 3.09Å; K212-R214 PolarHBondContact O-N 2.86Å; K212-R214 VanDerWaalsContact O-N 3.1Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-W218 PolarHBondContact O-N 2.9Å
215L94.2Very high90.9Very high1 Ų156.9 Ų56.91%0.00528%0.275CS..Hα-helixtrans-71.2-33.4178.9-65.7171.3000111.5F157 F161 M182 F190 I195 F198 L211 K212 W218 L219F157-L215 HydrophobicContact CE1-CB 4.08Å; F157-L215 HydrophobicContact CZ-CB 4.09Å; F161-L215 HydrophobicContact CD2-CB 4.06Å; F161-L215 HydrophobicContact CE2-CB 3.87Å; F161-L215 HydrophobicContact CE2-CD2 3.85Å; F161-L215 HydrophobicContact CE2-CG 4.31Å; F161-L215 HydrophobicContact CZ-CD2 3.85Å; M182-L215 HydrophobicContact CE-CD2 4.07Å; M182-L215 HydrophobicContact SD-CD2 3.65Å; F190-L215 HydrophobicContact CD2-CD2 4.38Å; F190-L215 HydrophobicContact CE2-CD2 4.35Å; I195-L215 HydrophobicContact CD1-CD2 3.74Å; F198-L215 HydrophobicContact CB-CD1 4.36Å; F198-L215 HydrophobicContact CD1-CD1 3.4Å; F198-L215 VanDerWaalsContact CD1-CD1 3.4Å; F198-L215 HydrophobicContact CD2-CD1 3.72Å; F198-L215 HydrophobicContact CE1-CD1 3.46Å; F198-L215 VanDerWaalsContact CE1-CD1 3.46Å; F198-L215 HydrophobicContact CE2-CD1 3.77Å; F198-L215 HydrophobicContact CG-CD1 3.54Å; F198-L215 HydrophobicContact CZ-CD1 3.64Å; L211-L215 HydrophobicContact CB-CD1 4.18Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.37Å; K212-L215 PolarHBondContact O-N 2.94Å; K212-L215 VanDerWaalsContact O-N 3.1Å; L215-W218 PolarHBondContact O-N 3.48Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 PolarHBondContact O-N 3.04Å
216E93.9Very high90.2Very high79 Ų7956.1 Ų56.137%0.36927%0.274SS..Hα-helixtrans-64.8-50.1175.8-170.4156.4-14200110.6F157 K212 R214 W218 L219 T220F157-E216 HydrophobicContact CE2-CB 3.58Å; F157-E216 HydrophobicContact CE2-CG 3.75Å; F157-E216 HydrophobicContact CZ-CB 3.7Å; F157-E216 HydrophobicContact CZ-CG 4.39Å; K212-E216 WeakPolarHBondContact CE-OE2 3.32Å; K212-E216 WeakPolarHBondContact O-CB 3.36Å; K212-E216 PolarHBondContact O-N 3.45Å; R214-E216 VanDerWaalsContact C-N 3.34Å; E216-W218 PolarHBondContact O-N 3.09Å; E216-L219 WeakPolarHBondContact O-CB 3.38Å; E216-L219 PolarHBondContact O-N 3.28Å; E216-T220 PolarHBondContact O-N 3.4Å; E216-T220 PolarHBondContact O-OG1 3.03Å
217K92Very high89.7Confident108 Ų10856 Ų5647%0.4727%0.274SS..Hα-helixtrans-55.3-48.8171.8-170.2-172.5177.7-166.50112.1Y186 P213 L219 T220 D221Y186-K217 HydrophobicContact CE1-CD 3.85Å; Y186-K217 HydrophobicContact CE1-CG 4.47Å; P213-K217 WeakPolarHBondContact O-CB 3.22Å; P213-K217 PolarHBondContact O-N 3.36Å; K217-L219 PolarHBondContact O-N 3.18Å; K217-T220 PolarHBondContact O-N 2.89Å; K217-D221 VanDerWaalsContact CE-OD2 3.28Å; K217-D221 WeakPolarHBondContact CE-OD2 3.44Å; K217-D221 IonicContact NZ-OD2 3.48Å; K217-D221 PolarHBondContact O-N 2.8Å; K217-D221 VanDerWaalsContact O-OD1 3.07Å
218W92Very high88.6Confident0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-57.8-37.5176.817777.7000113.1F161 L168 F173 V178 M182 Y186 R214 L215 E216 T222F161-W218 AromaticContact CE2-CE3 3.74Å; F161-W218 HydrophobicContact CE2-CE3 3.74Å; F161-W218 AromaticContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CZ-CE3 4.49Å; F161-W218 HydrophobicContact CZ-CZ3 4.3Å; L168-W218 HydrophobicContact CD1-CH2 4.27Å; F173-W218 HydrophobicContact CD1-CZ2 4.15Å; F173-W218 HydrophobicContact CD2-CH2 4.43Å; F173-W218 HydrophobicContact CE1-CZ2 4.21Å; F173-W218 HydrophobicContact CG-CH2 4.31Å; F173-W218 HydrophobicContact CG-CZ2 4.36Å; F173-W218 HydrophobicContact CZ-CZ2 4.47Å; V178-W218 HydrophobicContact CB-CH2 4.18Å; V178-W218 HydrophobicContact CB-CZ2 4.15Å; V178-W218 HydrophobicContact CG1-CD2 3.8Å; V178-W218 HydrophobicContact CG1-CE3 3.81Å; V178-W218 HydrophobicContact CG1-CH2 3.89Å; V178-W218 HydrophobicContact CG1-CZ2 3.88Å; V178-W218 HydrophobicContact CG1-CZ3 3.84Å; V178-W218 HydrophobicContact CG2-CH2 3.37Å; V178-W218 HydrophobicContact CG2-CZ2 3.67Å; V178-W218 HydrophobicContact CG2-CZ3 3.94Å; M182-W218 HydrophobicContact CE-CB 3.8Å; M182-W218 HydrophobicContact CE-CG 4.45Å; M182-W218 HydrophobicContact CG-CB 3.94Å; M182-W218 VanDerWaalsContact CG-CD1 3.48Å; M182-W218 HydrophobicContact CG-CD2 4.38Å; M182-W218 HydrophobicContact CG-CG 3.62Å; M182-W218 HydrophobicContact SD-CB 4.08Å; M182-W218 HydrophobicContact SD-CG 4.12Å; Y186-W218 HydrophobicContact CE2-CB 3.95Å; Y186-W218 HydrophobicContact CE2-CG 4.49Å; Y186-W218 WeakPolarHBondContact OH-CA 3.42Å; R214-W218 PolarHBondContact O-N 2.9Å; L215-W218 PolarHBondContact O-N 3.48Å; E216-W218 PolarHBondContact O-N 3.09Å; W218-T222 VanDerWaalsContact CE2-OG1 3.32Å; W218-T222 HydrophobicContact CZ2-CG2 4.32Å; W218-T222 PolarHBondContact NE1-OG1 3.2Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.29Å; W218-T222 PolarHBondContact O-N 3.36Å; W218-T222 PolarHBondContact O-OG1 3.28Å
219L91.9Very high87Confident5 Ų561.8 Ų61.83%0.02632%0.321CS..Hα-helixtrans-66.5-46.4178.3-154.864.1000111.2Y160 F161 T164 L215 E216 K217 T222 E223Y160-L219 HydrophobicContact CD1-CD2 3.75Å; Y160-L219 HydrophobicContact CE1-CD2 3.44Å; Y160-L219 VanDerWaalsContact CE1-CD2 3.44Å; F161-L219 HydrophobicContact CD2-CD1 4.21Å; F161-L219 HydrophobicContact CD2-CD2 4.44Å; T164-L219 HydrophobicContact CG2-CD1 3.53Å; T164-L219 HydrophobicContact CG2-CD2 4.38Å; T164-L219 HydrophobicContact CG2-CG 4.05Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 PolarHBondContact O-N 3.04Å; E216-L219 WeakPolarHBondContact O-CB 3.38Å; E216-L219 PolarHBondContact O-N 3.28Å; K217-L219 PolarHBondContact O-N 3.18Å; L219-T222 PolarHBondContact O-N 3.38Å; L219-E223 WeakPolarHBondContact O-CB 3.37Å; L219-E223 WeakPolarHBondContact O-CG 3.24Å; L219-E223 PolarHBondContact O-N 3.03Å
220T91Very high85.3Confident63 Ų6365.8 Ų65.839%0.38734%0.344SS..Hα-helixtrans-59.2-55.4175.3-56.20000111.7E216 K217 T222 E223 E224E216-T220 PolarHBondContact O-N 3.4Å; E216-T220 PolarHBondContact O-OG1 3.03Å; K217-T220 PolarHBondContact O-N 2.89Å; T220-T222 PolarHBondContact O-N 3.33Å; T220-E223 PolarHBondContact O-N 3.45Å; T220-E223 VanDerWaalsContact O-N 3.09Å; T220-E224 HydrophobicContact CG2-CG 4.49Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.46Å; T220-E224 WeakPolarHBondContact O-CG 3.17Å; T220-E224 PolarHBondContact O-N 3.04Å
221D88.4Confident83.4Confident46 Ų4662.2 Ų62.225%0.24633%0.329CS..Hα-helixtrans-59.8-33.4-179.3-64.725.3000111.3Y186 K217 T225Y186-D221 WeakPolarHBondContact OH-CB 3.48Å; Y186-D221 PolarHBondContact OH-OD2 2.87Å; K217-D221 VanDerWaalsContact CE-OD2 3.28Å; K217-D221 WeakPolarHBondContact CE-OD2 3.44Å; K217-D221 IonicContact NZ-OD2 3.48Å; K217-D221 PolarHBondContact O-N 2.8Å; K217-D221 VanDerWaalsContact O-OD1 3.07Å; D221-T225 WeakPolarHBondContact O-CB 3.33Å; D221-T225 VanDerWaalsContact O-CG2 3.28Å; D221-T225 WeakPolarHBondContact O-CG2 3.36Å; D221-T225 PolarHBondContact O-N 3.34Å; D221-T225 VanDerWaalsContact O-N 3.07Å; D221-T225 PolarHBondContact O-OG1 3.39Å
222T86.5Confident81.4Confident0 Ų067.1 Ų67.10%036%0.355CS..Hα-helixtrans-76-37.4175.7-51.90000112.5L168 F173 W218 L219 T220 T225 L226L168-T222 HydrophobicContact CD1-CG2 3.87Å; F173-T222 HydrophobicContact CE2-CG2 3.91Å; F173-T222 HydrophobicContact CZ-CG2 3.75Å; W218-T222 VanDerWaalsContact CE2-OG1 3.32Å; W218-T222 HydrophobicContact CZ2-CG2 4.32Å; W218-T222 PolarHBondContact NE1-OG1 3.2Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.29Å; W218-T222 PolarHBondContact O-N 3.36Å; W218-T222 PolarHBondContact O-OG1 3.28Å; L219-T222 PolarHBondContact O-N 3.38Å; T220-T222 PolarHBondContact O-N 3.33Å; T222-T225 WeakPolarHBondContact CA-OG1 3.43Å; T222-T225 PolarHBondContact O-OG1 3.48Å; T222-L226 HydrophobicContact CG2-CD1 4.27Å; T222-L226 WeakPolarHBondContact O-CB 3.18Å; T222-L226 WeakPolarHBondContact O-CD1 3.28Å; T222-L226 VanDerWaalsContact O-CG 3.27Å; T222-L226 WeakPolarHBondContact O-CG 3.37Å; T222-L226 PolarHBondContact O-N 2.8Å; T222-L226 VanDerWaalsContact O-N 3.15Å
223E86Confident79.5Confident49 Ų4967.3 Ų67.323%0.22936%0.36CS..Hα-helixtrans-68.8-36.8175.1-76.4-175-177.700111.9Y160 T164 L168 L219 T220 K227Y160-E223 PolarHBondContact OH-OE1 2.88Å; T164-E223 HydrophobicContact CG2-CG 4.46Å; T164-E223 WeakPolarHBondContact CG2-OE1 3.47Å; L168-E223 HydrophobicContact CD2-CG 4.07Å; L219-E223 WeakPolarHBondContact O-CB 3.37Å; L219-E223 WeakPolarHBondContact O-CG 3.24Å; L219-E223 PolarHBondContact O-N 3.03Å; T220-E223 PolarHBondContact O-N 3.45Å; T220-E223 VanDerWaalsContact O-N 3.09Å; E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.21Å; E223-K227 PolarHBondContact O-N 3.13Å; E223-K227 VanDerWaalsContact O-N 3.11Å
224E84.5Confident77.2Confident101 Ų10170 Ų7047%0.47236%0.363SS..Hα-helixtrans-67.6-46.7174.3-72.6179.8-173.700112.3T220 L226 K227 N228T220-E224 HydrophobicContact CG2-CG 4.49Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.46Å; T220-E224 WeakPolarHBondContact O-CG 3.17Å; T220-E224 PolarHBondContact O-N 3.04Å; E224-L226 VanDerWaalsContact C-N 3.26Å; E224-L226 PolarHBondContact O-N 2.62Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; E224-N228 WeakPolarHBondContact O-CB 3.2Å; E224-N228 VanDerWaalsContact O-CG 3.25Å; E224-N228 PolarHBondContact O-N 2.9Å; E224-N228 PolarHBondContact O-ND2 2.88Å
225T80.5Confident74.5Confident47 Ų4769 Ų6929%0.28837%0.373SS..Hα-helixtrans-65.7-27.8178.448.90000113.2D221 T222 G229 T230 F231D221-T225 WeakPolarHBondContact O-CB 3.33Å; D221-T225 VanDerWaalsContact O-CG2 3.28Å; D221-T225 WeakPolarHBondContact O-CG2 3.36Å; D221-T225 PolarHBondContact O-N 3.34Å; D221-T225 VanDerWaalsContact O-N 3.07Å; D221-T225 PolarHBondContact O-OG1 3.39Å; T222-T225 WeakPolarHBondContact CA-OG1 3.43Å; T222-T225 PolarHBondContact O-OG1 3.48Å; T225-G229 PolarHBondContact O-N 3.33Å; T225-G229 VanDerWaalsContact O-N 3.13Å; T225-T230 PolarHBondContact O-N 2.94Å; T225-F231 HydrophobicContact CG2-CD2 4.26Å; T225-F231 WeakPolarHBondContact OG1-CD2 3.49Å
226L77.6Confident72.2Confident65 Ų6573.5 Ų73.534%0.3439%0.394SS..Hα-helixtrans-74.2-36.6170.6-72.8168.7000113.5L168 T222 E224 N228 G229 F231L168-L226 HydrophobicContact CB-CD1 3.88Å; L168-L226 HydrophobicContact CD2-CD1 3.36Å; L168-L226 HydrophobicContact CG-CD1 4.09Å; T222-L226 HydrophobicContact CG2-CD1 4.27Å; T222-L226 WeakPolarHBondContact O-CB 3.18Å; T222-L226 WeakPolarHBondContact O-CD1 3.28Å; T222-L226 VanDerWaalsContact O-CG 3.27Å; T222-L226 WeakPolarHBondContact O-CG 3.37Å; T222-L226 PolarHBondContact O-N 2.8Å; T222-L226 VanDerWaalsContact O-N 3.15Å; E224-L226 VanDerWaalsContact C-N 3.26Å; E224-L226 PolarHBondContact O-N 2.62Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-G229 PolarHBondContact O-N 3.11Å; L226-F231 HydrophobicContact CD2-CB 4.38Å
227K79Confident69.6Low157 Ų15778 Ų7868%0.68341%0.412SS*.Hα-helixtrans-63.7-38.4171.2-71.7163.8-170.9164.80111.4E223 E224 G229E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.21Å; E223-K227 PolarHBondContact O-N 3.13Å; E223-K227 VanDerWaalsContact O-N 3.11Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.27Å
228N70.5Confident66.9Low120 Ų12080.4 Ų80.464%0.64243%0.425SS*.THydrogen-bonded Turntrans-84.2-1.3-178.9-61-11.8000113.3E224 L226 T230E224-N228 WeakPolarHBondContact O-CB 3.2Å; E224-N228 VanDerWaalsContact O-CG 3.25Å; E224-N228 PolarHBondContact O-N 2.9Å; E224-N228 PolarHBondContact O-ND2 2.88Å; L226-N228 VanDerWaalsContact C-N 3.3Å; N228-T230 VanDerWaalsContact C-N 3.28Å; N228-T230 PolarHBondContact O-N 3.24Å; N228-T230 PolarHBondContact O-OG1 3.38Å
