A0A096NUM8_PAPAN Loading...

Thyroid nuclear factor 1

AlphaFold DB , UniProt , Accession A0A096NUM8, Species PAPAN (Papio anubis, Olive baboon), Gene NKX2-1, Length 371 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low49.6Very low244 Ų244149.4 Ų149.4100%1.20281%0.808SS**  0117.60-71.698157.100109.2
2S43.9Very low50.2Low105 Ų105142.9 Ų142.973%0.73478%0.783SS**  trans-94129174.5154.60000108.1
3M47.6Very low50.3Low181 Ų181139.9 Ų139.989%0.89277%0.771SS**  trans-137.594.2166.8-68.8-65.9-159.100108.3
4S41.5Very low50.7Low97 Ų97135.4 Ų135.468%0.67876%0.755SS**  trans-85.8125.9165-690000109.3K6S4-K6 PolarHBondContact O-N 3.08Å
5P55.6Low51.3Low135 Ų135133.5 Ų133.588%0.87774%0.742SS**  trans-72.5112.7170.8-16.731.5000110.4
6K52.7Low51.8Low199 Ų199132.9 Ų132.987%0.86574%0.736SS**  trans-82.5131.5168.7-68.3176.5178.2172.90109.2S4S4-K6 PolarHBondContact O-N 3.08Å
7H54.1Low51.7Low168 Ų168130.5 Ų130.578%0.77872%0.721SS**  trans54.5107.1151.1-126.2-79.1000118.7
8T48.5Very low51.8Low129 Ų129126.8 Ų126.879%0.79171%0.705SS**  trans-150.8102.7141.2-167.30000109.4P10T8-P10 WeakPolarHBondContact O-CD 3.35Å
9T56.9Low51.9Low112 Ų112124.6 Ų124.669%0.68770%0.697SS**  trans-96.199.4166.146.60000106.1
10P60.6Low51.7Low90 Ų90123.6 Ų123.658%0.58469%0.69SS**  trans-78.8130.9174.632.5-30.1000107.7T8T8-P10 WeakPolarHBondContact O-CD 3.35Å
11F39.7Very low51.9Low183 Ų183123.4 Ų123.480%0.80368%0.683SS**  trans85.592.9175.8-46.8-70.8000116
12S57.2Low52.2Low72 Ų72118.8 Ų118.850%0.50366%0.659SS.*  trans-81.4144.7160.2-1680000109.2S14 D15S12-S14 PolarHBondContact O-N 3.28Å; S12-D15 PolarHBondContact O-N 3.31Å
13V51.5Low52.6Low104 Ų104117.6 Ų117.663%0.6365%0.651SS**THydrogen-bonded Turntrans-58.7-21.5-179.7174.10000112.3D15 I16V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 3.24Å; V13-I16 PolarHBondContact O-N 3.15Å
14S56.1Low52.4Low77 Ų77115.3 Ų115.354%0.53863%0.633SS.*Hα-helixtrans-62.9-29.1175.5-46.30000113.9S12 I16 S18S12-S14 PolarHBondContact O-N 3.28Å; S14-I16 VanDerWaalsContact C-N 3.27Å; S14-I16 PolarHBondContact O-N 3.31Å; S14-S18 PolarHBondContact O-OG 3.23Å
15D59.3Low52.7Low107 Ų107119.5 Ų119.557%0.57264%0.639SS**Hα-helixtrans-71.5-23.2178.1-70.8-66.9000112.5S12 V13S12-D15 PolarHBondContact O-N 3.31Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 3.24Å
16I59.1Low52.2Low124 Ų124122.1 Ų122.164%0.63664%0.637SS**Hα-helixtrans-82.3-26.6-177.8-57.6172.6000111.3V13 S14V13-I16 PolarHBondContact O-N 3.15Å; S14-I16 VanDerWaalsContact C-N 3.27Å; S14-I16 PolarHBondContact O-N 3.31Å
17L50.1Low51.8Low92 Ų92118.9 Ų118.948%0.48263%0.633SS.*Hα-helixtrans-92.2-20.8-175.6-71.9164.7000113.6L20 E21L17-L20 PolarHBondContact O-N 3.23Å; L17-E21 PolarHBondContact O-N 3.42Å
18S53.6Low51.4Low63 Ų63114.1 Ų114.144%0.44163%0.63SS.*Hα-helixtrans-60.1-40.9-177.5-61.60000114.4S14 L20 E21S14-S18 PolarHBondContact O-OG 3.23Å; S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 3.04Å; S18-E21 PolarHBondContact O-N 3.38Å
19P54.3Low51.5Low86 Ų86116.4 Ų116.456%0.55863%0.634SS**Hα-helixtrans-70.7-22.2179.8-20.233.6000114.2
20L48.3Very low50.8Low104 Ų104120.7 Ų120.755%0.54565%0.646SS.*Hα-helixtrans-74.8-42.4174.5-96.2155000109.2L17 S18 E22 S23 Y24L17-L20 PolarHBondContact O-N 3.23Å; S18-L20 VanDerWaalsContact C-N 3.28Å; S18-L20 PolarHBondContact O-N 3.04Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.04Å; L20-S23 PolarHBondContact O-N 3.12Å; L20-S23 VanDerWaalsContact O-N 3.08Å; L20-Y24 HydrophobicContact CB-CE1 4.03Å; L20-Y24 HydrophobicContact CD2-CE1 4.17Å; L20-Y24 WeakPolarHBondContact O-CD1 3.04Å; L20-Y24 WeakPolarHBondContact O-CE1 3.11Å
21E55.2Low49.7Very low119 Ų119120.2 Ų120.256%0.55666%0.657SS**Hα-helixtrans-63.3-29.6-175.2-66.4-167.8115.500116.2L17 S18 Y24L17-E21 PolarHBondContact O-N 3.42Å; S18-E21 PolarHBondContact O-N 3.38Å; E21-Y24 VanDerWaalsContact CA-OH 3.32Å; E21-Y24 WeakPolarHBondContact CA-OH 3.5Å; E21-Y24 HydrophobicContact CB-CE2 3.86Å; E21-Y24 HydrophobicContact CG-CE2 3.64Å; E21-Y24 WeakPolarHBondContact CG-OH 2.72Å; E21-Y24 PolarHBondContact N-OH 3.06Å; E21-Y24 VanDerWaalsContact N-OH 3.15Å; E21-Y24 WeakPolarHBondContact O-CD2 3.32Å
22E51.6Low49.7Very low148 Ų148115.6 Ų115.669%0.69266%0.661SS**Hα-helixtrans-74.8-22.6175.5-84.1171.9130.300113.9L20L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.04Å
23S50.7Low48.9Very low80 Ų80115.3 Ų115.356%0.55967%0.67SS**Hα-helixtrans-78.1-25.2-177.2-70.90000113.7L20 V27L20-S23 PolarHBondContact O-N 3.12Å; L20-S23 VanDerWaalsContact O-N 3.08Å; S23-V27 WeakPolarHBondContact O-CG2 3.35Å
24Y44.2Very low48.5Very low133 Ų133119.2 Ų119.252%0.52269%0.687SS.*Hα-helixtrans-92.2-17.1179.516.9-85.4000114.4L20 E21L20-Y24 HydrophobicContact CB-CE1 4.03Å; L20-Y24 HydrophobicContact CD2-CE1 4.17Å; L20-Y24 WeakPolarHBondContact O-CD1 3.04Å; L20-Y24 WeakPolarHBondContact O-CE1 3.11Å; E21-Y24 VanDerWaalsContact CA-OH 3.32Å; E21-Y24 WeakPolarHBondContact CA-OH 3.5Å; E21-Y24 HydrophobicContact CB-CE2 3.86Å; E21-Y24 HydrophobicContact CG-CE2 3.64Å; E21-Y24 WeakPolarHBondContact CG-OH 2.72Å; E21-Y24 PolarHBondContact N-OH 3.06Å; E21-Y24 VanDerWaalsContact N-OH 3.15Å; E21-Y24 WeakPolarHBondContact O-CD2 3.32Å
25K48.6Very low47.4Very low184 Ų184119.3 Ų119.380%0.870%0.7SS**Hα-helixtrans-81.9-21173.8-94.1174.7171.3174.10113.8
26K44.1Very low46.4Very low191 Ų191118.9 Ų118.983%0.8371%0.711SS**THydrogen-bonded Turntrans-86.2-6.9-175.7-159177.6175.5-162.80115
27V44.2Very low46.2Very low130 Ų130118.2 Ų118.279%0.78871%0.714SS**THydrogen-bonded Turntrans-104.21.6-178.3-138.60000113.5S23S23-V27 WeakPolarHBondContact O-CG2 3.35Å
28G45.7Very low45.8Very low69 Ų69121.9 Ų121.971%0.71173%0.734SS**SBendtrans-111.14.2-16800000117
29M50Low44.9Very low177 Ų177124 Ų12487%0.87276%0.755SS**SBendtrans-151.733-166.1-135.5178.5138.600117.7
30E42.3Very low44Very low201 Ų201124.2 Ų124.294%0.93976%0.764SS**  trans-145.9123.6168.3-85.5-87.797.400109.3
31G37.3Very low43.2Very low80 Ų80128.7 Ų128.783%0.82578%0.775SS**  trans129.738.6163.400000117.8
32G41Very low42.3Very low86 Ų86131.9 Ų131.989%0.88778%0.782SS**  trans-89.8118.9156.600000110.2
33G39.3Very low41.5Very low67 Ų67132.5 Ų132.569%0.69179%0.785SS**  trans145.8138.1164.400000114.9
34L44.7Very low40.8Very low186 Ų186132.7 Ų132.797%0.97480%0.799SS**  trans82.4109.8-178.9-41-177.6000112.5
35G32.4Very low40.4Very low79 Ų79135 Ų13581%0.81482%0.815SS**  cis127.7100.528.900000107.7
36A39Very low39.8Very low97 Ų97131.1 Ų131.180%0.80282%0.817SS**  trans-3.4178160.300000122
37P54.2Low39.7Very low110 Ų110126.6 Ų126.671%0.71482%0.815SS**  cis-136.4177.2-46.236.4-18.1000114.1
38L41.7Very low40.2Very low170 Ų170126 Ų12689%0.8981%0.814SS**  trans37.9121.3149.6-68168.8000121.8
39A34.4Very low40.6Very low106 Ų106128.8 Ų128.888%0.87682%0.819SS**  trans-142.7119.1142.500000110.7
40A35.6Very low40Very low91 Ų91125.1 Ų125.175%0.75282%0.817SS**  trans-90.8140.9168.700000109.8
41Y31.5Very low39.9Very low199 Ų199120 Ų12078%0.7881%0.81SS**  trans-173.1129.4135.9-128.6-112.2000114.6
42R35.8Very low39.9Very low186 Ų186121 Ų12170%0.70281%0.81SS**  trans51.1122.3148-82.7-166.8177.1-169-3.9121.8
43Q35.8Very low40Very low160 Ų160125.5 Ų125.575%0.74881%0.81SS**  81.2115.566.7-1671791000113.5
44G34.8Very low40Very low84 Ų84128.8 Ų128.887%0.86681%0.807SS**  trans-171.994.9170.600000110.8
45Q36.4Very low39.6Very low182 Ų182126.3 Ų126.385%0.8579%0.791SS**  trans-108.8129.9-176.1-175.1-177.623.500107.7
46A34.8Very low39.9Very low102 Ų102131 Ų13184%0.84379%0.791SS**  trans-167.8129.9153.200000111.3
47A43.8Very low39.8Very low96 Ų96130.6 Ų130.679%0.79379%0.788SS**  trans-87178.118000000111.6
48P53.5Low39.1Very low118 Ų118132.6 Ų132.677%0.76680%0.798SS**  trans-92.8176.5-165.439.4-34.4000112.8
49P55Low38.8Very low127 Ų127127.5 Ų127.583%0.82579%0.787SS**  trans-114.3138.9155.434.1-22.2000112.5
50A37.8Very low39Very low100 Ų100131 Ų13183%0.82678%0.784SS**  trans-102.8150.1160.400000109.2
51A39.5Very low39.2Very low95 Ų95135.2 Ų135.279%0.78579%0.788SS**  trans136.8118.8135.800000115.8