229G61.3Low64.4Low68 Ų6882.7 Ų82.770%0.70144%0.444SS*.THydrogen-bonded Turntrans70.910.217000000116.5T225 L226 K227T225-G229 PolarHBondContact O-N 3.33Å; T225-G229 VanDerWaalsContact O-N 3.13Å; L226-G229 PolarHBondContact O-N 3.11Å; K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.27Å
230T56.9Low62Low118 Ų11888.7 Ų88.772%0.72447%0.472SS*.  trans-106.810.2-168.3-16.40000114.7T225 N228 D232T225-T230 PolarHBondContact O-N 2.94Å; N228-T230 VanDerWaalsContact C-N 3.28Å; N228-T230 PolarHBondContact O-N 3.24Å; N228-T230 PolarHBondContact O-OG1 3.38Å; T230-D232 PolarHBondContact O-N 3.47Å
231F52.7Low59.7Low57 Ų5792.6 Ų92.625%0.2549%0.486CS..  trans-92.896.8-170.8-161.9-96.8000113.5F173 T225 L226 C233F173-F231 AromaticContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CZ 4.19Å; F173-F231 HydrophobicContact CZ-CD1 4.22Å; F173-F231 AromaticContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CE1 3.44Å; F173-F231 VanDerWaalsContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CZ 4.08Å; T225-F231 HydrophobicContact CG2-CD2 4.26Å; T225-F231 WeakPolarHBondContact OG1-CD2 3.49Å; L226-F231 HydrophobicContact CD2-CB 4.38Å; F231-C233 HydrophobicContact CD1-CB 3.97Å; F231-C233 HydrophobicContact CE1-CB 3.2Å; F231-C233 HydrophobicContact CZ-CB 3.63Å
232D50.9Low57.5Low113 Ų11398.3 Ų98.360%0.60451%0.511SS*.  trans-99.3127.6157.4-168.8-3.3000110T230 K234T230-D232 PolarHBondContact O-N 3.47Å; D232-K234 PolarHBondContact OD1-N 3.32Å
233C54.1Low55.3Low29 Ų29103.7 Ų103.720%0.19654%0.536CS..  trans-132.215.3176.6-176.50000111.6F231F231-C233 HydrophobicContact CD1-CB 3.97Å; F231-C233 HydrophobicContact CE1-CB 3.2Å; F231-C233 HydrophobicContact CZ-CB 3.63Å
234K44.5Very low53.2Low134 Ų134108.3 Ų108.358%0.58356%0.563SS**  trans-109.9-4.3177.2-80-166.5168.7-177.90114.3T171 D232 E236 K237T171-K234 HydrophobicContact CG2-CD 3.88Å; T171-K234 VanDerWaalsContact CG2-NZ 3.34Å; D232-K234 PolarHBondContact OD1-N 3.32Å; K234-E236 PolarHBondContact O-N 3.1Å; K234-K237 PolarHBondContact O-N 3.26Å
235S36.9Very low51.3Low88 Ų88110.9 Ų110.962%0.61558%0.58SS**THydrogen-bonded Turntrans-65.759.1172.867.80000113.9
236E45Very low49.4Very low96 Ų96117.5 Ų117.545%0.44961%0.607SS.*THydrogen-bonded Turntrans-154-30.5168.4-143.4165.2-156.800110.6R184 K234 Q238 A239R184-E236 IonicContact CZ-OE2 3.04Å; R184-E236 IonicContact NE-OE2 2.69Å; R184-E236 IonicContact NH2-OE2 3.49Å; R184-E236 PolarHBondContact NH2-OE2 3.11Å; K234-E236 PolarHBondContact O-N 3.1Å; E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 3.35Å; E236-A239 PolarHBondContact O-N 3.35Å
237K40.4Very low47.8Very low173 Ų173117.7 Ų117.775%0.75261%0.609SS**THydrogen-bonded Turntrans-79.72.4176.9-80.6-162170.7-164.20116.4K234K234-K237 PolarHBondContact O-N 3.26Å
238Q34.1Very low45.8Very low159 Ų159118.8 Ų118.874%0.74361%0.613SS**THydrogen-bonded Turntrans-123.3-4.1171.1-64.7-171.3-8600112.4E236E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 3.35Å
239A39Very low44.3Very low48 Ų48121.9 Ų121.940%0.39762%0.616SS.*THydrogen-bonded Turntrans-78.2-33.7167.800000110.9E236 E241 E242 E243E236-A239 PolarHBondContact O-N 3.35Å; A239-E241 PolarHBondContact O-N 2.8Å; A239-E242 PolarHBondContact O-N 3.3Å; A239-E243 PolarHBondContact O-N 2.9Å; A239-E243 VanDerWaalsContact O-N 3.1Å
240E41.8Very low43.3Very low132 Ų132124.3 Ų124.362%0.61761%0.613SS**THydrogen-bonded Turntrans-62.5-7.7177.8-68.3176.2153.800114.8
241E43.2Very low42.8Very low145 Ų145122.2 Ų122.268%0.67861%0.608SS**THydrogen-bonded Turntrans-110.4-9.3175.7-69.4-174.5157.500114.1A239A239-E241 PolarHBondContact O-N 2.8Å
242E41.4Very low42.7Very low165 Ų165121.3 Ų121.377%0.77162%0.615SS**THydrogen-bonded Turntrans-107.3-22.1173.4-75.1-172.9144.900113.2A239 D244A239-E242 PolarHBondContact O-N 3.3Å; E242-D244 VanDerWaalsContact C-N 3.27Å; E242-D244 PolarHBondContact O-N 3.48Å
243E41.1Very low42.9Very low113 Ų113118.1 Ų118.153%0.52860%0.604SS.*G310 helixtrans-68.4-19.5177.6-107.7-166.5117.700114.7A239 N245 N247A239-E243 PolarHBondContact O-N 2.9Å; A239-E243 VanDerWaalsContact O-N 3.1Å; E243-N245 PolarHBondContact O-N 2.8Å; E243-N247 WeakPolarHBondContact O-CB 3.14Å; E243-N247 PolarHBondContact O-N 3.49Å; E243-N247 PolarHBondContact O-ND2 2.94Å; E243-N247 PolarHBondContact OE1-ND2 3.26Å
244D41.7Very low42.9Very low147 Ų147121.5 Ų121.579%0.78662%0.62SS**G310 helixtrans-66.6-14.1-178-88.5-8.2000113.8E242E242-D244 VanDerWaalsContact C-N 3.27Å; E242-D244 PolarHBondContact O-N 3.48Å
245N45.3Very low43.3Very low154 Ų154119.8 Ų119.882%0.82462%0.617SS**G310 helixtrans-105.9-18.6-174.8-134.9-3.9000114.4E243E243-N245 PolarHBondContact O-N 2.8Å
246E40.9Very low44.5Very low186 Ų186121.2 Ų121.287%0.86962%0.617SS**THydrogen-bonded Turntrans-103-22.7174.4-72.3-162.8130.200113.4K248E246-K248 PolarHBondContact O-N 3.14Å
247N43.3Very low45.2Very low70 Ų70118.9 Ų118.937%0.37462%0.615SS.*  trans-79.846.7175.1-78.8-48.9000113.5E243 W249E243-N247 WeakPolarHBondContact O-CB 3.14Å; E243-N247 PolarHBondContact O-N 3.49Å; E243-N247 PolarHBondContact O-ND2 2.94Å; E243-N247 PolarHBondContact OE1-ND2 3.26Å; N247-W249 VanDerWaalsContact O-CD1 3.22Å; N247-W249 PolarHBondContact O-N 2.82Å
248K36.2Very low46.3Very low179 Ų179114.2 Ų114.278%0.77860%0.597SS**  trans-73.173.9164.4-170178.81791770109.6E246 N250E246-K248 PolarHBondContact O-N 3.14Å; K248-N250 PolarHBondContact O-N 3.3Å
249W40.6Very low47.9Very low186 Ų186109.1 Ų109.171%0.70558%0.579SS**  trans-55107.4167.5-68.490.3000108.4N247 A251N247-W249 VanDerWaalsContact O-CD1 3.22Å; N247-W249 PolarHBondContact O-N 2.82Å; W249-A251 PolarHBondContact O-N 2.9Å
250N40.3Very low49.2Very low118 Ų118109.4 Ų109.463%0.63158%0.581SS**  trans-56.7123.1167-72.7-44.4000106.8K248 G252 A253K248-N250 PolarHBondContact O-N 3.3Å; N250-G252 PolarHBondContact O-N 2.95Å; N250-A253 WeakPolarHBondContact O-CB 3.35Å; N250-A253 PolarHBondContact O-N 2.89Å
251A46.2Very low50.3Low74 Ų74109 Ų10961%0.61258%0.583SS**Hα-helixtrans-51.8-38.1-172.600000112.8W249 A253 L254 D255W249-A251 PolarHBondContact O-N 2.9Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 3.34Å; A251-L254 WeakPolarHBondContact O-CB 3.37Å; A251-L254 PolarHBondContact O-N 3.42Å; A251-D255 PolarHBondContact O-N 2.73Å
252G50.1Low51.4Low39 Ų39108 Ų10840%0.40258%0.578SS.*Hα-helixtrans-58.6-31.6174.700000114.9N250 L254 D255 D256N250-G252 PolarHBondContact O-N 2.95Å; G252-L254 VanDerWaalsContact C-N 3.28Å; G252-L254 PolarHBondContact O-N 3.45Å; G252-D255 PolarHBondContact O-N 2.69Å; G252-D256 VanDerWaalsContact O-CB 3.3Å; G252-D256 WeakPolarHBondContact O-CB 3.49Å; G252-D256 PolarHBondContact O-N 2.78Å
253A54.3Low52.5Low45 Ų45106.2 Ų106.237%0.37257%0.57SS.*Hα-helixtrans-70-25.6177.100000112.9N250 A251 A257N250-A253 WeakPolarHBondContact O-CB 3.35Å; N250-A253 PolarHBondContact O-N 2.89Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 3.34Å; A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.33Å; A253-A257 VanDerWaalsContact O-N 3.17Å
254L54.1Low53.5Low101 Ų101103 Ų10353%0.52956%0.562SS.*Hα-helixtrans-77.1-43.4172.4-176.963.2000110.6A251 G252 A257 I258A251-L254 WeakPolarHBondContact O-CB 3.37Å; A251-L254 PolarHBondContact O-N 3.42Å; G252-L254 VanDerWaalsContact C-N 3.28Å; G252-L254 PolarHBondContact O-N 3.45Å; L254-A257 PolarHBondContact O-N 3.44Å; L254-I258 HydrophobicContact CD1-CD1 4.29Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 WeakPolarHBondContact O-CB 3.35Å; L254-I258 VanDerWaalsContact O-CG1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.41Å; L254-I258 PolarHBondContact O-N 2.98Å
255D54.1Low54.4Low98 Ų9898.2 Ų98.252%0.52454%0.543SS..Hα-helixtrans-64.6-37.6175.3-71.5-43.5000112.4A251 G252 I258 S259A251-D255 PolarHBondContact O-N 2.73Å; G252-D255 PolarHBondContact O-N 2.69Å; D255-I258 PolarHBondContact O-N 3Å; D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.03Å; D255-S259 PolarHBondContact O-OG 2.75Å
256D62.5Low55Low117 Ų11795.4 Ų95.463%0.62653%0.527SS*.Hα-helixtrans-63.9-42.2172.2-74.7-27.8000111.2G252 S259 A260G252-D256 VanDerWaalsContact O-CB 3.3Å; G252-D256 WeakPolarHBondContact O-CB 3.49Å; G252-D256 PolarHBondContact O-N 2.78Å; D256-S259 PolarHBondContact O-N 3.31Å; D256-A260 VanDerWaalsContact O-CB 3.3Å; D256-A260 WeakPolarHBondContact O-CB 3.21Å; D256-A260 PolarHBondContact O-N 3.37Å
257A58Low55.6Low47 Ų4789.4 Ų89.439%0.38851%0.505SS..Hα-helixtrans-69.6-37.9177.700000112.7A253 L254 L261A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.33Å; A253-A257 VanDerWaalsContact O-N 3.17Å; L254-A257 PolarHBondContact O-N 3.44Å; A257-L261 WeakPolarHBondContact O-CB 3.43Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.44Å
258I63.5Low56.2Low76 Ų7690.7 Ų90.739%0.3951%0.512SS..Hα-helixtrans-64.4-48.3172.4-70.7166.3000109.4L254 D255 A260 L261 E262L254-I258 HydrophobicContact CD1-CD1 4.29Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 WeakPolarHBondContact O-CB 3.35Å; L254-I258 VanDerWaalsContact O-CG1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.41Å; L254-I258 PolarHBondContact O-N 2.98Å; D255-I258 PolarHBondContact O-N 3Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.99Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 PolarHBondContact O-N 3.08Å; I258-L261 VanDerWaalsContact O-N 3.08Å; I258-E262 HydrophobicContact CG2-CG 4.46Å; I258-E262 PolarHBondContact O-N 2.98Å
259S69.4Low57.2Low51 Ų5187.2 Ų87.236%0.35750%0.501SS..Hα-helixtrans-59.4-40.5177.3-61.70000112.3D255 D256 Q263D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.03Å; D255-S259 PolarHBondContact O-OG 2.75Å; D256-S259 PolarHBondContact O-N 3.31Å; S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.34Å; S259-Q263 PolarHBondContact O-N 3.38Å
260A65.9Low57.6Low54 Ų5484.7 Ų84.745%0.44650%0.495SS..Hα-helixtrans-67.5-37.2174.900000112.5D256 I258 A264D256-A260 VanDerWaalsContact O-CB 3.3Å; D256-A260 WeakPolarHBondContact O-CB 3.21Å; D256-A260 PolarHBondContact O-N 3.37Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.99Å; A260-A264 VanDerWaalsContact O-CB 3.29Å; A260-A264 WeakPolarHBondContact O-CB 3.29Å; A260-A264 PolarHBondContact O-N 3.17Å
261L64.5Low58.3Low124 Ų12486.3 Ų86.365%0.64949%0.493SS*.Hα-helixtrans-70.4-38174.9-80.8168.3000112.5A257 I258 A264 A265A257-L261 WeakPolarHBondContact O-CB 3.43Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.44Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 PolarHBondContact O-N 3.08Å; I258-L261 VanDerWaalsContact O-N 3.08Å; L261-A264 PolarHBondContact O-N 2.61Å; L261-A265 VanDerWaalsContact O-CB 3.29Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 2.9Å
262E66.4Low58.7Low124 Ų12489 Ų8958%0.57950%0.496SS*.Hα-helixtrans-64.5-46.4172.9-73.2-167.1151.900111.1I258 A264 A265 I266I258-E262 HydrophobicContact CG2-CG 4.46Å; I258-E262 PolarHBondContact O-N 2.98Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.48Å; E262-A265 PolarHBondContact O-N 3.42Å; E262-A265 VanDerWaalsContact O-N 3.17Å; E262-I266 WeakPolarHBondContact O-CB 3.36Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.21Å
263Q64.6Low58.8Low128 Ų12894.7 Ų94.760%0.59851%0.512SS*.Hα-helixtrans-58.8-44173.3-72.91744900111.6S259 A265 I266 C267S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.34Å; S259-Q263 PolarHBondContact O-N 3.38Å; Q263-A265 PolarHBondContact O-N 3.23Å; Q263-I266 PolarHBondContact O-N 2.98Å; Q263-C267 WeakPolarHBondContact O-CB 3.48Å; Q263-C267 PolarHBondContact O-N 3.24Å; Q263-C267 PolarHBondContact O-SG 2.72Å
264A61.6Low58.3Low45 Ų4595.2 Ų95.237%0.37251%0.513SS..Hα-helixtrans-65.9-34.517600000113.1A260 L261 E262 N268A260-A264 VanDerWaalsContact O-CB 3.29Å; A260-A264 WeakPolarHBondContact O-CB 3.29Å; A260-A264 PolarHBondContact O-N 3.17Å; L261-A264 PolarHBondContact O-N 2.61Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.48Å; A264-N268 WeakPolarHBondContact O-CB 3.49Å; A264-N268 PolarHBondContact O-N 3.46Å; A264-N268 PolarHBondContact O-ND2 3.44Å
265A61Low57.9Low47 Ų47102.8 Ų102.839%0.38854%0.535SS..Hα-helixtrans-69.1-46.1174.600000111.2L261 E262 Q263 C267 N268 I269L261-A265 VanDerWaalsContact O-CB 3.29Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 2.9Å; E262-A265 PolarHBondContact O-N 3.42Å; E262-A265 VanDerWaalsContact O-N 3.17Å; Q263-A265 PolarHBondContact O-N 3.23Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 2.84Å; A265-N268 PolarHBondContact O-N 3.19Å; A265-N268 VanDerWaalsContact O-N 3.17Å; A265-I269 WeakPolarHBondContact O-CB 3.37Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.04Å
266I57.1Low57.4Low95 Ų95102.9 Ų102.949%0.48753%0.528SS..Hα-helixtrans-58.3-45.5174.3-68.3163.8000110.1E262 Q263 N268 I269 F270E262-I266 WeakPolarHBondContact O-CB 3.36Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.21Å; Q263-I266 PolarHBondContact O-N 2.98Å; I266-N268 PolarHBondContact O-N 2.89Å; I266-I269 PolarHBondContact O-N 3.15Å; I266-F270 HydrophobicContact CG2-CD2 4.18Å; I266-F270 WeakPolarHBondContact O-CB 3.41Å; I266-F270 PolarHBondContact O-N 2.68Å
267C54.7Low56.9Low60 Ų60102.6 Ų102.641%0.40553%0.526SS..Hα-helixtrans-61.6-41.6175-71.90000112.7Q263 A265 W271Q263-C267 WeakPolarHBondContact O-CB 3.48Å; Q263-C267 PolarHBondContact O-N 3.24Å; Q263-C267 PolarHBondContact O-SG 2.72Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 2.84Å; C267-W271 WeakPolarHBondContact O-CB 3.36Å; C267-W271 PolarHBondContact O-N 3.27Å
268N55.5Low56.4Low96 Ų96109.6 Ų109.651%0.51354%0.543SS..Hα-helixtrans-68.5-36176.5-86.1-69.2000113A264 A265 I266 N272A264-N268 WeakPolarHBondContact O-CB 3.49Å; A264-N268 PolarHBondContact O-N 3.46Å; A264-N268 PolarHBondContact O-ND2 3.44Å; A265-N268 PolarHBondContact O-N 3.19Å; A265-N268 VanDerWaalsContact O-N 3.17Å; I266-N268 PolarHBondContact O-N 2.89Å; N268-N272 PolarHBondContact O-N 3.48Å; N268-N272 VanDerWaalsContact O-N 3.09Å; N268-N272 PolarHBondContact O-ND2 3.11Å
269I56.9Low55.9Low107 Ų107112 Ų11255%0.54956%0.556SS.*Hα-helixtrans-66.1-50.7174.1-68.6164.7000109.2A265 I266 W271 N272 H273A265-I269 WeakPolarHBondContact O-CB 3.37Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.04Å; I266-I269 PolarHBondContact O-N 3.15Å; I269-W271 VanDerWaalsContact C-N 3.3Å; I269-W271 PolarHBondContact O-N 3.46Å; I269-N272 PolarHBondContact O-N 3.44Å; I269-H273 WeakPolarHBondContact O-CB 3.39Å; I269-H273 PolarHBondContact O-N 3.09Å
270F48.9Very low55Low132 Ų132117.1 Ų117.158%0.57957%0.567SS**Hα-helixtrans-60.9-36.1176.6-100.2-95.6000113.5I266I266-F270 HydrophobicContact CG2-CD2 4.18Å; I266-F270 WeakPolarHBondContact O-CB 3.41Å; I266-F270 PolarHBondContact O-N 2.68Å
271W55.2Low54.1Low153 Ų153119.7 Ų119.758%0.5857%0.565SS**Hα-helixtrans-66.6-39.4176.8-176-89.9000112.9C267 I269C267-W271 WeakPolarHBondContact O-CB 3.36Å; C267-W271 PolarHBondContact O-N 3.27Å; I269-W271 VanDerWaalsContact C-N 3.3Å; I269-W271 PolarHBondContact O-N 3.46Å
272N54.6Low53.6Low129 Ų129118.5 Ų118.569%0.6956%0.56SS**Hα-helixtrans-84.8-34.4179.6-77-79.8000113.2N268 I269 S274N268-N272 PolarHBondContact O-N 3.48Å; N268-N272 VanDerWaalsContact O-N 3.09Å; N268-N272 PolarHBondContact O-ND2 3.11Å; I269-N272 PolarHBondContact O-N 3.44Å; N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.42Å
273H51.9Low53Low160 Ų160116.7 Ų116.774%0.74156%0.561SS**Hα-helixtrans-86.9-1.8-169.6-144.2-96.1000114.2I269I269-H273 WeakPolarHBondContact O-CB 3.39Å; I269-H273 PolarHBondContact O-N 3.09Å
274S45.2Very low52.2Low56 Ų56117.1 Ų117.139%0.39256%0.561SS.*SBendtrans-152.7131.5175.9-73.80000111.9N272 W276N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.42Å; S274-W276 PolarHBondContact O-N 2.91Å
275R45.3Very low51.2Low260 Ų260122.5 Ų122.598%0.98157%0.572SS**  trans-73.543.9-176.5-140.2178.9-160.5174.54.6112.2N277R275-N277 PolarHBondContact O-N 3.21Å
276W43.6Very low50.5Low99 Ų99124.5 Ų124.538%0.37558%0.579SS.*  trans-60.5121.4-175-74.390.7000110.1S274 R278 R280S274-W276 PolarHBondContact O-N 2.91Å; W276-R278 PolarHBondContact O-N 3.37Å; W276-R280 HydrophobicContact CE3-CB 4.08Å; W276-R280 HydrophobicContact CE3-CG 3.74Å; W276-R280 VanDerWaalsContact CZ3-CD 3.41Å; W276-R280 HydrophobicContact CZ3-CG 3.72Å; W276-R280 VanDerWaalsContact CZ3-CZ 3.47Å; W276-R280 VanDerWaalsContact CZ3-NH1 3.26Å
277N50.7Low49.7Very low111 Ų111125.4 Ų125.459%0.59459%0.592SS**  trans-57.2131.7173.8-164.8-7.3000108.8R275 L279 R280 W281R275-N277 PolarHBondContact O-N 3.21Å; N277-L279 PolarHBondContact O-N 3.11Å; N277-R280 WeakPolarHBondContact O-CB 3.27Å; N277-R280 PolarHBondContact O-N 3.26Å; N277-W281 PolarHBondContact O-N 3.35Å
278R49Very low48.9Very low194 Ų194129.2 Ų129.273%0.73261%0.613SS**Hα-helixtrans-53.1-31.8-168.7-159-179.6-155.4-164.46.1113.2W276 N282W276-R278 PolarHBondContact O-N 3.37Å; R278-N282 PolarHBondContact O-N 3.05Å
279L51.8Low47.9Very low126 Ų126131.5 Ų131.566%0.6663%0.625SS**Hα-helixtrans-64.1-40.7175.5-63.8165.7000112.8N277 N282 S283N277-L279 PolarHBondContact O-N 3.11Å; L279-N282 PolarHBondContact O-N 2.72Å; L279-S283 PolarHBondContact O-N 3.46Å; L279-S283 PolarHBondContact O-OG 2.82Å
280R51.1Low46.7Very low160 Ų160133.1 Ų133.160%0.60464%0.64SS**Hα-helixtrans-76.1-26-178.6-158.7173.4-175-149.76.8112.4W276 N277 S283 F284W276-R280 HydrophobicContact CE3-CB 4.08Å; W276-R280 HydrophobicContact CE3-CG 3.74Å; W276-R280 VanDerWaalsContact CZ3-CD 3.41Å; W276-R280 HydrophobicContact CZ3-CG 3.72Å; W276-R280 VanDerWaalsContact CZ3-CZ 3.47Å; W276-R280 VanDerWaalsContact CZ3-NH1 3.26Å; N277-R280 WeakPolarHBondContact O-CB 3.27Å; N277-R280 PolarHBondContact O-N 3.26Å; R280-S283 PolarHBondContact O-N 2.82Å; R280-F284 WeakPolarHBondContact O-CB 3.32Å; R280-F284 PolarHBondContact O-N 2.81Å
281W47Very low45.9Very low107 Ų107132.4 Ų132.441%0.40565%0.651SS.*Hα-helixtrans-63.6-48.7169.2-171.2101.7000110.8N277 S283 F284 W285N277-W281 PolarHBondContact O-N 3.35Å; W281-S283 VanDerWaalsContact C-N 3.27Å; W281-S283 PolarHBondContact O-N 3Å; W281-F284 PolarHBondContact O-N 3.1Å; W281-W285 PolarHBondContact O-N 3.17Å
282N53.7Low45Very low100 Ų100130 Ų13054%0.53566%0.663SS.*Hα-helixtrans-63-30.3176.7-76.4-6.9000113R278 L279R278-N282 PolarHBondContact O-N 3.05Å; L279-N282 PolarHBondContact O-N 2.72Å
283S54.4Low44Very low86 Ų86132.1 Ų132.160%0.60167%0.674SS**Hα-helixtrans-81.1-22.4175.6-57.70000114.6L279 R280 W281L279-S283 PolarHBondContact O-N 3.46Å; L279-S283 PolarHBondContact O-OG 2.82Å; R280-S283 PolarHBondContact O-N 2.82Å; W281-S283 VanDerWaalsContact C-N 3.27Å; W281-S283 PolarHBondContact O-N 3Å
284F47Very low43.1Very low136 Ų136129 Ų12960%0.59668%0.676SS**Hα-helixtrans-79.9-30.1177.3-169.3-88.3000111.7R280 W281R280-F284 WeakPolarHBondContact O-CB 3.32Å; R280-F284 PolarHBondContact O-N 2.81Å; W281-F284 PolarHBondContact O-N 3.1Å
285W40.9Very low42.6Very low158 Ų158133.6 Ų133.660%0.59870%0.696SS**THydrogen-bonded Turntrans-110.443.8179.5-63.1101.6000112.6W281W281-W285 PolarHBondContact O-N 3.17Å
286T45.6Very low41.9Very low90 Ų90127.7 Ų127.755%0.55269%0.693SS**  trans-75.2124.9161.150.60000109.1V288T286-V288 PolarHBondContact O-N 3.42Å
287P40.2Very low41.2Very low114 Ų114126 Ų12674%0.7471%0.707SS**  trans-58.9122176.5-2333.4000110.9N289P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 2.87Å
288V38.2Very low40.4Very low140 Ų140126.7 Ų126.785%0.84872%0.72SS**  trans-73.686.8172.8179.90000108T286T286-V288 PolarHBondContact O-N 3.42Å
289N34.1Very low39.7Very low144 Ų144122.1 Ų122.177%0.7772%0.718SS**  trans-151.547.3177.9-150.96.9000114.8P287P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 2.87Å
290T33Very low38.8Very low141 Ų141122.1 Ų122.187%0.86572%0.719SS**SBendtrans-152.672.5166.951.30000112.3
291S32.1Very low38Very low117 Ų117120.4 Ų120.482%0.81872%0.721SS**SBendtrans-158.127.8169.763.30000115
292A35.4Very low37.5Very low101 Ų101122.3 Ų122.384%0.83574%0.739SS**  trans-131.923.4-175.100000114.7
293L34.1Very low36.9Very low175 Ų175125.4 Ų125.492%0.91676%0.756SS**  trans-121.260.2168.8-96.8164.7000110.6
294A33Very low35.8Very low93 Ų93128.9 Ų128.977%0.76977%0.768SS**  trans-89.289.7160.700000108.6
295N35Very low35.5Very low153 Ų153127.2 Ų127.282%0.81877%0.773SS**  trans-175123.5151.7-102.2-17.9000112.3
296C29.1Very low35.1Very low137 Ų137124.8 Ų124.893%0.92678%0.78SS**  trans56.2125.9156.9-152.10000118.7
297G30.9Very low34.4Very low64 Ų64130.3 Ų130.366%0.6680%0.797SS**  cis170.6154.8-2.500000111.9
298S32.2Very low34Very low124 Ų124129.6 Ų129.687%0.86780%0.795SS**  trans45.3122.3157.1-65.60000122.2
299S34.3Very low33.9Very low99 Ų99134.9 Ų134.969%0.69280%0.799SS**  94.996.3127.7-156.50000118.9
300N32.7Very low34Very low126 Ų126132 Ų13267%0.67479%0.79SS**  86.1132.3122.4-7837.8000122.1
301D34.7Very low34.1Very low123 Ų123130.4 Ų130.466%0.65879%0.785SS**  trans74.9114142.4-48.2-18.8000119
302D37.1Very low34.2Very low147 Ų147134.1 Ų134.179%0.78679%0.787SS**  trans47.4109.6141.4-49.9-33.1000119.7
303D40.6Very low34.4Very low166 Ų166136 Ų13689%0.88878%0.783SS**  -172.9155.4103.1-109.7-37.3000114.6S305D303-S305 PolarHBondContact O-N 3.12Å
304D32.5Very low34.4Very low159 Ų159134.5 Ų134.585%0.8577%0.771SS**  trans-73.8115.6-177.1-166.7-7.8000111.9
305S39.2Very low34.3Very low101 Ų101141.6 Ų141.671%0.70678%0.778SS**  trans-147.1129.7165.662.60000113.9D303 F307D303-S305 PolarHBondContact O-N 3.12Å; S305-F307 PolarHBondContact O-N 3.41Å
306S33Very low34.4Very low106 Ų106138.1 Ų138.174%0.74176%0.759SS**  trans-68.6111.3-173.156.90000113.7
307F30.4Very low34.9Very low207 Ų207135.8 Ų135.891%0.90875%0.745SS**  trans-117.989.4158.9-107-89.7000111.7S305 R309S305-F307 PolarHBondContact O-N 3.41Å; F307-R309 PolarHBondContact O-N 2.88Å
308S33.3Very low35.4Very low99 Ų99136.7 Ų136.769%0.69274%0.737SS**  trans-67.188.5178.2-71.80000112S310S308-S310 VanDerWaalsContact O-CB 3.27Å; S308-S310 WeakPolarHBondContact O-CB 3.4Å; S308-S310 PolarHBondContact O-N 3.44Å; S308-S310 PolarHBondContact O-OG 3.22Å
309R34.9Very low36Very low251 Ų251132.8 Ų132.895%0.94771%0.71SS**SBend27.632.9127.6-150.7169.9174.3170.2-2.6119.5F307F307-R309 PolarHBondContact O-N 2.88Å
310S35.5Very low36.2Very low83 Ų83135.6 Ų135.658%0.5871%0.706SS**  trans-114.8-23.4-171.765.40000114.2S308 F312S308-S310 VanDerWaalsContact O-CB 3.27Å; S308-S310 WeakPolarHBondContact O-CB 3.4Å; S308-S310 PolarHBondContact O-N 3.44Å; S308-S310 PolarHBondContact O-OG 3.22Å; S310-F312 VanDerWaalsContact C-N 3.26Å; S310-F312 PolarHBondContact O-N 2.86Å
311S36Very low36.3Very low108 Ų108135.3 Ų135.376%0.75570%0.7SS**G310 helixtrans-71.7-9.4-172.1-55.50000115.8
312F33.5Very low36.8Very low195 Ų195132.6 Ų132.686%0.85569%0.691SS**G310 helixtrans-92.61.5-178.5-122.6-91.5000115S310S310-F312 VanDerWaalsContact C-N 3.26Å; S310-F312 PolarHBondContact O-N 2.86Å