52A36.8Very low39.2Very low100 Ų100129 Ų12983%0.82679%0.785SS**  84.2144.2125.400000123
53M42.5Very low39.2Very low181 Ų181124.7 Ų124.789%0.89279%0.789SS**  trans103.4133.7151.5-151.2169.516400115.5
54Q41Very low39.5Very low135 Ų135123.5 Ų123.563%0.63179%0.793SS**  cis174.8142.5-10.2174.286.77500108.6
55Q36.3Very low39.6Very low135 Ų135126.4 Ų126.463%0.63179%0.794SS**  trans62.5143.5153.9-71.4161.231.300119.8
56H37.9Very low39.5Very low177 Ų177121.3 Ų121.382%0.81978%0.783SS**  cis-150165.543.9-81.7-93.5000114.6
57A35.8Very low39.4Very low89 Ų89120.3 Ų120.374%0.73677%0.774SS**  trans-96.6159.1179.600000113.8
58V41.1Very low38.9Very low152 Ų152124.7 Ų124.792%0.92177%0.772SS**  trans-162.8125.2134.8-98.50000108.9
59G34.4Very low38.5Very low63 Ų63127.8 Ų127.865%0.64978%0.775SS**  trans-99.9177.6165.900000111.4
60H39.7Very low37.6Very low178 Ų178129.9 Ų129.982%0.82478%0.776SS**  trans-178.4143.8136.3-102.662.5000110.7
61H38Very low37.5Very low180 Ų180132 Ų13283%0.83378%0.779SS**  trans51138.8148.875.8-38.9000121.6
62G32.9Very low37.4Very low70 Ų70131.5 Ų131.572%0.72278%0.775SS**  cis137122.86.300000111.7
63A35.1Very low37.4Very low95 Ų95131.9 Ų131.979%0.78578%0.778SS**  trans72114.8145.200000123.1
64V43.4Very low37.1Very low135 Ų135127 Ų12782%0.81877%0.774SS**  trans26.6134.9132.2-660000122.4
65T34.9Very low37.1Very low145 Ų145127 Ų12789%0.8978%0.783SS**  trans-160.5149.6133.2-4.20000111.9
66A34.7Very low37.6Very low75 Ų75126.2 Ų126.262%0.6279%0.79SS**  trans-110163.7-167.400000113Y68A66-Y68 PolarHBondContact O-OH 3.26Å
67A33.4Very low37.6Very low81 Ų81124.6 Ų124.667%0.66978%0.783SS**  trans63151.1167.400000113.6
68Y33.7Very low37.5Very low187 Ų187126.5 Ų126.573%0.73378%0.779SS**  -162.5161.253.8-31-85.2000110.6A66A66-Y68 PolarHBondContact O-OH 3.26Å
69H44Very low37.2Very low183 Ų183123.9 Ų123.985%0.84777%0.768SS**  trans79.8134.6145.884.2-74.1000124.4
70M37.1Very low37.4Very low172 Ų172129 Ų12985%0.84778%0.775SS**  trans-82.6162.7178-55.3-159.6-175.100113.2
71T34.3Very low37.1Very low143 Ų143126.2 Ų126.288%0.87778%0.775SS**  168.6144.8120.7-78.70000112.8
72A37.8Very low37.1Very low85 Ų85122 Ų12270%0.70277%0.772SS**  trans-79.9173.6-17800000115.2
73A38.1Very low37.7Very low108 Ų108125.7 Ų125.789%0.89378%0.78SS**  trans79130.815500000119
74G35.2Very low37.7Very low78 Ų78124.9 Ų124.980%0.80478%0.78SS**  trans160.586.1163.900000114.7
75V41Very low37.3Very low137 Ų137121.8 Ų121.883%0.8378%0.776SS**  trans-74.6153.3159.9-1540000108.7
76P48Very low37.9Very low117 Ų117125.9 Ų125.976%0.7678%0.777SS**  -142.2133.6104.821.20.7000112.8
77Q36.5Very low38.3Very low144 Ų144128.3 Ų128.367%0.67379%0.787SS**  93.8127.776.3-115.9-68.856.300113.8
78L34.1Very low38.5Very low128 Ų128132 Ų13267%0.6780%0.796SS**  trans76.8134.7157.8-54167.6000119.1
79S34Very low38.7Very low98 Ų98126.1 Ų126.169%0.68579%0.792SS**  cis-172135.9627.80000113.4
80H38.8Very low38.2Very low171 Ų171125 Ų12579%0.79279%0.793SS**  trans35.3126.2144-59.1-89.4000125
81S33.5Very low38.6Very low119 Ų119124.9 Ų124.983%0.83279%0.794SS**  169.5157.2105.9-76.80000110.4
82A37.7Very low38.6Very low92 Ų92121.6 Ų121.676%0.7679%0.789SS**  cis175.3128.3-33.600000105
83V45.6Very low38.7Very low147 Ų147125.5 Ų125.589%0.89180%0.798SS**  trans145.8112.315375.90000108
84G37Very low39Very low77 Ų77128 Ų12879%0.79479%0.793SS**  cis111.399.214.800000109.5
85G34.2Very low39.3Very low70 Ų70129 Ų12972%0.72279%0.788SS**  trans171.969172.200000115.7
86Y48.3Very low39.2Very low232 Ų232131.2 Ų131.291%0.9179%0.789SS**  trans-132.8123.7157.5-39.8-85.8000109.8
87C41.7Very low39Very low125 Ų125133.3 Ų133.385%0.84579%0.793SS**  trans176.4143.215847.10000105.1
88N37.2Very low39.6Very low160 Ų160132 Ų13286%0.85680%0.798SS**  cis-164.5161.49.8-158-35.6000106.1
89G39.3Very low40.2Very low63 Ų63131.4 Ų131.465%0.64980%0.801SS**  trans-71.4163.7174.300000113.3
90N33.3Very low40.3Very low160 Ų160137.3 Ų137.386%0.85681%0.81SS**  trans-146.8123.7156.8-159.443.5000110.6
91L44.8Very low40.3Very low168 Ų168137.4 Ų137.488%0.8881%0.811SS**  trans-71.8138.5167.1-72.885000108.7
92G35.1Very low40.7Very low74 Ų74138.2 Ų138.276%0.76381%0.806SS**  trans158.4107165.300000114.9
93N39.6Very low41.2Very low167 Ų167139.6 Ų139.689%0.89381%0.805SS**  trans103.8131.6144-141.812.4000119
94M43.5Very low41.2Very low160 Ų160141 Ų14179%0.78880%0.804SS**  trans-72.2159.9-175.6-165.1-161.2-169.100111
95S42.7Very low41.3Very low100 Ų100148.6 Ų148.670%0.69981%0.809SS**  trans94.2136.2152.8-48.70000117.8
96E37.7Very low41.4Very low183 Ų183152.7 Ų152.786%0.85581%0.814SS**  trans99.481.7157.5-128.2170.6125.600118.1
97L43.6Very low40.6Very low161 Ų161147.2 Ų147.284%0.84381%0.809SS**PPolyproline II helixtrans-67.7138.6148.7-71.5163.7000109.1
98P50.4Low40.9Very low118 Ų118146 Ų14677%0.76681%0.808SS**PPolyproline II helixtrans-70.7137.8174.325-29.7000111.6
99P46.6Very low41.2Very low115 Ų115144 Ų14475%0.74781%0.807SS**PPolyproline II helixtrans-78.2138.7-17330.4-33.3000112.5Q101P99-Q101 PolarHBondContact O-N 3.35Å
100Y35.3Very low41.3Very low221 Ų221144 Ų14487%0.86781%0.807SS**  trans-70.1108.4167.2-173-95.3000108.5D102Y100-D102 PolarHBondContact O-N 2.88Å
101Q40.1Very low42Very low173 Ų173142.7 Ų142.781%0.80881%0.807SS**  trans-78.4120.4175.2-108.7-157.32.200111.2P99P99-Q101 PolarHBondContact O-N 3.35Å
102D41.7Very low41.9Very low137 Ų137137.5 Ų137.573%0.73380%0.795SS**  trans-66.1123.3168.4-154.5-59.5000110.2Y100Y100-D102 PolarHBondContact O-N 2.88Å
103T46.8Very low42.4Very low120 Ų120145.9 Ų145.974%0.73680%0.803SS**  trans-148.684.5162-43.90000110.1
104M46.1Very low42.8Very low177 Ų177147.7 Ų147.787%0.87280%0.799SS**  trans-121.686.7153.2-71.7-138.8-164.500110.8
105R40.7Very low42.6Very low237 Ų237143.3 Ų143.389%0.89480%0.795SS**SBendtrans-160.6103148.9-149.979.6167.6-161.8-5.1111.5
106N36Very low42.9Very low156 Ų156143.4 Ų143.483%0.83480%0.802SS**  trans8089.7147.5-154.820.6000118.5
107S31.7Very low43.1Very low116 Ų116141.8 Ų141.881%0.81180%0.799SS**  -164.6137.6128.330.70000110.3S109S107-S109 PolarHBondContact O-N 3.32Å
108A46.8Very low43.4Very low100 Ų100140.1 Ų140.183%0.82680%0.798SS**  trans-72.3119-166.700000113.1
109S44Very low43.1Very low118 Ų118139.3 Ų139.383%0.82579%0.787SS**  trans-172.4116.2146.714.70000107.6S107S107-S109 PolarHBondContact O-N 3.32Å
110G41.2Very low43.6Very low63 Ų63140.1 Ų140.165%0.64979%0.792SS**  trans-61.2163.2-178.500000112.3G112G110-G112 VanDerWaalsContact C-N 3.31Å; G110-G112 PolarHBondContact O-N 3.44Å
111P48.3Very low44.3Very low132 Ų132139.6 Ų139.686%0.85779%0.789SS**  trans-66.796.9170.51.911.9000107.9W113P111-W113 PolarHBondContact O-N 3.18Å
112G41.4Very low44.4Very low60 Ų60139.5 Ų139.562%0.61979%0.786SS**  trans-61.9132.316600000108.6G110 Y114G110-G112 VanDerWaalsContact C-N 3.31Å; G110-G112 PolarHBondContact O-N 3.44Å; G112-Y114 PolarHBondContact O-N 2.95Å
113W46.2Very low44.9Very low250 Ų250138.5 Ų138.595%0.94779%0.787SS**SBendtrans-61.711.4175.3-80.990.3000115P111P111-W113 PolarHBondContact O-N 3.18Å
114Y48.2Very low45.2Very low204 Ų204137.2 Ų137.280%0.879%0.788SS**  trans-135.977.7176.9-80.8-84.3000109.2G112G112-Y114 PolarHBondContact O-N 2.95Å
115G39.1Very low45.5Very low69 Ų69136 Ų13671%0.71178%0.784SS**  trans-90106.6163.200000109.1N117G115-N117 PolarHBondContact O-N 3.35Å; G115-N117 VanDerWaalsContact O-N 3.1Å
116A48.3Very low46.1Very low101 Ų101129.5 Ų129.584%0.83578%0.775SS**  trans-70.196.9169.300000109.3
117N43.1Very low46.9Very low150 Ų150132.2 Ų132.280%0.80277%0.773SS**  trans-122.3114160.2-94.4-49.4000107.4G115 D119G115-N117 PolarHBondContact O-N 3.35Å; G115-N117 VanDerWaalsContact O-N 3.1Å; N117-D119 PolarHBondContact O-N 3.18Å; N117-D119 VanDerWaalsContact O-N 3.15Å
118P48.9Very low47.8Very low126 Ų126135 Ų13582%0.81877%0.771SS**  trans-79.692.6172.930.9-30.2000109.3
119D45.7Very low47.9Very low100 Ų100139 Ų13954%0.53578%0.775SS.*  trans-77.9125.5163-171.5-41.4000108.6N117 R121N117-D119 PolarHBondContact O-N 3.18Å; N117-D119 VanDerWaalsContact O-N 3.15Å; D119-R121 PolarHBondContact O-N 3.06Å; D119-R121 VanDerWaalsContact O-N 3.09Å; D119-R121 WeakPolarHBondContact OD1-CB 3.41Å; D119-R121 PolarHBondContact OD1-N 3.47Å
120P56.3Low47.7Very low132 Ų132135.9 Ų135.986%0.85776%0.762SS**THydrogen-bonded Turntrans-69.4-2.8-176.928.6-35.2000114.4
121R49.3Very low48.2Very low211 Ų211138.5 Ų138.580%0.79677%0.767SS**THydrogen-bonded Turntrans-86.8-5.2-177.6-80.5-171.7159.9103.4-1.9116.1D119D119-R121 PolarHBondContact O-N 3.06Å; D119-R121 VanDerWaalsContact O-N 3.09Å; D119-R121 WeakPolarHBondContact OD1-CB 3.41Å; D119-R121 PolarHBondContact OD1-N 3.47Å
122F42.7Very low48.2Very low170 Ų170137 Ų13775%0.74677%0.766SS**SBendtrans-138.1125.1177.3-68-82000112.1A124F122-A124 PolarHBondContact O-N 3.49Å; F122-A124 VanDerWaalsContact O-N 3.15Å
123P52.2Low48.5Very low117 Ų117139.8 Ų139.876%0.7678%0.776SS**  trans-68117.3171.327.1-30.2000108.7I125P123-I125 PolarHBondContact O-N 3.12Å; P123-I125 VanDerWaalsContact O-N 3.11Å
124A52.7Low48.3Very low92 Ų92131.4 Ų131.476%0.7677%0.767SS**  trans-56.8115.7173.700000109.2F122 S126F122-A124 PolarHBondContact O-N 3.49Å; F122-A124 VanDerWaalsContact O-N 3.15Å; A124-S126 VanDerWaalsContact C-N 3.28Å; A124-S126 PolarHBondContact O-N 3.36Å
125I52.5Low48.6Very low153 Ų153130.5 Ų130.579%0.78577%0.772SS**  trans-68.595.2167.4-71.9163.7000106.2P123 R127P123-I125 PolarHBondContact O-N 3.12Å; P123-I125 VanDerWaalsContact O-N 3.11Å; I125-R127 PolarHBondContact O-N 3.06Å
126S53Low49.3Very low99 Ų99134.3 Ų134.369%0.69278%0.776SS**  trans-57.4105.7167.4-71.90000108.4A124 F128A124-S126 VanDerWaalsContact C-N 3.28Å; A124-S126 PolarHBondContact O-N 3.36Å; S126-F128 PolarHBondContact O-N 3.01Å
127R52.8Low49.6Very low213 Ų213138 Ų13880%0.80478%0.779SS**  trans-76.873.1165.3-54179.1-172132.11.9106.4I125 M129I125-R127 PolarHBondContact O-N 3.06Å; R127-M129 PolarHBondContact O-N 2.81Å
128F50.8Low49.6Very low176 Ų176136.3 Ų136.377%0.77278%0.778SS**  trans-68.7104179-155.8-96.3000108.2S126 G130S126-F128 PolarHBondContact O-N 3.01Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.26Å
129M50.1Low49.3Very low183 Ų183133.8 Ų133.890%0.90178%0.775SS**  trans-66.398.7154.5-126.215870.400105.5R127R127-M129 PolarHBondContact O-N 2.81Å
130G39.7Very low49.2Very low53 Ų53137.9 Ų137.955%0.54679%0.793SS.*PPolyproline II helixtrans-80133.8170.400000110F128F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.26Å
131P50.4Low48.6Very low117 Ų117135.2 Ų135.276%0.7679%0.789SS**PPolyproline II helixtrans-77137.8160.530-27.4000109.5
132A49.3Very low48.5Very low102 Ų102128.5 Ų128.584%0.84379%0.786SS**PPolyproline II helixtrans-62.1132.2175.600000111.4
133S47.4Very low48.8Very low118 Ų118129.1 Ų129.183%0.82580%0.796SS**  trans-161.2132.1153.236.90000109.9
134G40.9Very low48.2Very low73 Ų73127 Ų12775%0.75380%0.795SS**  trans102.1103153.300000116.8
135M55Low47.9Very low185 Ų185127.8 Ų127.891%0.91180%0.795SS**  trans-58.2146.5164.3-55.576.7172.600112.5
136N54.7Low47.7Very low149 Ų149128.9 Ų128.980%0.79780%0.801SS**  -166.5118.1129.3-160.5-69.9000110.5
137M53.6Low47.3Very low180 Ų180127.6 Ų127.689%0.88780%0.804SS**  trans-100.9139.5160.2-82.4-125.8-167.200108.2
138S42.9Very low47.3Very low113 Ų113125.8 Ų125.879%0.7981%0.81SS**  trans144.8128.2149.1-66.20000108.2
139G43.6Very low47.3Very low73 Ų73123.4 Ų123.475%0.75381%0.81SS**  cis87.1723700000109.9
140M44.4Very low47.2Very low187 Ų187120.3 Ų120.392%0.92181%0.806SS**  trans-160.2121.5158.5-160.178.786.600109.5
141G42.9Very low48Very low75 Ų75127.2 Ų127.277%0.77382%0.821SS**  trans-84.6162164.800000111.4
142G46.5Very low47.9Very low70 Ų70128.9 Ų128.972%0.72282%0.824SS**  trans131.7104154.700000117.4
143L48.4Very low48Very low184 Ų184132.9 Ų132.996%0.96383%0.827SS**  trans70.4137.1137-49.4175.2000121.5
144G41.3Very low48.5Very low71 Ų71131 Ų13173%0.73282%0.819SS**  trans105.999.6161.700000113.6
145S46Very low49.1Very low110 Ų110133.6 Ų133.677%0.76982%0.823SS**  74.2128.376.9-161.60000114.5
146L48.3Very low49.4Very low175 Ų175132.1 Ų132.192%0.91682%0.818SS**  trans68.4127.6171.5-85121.1000119
147G43.7Very low49.5Very low72 Ų72130.9 Ų130.974%0.74282%0.818SS**  trans153.467.3159.300000115V149G147-V149 PolarHBondContact O-N 3.48Å; G147-V149 VanDerWaalsContact O-N 3.12Å
148D53.1Low49.9Very low175 Ų175127.6 Ų127.694%0.93681%0.812SS**  trans-57.2107.2158.3-138.6-74.9000108.3
149V51.8Low51Low126 Ų126126.1 Ų126.176%0.76481%0.807SS**  trans170102.1146.370.40000110.3G147G147-V149 PolarHBondContact O-N 3.48Å; G147-V149 VanDerWaalsContact O-N 3.12Å
150S48.3Very low52Low118 Ų118128.5 Ų128.583%0.82581%0.809SS**  trans-175.980.7145.9-90.90000109.6
151K54.7Low53.3Low198 Ų198131.1 Ų131.186%0.86181%0.809SS**  trans-66.8140.7148.6-70.1169.5178.7166.80107
152N50.2Low55Low153 Ų153138.8 Ų138.882%0.81881%0.814SS**  trans93.756.9174.5-64.932000118.5
153M49.7Very low56.4Low186 Ų186145.1 Ų145.192%0.91682%0.822SS**  trans-113.1103.4143.1-82.5-73173.400108.2
154A59Low58.1Low79 Ų79147.6 Ų147.665%0.65382%0.818SS**  trans-52140.5170.500000109.3L156A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 2.88Å
155P53.6Low60.4Low127 Ų127155 Ų15583%0.82583%0.825SS**  trans-67.2100.8172.512.1-2.9000107.1
156L60.8Low62.4Low154 Ų154155.8 Ų155.881%0.80682%0.824SS**  trans-49.6131.7162.8-69.6170.7000106.8A154 S158A154-L156 VanDerWaalsContact C-N 3.34Å; A154-L156 PolarHBondContact O-N 2.88Å; L156-S158 PolarHBondContact O-N 3.33Å
157P57.7Low64.6Low123 Ų123154.9 Ų154.980%0.79982%0.819SS**  trans-60.8104.1-179.624.3-32.3000107.8A159P157-A159 PolarHBondContact O-N 3.19Å; P157-A159 VanDerWaalsContact O-N 3.11Å
158S61.7Low67.2Low111 Ų111154.4 Ų154.478%0.77680%0.797SS**  trans-49.8122.8177.258.70000107.8L156L156-S158 PolarHBondContact O-N 3.33Å
159A65.1Low69.3Low81 Ų81148.7 Ų148.767%0.66977%0.771SS**  trans-41.9139.1-179.700000110.9P157 R161P157-A159 PolarHBondContact O-N 3.19Å; P157-A159 VanDerWaalsContact O-N 3.11Å; A159-R161 PolarHBondContact O-N 3.39Å
160P65Low71.5Confident124 Ų124150 Ų15081%0.80577%0.769SS**  trans-52.3104.9-175-24.531.5000110.6R162P160-R162 PolarHBondContact O-N 3.37Å
161R72.5Confident73.9Confident241 Ų241147.8 Ų147.891%0.90976%0.757SS**  trans-65112.2-176.2-147.3174.3-150.8-116.62.9107A159 K163A159-R161 PolarHBondContact O-N 3.39Å; R161-K163 PolarHBondContact O-N 3.12Å; R161-K163 VanDerWaalsContact O-N 3.16Å
162R77.4Confident75.9Confident237 Ų237140.1 Ų140.189%0.89472%0.724SS**PPolyproline II helixtrans-51.3125.5176.5-77.2-177.1-174.8161.42.6108.5P160 R164P160-R162 PolarHBondContact O-N 3.37Å; R162-R164 PolarHBondContact O-N 3.46Å
163K76.2Confident78.2Confident203 Ų203134.2 Ų134.288%0.88369%0.694SS**PPolyproline II helixtrans-54.3123.5177.9-79.2160.2177.5171.80109R161 R165R161-K163 PolarHBondContact O-N 3.12Å; R161-K163 VanDerWaalsContact O-N 3.16Å; K163-R165 PolarHBondContact O-N 3.19Å
164R84.3Confident80.6Confident235 Ų235131.9 Ų131.989%0.88768%0.676SS**PPolyproline II helixtrans-58.5131.3179.5-164.5172.983.3-175.75108.4R162 V166R162-R164 PolarHBondContact O-N 3.46Å; R164-V166 PolarHBondContact O-N 3.44Å
165R88.9Confident82.4Confident228 Ų228130.8 Ų130.886%0.8666%0.657SS**PPolyproline II helixtrans-63.2131174.2-71.3-178175.9171.9-1.5108.8K163K163-R165 PolarHBondContact O-N 3.19Å
166V88.4Confident84.6Confident125 Ų125124.7 Ų124.776%0.75862%0.618SS**PPolyproline II helixtrans-90.4128.6172.7-179.20000107.6R164R164-V166 PolarHBondContact O-N 3.44Å
167L94.5Very high86.4Confident156 Ų156120.7 Ų120.782%0.81760%0.595SS**PPolyproline II helixtrans-95.2147.8174.5-61.7177.9000109.5