313N39.5Very low37Very low139 Ų139131.2 Ų131.274%0.74368%0.679SS**G310 helixtrans-100.72.5176.6-70.6-33000113.8
314H34.6Very low37.2Very low145 Ų145128.4 Ų128.467%0.67166%0.661SS**  trans-84.7-14.9-177.3-142.5121.6000113.8
315W30.7Very low37.8Very low242 Ų242125.1 Ų125.192%0.91765%0.646SS**SBendtrans-89.3104.1155.1-88.8-0.8000106.4
316N38.1Very low38.1Very low80 Ų80125.6 Ų125.643%0.42864%0.641SS.*SBend-155.17.456.6-142.3-23.1000114.1T318 S319 W320N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.26Å; N316-S319 PolarHBondContact O-N 3.43Å; N316-S319 VanDerWaalsContact O-N 3.1Å; N316-S319 WeakPolarHBondContact OD1-CB 3.34Å; N316-S319 PolarHBondContact OD1-OG 2.92Å; N316-W320 PolarHBondContact O-N 3.49Å
317S37.9Very low38.5Very low88 Ų88127.1 Ų127.162%0.61563%0.634SS**Hα-helixtrans-59.9-36.2-170.3-164.60000113.5H321S317-H321 PolarHBondContact O-N 2.88Å
318T41.6Very low38.9Very low82 Ų82119.7 Ų119.750%0.50361%0.611SS.*Hα-helixtrans-72.5-34.8177.6-25.50000112.5N316 H321 S322N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.26Å; T318-H321 PolarHBondContact O-N 3.01Å; T318-S322 PolarHBondContact O-N 3.08Å; T318-S322 PolarHBondContact O-OG 2.98Å
319S45.3Very low39.2Very low43 Ų43118.5 Ų118.530%0.30160%0.602SS.*Hα-helixtrans-74.2-34.2177.2126.80000111.6N316 H321 S322 Q323N316-S319 PolarHBondContact O-N 3.43Å; N316-S319 VanDerWaalsContact O-N 3.1Å; N316-S319 WeakPolarHBondContact OD1-CB 3.34Å; N316-S319 PolarHBondContact OD1-OG 2.92Å; S319-H321 VanDerWaalsContact C-N 3.31Å; S319-H321 PolarHBondContact O-N 2.73Å; S319-S322 PolarHBondContact O-N 3.49Å; S319-Q323 WeakPolarHBondContact O-CB 3.41Å; S319-Q323 VanDerWaalsContact O-CG 3.3Å; S319-Q323 WeakPolarHBondContact O-CG 3.18Å; S319-Q323 PolarHBondContact O-N 2.89Å
320W38Very low39.7Very low158 Ų158111.5 Ų111.560%0.59858%0.582SS**Hα-helixtrans-63.2-35.3168.6-82.580.6000112.4N316 Q324N316-W320 PolarHBondContact O-N 3.49Å; W320-Q324 WeakPolarHBondContact O-CB 3.35Å; W320-Q324 VanDerWaalsContact O-CG 3.23Å; W320-Q324 WeakPolarHBondContact O-CG 3.49Å; W320-Q324 PolarHBondContact O-N 3.43Å; W320-Q324 PolarHBondContact O-NE2 3.35Å
321H35.9Very low39.8Very low120 Ų120111.2 Ų111.256%0.55658%0.575SS**Hα-helixtrans-71-45.3171.7-92.281.7000112.3S317 T318 S319 Q323 Q324 V325S317-H321 PolarHBondContact O-N 2.88Å; T318-H321 PolarHBondContact O-N 3.01Å; S319-H321 VanDerWaalsContact C-N 3.31Å; S319-H321 PolarHBondContact O-N 2.73Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 2.88Å; H321-Q324 CarbonylContact O-C 3.57Å; H321-Q324 PolarHBondContact O-N 3.49Å; H321-Q324 VanDerWaalsContact O-N 3.12Å; H321-V325 WeakPolarHBondContact O-CG2 3.47Å; H321-V325 PolarHBondContact O-N 3.49Å
322S44.2Very low40.1Very low66 Ų66111.9 Ų111.946%0.46257%0.574SS.*Hα-helixtrans-61.7-39.1175.8-67.50000112.8T318 S319 V325 L326T318-S322 PolarHBondContact O-N 3.08Å; T318-S322 PolarHBondContact O-OG 2.98Å; S319-S322 PolarHBondContact O-N 3.49Å; S322-V325 PolarHBondContact O-N 2.81Å; S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.31Å; S322-L326 WeakPolarHBondContact O-CG 3.44Å; S322-L326 PolarHBondContact O-N 2.87Å
323Q43.1Very low40.5Very low118 Ų118107.8 Ų107.855%0.55157%0.565SS**Hα-helixtrans-66.2-37173.1-73.4-179.82800112S319 H321 K327S319-Q323 WeakPolarHBondContact O-CB 3.41Å; S319-Q323 VanDerWaalsContact O-CG 3.3Å; S319-Q323 WeakPolarHBondContact O-CG 3.18Å; S319-Q323 PolarHBondContact O-N 2.89Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 2.88Å; Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.36Å
324Q43Very low40.6Very low107 Ų107104.5 Ų104.550%0.555%0.55SS..Hα-helixtrans-70.7-36.3174.8-77.7172.3100.800112.7W320 H321 K327 A328W320-Q324 WeakPolarHBondContact O-CB 3.35Å; W320-Q324 VanDerWaalsContact O-CG 3.23Å; W320-Q324 WeakPolarHBondContact O-CG 3.49Å; W320-Q324 PolarHBondContact O-N 3.43Å; W320-Q324 PolarHBondContact O-NE2 3.35Å; H321-Q324 CarbonylContact O-C 3.57Å; H321-Q324 PolarHBondContact O-N 3.49Å; H321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-K327 PolarHBondContact O-N 3.48Å; Q324-A328 VanDerWaalsContact O-CB 3.27Å; Q324-A328 WeakPolarHBondContact O-CB 3.38Å; Q324-A328 PolarHBondContact O-N 2.76Å
325V46.3Very low41Very low89 Ų89100.3 Ų100.354%0.53954%0.536SS..Hα-helixtrans-69.3-45.7175.2171.50000110.8H321 S322 K327 A328 S329H321-V325 WeakPolarHBondContact O-CG2 3.47Å; H321-V325 PolarHBondContact O-N 3.49Å; S322-V325 PolarHBondContact O-N 2.81Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 3.11Å; V325-A328 PolarHBondContact O-N 3.05Å; V325-S329 PolarHBondContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.37Å
326L44.2Very low41.3Very low112 Ų11291 Ų9159%0.58651%0.507SS*.Hα-helixtrans-61.1-41173.6-73.4168.8000111.6S322 S329 I330S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.31Å; S322-L326 WeakPolarHBondContact O-CG 3.44Å; S322-L326 PolarHBondContact O-N 2.87Å; L326-S329 PolarHBondContact O-N 2.84Å; L326-I330 WeakPolarHBondContact O-CB 3.23Å; L326-I330 WeakPolarHBondContact O-CD1 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.09Å; L326-I330 PolarHBondContact O-N 3.46Å
327K42.1Very low41.8Very low137 Ų13797.7 Ų97.760%0.59653%0.526SS*.Hα-helixtrans-62-43.6174.2-170.8175.8-170.464.70112Q323 Q324 V325 I330 D331Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.36Å; Q324-K327 PolarHBondContact O-N 3.48Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 3.11Å; K327-I330 PolarHBondContact O-N 3.17Å; K327-D331 WeakPolarHBondContact O-CB 3.24Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3Å
328A39.7Very low42.4Very low52 Ų52102.4 Ų102.443%0.4353%0.531SS..Hα-helixtrans-68-36.7177.900000113.3Q324 V325 D331 T332Q324-A328 VanDerWaalsContact O-CB 3.27Å; Q324-A328 WeakPolarHBondContact O-CB 3.38Å; Q324-A328 PolarHBondContact O-N 2.76Å; V325-A328 PolarHBondContact O-N 3.05Å; A328-D331 PolarHBondContact O-N 3.07Å; A328-T332 PolarHBondContact O-N 3.33Å; A328-T332 PolarHBondContact O-OG1 3.23Å
329S38Very low43.1Very low73 Ų73105 Ų10551%0.5153%0.531SS..Hα-helixtrans-69.3-40.7175.4-65.90000111.9V325 L326 T332V325-S329 PolarHBondContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.37Å; L326-S329 PolarHBondContact O-N 2.84Å; S329-T332 PolarHBondContact O-N 3Å
330I46.3Very low44Very low104 Ų104110.9 Ų110.953%0.53355%0.551SS.*Hα-helixtrans-66.6-38.4173.5-66166000111.1L326 K327 T332 T333 V334L326-I330 WeakPolarHBondContact O-CB 3.23Å; L326-I330 WeakPolarHBondContact O-CD1 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.09Å; L326-I330 PolarHBondContact O-N 3.46Å; K327-I330 PolarHBondContact O-N 3.17Å; I330-T332 PolarHBondContact O-N 3.19Å; I330-T333 PolarHBondContact O-N 3.31Å; I330-V334 HydrophobicContact CG2-CG2 4.2Å; I330-V334 WeakPolarHBondContact O-CB 3.35Å; I330-V334 WeakPolarHBondContact O-CG2 3.35Å; I330-V334 PolarHBondContact O-N 3.2Å
331D37.4Very low45.5Very low78 Ų78113.3 Ų113.342%0.41756%0.561SS.*Hα-helixtrans-65.9-14.3175.4-77.9-31000113.2K327 A328K327-D331 WeakPolarHBondContact O-CB 3.24Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3Å; A328-D331 PolarHBondContact O-N 3.07Å
332T41.9Very low47.5Very low121 Ų121119 Ų11974%0.74258%0.577SS**Hα-helixtrans-89.5-32179.6-56.80000112.9A328 S329 I330A328-T332 PolarHBondContact O-N 3.33Å; A328-T332 PolarHBondContact O-OG1 3.23Å; S329-T332 PolarHBondContact O-N 3Å; I330-T332 PolarHBondContact O-N 3.19Å
333T42.4Very low49.5Very low110 Ų110118.7 Ų118.768%0.67557%0.573SS**Hα-helixtrans-92.4-14172.753.70000113.2I330I330-T333 PolarHBondContact O-N 3.31Å
334V42.8Very low51.7Low69 Ų69119.8 Ų119.842%0.41858%0.582SS.*SBendtrans-115.777.5-177.2-170.90000112.5I330 P336I330-V334 HydrophobicContact CG2-CG2 4.2Å; I330-V334 WeakPolarHBondContact O-CB 3.35Å; I330-V334 WeakPolarHBondContact O-CG2 3.35Å; I330-V334 PolarHBondContact O-N 3.2Å; V334-P336 VanDerWaalsContact O-N 3.1Å
335C41.3Very low53.9Low57 Ų57115.8 Ų115.839%0.38556%0.564SS.*  trans14.581.5163.6-90.40000115.8R337 R338C335-R337 PolarHBondContact O-N 3.07Å; C335-R338 HydrophobicContact CB-CG 4.46Å; C335-R338 WeakPolarHBondContact O-CG 3.45Å; C335-R338 PolarHBondContact O-N 2.8Å
336P37.9Very low56.1Low46 Ų46117.2 Ų117.230%0.29957%0.565SS.*THydrogen-bonded Turntrans-66.5134.2-171.122.4-30.2000111.5N187 V334N187-P336 WeakPolarHBondContact OD1-CG 3.46Å; V334-P336 VanDerWaalsContact O-N 3.1Å
337R48.9Very low58.3Low222 Ų222113.6 Ų113.684%0.83856%0.555SS**THydrogen-bonded Turntrans67.152.1-170-49.5-173.9-169.8-128.83.6115.7C335 R339C335-R337 PolarHBondContact O-N 3.07Å; R337-R339 PolarHBondContact O-N 3.45Å
338R49.2Very low60.7Low187 Ų187115 Ų11571%0.70656%0.561SS**  trans-50.2127.2159-57.1177.885178.210.3109.8C335C335-R338 HydrophobicContact CB-CG 4.46Å; C335-R338 WeakPolarHBondContact O-CG 3.45Å; C335-R338 PolarHBondContact O-N 2.8Å
339R57.7Low63.2Low135 Ų135114.8 Ų114.851%0.50955%0.551SS.*  trans-57.6149.8170.7-61.5-174.2-161.873.511.9109.7A189 F190 R337 R341A189-R339 PolarHBondContact O-NH1 3.35Å; A189-R339 PolarHBondContact O-NH2 3.34Å; F190-R339 VanDerWaalsContact CD1-NH2 3.29Å; R337-R339 PolarHBondContact O-N 3.45Å; R339-R341 PolarHBondContact O-N 3.3Å; R339-R341 VanDerWaalsContact O-N 3.11Å
340K63.9Low65.9Low167 Ų167117 Ų11773%0.72655%0.549SS*.  trans-46122.8171.9-176.1172.7178.6178.10108.4R342 D378K340-R342 PolarHBondContact O-N 2.86Å; K340-D378 IonicContact NZ-OD2 2.62Å; K340-D378 PolarHBondContact NZ-OD2 2.84Å
341R69.3Low68.2Low210 Ų210117.1 Ų117.179%0.79255%0.55SS**PPolyproline II helixtrans-56.6138.5179.9-69.8-172.378.3-144.86.9108.5R339 T343R339-R341 PolarHBondContact O-N 3.3Å; R339-R341 VanDerWaalsContact O-N 3.11Å; R341-T343 PolarHBondContact O-N 3.4Å
342R78.4Confident70.9Confident239 Ų239117.3 Ų117.390%0.90255%0.551SS**PPolyproline II helixtrans-64.6128.1175-179176.7-179178.5-0.1108.6K340 N344K340-R342 PolarHBondContact O-N 2.86Å; R342-N344 PolarHBondContact O-N 2.64Å
343T86.7Confident73.4Confident60 Ų60111.6 Ų111.637%0.36852%0.515SS..PPolyproline II helixtrans-66.9127.8168.246.70000109.3R341 V381R341-T343 PolarHBondContact O-N 3.4Å; T343-V381 HydrophobicContact CG2-CG2 4.04Å
344N89.4Confident75.9Confident141 Ų141108.7 Ų108.775%0.75449%0.494SS*.PPolyproline II helixtrans-88.5135.7168.5-166.411.4000107.9R342R342-N344 PolarHBondContact O-N 2.64Å
345I89.3Confident78.4Confident22 Ų22107.6 Ų107.611%0.11350%0.496CS..  trans-109.6113.4179-60.5169.6000106.5M349 R350 L353 V381 W385I345-M349 HydrophobicContact CG2-CB 3.79Å; I345-R350 HydrophobicContact CG2-CB 4.24Å; I345-R350 PolarHBondContact O-NH2 3.31Å; I345-L353 HydrophobicContact CG2-CD1 4.23Å; I345-V381 HydrophobicContact CD1-CG1 4.03Å; I345-V381 HydrophobicContact CG1-CG1 4.46Å; I345-W385 HydrophobicContact CD1-CG 4.35Å
346E90.8Very high80.9Confident119 Ų119107 Ų10756%0.55649%0.488SS*.  trans-58160.8-179.2-61.2-172.9176.900112M349 R350E346-M349 HydrophobicContact CB-CG 4.23Å; E346-M349 HydrophobicContact CB-SD 4.02Å; E346-M349 HydrophobicContact CG-CE 4.29Å; E346-M349 HydrophobicContact CG-SD 4.14Å; E346-M349 PolarHBondContact O-N 3.07Å; E346-R350 WeakPolarHBondContact O-CB 3.25Å; E346-R350 PolarHBondContact O-N 3.26Å
347G91.2Very high83.6Confident37 Ų37105 Ų10538%0.38147%0.474SS..Hα-helixtrans-52.8-60.1179.600000111.9M349 R350 D351G347-M349 VanDerWaalsContact C-N 3.29Å; G347-M349 PolarHBondContact O-N 3.12Å; G347-R350 CarbonylContact O-C 3.6Å; G347-R350 WeakPolarHBondContact O-CA 3.46Å; G347-R350 VanDerWaalsContact O-CB 3.27Å; G347-R350 WeakPolarHBondContact O-CB 3.43Å; G347-R350 PolarHBondContact O-N 2.97Å; G347-D351 PolarHBondContact O-N 2.84Å; G347-D351 VanDerWaalsContact O-OD2 3.07Å