168F97.6Very high88.3Confident62 Ų62120.7 Ų120.727%0.27258%0.579SS.*PPolyproline II helixtrans-74.4146171.4-57.8-32.2000110.1Q172 V173 L176 L200 Q204 W208F168-Q172 HydrophobicContact CB-CB 4.26Å; F168-V173 HydrophobicContact CB-CG2 3.96Å; F168-L176 HydrophobicContact CD2-CD1 4.22Å; F168-L200 HydrophobicContact CD1-CD1 4.22Å; F168-L200 HydrophobicContact CD1-CD2 3.87Å; F168-L200 HydrophobicContact CE1-CD1 4.17Å; F168-L200 HydrophobicContact CE1-CD2 3.82Å; F168-L200 HydrophobicContact CE2-CD1 4.44Å; F168-L200 HydrophobicContact CG-CD1 4.42Å; F168-L200 HydrophobicContact CZ-CD1 4.28Å; F168-Q204 HydrophobicContact CE1-CB 4.47Å; F168-Q204 HydrophobicContact CE1-CG 4.44Å; F168-Q204 HydrophobicContact CZ-CB 4.05Å; F168-Q204 HydrophobicContact CZ-CG 4.3Å; F168-W208 AromaticContact CD2-CD1 3.75Å; F168-W208 HydrophobicContact CE2-CB 4.24Å; F168-W208 AromaticContact CE2-CD1 3.62Å; F168-W208 HydrophobicContact CE2-CG 4.25Å
169S98.1Very high90.1Very high56 Ų56119.4 Ų119.439%0.39256%0.557SS.*PPolyproline II helixtrans-67.8160.2173.567.10000111.3A171 Q172 V173S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.22Å; S169-Q172 WeakPolarHBondContact O-CB 3.48Å; S169-Q172 PolarHBondContact O-N 3.39Å; S169-Q172 VanDerWaalsContact OG-CD 3.32Å; S169-Q172 VanDerWaalsContact OG-CG 3.23Å; S169-Q172 WeakPolarHBondContact OG-CG 3.38Å; S169-Q172 PolarHBondContact OG-N 3.47Å; S169-Q172 PolarHBondContact OG-OE1 3.39Å; S169-Q172 VanDerWaalsContact OG-OE1 3.06Å; S169-V173 WeakPolarHBondContact O-CG2 3.32Å; S169-V173 PolarHBondContact O-N 3.33Å
170Q98Very high91.7Very high153 Ų153115.8 Ų115.872%0.71553%0.526SS*.Hα-helixtrans-61.5-38.1179.8-170.46215.300112.5V173 Y174Q170-V173 PolarHBondContact O-N 2.98Å; Q170-Y174 WeakPolarHBondContact O-CB 3.23Å; Q170-Y174 PolarHBondContact O-N 3.38Å
171A97.9Very high93.2Very high71 Ų71117.5 Ų117.559%0.58752%0.521SS*.Hα-helixtrans-63-41.8176.200000112S169 Y174 E175S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.22Å; A171-Y174 PolarHBondContact O-N 2.79Å; A171-E175 PolarHBondContact O-N 2.92Å; A171-E175 VanDerWaalsContact O-N 3.12Å
172Q98.4Very high94.4Very high37 Ų37111.4 Ų111.417%0.17350%0.503CS..Hα-helixtrans-63.2-44.5175.1-73.3168.9-34.600111.6F168 S169 Y174 E175 L176 I198F168-Q172 HydrophobicContact CB-CB 4.26Å; S169-Q172 WeakPolarHBondContact O-CB 3.48Å; S169-Q172 PolarHBondContact O-N 3.39Å; S169-Q172 VanDerWaalsContact OG-CD 3.32Å; S169-Q172 VanDerWaalsContact OG-CG 3.23Å; S169-Q172 WeakPolarHBondContact OG-CG 3.38Å; S169-Q172 PolarHBondContact OG-N 3.47Å; S169-Q172 PolarHBondContact OG-OE1 3.39Å; S169-Q172 VanDerWaalsContact OG-OE1 3.06Å; Q172-Y174 VanDerWaalsContact C-N 3.33Å; Q172-Y174 PolarHBondContact O-N 3.11Å; Q172-E175 PolarHBondContact O-N 3.5Å; Q172-L176 WeakPolarHBondContact O-CB 3.48Å; Q172-L176 WeakPolarHBondContact O-CD1 3.43Å; Q172-L176 WeakPolarHBondContact O-CG 3.19Å; Q172-L176 PolarHBondContact O-N 3.48Å; Q172-I198 HydrophobicContact CG-CB 4.34Å; Q172-I198 WeakPolarHBondContact CG-O 3.33Å; Q172-I198 PolarHBondContact NE2-O 3.36Å
173V98.4Very high95.4Very high29 Ų29103 Ų10318%0.17647%0.474CS..Hα-helixtrans-62.7-42.3177.3176.40000110.9F168 S169 Q170 L176 E177F168-V173 HydrophobicContact CB-CG2 3.96Å; S169-V173 WeakPolarHBondContact O-CG2 3.32Å; S169-V173 PolarHBondContact O-N 3.33Å; Q170-V173 PolarHBondContact O-N 2.98Å; V173-L176 PolarHBondContact O-N 3.31Å; V173-E177 HydrophobicContact CG1-CG 4.25Å; V173-E177 WeakPolarHBondContact O-CB 3.42Å; V173-E177 WeakPolarHBondContact O-CG 3.32Å; V173-E177 PolarHBondContact O-N 2.85Å
174Y98.4Very high96.4Very high137 Ų13796.7 Ų96.754%0.53745%0.447SS..Hα-helixtrans-58.2-49.6177.9173.4-94.1000112.3Q170 A171 Q172 L176 E177 R178Q170-Y174 WeakPolarHBondContact O-CB 3.23Å; Q170-Y174 PolarHBondContact O-N 3.38Å; A171-Y174 PolarHBondContact O-N 2.79Å; Q172-Y174 VanDerWaalsContact C-N 3.33Å; Q172-Y174 PolarHBondContact O-N 3.11Å; Y174-L176 PolarHBondContact O-N 3.17Å; Y174-E177 PolarHBondContact O-N 3.5Å; Y174-R178 WeakPolarHBondContact O-CB 3.47Å; Y174-R178 PolarHBondContact O-N 3.13Å
175E98.5Very high97.1Very high56 Ų5692.9 Ų92.926%0.26243%0.433SS..Hα-helixtrans-66.1-37.8179.1-77.7-59146.600112.3A171 Q172 E177 R178 R179 I198A171-E175 PolarHBondContact O-N 2.92Å; A171-E175 VanDerWaalsContact O-N 3.12Å; Q172-E175 PolarHBondContact O-N 3.5Å; E175-E177 PolarHBondContact O-N 3.41Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 IonicContact OE1-NH1 3.18Å; E175-R178 PolarHBondContact OE1-NH1 3.16Å; E175-R178 IonicContact OE2-NH1 3.53Å; E175-R179 WeakPolarHBondContact O-CB 3.17Å; E175-R179 PolarHBondContact O-N 3.35Å; E175-I198 HydrophobicContact CB-CG2 3.67Å; E175-I198 HydrophobicContact CG-CG2 4.14Å
176L98.6Very high97.5Very high0 Ų082.9 Ų82.90%040%0.397CS..Hα-helixtrans-60.1-45.4172.8-73165.3000111.5F168 Q172 V173 Y174 F180 L194 I198 L200 V205 W208 F209F168-L176 HydrophobicContact CD2-CD1 4.22Å; Q172-L176 WeakPolarHBondContact O-CB 3.48Å; Q172-L176 WeakPolarHBondContact O-CD1 3.43Å; Q172-L176 WeakPolarHBondContact O-CG 3.19Å; Q172-L176 PolarHBondContact O-N 3.48Å; V173-L176 PolarHBondContact O-N 3.31Å; Y174-L176 PolarHBondContact O-N 3.17Å; L176-F180 VanDerWaalsContact O-CB 3.23Å; L176-F180 WeakPolarHBondContact O-CB 3.46Å; L176-F180 PolarHBondContact O-N 3.09Å; L176-L194 HydrophobicContact CD2-CD2 4.17Å; L176-I198 HydrophobicContact CD1-CD1 4.29Å; L176-I198 HydrophobicContact CD2-CD1 3.67Å; L176-I198 HydrophobicContact CG-CD1 3.72Å; L176-L200 HydrophobicContact CD1-CD1 4.12Å; L176-V205 HydrophobicContact CD2-CG1 4.15Å; L176-V205 HydrophobicContact CD2-CG2 4.4Å; L176-W208 HydrophobicContact CB-CD2 3.92Å; L176-W208 HydrophobicContact CB-CE3 3.87Å; L176-W208 HydrophobicContact CB-CH2 3.64Å; L176-W208 HydrophobicContact CB-CZ2 3.68Å; L176-W208 HydrophobicContact CB-CZ3 3.75Å; L176-W208 HydrophobicContact CD1-CD2 3.84Å; L176-W208 HydrophobicContact CD1-CE3 4.48Å; L176-W208 HydrophobicContact CD1-CG 3.82Å; L176-W208 HydrophobicContact CD2-CD2 4.22Å; L176-W208 HydrophobicContact CD2-CE3 4.1Å; L176-W208 HydrophobicContact CD2-CG 4.49Å; L176-W208 HydrophobicContact CG-CD2 4.22Å; L176-W208 HydrophobicContact CG-CE3 4.38Å; L176-F209 HydrophobicContact CD2-CD2 4.43Å; L176-F209 HydrophobicContact CD2-CE2 3.94Å
177E98.3Very high98Very high70 Ų7079.5 Ų79.533%0.32738%0.378SS..Hα-helixtrans-67.7-42177.7-73.4-175.5173.100112.6V173 Y174 E175 R179 F180 K181 W208V173-E177 HydrophobicContact CG1-CG 4.25Å; V173-E177 WeakPolarHBondContact O-CB 3.42Å; V173-E177 WeakPolarHBondContact O-CG 3.32Å; V173-E177 PolarHBondContact O-N 2.85Å; Y174-E177 PolarHBondContact O-N 3.5Å; E175-E177 PolarHBondContact O-N 3.41Å; E177-R179 PolarHBondContact O-N 2.96Å; E177-F180 PolarHBondContact O-N 2.89Å; E177-K181 WeakPolarHBondContact O-CG 3.23Å; E177-K181 PolarHBondContact O-N 3.28Å; E177-W208 HydrophobicContact CB-CH2 4.49Å; E177-W208 HydrophobicContact CG-CH2 3.77Å; E177-W208 HydrophobicContact CG-CZ2 3.84Å
178R98.5Very high98.2Very high123 Ų12374.7 Ų74.746%0.46436%0.362SS..Hα-helixtrans-56.8-50.2174.9179.7-174.5175.3-167.20.2110.4Y174 E175 K181 Q182Y174-R178 WeakPolarHBondContact O-CB 3.47Å; Y174-R178 PolarHBondContact O-N 3.13Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 IonicContact OE1-NH1 3.18Å; E175-R178 PolarHBondContact OE1-NH1 3.16Å; E175-R178 IonicContact OE2-NH1 3.53Å; R178-K181 PolarHBondContact O-N 3.45Å; R178-Q182 PolarHBondContact O-N 2.92Å
179R98.3Very high98.2Very high84 Ų8475.8 Ų75.832%0.31738%0.375SS..Hα-helixtrans-69-35.5179-16656.4177-179.50.8112.2E175 E177 K181 Q182 Q183 L186 E190 L194 F209E175-R179 WeakPolarHBondContact O-CB 3.17Å; E175-R179 PolarHBondContact O-N 3.35Å; E177-R179 PolarHBondContact O-N 2.96Å; R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 3.34Å; R179-Q182 VanDerWaalsContact CD-OE1 3.28Å; R179-Q182 WeakPolarHBondContact O-CB 3.37Å; R179-Q182 PolarHBondContact O-N 2.82Å; R179-Q182 VanDerWaalsContact O-N 3.16Å; R179-Q183 PolarHBondContact O-N 3.29Å; R179-L186 HydrophobicContact CG-CD2 4.23Å; R179-E190 IonicContact NH2-OE1 3.36Å; R179-L194 HydrophobicContact CB-CD2 4.15Å; R179-L194 HydrophobicContact CG-CD2 4.11Å; R179-F209 HydrophobicContact CB-CZ 4.46Å; R179-F209 HydrophobicContact CG-CZ 4.49Å
180F98.4Very high98.2Very high4 Ų475.9 Ų75.92%0.01837%0.369CS..Hα-helixtrans-64.2-33.7175.5-173.2-97.3000113.4L176 E177 Q182 Q183 K184 W208 F209 H212 R213 M216L176-F180 VanDerWaalsContact O-CB 3.23Å; L176-F180 WeakPolarHBondContact O-CB 3.46Å; L176-F180 PolarHBondContact O-N 3.09Å; E177-F180 PolarHBondContact O-N 2.89Å; F180-Q182 VanDerWaalsContact C-N 3.29Å; F180-Q183 CarbonylContact O-C 3.56Å; F180-K184 HydrophobicContact CD1-CD 3.88Å; F180-K184 VanDerWaalsContact CD1-NZ 3.32Å; F180-K184 HydrophobicContact CD2-CD 4.32Å; F180-K184 HydrophobicContact CE1-CD 3.29Å; F180-K184 VanDerWaalsContact CE1-NZ 3.26Å; F180-K184 HydrophobicContact CE2-CB 4.25Å; F180-K184 HydrophobicContact CE2-CD 3.81Å; F180-K184 HydrophobicContact CG-CD 4.35Å; F180-K184 HydrophobicContact CZ-CB 4.36Å; F180-K184 HydrophobicContact CZ-CD 3.26Å; F180-K184 HydrophobicContact CZ-CG 4.38Å; F180-K184 WeakPolarHBondContact O-CD 3.13Å; F180-K184 WeakPolarHBondContact O-CE 3.49Å; F180-K184 PolarHBondContact O-NZ 3.43Å; F180-W208 HydrophobicContact CB-CH2 4.36Å; F180-W208 HydrophobicContact CB-CZ3 4.03Å; F180-W208 HydrophobicContact CD2-CZ3 4.4Å; F180-W208 HydrophobicContact CG-CZ3 4.35Å; F180-F209 HydrophobicContact CB-CE1 4.25Å; F180-F209 HydrophobicContact CB-CZ 4.32Å; F180-F209 AromaticContact CD2-CD1 3.75Å; F180-F209 HydrophobicContact CD2-CD1 3.75Å; F180-F209 AromaticContact CD2-CE1 3.76Å; F180-F209 HydrophobicContact CD2-CE1 3.76Å; F180-F209 HydrophobicContact CD2-CZ 4.5Å; F180-F209 HydrophobicContact CE2-CD1 4.34Å; F180-H212 AromaticContact CD1-CD2 3.3Å; F180-H212 WeakPolarHBondContact CD1-CD2 3.42Å; F180-H212 AromaticContact CD1-NE2 3.29Å; F180-H212 VanDerWaalsContact CD1-NE2 3.29Å; F180-H212 WeakPolarHBondContact CD1-NE2 2.91Å; F180-H212 HydrophobicContact CD2-CB 4.48Å; F180-H212 AromaticContact CE1-CD2 3Å; F180-H212 WeakPolarHBondContact CE1-CD2 3.45Å; F180-H212 AromaticContact CE1-NE2 3.29Å; F180-H212 VanDerWaalsContact CE1-NE2 3.29Å; F180-H212 WeakPolarHBondContact CE1-NE2 3.39Å; F180-H212 HydrophobicContact CE2-CB 4.29Å; F180-H212 AromaticContact CE2-CD2 3.79Å; F180-H212 AromaticContact CG-CD2 3.83Å; F180-H212 HydrophobicContact CZ-CB 4.49Å; F180-H212 AromaticContact CZ-CD2 3.27Å; F180-H212 WeakPolarHBondContact CZ-CD2 3.27Å; F180-R213 HydrophobicContact CE2-CG 3.75Å; F180-R213 HydrophobicContact CZ-CG 3.95Å; F180-M216 HydrophobicContact CE1-SD 4.33Å
181K97.8Very high98.2Very high161 Ų16171.3 Ų71.370%0.735%0.345SS*.Hα-helixtrans-62.5-39.6173.6-74.9172.1-176.6176.80111.3E177 R178 R179E177-K181 WeakPolarHBondContact O-CG 3.23Å; E177-K181 PolarHBondContact O-N 3.28Å; R178-K181 PolarHBondContact O-N 3.45Å; R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 3.34Å
182Q97.9Very high98.2Very high113 Ų11373.2 Ų73.253%0.52834%0.342SS..Hα-helixtrans-72.6-43.6177.9-62167.74.600111.8R178 R179 F180R178-Q182 PolarHBondContact O-N 2.92Å; R179-Q182 VanDerWaalsContact CD-OE1 3.28Å; R179-Q182 WeakPolarHBondContact O-CB 3.37Å; R179-Q182 PolarHBondContact O-N 2.82Å; R179-Q182 VanDerWaalsContact O-N 3.16Å; F180-Q182 VanDerWaalsContact C-N 3.29Å
183Q97.9Very high98.3Very high60 Ų6077.2 Ų77.228%0.2836%0.36SS..  trans-147.3119.7-173-170.3173.9-35.400111.3R179 F180 Y185 L186 E190 F209R179-Q183 PolarHBondContact O-N 3.29Å; F180-Q183 CarbonylContact O-C 3.56Å; Q183-Y185 VanDerWaalsContact C-N 3.3Å; Q183-Y185 VanDerWaalsContact CG-O 3.24Å; Q183-Y185 WeakPolarHBondContact CG-O 3.37Å; Q183-Y185 PolarHBondContact NE2-O 3.07Å; Q183-Y185 PolarHBondContact O-N 2.86Å; Q183-L186 HydrophobicContact CB-CD2 4.38Å; Q183-L186 HydrophobicContact CG-CD2 4.32Å; Q183-E190 VanDerWaalsContact NE2-CD 3.32Å; Q183-E190 PolarHBondContact NE2-OE1 3.49Å; Q183-E190 PolarHBondContact NE2-OE2 3.45Å; Q183-E190 PolarHBondContact OE1-OE1 3.47Å; Q183-F209 WeakPolarHBondContact O-CE1 3.47Å
184K97.5Very high98.3Very high71 Ų7176 Ų7631%0.30935%0.353SS..SBendtrans-75.9-18.2-176.3-56.4-64.6170.6-151.80113.7F180 R213F180-K184 HydrophobicContact CD1-CD 3.88Å; F180-K184 VanDerWaalsContact CD1-NZ 3.32Å; F180-K184 HydrophobicContact CD2-CD 4.32Å; F180-K184 HydrophobicContact CE1-CD 3.29Å; F180-K184 VanDerWaalsContact CE1-NZ 3.26Å; F180-K184 HydrophobicContact CE2-CB 4.25Å; F180-K184 HydrophobicContact CE2-CD 3.81Å; F180-K184 HydrophobicContact CG-CD 4.35Å; F180-K184 HydrophobicContact CZ-CB 4.36Å; F180-K184 HydrophobicContact CZ-CD 3.26Å; F180-K184 HydrophobicContact CZ-CG 4.38Å; F180-K184 WeakPolarHBondContact O-CD 3.13Å; F180-K184 WeakPolarHBondContact O-CE 3.49Å; F180-K184 PolarHBondContact O-NZ 3.43Å; K184-R213 WeakPolarHBondContact O-CD 3.5Å
185Y98.1Very high98.3Very high154 Ų15469.6 Ų69.660%0.60433%0.328SS*.SBendtrans-137.2117.9-175.3-63.8-99.4000109.8Q183Q183-Y185 VanDerWaalsContact C-N 3.3Å; Q183-Y185 VanDerWaalsContact CG-O 3.24Å; Q183-Y185 WeakPolarHBondContact CG-O 3.37Å; Q183-Y185 PolarHBondContact NE2-O 3.07Å; Q183-Y185 PolarHBondContact O-N 2.86Å
186L98.1Very high98.3Very high18 Ų1871.1 Ų71.19%0.09435%0.345CS..  trans-96.2136.1176.7-62.1179.5000111.5R179 Q183 E190 R191 L194 V205 F209R179-L186 HydrophobicContact CG-CD2 4.23Å; Q183-L186 HydrophobicContact CB-CD2 4.38Å; Q183-L186 HydrophobicContact CG-CD2 4.32Å; L186-E190 HydrophobicContact CB-CB 4.35Å; L186-E190 HydrophobicContact CD2-CB 4.22Å; L186-R191 HydrophobicContact CB-CB 4.49Å; L186-R191 PolarHBondContact O-NH2 3.48Å; L186-L194 HydrophobicContact CD1-CD2 3.78Å; L186-V205 HydrophobicContact CD1-CG1 4.18Å; L186-F209 HydrophobicContact CD1-CD1 4.27Å; L186-F209 HydrophobicContact CD1-CD2 4.21Å; L186-F209 HydrophobicContact CD1-CE1 3.71Å; L186-F209 HydrophobicContact CD1-CE2 3.63Å; L186-F209 HydrophobicContact CD1-CZ 3.36Å; L186-F209 HydrophobicContact CD2-CE1 4.26Å; L186-F209 HydrophobicContact CD2-CZ 4.42Å; L186-F209 HydrophobicContact CG-CD1 4.06Å; L186-F209 HydrophobicContact CG-CE1 3.57Å; L186-F209 HydrophobicContact CG-CE2 4.41Å; L186-F209 HydrophobicContact CG-CZ 3.78Å
187S98.3Very high98.2Very high54 Ų5476.1 Ų76.138%0.37837%0.37SS..  trans-66.4168.9164.968.60000111.1E190 R191S187-E190 VanDerWaalsContact CB-OE2 3.27Å; S187-E190 WeakPolarHBondContact CB-OE2 3.29Å; S187-E190 PolarHBondContact N-OE2 3.25Å; S187-E190 WeakPolarHBondContact OG-CG 3.3Å; S187-E190 PolarHBondContact OG-OE2 3.47Å; S187-R191 WeakPolarHBondContact O-CB 3.29Å; S187-R191 PolarHBondContact O-N 2.95Å; S187-R191 VanDerWaalsContact O-N 3.15Å
188A98.1Very high98.2Very high56 Ų5673.4 Ų73.446%0.46336%0.357SS..Hα-helixtrans-56.8-53.9177.900000113.3E190 R191 E192A188-E190 PolarHBondContact O-N 3.33Å; A188-R191 WeakPolarHBondContact O-CB 3Å; A188-R191 PolarHBondContact O-N 3.18Å; A188-R191 VanDerWaalsContact O-N 3.15Å; A188-E192 PolarHBondContact O-N 3.09Å; A188-E192 VanDerWaalsContact O-N 3.1Å
189P98.3Very high98.2Very high85 Ų8575.5 Ų75.555%0.55237%0.372SS*.Hα-helixtrans-65.1-37.6-177.324.6-35.3000112.9R191 E192 H193P189-R191 PolarHBondContact O-N 3Å; P189-E192 PolarHBondContact O-N 3.3Å; P189-H193 PolarHBondContact O-N 2.87Å
190E98.3Very high98.2Very high57 Ų5772.5 Ų72.527%0.26636%0.362SS..Hα-helixtrans-63.5-35.3176.8-67170.4125.600112.1R179 Q183 L186 S187 A188 L194R179-E190 IonicContact NH2-OE1 3.36Å; Q183-E190 VanDerWaalsContact NE2-CD 3.32Å; Q183-E190 PolarHBondContact NE2-OE1 3.49Å; Q183-E190 PolarHBondContact NE2-OE2 3.45Å; Q183-E190 PolarHBondContact OE1-OE1 3.47Å; L186-E190 HydrophobicContact CB-CB 4.35Å; L186-E190 HydrophobicContact CD2-CB 4.22Å; S187-E190 VanDerWaalsContact CB-OE2 3.27Å; S187-E190 WeakPolarHBondContact CB-OE2 3.29Å; S187-E190 PolarHBondContact N-OE2 3.25Å; S187-E190 WeakPolarHBondContact OG-CG 3.3Å; S187-E190 PolarHBondContact OG-OE2 3.47Å; A188-E190 PolarHBondContact O-N 3.33Å; E190-L194 WeakPolarHBondContact O-CB 3.27Å; E190-L194 PolarHBondContact O-N 3.45Å