348K92.1Very high85.6Confident167 Ų167100.6 Ų100.673%0.72646%0.464SS*.Hα-helixtrans-52.3-43.4-179.8-60.7-179.4-179.71790113.4D351 I352K348-D351 PolarHBondContact O-N 3.13Å; K348-I352 WeakPolarHBondContact O-CG1 3.34Å; K348-I352 PolarHBondContact O-N 3.06Å
349M92.7Very high87.6Confident46 Ų4695.8 Ų95.823%0.22746%0.464CS..Hα-helixtrans-66.1-38.4178.4-62.3172-178.500111.8I345 E346 G347 L353 L375 L377I345-M349 HydrophobicContact CG2-CB 3.79Å; E346-M349 HydrophobicContact CB-CG 4.23Å; E346-M349 HydrophobicContact CB-SD 4.02Å; E346-M349 HydrophobicContact CG-CE 4.29Å; E346-M349 HydrophobicContact CG-SD 4.14Å; E346-M349 PolarHBondContact O-N 3.07Å; G347-M349 VanDerWaalsContact C-N 3.29Å; G347-M349 PolarHBondContact O-N 3.12Å; M349-L353 VanDerWaalsContact O-CG 3.31Å; M349-L353 WeakPolarHBondContact O-CG 3.4Å; M349-L353 PolarHBondContact O-N 3.37Å; M349-L353 VanDerWaalsContact O-N 3.15Å; M349-L375 HydrophobicContact CB-CD2 4.23Å; M349-L375 HydrophobicContact CG-CD2 4.31Å; M349-L377 HydrophobicContact SD-CD2 4.42Å
350R93.9Very high89.2Confident121 Ų12192.1 Ų92.146%0.45746%0.458SS..Hα-helixtrans-67.7-38.5176.2-173.2-170-50.9155.111.5111.7I345 E346 G347 L353 E354I345-R350 HydrophobicContact CG2-CB 4.24Å; I345-R350 PolarHBondContact O-NH2 3.31Å; E346-R350 WeakPolarHBondContact O-CB 3.25Å; E346-R350 PolarHBondContact O-N 3.26Å; G347-R350 CarbonylContact O-C 3.6Å; G347-R350 WeakPolarHBondContact O-CA 3.46Å; G347-R350 VanDerWaalsContact O-CB 3.27Å; G347-R350 WeakPolarHBondContact O-CB 3.43Å; G347-R350 PolarHBondContact O-N 2.97Å; R350-L353 PolarHBondContact O-N 3.25Å; R350-E354 WeakPolarHBondContact O-CB 3.41Å; R350-E354 PolarHBondContact O-N 3.23Å
351D94.5Very high90.4Very high105 Ų10586.9 Ų86.956%0.56144%0.438SS*.Hα-helixtrans-65.3-40.9-179.5-55.1-32.4000110.8G347 K348 E354 G355G347-D351 PolarHBondContact O-N 2.84Å; G347-D351 VanDerWaalsContact O-OD2 3.07Å; K348-D351 PolarHBondContact O-N 3.13Å; D351-E354 PolarHBondContact O-N 2.92Å; D351-G355 PolarHBondContact O-N 3.26Å
352I94.4Very high91.5Very high83 Ų8384.9 Ų84.943%0.42643%0.431SS..Hα-helixtrans-61.8-47.3171.9-64.5164.1000111K348 E354 G355 E356 L375K348-I352 WeakPolarHBondContact O-CG1 3.34Å; K348-I352 PolarHBondContact O-N 3.06Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 2.82Å; I352-G355 PolarHBondContact O-N 3.27Å; I352-E356 WeakPolarHBondContact O-CG 3.38Å; I352-E356 PolarHBondContact O-N 2.84Å; I352-L375 HydrophobicContact CB-CD2 4.17Å; I352-L375 HydrophobicContact CD1-CD2 3.72Å; I352-L375 HydrophobicContact CG2-CD2 4.11Å
353L95.4Very high92.1Very high0 Ų074.3 Ų74.30%039%0.393CS..Hα-helixtrans-63-35.6178.3-72.3170.4000112.8I345 M349 R350 F357 L375 V382 W385 F386I345-L353 HydrophobicContact CG2-CD1 4.23Å; M349-L353 VanDerWaalsContact O-CG 3.31Å; M349-L353 WeakPolarHBondContact O-CG 3.4Å; M349-L353 PolarHBondContact O-N 3.37Å; M349-L353 VanDerWaalsContact O-N 3.15Å; R350-L353 PolarHBondContact O-N 3.25Å; L353-F357 WeakPolarHBondContact O-CB 3.36Å; L353-F357 PolarHBondContact O-N 2.95Å; L353-L375 HydrophobicContact CD1-CD1 4.08Å; L353-L375 HydrophobicContact CD2-CD1 3.59Å; L353-L375 HydrophobicContact CG-CD1 3.61Å; L353-V382 HydrophobicContact CD2-CG1 3.88Å; L353-W385 VanDerWaalsContact C-CH2 3.44Å; L353-W385 HydrophobicContact CB-CD2 4.01Å; L353-W385 HydrophobicContact CB-CE3 3.93Å; L353-W385 HydrophobicContact CB-CH2 3.75Å; L353-W385 HydrophobicContact CB-CZ2 3.77Å; L353-W385 HydrophobicContact CB-CZ3 3.81Å; L353-W385 HydrophobicContact CD1-CD2 3.95Å; L353-W385 HydrophobicContact CD1-CE3 4.43Å; L353-W385 HydrophobicContact CD1-CG 3.99Å; L353-W385 HydrophobicContact CD2-CE3 4.39Å; L353-W385 HydrophobicContact CG-CD2 4.45Å; L353-W385 HydrophobicContact CG-CE3 4.49Å; L353-W385 VanDerWaalsContact O-CH2 3.27Å; L353-W385 WeakPolarHBondContact O-CH2 3.37Å; L353-W385 WeakPolarHBondContact O-CZ3 3.29Å; L353-F386 HydrophobicContact CD2-CE2 3.9Å
354E95.3Very high92.4Very high50 Ų5077.5 Ų77.523%0.23440%0.403CS..Hα-helixtrans-71.5-40.7175.7-16866.1-151.600111.3R350 D351 I352 E356 F357 Q358 R389R350-E354 WeakPolarHBondContact O-CB 3.41Å; R350-E354 PolarHBondContact O-N 3.23Å; D351-E354 PolarHBondContact O-N 2.92Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 2.82Å; E354-E356 PolarHBondContact O-N 3.45Å; E354-F357 WeakPolarHBondContact O-CB 3.37Å; E354-F357 PolarHBondContact O-N 3.4Å; E354-F357 VanDerWaalsContact O-N 3.1Å; E354-Q358 WeakPolarHBondContact O-CG 3.34Å; E354-Q358 PolarHBondContact O-N 3.15Å; E354-Q358 PolarHBondContact OE1-NE2 3.45Å; E354-R389 VanDerWaalsContact CD-NE 3.32Å; E354-R389 IonicContact OE1-CZ 2.68Å; E354-R389 VanDerWaalsContact OE1-CZ 3.29Å; E354-R389 IonicContact OE1-NE 3.48Å; E354-R389 PolarHBondContact OE1-NE 2.88Å; E354-R389 IonicContact OE1-NH2 3.82Å; E354-R389 PolarHBondContact OE1-NH2 3.41Å; E354-R389 WeakPolarHBondContact OE2-CD 3.32Å; E354-R389 IonicContact OE2-CZ 2.81Å; E354-R389 IonicContact OE2-NE 2.87Å; E354-R389 PolarHBondContact OE2-NE 3.26Å; E354-R389 IonicContact OE2-NH2 3.99Å
355G94.4Very high92.6Very high45 Ų4573.8 Ų73.846%0.46439%0.387SS..Hα-helixtrans-57.8-45.8172.400000112.6D351 I352 F357 Q358 A359D351-G355 PolarHBondContact O-N 3.26Å; I352-G355 PolarHBondContact O-N 3.27Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.26Å; G355-Q358 PolarHBondContact O-N 3.12Å; G355-A359 PolarHBondContact O-N 3.01Å; G355-A359 VanDerWaalsContact O-N 3.12Å
356E93.4Very high92.8Very high44 Ų4475.8 Ų75.821%0.20640%0.403CS..Hα-helixtrans-64.4-34.1173.6-69.9-76.7132.100112.7I352 E354 A359 C360 R367 L371 F386I352-E356 WeakPolarHBondContact O-CG 3.38Å; I352-E356 PolarHBondContact O-N 2.84Å; E354-E356 PolarHBondContact O-N 3.45Å; E356-A359 PolarHBondContact O-N 3.1Å; E356-C360 CarbonylContact O-C 3.57Å; E356-C360 PolarHBondContact O-N 3.29Å; E356-R367 IonicContact OE1-CZ 2.82Å; E356-R367 IonicContact OE1-NE 3.88Å; E356-R367 IonicContact OE1-NH2 3.35Å; E356-R367 PolarHBondContact OE1-NH2 3.45Å; E356-R367 IonicContact OE2-CZ 2.72Å; E356-R367 IonicContact OE2-NE 3.29Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH2 3Å; E356-R367 PolarHBondContact OE2-NH2 2.63Å; E356-R367 VanDerWaalsContact OE2-NH2 3.13Å; E356-L371 HydrophobicContact CB-CD1 4.13Å; E356-L371 HydrophobicContact CG-CD1 3.9Å; E356-L371 HydrophobicContact CG-CD2 3.69Å; E356-L371 HydrophobicContact CG-CG 4.44Å; E356-F386 HydrophobicContact CB-CZ 4.04Å
357F94.5Very high93Very high4 Ų473.8 Ų73.82%0.01839%0.39CS..Hα-helixtrans-65.1-40.4175.8-174.4-93.6000112.5L353 E354 G355 C360 N361 W385 F386 R389 R390 E393L353-F357 WeakPolarHBondContact O-CB 3.36Å; L353-F357 PolarHBondContact O-N 2.95Å; E354-F357 WeakPolarHBondContact O-CB 3.37Å; E354-F357 PolarHBondContact O-N 3.4Å; E354-F357 VanDerWaalsContact O-N 3.1Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.26Å; F357-C360 CarbonylContact O-C 3.3Å; F357-C360 VanDerWaalsContact O-C 3.3Å; F357-N361 HydrophobicContact CD2-CB 4.32Å; F357-N361 HydrophobicContact CE1-CB 4.34Å; F357-N361 HydrophobicContact CE2-CB 3.82Å; F357-N361 HydrophobicContact CZ-CB 3.82Å; F357-N361 PolarHBondContact O-N 2.95Å; F357-W385 HydrophobicContact CB-CH2 3.99Å; F357-W385 HydrophobicContact CB-CZ3 4.01Å; F357-W385 HydrophobicContact CD2-CZ3 4.22Å; F357-W385 HydrophobicContact CG-CH2 4.45Å; F357-W385 HydrophobicContact CG-CZ3 4.42Å; F357-F386 HydrophobicContact CB-CE1 4.17Å; F357-F386 AromaticContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CE1 4.06Å; F357-R389 HydrophobicContact CD1-CG 3.84Å; F357-R389 HydrophobicContact CD2-CB 4.01Å; F357-R389 HydrophobicContact CD2-CG 3.51Å; F357-R389 HydrophobicContact CE1-CG 3.84Å; F357-R389 HydrophobicContact CE2-CB 3.89Å; F357-R389 HydrophobicContact CE2-CG 3.5Å; F357-R389 HydrophobicContact CG-CG 3.69Å; F357-R389 HydrophobicContact CZ-CB 4.42Å; F357-R389 HydrophobicContact CZ-CG 3.69Å; F357-R390 HydrophobicContact CE2-CG 3.69Å; F357-R390 HydrophobicContact CZ-CG 4.07Å; F357-E393 WeakPolarHBondContact CE1-OE1 3.36Å
358Q91.6Very high93.1Very high131 Ų13172.9 Ų72.961%0.61238%0.377SS*.Hα-helixtrans-68.1-37175.8-60.9-56.6-33.600111.8E354 G355E354-Q358 WeakPolarHBondContact O-CG 3.34Å; E354-Q358 PolarHBondContact O-N 3.15Å; E354-Q358 PolarHBondContact OE1-NE2 3.45Å; G355-Q358 PolarHBondContact O-N 3.12Å
359A92Very high93.3Very high86 Ų8667.4 Ų67.471%0.71136%0.355SS*.Hα-helixtrans-70.7-41.1174.600000112.7G355 E356G355-A359 PolarHBondContact O-N 3.01Å; G355-A359 VanDerWaalsContact O-N 3.12Å; E356-A359 PolarHBondContact O-N 3.1Å
360C89.6Confident93.4Very high58 Ų5869.7 Ų69.739%0.39237%0.366SS..  trans-153.2106.9177.3-170.60000111.8E356 F357 R362 P363E356-C360 CarbonylContact O-C 3.57Å; E356-C360 PolarHBondContact O-N 3.29Å; F357-C360 CarbonylContact O-C 3.3Å; F357-C360 VanDerWaalsContact O-C 3.3Å; C360-R362 PolarHBondContact O-N 3.41Å; C360-R362 VanDerWaalsContact O-N 3.11Å; C360-R362 VanDerWaalsContact SG-C 3.53Å; C360-R362 PolarHBondContact SG-O 3.39Å; C360-P363 WeakPolarHBondContact O-CD 3.27Å
361N90.2Very high93.5Very high56 Ų5664 Ų6430%0.29934%0.344SS..SBendtrans-68.3-11179.569.217.3000114.4F357 R390F357-N361 HydrophobicContact CD2-CB 4.32Å; F357-N361 HydrophobicContact CE1-CB 4.34Å; F357-N361 HydrophobicContact CE2-CB 3.82Å; F357-N361 HydrophobicContact CZ-CB 3.82Å; F357-N361 PolarHBondContact O-N 2.95Å; N361-R390 WeakPolarHBondContact O-CD 3.29Å; N361-R390 PolarHBondContact O-NH1 3.47Å
362R91.7Very high93.5Very high169 Ų16959.2 Ų59.264%0.63832%0.319SS*.SBendtrans-136.269.5177.8-70.5-176.6-175.9-141.27.8110.8C360C360-R362 PolarHBondContact O-N 3.41Å; C360-R362 VanDerWaalsContact O-N 3.11Å; C360-R362 VanDerWaalsContact SG-C 3.53Å; C360-R362 PolarHBondContact SG-O 3.39Å
363P92.2Very high93.6Very high17 Ų1761.4 Ų61.411%0.1133%0.332CS..  trans-60.9143.4-18028.6-37.4000111.5C360 R367 L368 F386C360-P363 WeakPolarHBondContact O-CD 3.27Å; P363-R367 HydrophobicContact CB-CB 4.12Å; P363-R367 HydrophobicContact CB-CG 4.09Å; P363-L368 HydrophobicContact CB-CD2 4.47Å; P363-L368 HydrophobicContact CB-CG 4.47Å; P363-L368 HydrophobicContact CG-CD2 3.58Å; P363-L368 HydrophobicContact CG-CG 3.97Å; P363-F386 HydrophobicContact CG-CD1 3.79Å; P363-F386 HydrophobicContact CG-CD2 4.15Å; P363-F386 HydrophobicContact CG-CE1 3.65Å; P363-F386 HydrophobicContact CG-CE2 4.04Å; P363-F386 HydrophobicContact CG-CG 4.06Å; P363-F386 HydrophobicContact CG-CZ 3.81Å
364H91.6Very high93.5Very high126 Ų12667.4 Ų67.458%0.58336%0.36SS*.  trans-58.3148.5173.7-170.7-101.4000110.7S366 R367 L368H364-S366 PolarHBondContact CE1-OG 2.92Å; H364-S366 VanDerWaalsContact CE1-OG 3.31Å; H364-S366 PolarHBondContact ND1-N 3.38Å; H364-S366 PolarHBondContact ND1-OG 2.92Å; H364-S366 PolarHBondContact O-N 2.85Å; H364-S366 VanDerWaalsContact O-N 3.13Å; H364-R367 WeakPolarHBondContact O-CA 3.4Å; H364-R367 WeakPolarHBondContact O-CB 3.44Å; H364-R367 PolarHBondContact O-N 3.23Å; H364-L368 PolarHBondContact O-N 3.06Å; H364-L368 VanDerWaalsContact O-N 3.12Å
365P93.2Very high93.4Very high64 Ų6465.5 Ų65.542%0.41635%0.351SS..Hα-helixtrans-47.6-43.4177.6-32.637.7000114.3R367 L368 D369P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.99Å; P365-L368 WeakPolarHBondContact O-CA 3.3Å; P365-L368 WeakPolarHBondContact O-CB 3.33Å; P365-L368 PolarHBondContact O-N 3.1Å; P365-L368 VanDerWaalsContact O-N 3.07Å; P365-D369 PolarHBondContact O-N 3.18Å