191R98.6Very high98.2Very high57 Ų5775.5 Ų75.522%0.21538%0.381CS..Hα-helixtrans-69-41.3177.3-164.2-175.8-49.6133.75.7111.5L186 S187 A188 P189 H193 L194 A195 P202 V205L186-R191 HydrophobicContact CB-CB 4.49Å; L186-R191 PolarHBondContact O-NH2 3.48Å; S187-R191 WeakPolarHBondContact O-CB 3.29Å; S187-R191 PolarHBondContact O-N 2.95Å; S187-R191 VanDerWaalsContact O-N 3.15Å; A188-R191 WeakPolarHBondContact O-CB 3Å; A188-R191 PolarHBondContact O-N 3.18Å; A188-R191 VanDerWaalsContact O-N 3.15Å; P189-R191 PolarHBondContact O-N 3Å; R191-H193 VanDerWaalsContact C-N 3.35Å; R191-L194 PolarHBondContact O-N 3.37Å; R191-A195 WeakPolarHBondContact O-CB 3.35Å; R191-A195 PolarHBondContact O-N 3.24Å; R191-P202 WeakPolarHBondContact CD-O 3.3Å; R191-P202 HydrophobicContact CG-CB 4.36Å; R191-V205 HydrophobicContact CG-CB 3.73Å; R191-V205 HydrophobicContact CG-CG1 3.63Å
192E98.5Very high98.2Very high112 Ų11270.3 Ų70.352%0.52336%0.364SS..Hα-helixtrans-62.5-43.5176.4-70.9173.9175.800111.4A188 P189 A195 S196 P202A188-E192 PolarHBondContact O-N 3.09Å; A188-E192 VanDerWaalsContact O-N 3.1Å; P189-E192 PolarHBondContact O-N 3.3Å; E192-A195 PolarHBondContact O-N 3.16Å; E192-S196 WeakPolarHBondContact O-CB 3.49Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 2.8Å; E192-P202 HydrophobicContact CG-CB 4.47Å; E192-P202 HydrophobicContact CG-CG 4.13Å
193H98.5Very high98.2Very high120 Ų12069.1 Ų69.156%0.55636%0.364SS*.Hα-helixtrans-61.9-50175.6-17866.3000111.9P189 R191 A195 S196 M197P189-H193 PolarHBondContact O-N 2.87Å; R191-H193 VanDerWaalsContact C-N 3.35Å; H193-A195 PolarHBondContact O-N 3.36Å; H193-S196 PolarHBondContact O-N 3.05Å; H193-M197 PolarHBondContact NE2-SD 3.03Å; H193-M197 WeakPolarHBondContact O-CG 3.4Å; H193-M197 PolarHBondContact O-N 3.03Å; H193-M197 VanDerWaalsContact O-N 3.11Å
194L98.5Very high98.2Very high5 Ų569.6 Ų69.63%0.02637%0.366CS..Hα-helixtrans-61-45.4178.5-177.860.5000111.9L176 R179 L186 E190 R191 S196 M197 I198 V205 F209L176-L194 HydrophobicContact CD2-CD2 4.17Å; R179-L194 HydrophobicContact CB-CD2 4.15Å; R179-L194 HydrophobicContact CG-CD2 4.11Å; L186-L194 HydrophobicContact CD1-CD2 3.78Å; E190-L194 WeakPolarHBondContact O-CB 3.27Å; E190-L194 PolarHBondContact O-N 3.45Å; R191-L194 PolarHBondContact O-N 3.37Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.03Å; L194-M197 HydrophobicContact CD1-CE 3.86Å; L194-M197 PolarHBondContact O-N 2.95Å; L194-I198 HydrophobicContact CD1-CD1 4.35Å; L194-I198 HydrophobicContact CD1-CG2 4.23Å; L194-I198 HydrophobicContact CG-CD1 4.14Å; L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 2.81Å; L194-I198 VanDerWaalsContact O-N 3.13Å; L194-V205 HydrophobicContact CD2-CG1 3.89Å; L194-F209 HydrophobicContact CD2-CE2 3.96Å; L194-F209 HydrophobicContact CD2-CZ 4.25Å
195A98.6Very high98.3Very high2 Ų266.2 Ų66.22%0.01735%0.352CS..Hα-helixtrans-54.9-44.4177.100000111.7R191 E192 H193 H199 L200 P202 V205R191-A195 WeakPolarHBondContact O-CB 3.35Å; R191-A195 PolarHBondContact O-N 3.24Å; E192-A195 PolarHBondContact O-N 3.16Å; H193-A195 PolarHBondContact O-N 3.36Å; A195-H199 PolarHBondContact O-N 3.18Å; A195-H199 VanDerWaalsContact O-N 3.09Å; A195-L200 CarbonylContact C-O 3.39Å; A195-L200 VanDerWaalsContact CB-O 3.26Å; A195-L200 WeakPolarHBondContact CB-O 3.49Å; A195-L200 PolarHBondContact O-N 3.11Å; A195-L200 VanDerWaalsContact O-O 3.05Å; A195-P202 HydrophobicContact CB-CB 4.45Å; A195-P202 HydrophobicContact CB-CG 4Å; A195-V205 HydrophobicContact CB-CG2 3.96Å
196S98.5Very high98.3Very high87 Ų8764.2 Ų64.261%0.60835%0.346SS*.Hα-helixtrans-63.6-42177.7-56.20000112.3E192 H193 L194E192-S196 WeakPolarHBondContact O-CB 3.49Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 2.8Å; H193-S196 PolarHBondContact O-N 3.05Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.03Å
197M98.1Very high98.3Very high105 Ų10567 Ų6752%0.51736%0.361SS..Hα-helixtrans-67.1-37.4-179.7-69.5-168.4-61.700113.9H193 L194H193-M197 PolarHBondContact NE2-SD 3.03Å; H193-M197 WeakPolarHBondContact O-CG 3.4Å; H193-M197 PolarHBondContact O-N 3.03Å; H193-M197 VanDerWaalsContact O-N 3.11Å; L194-M197 HydrophobicContact CD1-CE 3.86Å; L194-M197 PolarHBondContact O-N 2.95Å
198I97.9Very high98.3Very high14 Ų1466 Ų667%0.07235%0.349CS..THydrogen-bonded Turntrans-10310.5-17571.2-175.5000113.1Q172 E175 L176 L194 L200 V205Q172-I198 HydrophobicContact CG-CB 4.34Å; Q172-I198 WeakPolarHBondContact CG-O 3.33Å; Q172-I198 PolarHBondContact NE2-O 3.36Å; E175-I198 HydrophobicContact CB-CG2 3.67Å; E175-I198 HydrophobicContact CG-CG2 4.14Å; L176-I198 HydrophobicContact CD1-CD1 4.29Å; L176-I198 HydrophobicContact CD2-CD1 3.67Å; L176-I198 HydrophobicContact CG-CD1 3.72Å; L194-I198 HydrophobicContact CD1-CD1 4.35Å; L194-I198 HydrophobicContact CD1-CG2 4.23Å; L194-I198 HydrophobicContact CG-CD1 4.14Å; L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 2.81Å; L194-I198 VanDerWaalsContact O-N 3.13Å; I198-L200 VanDerWaalsContact C-N 3.31Å; I198-L200 HydrophobicContact CD1-CB 4.44Å; I198-L200 HydrophobicContact CD1-CD1 3.7Å; I198-L200 HydrophobicContact CD1-CG 4.19Å; I198-L200 HydrophobicContact CG1-CB 4.05Å; I198-L200 HydrophobicContact CG1-CD1 3.99Å; I198-L200 HydrophobicContact CG1-CG 3.9Å; I198-L200 PolarHBondContact O-N 3.37Å; I198-V205 HydrophobicContact CD1-CG2 4.36Å
199H98.3Very high98.3Very high166 Ų16663.8 Ų63.877%0.76933%0.329SS*.THydrogen-bonded Turntrans51.346.4-178.1-54.4-63.7000113.3A195A195-H199 PolarHBondContact O-N 3.18Å; A195-H199 VanDerWaalsContact O-N 3.09Å
200L97.9Very high98.3Very high21 Ų2163.7 Ų63.711%0.1132%0.321CS..  trans-116.3165.2170.9-67.6-176.9000109.8F168 L176 A195 I198 Q204 V205F168-L200 HydrophobicContact CD1-CD1 4.22Å; F168-L200 HydrophobicContact CD1-CD2 3.87Å; F168-L200 HydrophobicContact CE1-CD1 4.17Å; F168-L200 HydrophobicContact CE1-CD2 3.82Å; F168-L200 HydrophobicContact CE2-CD1 4.44Å; F168-L200 HydrophobicContact CG-CD1 4.42Å; F168-L200 HydrophobicContact CZ-CD1 4.28Å; L176-L200 HydrophobicContact CD1-CD1 4.12Å; A195-L200 CarbonylContact C-O 3.39Å; A195-L200 VanDerWaalsContact CB-O 3.26Å; A195-L200 WeakPolarHBondContact CB-O 3.49Å; A195-L200 PolarHBondContact O-N 3.11Å; A195-L200 VanDerWaalsContact O-O 3.05Å; I198-L200 VanDerWaalsContact C-N 3.31Å; I198-L200 HydrophobicContact CD1-CB 4.44Å; I198-L200 HydrophobicContact CD1-CD1 3.7Å; I198-L200 HydrophobicContact CD1-CG 4.19Å; I198-L200 HydrophobicContact CG1-CB 4.05Å; I198-L200 HydrophobicContact CG1-CD1 3.99Å; I198-L200 HydrophobicContact CG1-CG 3.9Å; I198-L200 PolarHBondContact O-N 3.37Å; L200-Q204 HydrophobicContact CB-CB 4.39Å; L200-V205 HydrophobicContact CB-CG2 4.21Å
201T98.4Very high98.3Very high68 Ų6865.7 Ų65.742%0.41733%0.333SS..  trans-79.9149.6170.4610000110.7T203 Q204 V205T201-T203 PolarHBondContact O-N 3.25Å; T201-T203 VanDerWaalsContact O-N 3.12Å; T201-Q204 WeakPolarHBondContact O-CB 3.08Å; T201-Q204 PolarHBondContact O-N 3.48Å; T201-Q204 WeakPolarHBondContact OG1-CB 3.48Å; T201-Q204 VanDerWaalsContact OG1-CD 3.28Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.35Å; T201-Q204 PolarHBondContact OG1-N 3.01Å; T201-Q204 PolarHBondContact OG1-OE1 3.47Å; T201-V205 PolarHBondContact O-N 2.89Å; T201-V205 VanDerWaalsContact O-N 3.11Å
202P98.3Very high98.3Very high51 Ų5164.5 Ų64.533%0.33133%0.33SS..Hα-helixtrans-53.9-35.2173.5-26.134.2000112.1R191 E192 A195 V205 K206R191-P202 WeakPolarHBondContact CD-O 3.3Å; R191-P202 HydrophobicContact CG-CB 4.36Å; E192-P202 HydrophobicContact CG-CB 4.47Å; E192-P202 HydrophobicContact CG-CG 4.13Å; A195-P202 HydrophobicContact CB-CB 4.45Å; A195-P202 HydrophobicContact CB-CG 4Å; P202-V205 PolarHBondContact O-N 3.41Å; P202-K206 WeakPolarHBondContact O-CB 3.45Å; P202-K206 PolarHBondContact O-N 3.47Å
203T98.3Very high98.2Very high89 Ų8962.7 Ų62.755%0.54632%0.318SS..Hα-helixtrans-64.6-42.7175.9-57.10000112.7T201 V205 K206 I207T201-T203 PolarHBondContact O-N 3.25Å; T201-T203 VanDerWaalsContact O-N 3.12Å; T203-V205 VanDerWaalsContact C-N 3.34Å; T203-V205 PolarHBondContact O-N 3.43Å; T203-K206 WeakPolarHBondContact O-CB 3.47Å; T203-K206 PolarHBondContact O-N 3.38Å; T203-I207 HydrophobicContact CG2-CD1 3.97Å; T203-I207 WeakPolarHBondContact O-CG1 3.26Å; T203-I207 PolarHBondContact O-N 3.44Å