366S94.5Very high93.4Very high64 Ų6469 Ų6945%0.44837%0.367SS..Hα-helixtrans-60.2-31.6176.3-39.90000113.9H364 Q370H364-S366 PolarHBondContact CE1-OG 2.92Å; H364-S366 VanDerWaalsContact CE1-OG 3.31Å; H364-S366 PolarHBondContact ND1-N 3.38Å; H364-S366 PolarHBondContact ND1-OG 2.92Å; H364-S366 PolarHBondContact O-N 2.85Å; H364-S366 VanDerWaalsContact O-N 3.13Å; S366-Q370 WeakPolarHBondContact O-CG 3.36Å; S366-Q370 PolarHBondContact O-N 3.35Å; S366-Q370 VanDerWaalsContact O-N 3.1Å
367R93.9Very high93.4Very high76 Ų7668.3 Ų68.329%0.28737%0.365SS..Hα-helixtrans-76.2-36.1174.8-175.857.6176177.70111.3E356 P363 H364 P365 D369 Q370 L371E356-R367 IonicContact OE1-CZ 2.82Å; E356-R367 IonicContact OE1-NE 3.88Å; E356-R367 IonicContact OE1-NH2 3.35Å; E356-R367 PolarHBondContact OE1-NH2 3.45Å; E356-R367 IonicContact OE2-CZ 2.72Å; E356-R367 IonicContact OE2-NE 3.29Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH2 3Å; E356-R367 PolarHBondContact OE2-NH2 2.63Å; E356-R367 VanDerWaalsContact OE2-NH2 3.13Å; P363-R367 HydrophobicContact CB-CB 4.12Å; P363-R367 HydrophobicContact CB-CG 4.09Å; H364-R367 WeakPolarHBondContact O-CA 3.4Å; H364-R367 WeakPolarHBondContact O-CB 3.44Å; H364-R367 PolarHBondContact O-N 3.23Å; P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.99Å; R367-D369 VanDerWaalsContact C-N 3.26Å; R367-D369 PolarHBondContact O-N 3.17Å; R367-Q370 VanDerWaalsContact CD-OE1 3.26Å; R367-Q370 PolarHBondContact O-N 3.29Å; R367-L371 HydrophobicContact CG-CD1 4.32Å; R367-L371 VanDerWaalsContact O-CG 3.32Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 2.91Å
368L94.9Very high93.3Very high19 Ų1972.1 Ų72.110%0.09939%0.385CS..Hα-helixtrans-59.8-38.9170.1-66.8171.2000111.6P363 H364 P365 L371 A372 V382 R383 F386P363-L368 HydrophobicContact CB-CD2 4.47Å; P363-L368 HydrophobicContact CB-CG 4.47Å; P363-L368 HydrophobicContact CG-CD2 3.58Å; P363-L368 HydrophobicContact CG-CG 3.97Å; H364-L368 PolarHBondContact O-N 3.06Å; H364-L368 VanDerWaalsContact O-N 3.12Å; P365-L368 WeakPolarHBondContact O-CA 3.3Å; P365-L368 WeakPolarHBondContact O-CB 3.33Å; P365-L368 PolarHBondContact O-N 3.1Å; P365-L368 VanDerWaalsContact O-N 3.07Å; L368-L371 PolarHBondContact O-N 2.84Å; L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.12Å; L368-A372 PolarHBondContact O-N 2.84Å; L368-V382 HydrophobicContact CD2-CG1 3.8Å; L368-R383 HydrophobicContact CD1-CB 4.29Å; L368-R383 HydrophobicContact CD1-CG 4.12Å; L368-F386 HydrophobicContact CD2-CD2 3.61Å; L368-F386 HydrophobicContact CD2-CE2 3.93Å; L368-F386 HydrophobicContact CD2-CG 4.32Å
369D95.7Very high93.4Very high51 Ų5172.3 Ų72.327%0.27338%0.38SS..Hα-helixtrans-66.3-42.4176-69.5-49.1000112.1P365 R367 A372 N373 R379P365-D369 PolarHBondContact O-N 3.18Å; R367-D369 VanDerWaalsContact C-N 3.26Å; R367-D369 PolarHBondContact O-N 3.17Å; D369-A372 PolarHBondContact O-N 3.02Å; D369-N373 PolarHBondContact O-N 3.39Å; D369-N373 VanDerWaalsContact O-N 3.13Å; D369-N373 PolarHBondContact O-ND2 3.1Å; D369-R379 WeakPolarHBondContact OD1-CD 3.31Å; D369-R379 VanDerWaalsContact OD1-CG 3.29Å; D369-R379 WeakPolarHBondContact OD1-CG 3.34Å; D369-R379 IonicContact OD1-CZ 3.17Å; D369-R379 IonicContact OD1-NE 3.79Å; D369-R379 PolarHBondContact OD1-NE 2.99Å; D369-R379 IonicContact OD1-NH2 3.15Å; D369-R379 IonicContact OD2-CZ 3.66Å; D369-R379 IonicContact OD2-NE 2.68Å; D369-R379 PolarHBondContact OD2-NE 3.46Å; D369-R379 IonicContact OD2-NH2 2.61Å; D369-R379 PolarHBondContact OD2-NH2 2.99Å
370Q95.5Very high93.5Very high95 Ų9573 Ų7344%0.44437%0.369SS..Hα-helixtrans-60.9-46.4172.7-71.6169.64.200112.3S366 R367 N373 Q374S366-Q370 WeakPolarHBondContact O-CG 3.36Å; S366-Q370 PolarHBondContact O-N 3.35Å; S366-Q370 VanDerWaalsContact O-N 3.1Å; R367-Q370 VanDerWaalsContact CD-OE1 3.26Å; R367-Q370 PolarHBondContact O-N 3.29Å; Q370-N373 PolarHBondContact O-N 2.92Å; Q370-Q374 WeakPolarHBondContact O-CB 3.49Å; Q370-Q374 WeakPolarHBondContact O-CG 3.46Å; Q370-Q374 PolarHBondContact O-N 3.38Å
371L95.3Very high93.7Very high0 Ų071.2 Ų71.20%036%0.356CS..Hα-helixtrans-66.8-36.5179.5-68.3173.7000112.4E356 R367 L368 Q374 L375 V382 F386E356-L371 HydrophobicContact CB-CD1 4.13Å; E356-L371 HydrophobicContact CG-CD1 3.9Å; E356-L371 HydrophobicContact CG-CD2 3.69Å; E356-L371 HydrophobicContact CG-CG 4.44Å; R367-L371 HydrophobicContact CG-CD1 4.32Å; R367-L371 VanDerWaalsContact O-CG 3.32Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 2.84Å; L371-Q374 PolarHBondContact O-N 3.45Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.26Å; L371-L375 WeakPolarHBondContact O-CG 3.46Å; L371-L375 PolarHBondContact O-N 3.48Å; L371-V382 HydrophobicContact CB-CG1 4.21Å; L371-F386 HydrophobicContact CD1-CE2 4.03Å; L371-F386 HydrophobicContact CD1-CZ 4.11Å
372A95.3Very high93.9Very high5 Ų568.5 Ų68.54%0.04134%0.342CS..Hα-helixtrans-59.5-46.1173.500000111.6L368 D369 C376 L377 R379 V382L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.12Å; L368-A372 PolarHBondContact O-N 2.84Å; D369-A372 PolarHBondContact O-N 3.02Å; A372-C376 PolarHBondContact O-N 3.13Å; A372-L377 WeakPolarHBondContact CB-O 3.42Å; A372-L377 PolarHBondContact O-N 3.42Å; A372-R379 HydrophobicContact CB-CB 4.32Å; A372-V382 HydrophobicContact CB-CG2 4.1Å
373N95Very high94.1Very high130 Ų13065.2 Ų65.270%0.69533%0.329SS*.Hα-helixtrans-67.5-42.2177.1-67.3-19.4000112.5D369 Q370 L375 C376D369-N373 PolarHBondContact O-N 3.39Å; D369-N373 VanDerWaalsContact O-N 3.13Å; D369-N373 PolarHBondContact O-ND2 3.1Å; Q370-N373 PolarHBondContact O-N 2.92Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.32Å; N373-C376 PolarHBondContact O-N 2.96Å
374Q94.5Very high94.2Very high125 Ų12566.8 Ų66.858%0.58434%0.338SS*.Hα-helixtrans-67-32179.2-75176.9-11.200113.4Q370 L371Q370-Q374 WeakPolarHBondContact O-CB 3.49Å; Q370-Q374 WeakPolarHBondContact O-CG 3.46Å; Q370-Q374 PolarHBondContact O-N 3.38Å; L371-Q374 PolarHBondContact O-N 3.45Å
375L93.4Very high94.4Very high11 Ų1162.5 Ų62.56%0.05832%0.317CS..Hα-helixtrans-97.9-1.4-178-61.1173.8000113.5M349 I352 L353 L371 N373 L377M349-L375 HydrophobicContact CB-CD2 4.23Å; M349-L375 HydrophobicContact CG-CD2 4.31Å; I352-L375 HydrophobicContact CB-CD2 4.17Å; I352-L375 HydrophobicContact CD1-CD2 3.72Å; I352-L375 HydrophobicContact CG2-CD2 4.11Å; L353-L375 HydrophobicContact CD1-CD1 4.08Å; L353-L375 HydrophobicContact CD2-CD1 3.59Å; L353-L375 HydrophobicContact CG-CD1 3.61Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.26Å; L371-L375 WeakPolarHBondContact O-CG 3.46Å; L371-L375 PolarHBondContact O-N 3.48Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.32Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CB 4.49Å; L375-L377 HydrophobicContact CB-CD1 3.97Å; L375-L377 HydrophobicContact CB-CG 3.96Å; L375-L377 HydrophobicContact CD1-CD1 4.32Å; L375-L377 PolarHBondContact O-N 3.18Å
376C93.7Very high94.6Very high117 Ų11759.5 Ų59.579%0.79130%0.298SS*.THydrogen-bonded Turntrans52.442.3-171.9-61.50000113.1A372 N373A372-C376 PolarHBondContact O-N 3.13Å; N373-C376 PolarHBondContact O-N 2.96Å
377L93.3Very high94.5Very high30 Ų3058.2 Ų58.216%0.15729%0.288CS..  trans-114.8149-179.3-66178.7000111.8M349 A372 L375 R379 V382M349-L377 HydrophobicContact SD-CD2 4.42Å; A372-L377 WeakPolarHBondContact CB-O 3.42Å; A372-L377 PolarHBondContact O-N 3.42Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CB 4.49Å; L375-L377 HydrophobicContact CB-CD1 3.97Å; L375-L377 HydrophobicContact CB-CG 3.96Å; L375-L377 HydrophobicContact CD1-CD1 4.32Å; L375-L377 PolarHBondContact O-N 3.18Å; L377-R379 PolarHBondContact O-N 2.94Å; L377-V382 HydrophobicContact CB-CG2 4.03Å; L377-V382 HydrophobicContact CD1-CG2 4.37Å
378D93.2Very high94.5Very high84 Ų8458.7 Ų58.745%0.44930%0.296SS..  trans-48126.6165.1-93.6-18.9000109.7K340 E380 V381 V382K340-D378 IonicContact NZ-OD2 2.62Å; K340-D378 PolarHBondContact NZ-OD2 2.84Å; D378-E380 PolarHBondContact O-N 3.07Å; D378-V381 HydrophobicContact CB-CB 4.03Å; D378-V381 HydrophobicContact CB-CG2 3.65Å; D378-V381 WeakPolarHBondContact O-CA 3.27Å; D378-V381 WeakPolarHBondContact O-CB 3.42Å; D378-V381 PolarHBondContact O-N 3.37Å; D378-V382 PolarHBondContact O-N 2.76Å
379R92.8Very high94.5Very high135 Ų13559.8 Ų59.851%0.50930%0.299SS..Hα-helixtrans-44.8-42.6172-177.2-160.8-161.5-158.114.4112.8D369 A372 L377 V381 V382 R383D369-R379 WeakPolarHBondContact OD1-CD 3.31Å; D369-R379 VanDerWaalsContact OD1-CG 3.29Å; D369-R379 WeakPolarHBondContact OD1-CG 3.34Å; D369-R379 IonicContact OD1-CZ 3.17Å; D369-R379 IonicContact OD1-NE 3.79Å; D369-R379 PolarHBondContact OD1-NE 2.99Å; D369-R379 IonicContact OD1-NH2 3.15Å; D369-R379 IonicContact OD2-CZ 3.66Å; D369-R379 IonicContact OD2-NE 2.68Å; D369-R379 PolarHBondContact OD2-NE 3.46Å; D369-R379 IonicContact OD2-NH2 2.61Å; D369-R379 PolarHBondContact OD2-NH2 2.99Å; A372-R379 HydrophobicContact CB-CB 4.32Å; L377-R379 PolarHBondContact O-N 2.94Å; R379-V381 VanDerWaalsContact C-N 3.34Å; R379-V381 PolarHBondContact O-N 3.5Å; R379-V382 PolarHBondContact O-N 2.92Å; R379-R383 WeakPolarHBondContact O-CB 3.13Å; R379-R383 PolarHBondContact O-N 3.13Å
380E93.6Very high94.4Very high101 Ų10160.4 Ų60.447%0.47230%0.298SS..Hα-helixtrans-65.2-34.8179178.860.5-174.300112.5D378 R383 V384D378-E380 PolarHBondContact O-N 3.07Å; E380-R383 VanDerWaalsContact CD-NH2 3.28Å; E380-R383 IonicContact OE1-CZ 2.7Å; E380-R383 IonicContact OE1-NE 2.7Å; E380-R383 IonicContact OE1-NH2 3.17Å; E380-R383 PolarHBondContact OE1-NH2 3.24Å; E380-R383 IonicContact OE2-CZ 3.69Å; E380-R383 IonicContact OE2-NE 3.13Å; E380-R383 PolarHBondContact OE2-NE 3.44Å; E380-R383 IonicContact OE2-NH2 3.84Å; E380-R383 PolarHBondContact OE2-NH2 2.7Å; E380-R383 VanDerWaalsContact OE2-NH2 3.15Å; E380-V384 HydrophobicContact CG-CG2 4.43Å; E380-V384 VanDerWaalsContact O-CB 3.25Å; E380-V384 WeakPolarHBondContact O-CB 3.37Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 2.63Å
381V94.7Very high94.1Very high20 Ų2061.5 Ų61.512%0.12130%0.303CS..Hα-helixtrans-66.8-43.8175.7171.30000110.6T343 I345 D378 R379 V384 W385T343-V381 HydrophobicContact CG2-CG2 4.04Å; I345-V381 HydrophobicContact CD1-CG1 4.03Å; I345-V381 HydrophobicContact CG1-CG1 4.46Å; D378-V381 HydrophobicContact CB-CB 4.03Å; D378-V381 HydrophobicContact CB-CG2 3.65Å; D378-V381 WeakPolarHBondContact O-CA 3.27Å; D378-V381 WeakPolarHBondContact O-CB 3.42Å; D378-V381 PolarHBondContact O-N 3.37Å; R379-V381 VanDerWaalsContact C-N 3.34Å; R379-V381 PolarHBondContact O-N 3.5Å; V381-V384 PolarHBondContact O-N 2.66Å; V381-W385 WeakPolarHBondContact O-CB 3.28Å; V381-W385 PolarHBondContact O-N 3.17Å
382V94.9Very high93.8Very high0 Ų066.9 Ų66.90%033%0.326CS..Hα-helixtrans-62.5-49.6175.6-175.80000110.3L353 L368 L371 A372 L377 D378 R379 V384 W385 F386L353-V382 HydrophobicContact CD2-CG1 3.88Å; L368-V382 HydrophobicContact CD2-CG1 3.8Å; L371-V382 HydrophobicContact CB-CG1 4.21Å; A372-V382 HydrophobicContact CB-CG2 4.1Å; L377-V382 HydrophobicContact CB-CG2 4.03Å; L377-V382 HydrophobicContact CD1-CG2 4.37Å; D378-V382 PolarHBondContact O-N 2.76Å; R379-V382 PolarHBondContact O-N 2.92Å; V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.03Å; V382-W385 WeakPolarHBondContact O-CB 3.41Å; V382-W385 PolarHBondContact O-N 3Å; V382-W385 VanDerWaalsContact O-N 3.1Å; V382-F386 HydrophobicContact CG1-CD2 4Å; V382-F386 HydrophobicContact CG1-CE2 3.9Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.25Å