204Q98.1Very high98.2Very high69 Ų6963.5 Ų63.532%0.32232%0.318SS..Hα-helixtrans-61.9-42.4175.5-77.4165-45.300111.7F168 L200 T201 K206 I207 W208F168-Q204 HydrophobicContact CE1-CB 4.47Å; F168-Q204 HydrophobicContact CE1-CG 4.44Å; F168-Q204 HydrophobicContact CZ-CB 4.05Å; F168-Q204 HydrophobicContact CZ-CG 4.3Å; L200-Q204 HydrophobicContact CB-CB 4.39Å; T201-Q204 WeakPolarHBondContact O-CB 3.08Å; T201-Q204 PolarHBondContact O-N 3.48Å; T201-Q204 WeakPolarHBondContact OG1-CB 3.48Å; T201-Q204 VanDerWaalsContact OG1-CD 3.28Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.35Å; T201-Q204 PolarHBondContact OG1-N 3.01Å; T201-Q204 PolarHBondContact OG1-OE1 3.47Å; Q204-K206 VanDerWaalsContact C-N 3.34Å; Q204-K206 PolarHBondContact O-N 2.99Å; Q204-I207 PolarHBondContact O-N 2.88Å; Q204-W208 WeakPolarHBondContact O-CB 3.2Å; Q204-W208 PolarHBondContact O-N 3.01Å
205V98.4Very high98Very high1 Ų168.4 Ų68.41%0.00634%0.339CS..Hα-helixtrans-61.9-43.1174.5-179.40000110.5L176 L186 R191 L194 A195 I198 L200 T201 P202 T203 I207 W208 F209L176-V205 HydrophobicContact CD2-CG1 4.15Å; L176-V205 HydrophobicContact CD2-CG2 4.4Å; L186-V205 HydrophobicContact CD1-CG1 4.18Å; R191-V205 HydrophobicContact CG-CB 3.73Å; R191-V205 HydrophobicContact CG-CG1 3.63Å; L194-V205 HydrophobicContact CD2-CG1 3.89Å; A195-V205 HydrophobicContact CB-CG2 3.96Å; I198-V205 HydrophobicContact CD1-CG2 4.36Å; L200-V205 HydrophobicContact CB-CG2 4.21Å; T201-V205 PolarHBondContact O-N 2.89Å; T201-V205 VanDerWaalsContact O-N 3.11Å; P202-V205 PolarHBondContact O-N 3.41Å; T203-V205 VanDerWaalsContact C-N 3.34Å; T203-V205 PolarHBondContact O-N 3.43Å; V205-I207 PolarHBondContact O-N 2.85Å; V205-W208 PolarHBondContact O-N 3.18Å; V205-F209 HydrophobicContact CG1-CD2 3.79Å; V205-F209 HydrophobicContact CG1-CE2 3.85Å; V205-F209 VanDerWaalsContact O-CD2 3.29Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å; V205-F209 PolarHBondContact O-N 3.11Å
206K98.3Very high97.8Very high111 Ų11172.9 Ų72.948%0.48336%0.36SS..Hα-helixtrans-57.9-50.2176.7-178.3-175.7175.7-177.80111.4P202 T203 Q204 F209 Q210P202-K206 WeakPolarHBondContact O-CB 3.45Å; P202-K206 PolarHBondContact O-N 3.47Å; T203-K206 WeakPolarHBondContact O-CB 3.47Å; T203-K206 PolarHBondContact O-N 3.38Å; Q204-K206 VanDerWaalsContact C-N 3.34Å; Q204-K206 PolarHBondContact O-N 2.99Å; K206-F209 PolarHBondContact O-N 2.93Å; K206-Q210 WeakPolarHBondContact O-CB 3.39Å; K206-Q210 PolarHBondContact O-N 3.12Å
207I98.3Very high97.6Very high78 Ų7873.9 Ų73.940%0.435%0.354SS..Hα-helixtrans-62.9-44.5-179.8-68.9168.6000110.1T203 Q204 V205 F209 Q210 N211T203-I207 HydrophobicContact CG2-CD1 3.97Å; T203-I207 WeakPolarHBondContact O-CG1 3.26Å; T203-I207 PolarHBondContact O-N 3.44Å; Q204-I207 PolarHBondContact O-N 2.88Å; V205-I207 PolarHBondContact O-N 2.85Å; I207-F209 PolarHBondContact O-N 2.88Å; I207-Q210 PolarHBondContact O-N 3.48Å; I207-N211 WeakPolarHBondContact CG2-ND2 3.37Å; I207-N211 WeakPolarHBondContact O-CB 3.44Å; I207-N211 VanDerWaalsContact O-CG 3.28Å; I207-N211 PolarHBondContact O-N 3.19Å; I207-N211 PolarHBondContact O-ND2 3.27Å
208W98.2Very high97.4Very high33 Ų3376.3 Ų76.313%0.12536%0.357CS..Hα-helixtrans-61-46.8178.6-170.196.3000111.6F168 L176 E177 F180 Q204 V205 Q210 N211 H212F168-W208 AromaticContact CD2-CD1 3.75Å; F168-W208 HydrophobicContact CE2-CB 4.24Å; F168-W208 AromaticContact CE2-CD1 3.62Å; F168-W208 HydrophobicContact CE2-CG 4.25Å; L176-W208 HydrophobicContact CB-CD2 3.92Å; L176-W208 HydrophobicContact CB-CE3 3.87Å; L176-W208 HydrophobicContact CB-CH2 3.64Å; L176-W208 HydrophobicContact CB-CZ2 3.68Å; L176-W208 HydrophobicContact CB-CZ3 3.75Å; L176-W208 HydrophobicContact CD1-CD2 3.84Å; L176-W208 HydrophobicContact CD1-CE3 4.48Å; L176-W208 HydrophobicContact CD1-CG 3.82Å; L176-W208 HydrophobicContact CD2-CD2 4.22Å; L176-W208 HydrophobicContact CD2-CE3 4.1Å; L176-W208 HydrophobicContact CD2-CG 4.49Å; L176-W208 HydrophobicContact CG-CD2 4.22Å; L176-W208 HydrophobicContact CG-CE3 4.38Å; E177-W208 HydrophobicContact CB-CH2 4.49Å; E177-W208 HydrophobicContact CG-CH2 3.77Å; E177-W208 HydrophobicContact CG-CZ2 3.84Å; F180-W208 HydrophobicContact CB-CH2 4.36Å; F180-W208 HydrophobicContact CB-CZ3 4.03Å; F180-W208 HydrophobicContact CD2-CZ3 4.4Å; F180-W208 HydrophobicContact CG-CZ3 4.35Å; Q204-W208 WeakPolarHBondContact O-CB 3.2Å; Q204-W208 PolarHBondContact O-N 3.01Å; V205-W208 PolarHBondContact O-N 3.18Å; W208-Q210 VanDerWaalsContact C-N 3.29Å; W208-Q210 PolarHBondContact O-N 2.91Å; W208-N211 PolarHBondContact O-N 3.33Å; W208-H212 HydrophobicContact CE3-CB 4.1Å; W208-H212 HydrophobicContact CH2-CB 4.22Å; W208-H212 AromaticContact CH2-CE1 3.79Å; W208-H212 AromaticContact CH2-CG 3.81Å; W208-H212 AromaticContact CH2-ND1 3.13Å; W208-H212 WeakPolarHBondContact CH2-ND1 3.22Å; W208-H212 AromaticContact CZ2-ND1 3.5Å; W208-H212 WeakPolarHBondContact CZ2-ND1 3.24Å; W208-H212 HydrophobicContact CZ3-CB 3.89Å; W208-H212 AromaticContact CZ3-CG 3.88Å; W208-H212 AromaticContact CZ3-ND1 3.69Å; W208-H212 VanDerWaalsContact O-CB 3.3Å; W208-H212 WeakPolarHBondContact O-CB 3.49Å; W208-H212 PolarHBondContact O-N 3.47Å
209F98.6Very high97Very high9 Ų980.6 Ų80.64%0.03938%0.377CS..Hα-helixtrans-63.4-34.5176.8-90.6-108.1000112.6L176 R179 F180 Q183 L186 L194 V205 K206 I207 R213L176-F209 HydrophobicContact CD2-CD2 4.43Å; L176-F209 HydrophobicContact CD2-CE2 3.94Å; R179-F209 HydrophobicContact CB-CZ 4.46Å; R179-F209 HydrophobicContact CG-CZ 4.49Å; F180-F209 HydrophobicContact CB-CE1 4.25Å; F180-F209 HydrophobicContact CB-CZ 4.32Å; F180-F209 AromaticContact CD2-CD1 3.75Å; F180-F209 HydrophobicContact CD2-CD1 3.75Å; F180-F209 AromaticContact CD2-CE1 3.76Å; F180-F209 HydrophobicContact CD2-CE1 3.76Å; F180-F209 HydrophobicContact CD2-CZ 4.5Å; F180-F209 HydrophobicContact CE2-CD1 4.34Å; Q183-F209 WeakPolarHBondContact O-CE1 3.47Å; L186-F209 HydrophobicContact CD1-CD1 4.27Å; L186-F209 HydrophobicContact CD1-CD2 4.21Å; L186-F209 HydrophobicContact CD1-CE1 3.71Å; L186-F209 HydrophobicContact CD1-CE2 3.63Å; L186-F209 HydrophobicContact CD1-CZ 3.36Å; L186-F209 HydrophobicContact CD2-CE1 4.26Å; L186-F209 HydrophobicContact CD2-CZ 4.42Å; L186-F209 HydrophobicContact CG-CD1 4.06Å; L186-F209 HydrophobicContact CG-CE1 3.57Å; L186-F209 HydrophobicContact CG-CE2 4.41Å; L186-F209 HydrophobicContact CG-CZ 3.78Å; L194-F209 HydrophobicContact CD2-CE2 3.96Å; L194-F209 HydrophobicContact CD2-CZ 4.25Å; V205-F209 HydrophobicContact CG1-CD2 3.79Å; V205-F209 HydrophobicContact CG1-CE2 3.85Å; V205-F209 VanDerWaalsContact O-CD2 3.29Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å; V205-F209 PolarHBondContact O-N 3.11Å; K206-F209 PolarHBondContact O-N 2.93Å; I207-F209 PolarHBondContact O-N 2.88Å; F209-R213 WeakPolarHBondContact O-CG 3.44Å; F209-R213 PolarHBondContact O-N 3.38Å; F209-R213 VanDerWaalsContact O-N 3.15Å; F209-R213 PolarHBondContact O-NE 3.21Å
210Q98.3Very high96.4Very high83 Ų8375.8 Ų75.839%0.38837%0.366SS..Hα-helixtrans-66.9-50.1174.2-172.2167.53100111.2K206 I207 W208 H212 R213 Y214K206-Q210 WeakPolarHBondContact O-CB 3.39Å; K206-Q210 PolarHBondContact O-N 3.12Å; I207-Q210 PolarHBondContact O-N 3.48Å; W208-Q210 VanDerWaalsContact C-N 3.29Å; W208-Q210 PolarHBondContact O-N 2.91Å; Q210-H212 VanDerWaalsContact C-N 3.31Å; Q210-H212 PolarHBondContact O-N 3.37Å; Q210-R213 PolarHBondContact O-N 3.15Å; Q210-Y214 HydrophobicContact CG-CD2 4.12Å; Q210-Y214 HydrophobicContact CG-CE2 4.24Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.29Å; Q210-Y214 PolarHBondContact O-N 3.41Å
211N97.9Very high95.8Very high98 Ų9881.2 Ų81.252%0.52439%0.389SS..Hα-helixtrans-60.2-41.6178-71.8-16.7000111.7I207 W208 Y214 K215I207-N211 WeakPolarHBondContact CG2-ND2 3.37Å; I207-N211 WeakPolarHBondContact O-CB 3.44Å; I207-N211 VanDerWaalsContact O-CG 3.28Å; I207-N211 PolarHBondContact O-N 3.19Å; I207-N211 PolarHBondContact O-ND2 3.27Å; W208-N211 PolarHBondContact O-N 3.33Å; N211-Y214 PolarHBondContact O-N 3.47Å; N211-K215 WeakPolarHBondContact O-CB 3.33Å; N211-K215 PolarHBondContact O-N 2.82Å