383R95.5Very high93.5Very high99 Ų9970.1 Ų70.137%0.37434%0.341SS..Hα-helixtrans-56.5-45.2177-168.9-16367.271.8-1.6112.3L368 R379 E380 F386 C387L368-R383 HydrophobicContact CD1-CB 4.29Å; L368-R383 HydrophobicContact CD1-CG 4.12Å; R379-R383 WeakPolarHBondContact O-CB 3.13Å; R379-R383 PolarHBondContact O-N 3.13Å; E380-R383 VanDerWaalsContact CD-NH2 3.28Å; E380-R383 IonicContact OE1-CZ 2.7Å; E380-R383 IonicContact OE1-NE 2.7Å; E380-R383 IonicContact OE1-NH2 3.17Å; E380-R383 PolarHBondContact OE1-NH2 3.24Å; E380-R383 IonicContact OE2-CZ 3.69Å; E380-R383 IonicContact OE2-NE 3.13Å; E380-R383 PolarHBondContact OE2-NE 3.44Å; E380-R383 IonicContact OE2-NH2 3.84Å; E380-R383 PolarHBondContact OE2-NH2 2.7Å; E380-R383 VanDerWaalsContact OE2-NH2 3.15Å; R383-F386 PolarHBondContact O-N 2.7Å; R383-C387 PolarHBondContact O-N 3.1Å; R383-C387 VanDerWaalsContact O-N 3.08Å; R383-C387 PolarHBondContact O-SG 3.33Å
384V94.1Very high92.9Very high50 Ų5070.5 Ų70.530%0.30334%0.336SS..Hα-helixtrans-67.9-34.8177.3168.20000111.7E380 V381 V382 C387 N388E380-V384 HydrophobicContact CG-CG2 4.43Å; E380-V384 VanDerWaalsContact O-CB 3.25Å; E380-V384 WeakPolarHBondContact O-CB 3.37Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 2.63Å; V381-V384 PolarHBondContact O-N 2.66Å; V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.03Å; V384-C387 WeakPolarHBondContact O-CB 3.48Å; V384-C387 PolarHBondContact O-N 3.34Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.4Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 3.44Å; V384-N388 PolarHBondContact O-ND2 3.48Å
385W95.8Very high92.3Very high36 Ų3670.1 Ų70.114%0.13633%0.332CS..Hα-helixtrans-60-51.7173.6-176.297.3000111I345 L353 F357 V381 V382 C387 N388 R389I345-W385 HydrophobicContact CD1-CG 4.35Å; L353-W385 VanDerWaalsContact C-CH2 3.44Å; L353-W385 HydrophobicContact CB-CD2 4.01Å; L353-W385 HydrophobicContact CB-CE3 3.93Å; L353-W385 HydrophobicContact CB-CH2 3.75Å; L353-W385 HydrophobicContact CB-CZ2 3.77Å; L353-W385 HydrophobicContact CB-CZ3 3.81Å; L353-W385 HydrophobicContact CD1-CD2 3.95Å; L353-W385 HydrophobicContact CD1-CE3 4.43Å; L353-W385 HydrophobicContact CD1-CG 3.99Å; L353-W385 HydrophobicContact CD2-CE3 4.39Å; L353-W385 HydrophobicContact CG-CD2 4.45Å; L353-W385 HydrophobicContact CG-CE3 4.49Å; L353-W385 VanDerWaalsContact O-CH2 3.27Å; L353-W385 WeakPolarHBondContact O-CH2 3.37Å; L353-W385 WeakPolarHBondContact O-CZ3 3.29Å; F357-W385 HydrophobicContact CB-CH2 3.99Å; F357-W385 HydrophobicContact CB-CZ3 4.01Å; F357-W385 HydrophobicContact CD2-CZ3 4.22Å; F357-W385 HydrophobicContact CG-CH2 4.45Å; F357-W385 HydrophobicContact CG-CZ3 4.42Å; V381-W385 WeakPolarHBondContact O-CB 3.28Å; V381-W385 PolarHBondContact O-N 3.17Å; V382-W385 WeakPolarHBondContact O-CB 3.41Å; V382-W385 PolarHBondContact O-N 3Å; V382-W385 VanDerWaalsContact O-N 3.1Å; W385-C387 VanDerWaalsContact C-N 3.32Å; W385-C387 PolarHBondContact O-N 2.82Å; W385-N388 PolarHBondContact O-N 2.98Å; W385-N388 VanDerWaalsContact O-N 3.09Å; W385-R389 HydrophobicContact CE3-CB 4.34Å; W385-R389 HydrophobicContact CH2-CB 4.06Å; W385-R389 HydrophobicContact CH2-CG 3.85Å; W385-R389 HydrophobicContact CZ2-CB 4.42Å; W385-R389 HydrophobicContact CZ2-CG 4.35Å; W385-R389 HydrophobicContact CZ3-CB 4.04Å; W385-R389 HydrophobicContact CZ3-CG 4.19Å; W385-R389 WeakPolarHBondContact O-CB 3.36Å; W385-R389 PolarHBondContact O-N 3.46Å
386F96.3Very high91.7Very high2 Ų273 Ų731%0.00935%0.346CS..Hα-helixtrans-60.3-39.6176.6-84.9-87.5000112.3L353 E356 F357 P363 L368 L371 V382 R383 R389 R390L353-F386 HydrophobicContact CD2-CE2 3.9Å; E356-F386 HydrophobicContact CB-CZ 4.04Å; F357-F386 HydrophobicContact CB-CE1 4.17Å; F357-F386 AromaticContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CE1 4.06Å; P363-F386 HydrophobicContact CG-CD1 3.79Å; P363-F386 HydrophobicContact CG-CD2 4.15Å; P363-F386 HydrophobicContact CG-CE1 3.65Å; P363-F386 HydrophobicContact CG-CE2 4.04Å; P363-F386 HydrophobicContact CG-CG 4.06Å; P363-F386 HydrophobicContact CG-CZ 3.81Å; L368-F386 HydrophobicContact CD2-CD2 3.61Å; L368-F386 HydrophobicContact CD2-CE2 3.93Å; L368-F386 HydrophobicContact CD2-CG 4.32Å; L371-F386 HydrophobicContact CD1-CE2 4.03Å; L371-F386 HydrophobicContact CD1-CZ 4.11Å; V382-F386 HydrophobicContact CG1-CD2 4Å; V382-F386 HydrophobicContact CG1-CE2 3.9Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.25Å; R383-F386 PolarHBondContact O-N 2.7Å; F386-R389 PolarHBondContact O-N 3.09Å; F386-R390 WeakPolarHBondContact O-CG 3.47Å; F386-R390 PolarHBondContact O-N 2.88Å; F386-R390 VanDerWaalsContact O-N 3.11Å
387C93.7Very high90.7Very high36 Ų3668.2 Ų68.224%0.24331%0.313CS..Hα-helixtrans-59.2-45.8172.6-79.70000112.6R383 V384 W385 R390 Q391R383-C387 PolarHBondContact O-N 3.1Å; R383-C387 VanDerWaalsContact O-N 3.08Å; R383-C387 PolarHBondContact O-SG 3.33Å; V384-C387 WeakPolarHBondContact O-CB 3.48Å; V384-C387 PolarHBondContact O-N 3.34Å; W385-C387 VanDerWaalsContact C-N 3.32Å; W385-C387 PolarHBondContact O-N 2.82Å; C387-R390 PolarHBondContact SG-NH2 3.17Å; C387-R390 VanDerWaalsContact SG-NH2 3.44Å; C387-Q391 WeakPolarHBondContact O-CG 3.43Å; C387-Q391 PolarHBondContact O-N 2.84Å
388N94.3Very high89.5Confident87 Ų8772.3 Ų72.347%0.46533%0.327SS..Hα-helixtrans-71-35.8179.8-69.5-25.2000112.1V384 W385 Q391 K392V384-N388 WeakPolarHBondContact CG1-ND2 3.4Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 3.44Å; V384-N388 PolarHBondContact O-ND2 3.48Å; W385-N388 PolarHBondContact O-N 2.98Å; W385-N388 VanDerWaalsContact O-N 3.09Å; N388-Q391 WeakPolarHBondContact O-CB 3.26Å; N388-Q391 PolarHBondContact O-N 2.92Å; N388-K392 PolarHBondContact O-N 3.39Å
389R94.7Very high88.3Confident41 Ų4172.9 Ų72.916%0.15533%0.329CS..Hα-helixtrans-65.3-45.3177.8-175.661.9-175.5105.4-4.1111.9E354 F357 W385 F386 Q391 K392 E393 E396E354-R389 VanDerWaalsContact CD-NE 3.32Å; E354-R389 IonicContact OE1-CZ 2.68Å; E354-R389 VanDerWaalsContact OE1-CZ 3.29Å; E354-R389 IonicContact OE1-NE 3.48Å; E354-R389 PolarHBondContact OE1-NE 2.88Å; E354-R389 IonicContact OE1-NH2 3.82Å; E354-R389 PolarHBondContact OE1-NH2 3.41Å; E354-R389 WeakPolarHBondContact OE2-CD 3.32Å; E354-R389 IonicContact OE2-CZ 2.81Å; E354-R389 IonicContact OE2-NE 2.87Å; E354-R389 PolarHBondContact OE2-NE 3.26Å; E354-R389 IonicContact OE2-NH2 3.99Å; F357-R389 HydrophobicContact CD1-CG 3.84Å; F357-R389 HydrophobicContact CD2-CB 4.01Å; F357-R389 HydrophobicContact CD2-CG 3.51Å; F357-R389 HydrophobicContact CE1-CG 3.84Å; F357-R389 HydrophobicContact CE2-CB 3.89Å; F357-R389 HydrophobicContact CE2-CG 3.5Å; F357-R389 HydrophobicContact CG-CG 3.69Å; F357-R389 HydrophobicContact CZ-CB 4.42Å; F357-R389 HydrophobicContact CZ-CG 3.69Å; W385-R389 HydrophobicContact CE3-CB 4.34Å; W385-R389 HydrophobicContact CH2-CB 4.06Å; W385-R389 HydrophobicContact CH2-CG 3.85Å; W385-R389 HydrophobicContact CZ2-CB 4.42Å; W385-R389 HydrophobicContact CZ2-CG 4.35Å; W385-R389 HydrophobicContact CZ3-CB 4.04Å; W385-R389 HydrophobicContact CZ3-CG 4.19Å; W385-R389 WeakPolarHBondContact O-CB 3.36Å; W385-R389 PolarHBondContact O-N 3.46Å; F386-R389 PolarHBondContact O-N 3.09Å; R389-Q391 VanDerWaalsContact C-N 3.29Å; R389-Q391 PolarHBondContact O-N 3.42Å; R389-K392 WeakPolarHBondContact O-CB 3.27Å; R389-K392 PolarHBondContact O-N 2.83Å; R389-K392 VanDerWaalsContact O-N 3.08Å; R389-E393 PolarHBondContact O-N 3.17Å; R389-E396 IonicContact NH1-OE2 3.87Å; R389-E396 PolarHBondContact NH1-OE2 3.25Å
390R93.8Very high86.5Confident65 Ų6568.8 Ų68.825%0.24532%0.321CS..Hα-helixtrans-59.8-36.1170.7-70.6-167.9-65.6-84.2-3.2113F357 N361 F386 C387 K392 K394F357-R390 HydrophobicContact CE2-CG 3.69Å; F357-R390 HydrophobicContact CZ-CG 4.07Å; N361-R390 WeakPolarHBondContact O-CD 3.29Å; N361-R390 PolarHBondContact O-NH1 3.47Å; F386-R390 WeakPolarHBondContact O-CG 3.47Å; F386-R390 PolarHBondContact O-N 2.88Å; F386-R390 VanDerWaalsContact O-N 3.11Å; C387-R390 PolarHBondContact SG-NH2 3.17Å; C387-R390 VanDerWaalsContact SG-NH2 3.44Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K394 WeakPolarHBondContact O-CB 3.18Å; R390-K394 PolarHBondContact O-N 2.97Å
391Q88.1Confident84.8Confident118 Ų11867.5 Ų67.555%0.55132%0.317SS*.Hα-helixtrans-68.6-31.7174.7-74.2179.724.300112.8C387 N388 R389 K395C387-Q391 WeakPolarHBondContact O-CG 3.43Å; C387-Q391 PolarHBondContact O-N 2.84Å; N388-Q391 WeakPolarHBondContact O-CB 3.26Å; N388-Q391 PolarHBondContact O-N 2.92Å; R389-Q391 VanDerWaalsContact C-N 3.29Å; R389-Q391 PolarHBondContact O-N 3.42Å; Q391-K395 WeakPolarHBondContact O-CG 3.28Å; Q391-K395 PolarHBondContact O-N 3.08Å
392K89.5Confident83.1Confident112 Ų11272.6 Ų72.649%0.48734%0.343SS..Hα-helixtrans-69-49.3174.3-167.8179.9-178.3-93.10110.5N388 R389 R390 K394 K395 E396N388-K392 PolarHBondContact O-N 3.39Å; R389-K392 WeakPolarHBondContact O-CB 3.27Å; R389-K392 PolarHBondContact O-N 2.83Å; R389-K392 VanDerWaalsContact O-N 3.08Å; R390-K392 VanDerWaalsContact C-N 3.33Å; K392-K394 PolarHBondContact O-N 2.81Å; K392-K395 WeakPolarHBondContact O-CA 3.5Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 2.97Å; K392-E396 WeakPolarHBondContact CE-OE1 3.29Å; K392-E396 HydrophobicContact CG-CG 4.43Å; K392-E396 IonicContact NZ-OE1 3.35Å; K392-E396 PolarHBondContact NZ-OE1 2.84Å; K392-E396 WeakPolarHBondContact O-CG 3.29Å; K392-E396 PolarHBondContact O-N 3.36Å
393E88.3Confident81.4Confident74 Ų7480.2 Ų80.235%0.34638%0.379SS..Hα-helixtrans-56.2-45175.7178.2-177.8-110.800112.4F357 R389 K395 E396 C397F357-E393 WeakPolarHBondContact CE1-OE1 3.36Å; R389-E393 PolarHBondContact O-N 3.17Å; E393-K395 PolarHBondContact O-N 2.88Å; E393-E396 WeakPolarHBondContact CA-OE2 3.18Å; E393-E396 PolarHBondContact N-OE2 2.81Å; E393-E396 PolarHBondContact O-N 3.46Å; E393-C397 VanDerWaalsContact O-CB 3.32Å; E393-C397 WeakPolarHBondContact O-CB 3.25Å; E393-C397 PolarHBondContact O-N 2.81Å
394K83.7Confident79.4Confident137 Ų13779.3 Ų79.360%0.59638%0.38SS*.Hα-helixtrans-66.3-19.8174.5-175.5167.8-178.8172.80113.6R390 K392 R398R390-K394 WeakPolarHBondContact O-CB 3.18Å; R390-K394 PolarHBondContact O-N 2.97Å; K392-K394 PolarHBondContact O-N 2.81Å; K394-R398 PolarHBondContact O-NE 2.81Å; K394-R398 PolarHBondContact O-NH2 3.05Å
395K82Confident77.6Confident118 Ų11880.9 Ų80.951%0.51340%0.398SS..Hα-helixtrans-80.5-54.6170-73.2176.7178.1-1680110Q391 K392 E393 C397 R398 D399Q391-K395 WeakPolarHBondContact O-CG 3.28Å; Q391-K395 PolarHBondContact O-N 3.08Å; K392-K395 WeakPolarHBondContact O-CA 3.5Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 2.97Å; E393-K395 PolarHBondContact O-N 2.88Å; K395-C397 PolarHBondContact O-N 2.75Å; K395-C397 VanDerWaalsContact O-N 3.14Å; K395-R398 CarbonylContact O-C 3.6Å; K395-R398 WeakPolarHBondContact O-CA 3.46Å; K395-R398 PolarHBondContact O-N 3.33Å; K395-D399 VanDerWaalsContact C-OD2 3.3Å; K395-D399 PolarHBondContact O-N 3.26Å
396E79.9Confident75.5Confident72 Ų7282.4 Ų82.434%0.33643%0.425SS..Hα-helixtrans-48.5-45.3177.5-67.2165.6152.800111.7R389 K392 E393 R398 D399 C400R389-E396 IonicContact NH1-OE2 3.87Å; R389-E396 PolarHBondContact NH1-OE2 3.25Å; K392-E396 WeakPolarHBondContact CE-OE1 3.29Å; K392-E396 HydrophobicContact CG-CG 4.43Å; K392-E396 IonicContact NZ-OE1 3.35Å; K392-E396 PolarHBondContact NZ-OE1 2.84Å; K392-E396 WeakPolarHBondContact O-CG 3.29Å; K392-E396 PolarHBondContact O-N 3.36Å; E393-E396 WeakPolarHBondContact CA-OE2 3.18Å; E393-E396 PolarHBondContact N-OE2 2.81Å; E393-E396 PolarHBondContact O-N 3.46Å; E396-R398 PolarHBondContact O-N 3.39Å; E396-D399 PolarHBondContact O-N 2.88Å; E396-C400 WeakPolarHBondContact O-CB 3.41Å; E396-C400 PolarHBondContact O-N 2.84Å; E396-C400 PolarHBondContact O-SG 3.48Å
397C72.1Confident73.2Confident16 Ų1692.7 Ų92.711%0.10846%0.464CS..Hα-helixtrans-61.9-41.2174.4174.70000114.1E393 K395 L401 F416E393-C397 VanDerWaalsContact O-CB 3.32Å; E393-C397 WeakPolarHBondContact O-CB 3.25Å; E393-C397 PolarHBondContact O-N 2.81Å; K395-C397 PolarHBondContact O-N 2.75Å; K395-C397 VanDerWaalsContact O-N 3.14Å; C397-L401 WeakPolarHBondContact O-CB 3.26Å; C397-L401 WeakPolarHBondContact O-CG 3.45Å; C397-L401 PolarHBondContact O-N 3.22Å; C397-F416 WeakPolarHBondContact SG-CD2 3.46Å
398R69.7Low70.9Confident116 Ų116101.5 Ų101.544%0.43850%0.498SS..Hα-helixtrans-75.2-37.2177.6-79.1178.6-66.6177.86.8112.8K394 K395 E396 L401 N402K394-R398 PolarHBondContact O-NE 2.81Å; K394-R398 PolarHBondContact O-NH2 3.05Å; K395-R398 CarbonylContact O-C 3.6Å; K395-R398 WeakPolarHBondContact O-CA 3.46Å; K395-R398 PolarHBondContact O-N 3.33Å; E396-R398 PolarHBondContact O-N 3.39Å; R398-L401 PolarHBondContact O-N 3.07Å; R398-N402 WeakPolarHBondContact O-CB 3.27Å; R398-N402 PolarHBondContact O-N 3.27Å
399D66.5Low68.3Low95 Ų95100.9 Ų100.951%0.50850%0.5SS..Hα-helixtrans-65.1-45178.6-57.4-28.9000108.5K395 E396 N402 E403K395-D399 VanDerWaalsContact C-OD2 3.3Å; K395-D399 PolarHBondContact O-N 3.26Å; E396-D399 PolarHBondContact O-N 2.88Å; D399-N402 PolarHBondContact O-N 2.79Å; D399-E403 WeakPolarHBondContact O-CB 3.5Å; D399-E403 PolarHBondContact O-N 3.37Å
400C54.8Low66.2Low49 Ų49103.3 Ų103.333%0.33152%0.523SS..Hα-helixtrans-62.8-41.7169.6-690000113.5E396 N402 E403 M404E396-C400 WeakPolarHBondContact O-CB 3.41Å; E396-C400 PolarHBondContact O-N 2.84Å; E396-C400 PolarHBondContact O-SG 3.48Å; C400-N402 VanDerWaalsContact C-N 3.32Å; C400-N402 PolarHBondContact O-N 2.97Å; C400-E403 PolarHBondContact O-N 3.4Å; C400-M404 HydrophobicContact CB-CE 4.36Å; C400-M404 WeakPolarHBondContact O-CB 3.3Å; C400-M404 WeakPolarHBondContact O-CG 3.3Å; C400-M404 PolarHBondContact O-N 3.21Å
401L57.9Low64.3Low75 Ų75104 Ų10439%0.39354%0.542SS..Hα-helixtrans-63.3-36.9176.8-79.5168000112.3C397 R398 M404 A405 F416C397-L401 WeakPolarHBondContact O-CB 3.26Å; C397-L401 WeakPolarHBondContact O-CG 3.45Å; C397-L401 PolarHBondContact O-N 3.22Å; R398-L401 PolarHBondContact O-N 3.07Å; L401-M404 CarbonylContact O-C 3.56Å; L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 3.38Å; L401-F416 HydrophobicContact CD1-CD1 4.41Å; L401-F416 HydrophobicContact CD1-CD2 4.44Å; L401-F416 HydrophobicContact CD1-CE1 4.4Å; L401-F416 HydrophobicContact CD1-CE2 4.43Å; L401-F416 HydrophobicContact CD1-CG 4.42Å; L401-F416 HydrophobicContact CD1-CZ 4.4Å
402N59.5Low62.5Low126 Ų126107.2 Ų107.267%0.67456%0.557SS**Hα-helixtrans-72.2-39.7175.9-75.7-4.8000111.9R398 D399 C400 A405R398-N402 WeakPolarHBondContact O-CB 3.27Å; R398-N402 PolarHBondContact O-N 3.27Å; D399-N402 PolarHBondContact O-N 2.79Å; C400-N402 VanDerWaalsContact C-N 3.32Å; C400-N402 PolarHBondContact O-N 2.97Å; N402-A405 WeakPolarHBondContact O-CB 3.45Å; N402-A405 PolarHBondContact O-N 3.35Å
403E58.5Low60.5Low160 Ų160107.2 Ų107.275%0.74857%0.571SS**Hα-helixtrans-67.8-36175.5-166.8172.1-171.300111.6D399 C400D399-E403 WeakPolarHBondContact O-CB 3.5Å; D399-E403 PolarHBondContact O-N 3.37Å; C400-E403 PolarHBondContact O-N 3.4Å
404M54.5Low58.4Low81 Ų81105.6 Ų105.640%0.39957%0.568SS.*Hα-helixtrans-85.8-6.1175.4-63.2172.7-174.600113.6C400 L401 G406 R407 C409C400-M404 HydrophobicContact CB-CE 4.36Å; C400-M404 WeakPolarHBondContact O-CB 3.3Å; C400-M404 WeakPolarHBondContact O-CG 3.3Å; C400-M404 PolarHBondContact O-N 3.21Å; L401-M404 CarbonylContact O-C 3.56Å; M404-G406 PolarHBondContact O-N 3.21Å; M404-G406 VanDerWaalsContact O-N 3.14Å; M404-R407 CarbonylContact O-C 3.55Å; M404-R407 PolarHBondContact O-N 3.17Å; M404-C409 HydrophobicContact CB-CB 4.06Å; M404-C409 HydrophobicContact CG-CB 3.94Å; M404-C409 HydrophobicContact SD-CB 3.41Å; M404-C409 WeakPolarHBondContact SD-CB 3.25Å
405A55.3Low56.7Low83 Ų83103.1 Ų103.169%0.68658%0.581SS**THydrogen-bonded Turntrans-63-19.2172.700000112.1L401 N402L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 3.38Å; N402-A405 WeakPolarHBondContact O-CB 3.45Å; N402-A405 PolarHBondContact O-N 3.35Å
406G53Low54.7Low68 Ų68102.9 Ų102.970%0.70158%0.58SS**THydrogen-bonded Turntrans-81.2-14.9168.400000115.4M404M404-G406 PolarHBondContact O-N 3.21Å; M404-G406 VanDerWaalsContact O-N 3.14Å
407R47.1Very low52.8Low217 Ų217106.6 Ų106.682%0.81960%0.602SS**SBendtrans-152.4106.4-179.6-61.7-173.8-166.4-142.60.7111.2M404 C409M404-R407 CarbonylContact O-C 3.55Å; M404-R407 PolarHBondContact O-N 3.17Å; R407-C409 PolarHBondContact O-N 2.79Å
408K46.2Very low51.3Low222 Ų222109.7 Ų109.797%0.96562%0.62SS**  trans-42.6102.7178-66177.8-179.5177.70112.2
409C40Very low49.9Very low74 Ų74113.4 Ų113.450%0.564%0.635SS.*  trans-105142.2175.9-149.30000109.9M404 R407 A411M404-C409 HydrophobicContact CB-CB 4.06Å; M404-C409 HydrophobicContact CG-CB 3.94Å; M404-C409 HydrophobicContact SD-CB 3.41Å; M404-C409 WeakPolarHBondContact SD-CB 3.25Å; R407-C409 PolarHBondContact O-N 2.79Å; C409-A411 PolarHBondContact O-N 3.28Å
410S49.9Very low48.8Very low91 Ų91114.2 Ų114.264%0.63664%0.643SS**  trans-68.5124.3-171.2-171.20000111.5H412 S413S410-H412 PolarHBondContact O-N 3.19Å; S410-S413 PolarHBondContact O-N 2.87Å
411A54.9Low47.7Very low79 Ų79121 Ų12165%0.65367%0.67SS**THydrogen-bonded Turntrans-64-2.4-172.900000115.2C409 C414C409-A411 PolarHBondContact O-N 3.28Å; A411-C414 VanDerWaalsContact O-O 3.11Å
412H49.5Very low46.4Very low187 Ų187123.2 Ų123.287%0.86668%0.682SS**THydrogen-bonded Turntrans-84.7-16.7-178.2-96.8-111.9000115.4S410S410-H412 PolarHBondContact O-N 3.19Å
413S48Very low45.4Very low111 Ų111123 Ų12378%0.77669%0.691SS**SBendtrans-97.6-9.4177.382.80000114.1S410S410-S413 PolarHBondContact O-N 2.87Å
414C44.2Very low44.1Very low41 Ų41126 Ų12628%0.27770%0.695SS.*SBendtrans-102.9127.2168.9-165.90000106.9A411 F416A411-C414 VanDerWaalsContact O-O 3.11Å; C414-F416 PolarHBondContact O-N 3.46Å
415G46.2Very low42.9Very low85 Ų85130.1 Ų130.188%0.87672%0.718SS**  trans-67.429-175.100000115.9L417G415-L417 PolarHBondContact O-N 3.46Å
416F41.8Very low42.1Very low113 Ų113132 Ų13250%0.49672%0.723SS.*  trans-78.649.7178.3-162.9-111.2000111.7C397 L401 C414 V418C397-F416 WeakPolarHBondContact SG-CD2 3.46Å; L401-F416 HydrophobicContact CD1-CD1 4.41Å; L401-F416 HydrophobicContact CD1-CD2 4.44Å; L401-F416 HydrophobicContact CD1-CE1 4.4Å; L401-F416 HydrophobicContact CD1-CE2 4.43Å; L401-F416 HydrophobicContact CD1-CG 4.42Å; L401-F416 HydrophobicContact CD1-CZ 4.4Å; C414-F416 PolarHBondContact O-N 3.46Å; F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 HydrophobicContact CD1-CG2 3.83Å; F416-V418 HydrophobicContact CE1-CG2 3.55Å; F416-V418 HydrophobicContact CZ-CG2 4.12Å; F416-V418 PolarHBondContact O-N 3.32Å
417L38.3Very low41.2Very low150 Ų150137.1 Ų137.179%0.78573%0.733SS**  trans-68.3105.1157.5-156.888.4000106.4G415 Y419G415-L417 PolarHBondContact O-N 3.46Å; L417-Y419 PolarHBondContact O-N 3.05Å
418V42.5Very low40.4Very low80 Ų80131 Ų13149%0.48574%0.738SS.*  trans-59.1110178.8-171.70000107.4F416 T420F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 HydrophobicContact CD1-CG2 3.83Å; F416-V418 HydrophobicContact CE1-CG2 3.55Å; F416-V418 HydrophobicContact CZ-CG2 4.12Å; F416-V418 PolarHBondContact O-N 3.32Å; V418-T420 HydrophobicContact CB-CG2 4.25Å; V418-T420 HydrophobicContact CG1-CG2 3.62Å; V418-T420 PolarHBondContact O-N 3.18Å
419Y39.5Very low39.7Very low195 Ų195123.9 Ų123.977%0.76573%0.727SS**  trans-69.274.4161.7-82-95.9000107.7L417 H421L417-Y419 PolarHBondContact O-N 3.05Å; Y419-H421 PolarHBondContact O-N 2.93Å
420T42.2Very low39.6Very low111 Ų111126.5 Ų126.568%0.68174%0.742SS**  trans-59.6131.7165.145.50000107.6V418V418-T420 HydrophobicContact CB-CG2 4.25Å; V418-T420 HydrophobicContact CG1-CG2 3.62Å; V418-T420 PolarHBondContact O-N 3.18Å
421H32.2Very low38.9Very low191 Ų191127.1 Ų127.188%0.88475%0.752SS**SBendtrans-56.5153170.6-129.9-105.3000110.2Y419Y419-H421 PolarHBondContact O-N 2.93Å
422D30.2Very low38.1Very low122 Ų122129.6 Ų129.665%0.65275%0.754SS**  trans76.8101.1172.7-144.8-14.4000117.1
423S38.5Very low37.4Very low122 Ų122128 Ų12885%0.85375%0.752SS**  trans-158.7105.9147.1-80.70000108.2
424R32.1Very low36.8Very low223 Ų223130.5 Ų130.584%0.84276%0.756SS**  trans-60.3147.6170.3-59.1174.2-174.4-167.5-0.8109.5
425L29.8Very low36.5Very low167 Ų167134.6 Ų134.687%0.87478%0.784SS**  trans-51.6143.6173.8-60.9168.4000111.9
426P37.9Very low36Very low123 Ų123139.7 Ų139.780%0.79979%0.785SS**  trans-104.4140140.85.713.6000110.4
427L33.3Very low35.8Very low175 Ų175141.2 Ų141.292%0.91680%0.797SS**  trans-72149.8173.8-64.7153.1000110.7
428G30.6Very low35.8Very low88 Ų88141.8 Ų141.891%0.90780%0.8SS**  trans98.594.516200000115.4
429G33.1Very low35.6Very low73 Ų73145 Ų14575%0.75382%0.815SS**  trans174.4113.317100000109.4A431G429-A431 PolarHBondContact O-N 3.22Å
430T36.6Very low35.5Very low130 Ų130141.8 Ų141.880%0.79882%0.821SS**  trans-63119.3-178.843.30000110.6D432T430-D432 VanDerWaalsContact C-N 3.27Å; T430-D432 PolarHBondContact O-N 3.29Å
431A34.7Very low35.6Very low103 Ų103141 Ų14185%0.85182%0.82SS**  trans-83.566.5-176.300000112.1G429G429-A431 PolarHBondContact O-N 3.22Å
432D38.1Very low36Very low131 Ų131143.2 Ų143.270%0.70182%0.821SS**  trans-125.9138.6167.9-71.4-60.7000109.1T430T430-D432 VanDerWaalsContact C-N 3.27Å; T430-D432 PolarHBondContact O-N 3.29Å
433N35.7Very low36.9Very low154 Ų154142.3 Ų142.382%0.82482%0.824SS**  trans78.666.9177.8-46.1-59.8000118.1
434L35.6Very low37.4Very low163 Ų163141.9 Ų141.985%0.85382%0.821SS**  trans-139.246152.9-150.872.9000114.2
435C37.8Very low38.5Very low128 Ų128141 Ų14187%0.86584%0.844SS**SBendtrans-134.454.7167.6-69.30000111
436Q35.6Very low39Very low191 Ų191139.8 Ų139.889%0.89384%0.843SS**  trans-159.964.4177.9-121.2167.77200112.8
437I36.7Very low39Very low146 Ų146140.6 Ų140.675%0.74985%0.845SS**  trans-137.984.6164.4-50.9178.2000108.4
438N38.3Very low39.4Very low162 Ų162138.7 Ų138.787%0.86684%0.841SS**  trans175.576152.1-94.6-10.3000109.8
439D38.7Very low39.9Very low146 Ų146141.7 Ų141.778%0.78184%0.837SS**  trans-157.2118.1135.8-133.4-38.5000109.8
440S37.1Very low40.3Very low128 Ų128146 Ų14690%0.89584%0.843SS**  trans-151.967.8-176.9-82.90000109.9
441S45.4Very low40.5Very low96 Ų96147.1 Ų147.167%0.67185%0.846SS**  trans-149.3116166.648.60000114.9
442R40.4Very low41Very low237 Ų237150.2 Ų150.289%0.89485%0.845SS**  trans86.1119.3146.9-78.1179157.3-161.7-7.6122.3
443S48Very low41.2Very low102 Ų102151.7 Ų151.771%0.71386%0.856SS**  trans59.4111.5143.251.30000118.4
444S49.5Very low41.6Very low114 Ų114151.5 Ų151.580%0.79786%0.859SS**  70.1142.354.6-53.30000114.3
445P56.5Low42.2Very low205 Ų205150.5 Ų150.5100%1.33186%0.86SS**  cis-86.802.136.5-35000114.7

Retrieved 445 of 445 residues in 754 ms (Link to these results)