212H97.8Very high95.1Very high33 Ų3381.1 Ų81.115%0.15339%0.385CS..Hα-helixtrans-64-44.6179.1-161.5106.3000111.7F180 W208 Q210 Y214 K215 M216F180-H212 AromaticContact CD1-CD2 3.3Å; F180-H212 WeakPolarHBondContact CD1-CD2 3.42Å; F180-H212 AromaticContact CD1-NE2 3.29Å; F180-H212 VanDerWaalsContact CD1-NE2 3.29Å; F180-H212 WeakPolarHBondContact CD1-NE2 2.91Å; F180-H212 HydrophobicContact CD2-CB 4.48Å; F180-H212 AromaticContact CE1-CD2 3Å; F180-H212 WeakPolarHBondContact CE1-CD2 3.45Å; F180-H212 AromaticContact CE1-NE2 3.29Å; F180-H212 VanDerWaalsContact CE1-NE2 3.29Å; F180-H212 WeakPolarHBondContact CE1-NE2 3.39Å; F180-H212 HydrophobicContact CE2-CB 4.29Å; F180-H212 AromaticContact CE2-CD2 3.79Å; F180-H212 AromaticContact CG-CD2 3.83Å; F180-H212 HydrophobicContact CZ-CB 4.49Å; F180-H212 AromaticContact CZ-CD2 3.27Å; F180-H212 WeakPolarHBondContact CZ-CD2 3.27Å; W208-H212 HydrophobicContact CE3-CB 4.1Å; W208-H212 HydrophobicContact CH2-CB 4.22Å; W208-H212 AromaticContact CH2-CE1 3.79Å; W208-H212 AromaticContact CH2-CG 3.81Å; W208-H212 AromaticContact CH2-ND1 3.13Å; W208-H212 WeakPolarHBondContact CH2-ND1 3.22Å; W208-H212 AromaticContact CZ2-ND1 3.5Å; W208-H212 WeakPolarHBondContact CZ2-ND1 3.24Å; W208-H212 HydrophobicContact CZ3-CB 3.89Å; W208-H212 AromaticContact CZ3-CG 3.88Å; W208-H212 AromaticContact CZ3-ND1 3.69Å; W208-H212 VanDerWaalsContact O-CB 3.3Å; W208-H212 WeakPolarHBondContact O-CB 3.49Å; W208-H212 PolarHBondContact O-N 3.47Å; Q210-H212 VanDerWaalsContact C-N 3.31Å; Q210-H212 PolarHBondContact O-N 3.37Å; H212-Y214 PolarHBondContact O-N 3.48Å; H212-K215 PolarHBondContact O-N 3.22Å; H212-M216 PolarHBondContact O-N 3.05Å
213R97.8Very high94.3Very high73 Ų7385.4 Ų85.428%0.27540%0.399SS..Hα-helixtrans-61.8-42.2173.6-73.4-178.6-71.2141.5-5.5112.3F180 K184 F209 Q210 M216 K217F180-R213 HydrophobicContact CE2-CG 3.75Å; F180-R213 HydrophobicContact CZ-CG 3.95Å; K184-R213 WeakPolarHBondContact O-CD 3.5Å; F209-R213 WeakPolarHBondContact O-CG 3.44Å; F209-R213 PolarHBondContact O-N 3.38Å; F209-R213 VanDerWaalsContact O-N 3.15Å; F209-R213 PolarHBondContact O-NE 3.21Å; Q210-R213 PolarHBondContact O-N 3.15Å; R213-M216 PolarHBondContact O-N 3.33Å; R213-K217 PolarHBondContact O-N 2.86Å
214Y97.6Very high93.5Very high138 Ų13883.9 Ų83.954%0.54140%0.396SS..Hα-helixtrans-61.8-44.2176.1-98.7-89.3000112.1Q210 N211 H212 M216 K217 R218Q210-Y214 HydrophobicContact CG-CD2 4.12Å; Q210-Y214 HydrophobicContact CG-CE2 4.24Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.29Å; Q210-Y214 PolarHBondContact O-N 3.41Å; N211-Y214 PolarHBondContact O-N 3.47Å; H212-Y214 PolarHBondContact O-N 3.48Å; Y214-M216 PolarHBondContact O-N 2.9Å; Y214-K217 PolarHBondContact O-N 3.25Å; Y214-R218 WeakPolarHBondContact O-CB 3.35Å; Y214-R218 PolarHBondContact O-N 3.34Å
215K95.6Very high92.6Very high108 Ų10882.9 Ų82.947%0.4740%0.399SS..Hα-helixtrans-58.7-47.4177.1-172.2178.372.2173.90111.3N211 H212 K217 R218 Q219N211-K215 WeakPolarHBondContact O-CB 3.33Å; N211-K215 PolarHBondContact O-N 2.82Å; H212-K215 PolarHBondContact O-N 3.22Å; K215-K217 PolarHBondContact O-N 3.39Å; K215-R218 PolarHBondContact O-N 2.97Å; K215-Q219 WeakPolarHBondContact O-CG 3.37Å; K215-Q219 PolarHBondContact O-N 3.29Å
216M93.2Very high91.6Very high95 Ų9589.6 Ų89.647%0.46843%0.43SS..Hα-helixtrans-61.8-44.3178.8-168176.574.200112F180 H212 R213 Y214 R218 Q219 A220F180-M216 HydrophobicContact CE1-SD 4.33Å; H212-M216 PolarHBondContact O-N 3.05Å; R213-M216 PolarHBondContact O-N 3.33Å; Y214-M216 PolarHBondContact O-N 2.9Å; M216-R218 VanDerWaalsContact C-N 3.32Å; M216-R218 PolarHBondContact O-N 2.98Å; M216-Q219 PolarHBondContact O-N 3Å; M216-A220 PolarHBondContact O-N 3.1Å
217K94.1Very high90.5Very high109 Ų10991 Ų9147%0.47444%0.438SS..Hα-helixtrans-62.9-38.5175-176.217867-179.40112.1R213 Y214 K215 K221R213-K217 PolarHBondContact O-N 2.86Å; Y214-K217 PolarHBondContact O-N 3.25Å; K215-K217 PolarHBondContact O-N 3.39Å; K217-K221 PolarHBondContact O-N 2.64Å
218R93.6Very high89Confident155 Ų15594.5 Ų94.559%0.58545%0.453SS*.Hα-helixtrans-67.6-45.5-179.9-173.865.9-167.9-157.32.4111.4Y214 K215 M216 A220 K221 D222Y214-R218 WeakPolarHBondContact O-CB 3.35Å; Y214-R218 PolarHBondContact O-N 3.34Å; K215-R218 PolarHBondContact O-N 2.97Å; M216-R218 VanDerWaalsContact C-N 3.32Å; M216-R218 PolarHBondContact O-N 2.98Å; R218-A220 VanDerWaalsContact C-N 3.27Å; R218-A220 PolarHBondContact O-N 3.15Å; R218-K221 PolarHBondContact O-N 3.15Å; R218-K221 VanDerWaalsContact O-N 3.09Å; R218-D222 WeakPolarHBondContact CG-OD2 3.38Å; R218-D222 IonicContact CZ-OD1 3.46Å; R218-D222 IonicContact NE-OD1 3.96Å; R218-D222 PolarHBondContact NE-OD1 2.77Å; R218-D222 IonicContact NE-OD2 3.57Å; R218-D222 PolarHBondContact NE-OD2 2.92Å; R218-D222 IonicContact NH2-OD1 3.05Å; R218-D222 PolarHBondContact NH2-OD1 3.3Å; R218-D222 PolarHBondContact O-N 3.4Å
219Q89.6Confident87.5Confident104 Ų10499 Ų9949%0.48648%0.479SS..Hα-helixtrans-60.4-35.2178.1-71.3177.210.100112.9K215 M216 K223K215-Q219 WeakPolarHBondContact O-CG 3.37Å; K215-Q219 PolarHBondContact O-N 3.29Å; M216-Q219 PolarHBondContact O-N 3Å; Q219-K223 WeakPolarHBondContact O-CB 3.48Å; Q219-K223 WeakPolarHBondContact O-CG 3.45Å; Q219-K223 PolarHBondContact O-N 2.97Å; Q219-K223 VanDerWaalsContact O-N 3.12Å
220A85.8Confident85.7Confident65 Ų65106.4 Ų106.454%0.53751%0.514SS..Hα-helixtrans-64.3-39.4175.300000112.6M216 R218 A224M216-A220 PolarHBondContact O-N 3.1Å; R218-A220 VanDerWaalsContact C-N 3.27Å; R218-A220 PolarHBondContact O-N 3.15Å; A220-A224 PolarHBondContact O-N 2.91Å
221K85.1Confident83.7Confident136 Ų136110.3 Ų110.359%0.59153%0.532SS*.Hα-helixtrans-72.4-42.2178.4-67.8-172.9175.9-161.10112.5K217 R218 K223 A224 A225K217-K221 PolarHBondContact O-N 2.64Å; R218-K221 PolarHBondContact O-N 3.15Å; R218-K221 VanDerWaalsContact O-N 3.09Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K221-K223 PolarHBondContact O-N 2.96Å; K221-A224 PolarHBondContact O-N 3.11Å; K221-A225 PolarHBondContact O-N 2.78Å
222D83.8Confident81.7Confident65 Ų65112.6 Ų112.635%0.34854%0.544SS..Hα-helixtrans-67.5-34.5-178.2-64.1-15.8000111R218 A225 Q226R218-D222 WeakPolarHBondContact CG-OD2 3.38Å; R218-D222 IonicContact CZ-OD1 3.46Å; R218-D222 IonicContact NE-OD1 3.96Å; R218-D222 PolarHBondContact NE-OD1 2.77Å; R218-D222 IonicContact NE-OD2 3.57Å; R218-D222 PolarHBondContact NE-OD2 2.92Å; R218-D222 IonicContact NH2-OD1 3.05Å; R218-D222 PolarHBondContact NH2-OD1 3.3Å; R218-D222 PolarHBondContact O-N 3.4Å; D222-A225 PolarHBondContact O-N 3.03Å; D222-Q226 PolarHBondContact O-N 3.16Å
223K82.6Confident79.6Confident141 Ų141116.5 Ų116.561%0.61358%0.575SS**Hα-helixtrans-63.4-41.6171.7-76.6-176.3175.5-158.10113.1Q219 K221 Q226 Q227Q219-K223 WeakPolarHBondContact O-CB 3.48Å; Q219-K223 WeakPolarHBondContact O-CG 3.45Å; Q219-K223 PolarHBondContact O-N 2.97Å; Q219-K223 VanDerWaalsContact O-N 3.12Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K221-K223 PolarHBondContact O-N 2.96Å; K223-Q226 PolarHBondContact O-N 3.23Å; K223-Q227 PolarHBondContact O-N 3Å
224A80.2Confident77Confident58 Ų58116.3 Ų116.348%0.47960%0.596SS.*Hα-helixtrans-65.3-39.5176.300000111.8A220 K221 Q227 Q228A220-A224 PolarHBondContact O-N 2.91Å; K221-A224 PolarHBondContact O-N 3.11Å; A224-Q227 PolarHBondContact O-N 3.15Å; A224-Q228 PolarHBondContact O-N 2.95Å
225A80.8Confident74.5Confident48 Ų48113.4 Ų113.440%0.39761%0.608SS.*Hα-helixtrans-66.3-40.6176.100000112.4K221 D222 Q227 Q228 L229K221-A225 PolarHBondContact O-N 2.78Å; D222-A225 PolarHBondContact O-N 3.03Å; A225-Q227 PolarHBondContact O-N 3.34Å; A225-Q228 PolarHBondContact O-N 3.09Å; A225-L229 WeakPolarHBondContact O-CD1 3.4Å; A225-L229 PolarHBondContact O-N 3.32Å
226Q76.5Confident72Confident141 Ų141112.4 Ų112.466%0.65963%0.628SS**Hα-helixtrans-63.8-37.6177.1-83.2177.1-1.300113D222 K223 Q228 L229 Q230D222-Q226 PolarHBondContact O-N 3.16Å; K223-Q226 PolarHBondContact O-N 3.23Å; Q226-Q228 VanDerWaalsContact C-N 3.26Å; Q226-Q228 PolarHBondContact O-N 3.15Å; Q226-L229 PolarHBondContact O-N 2.98Å; Q226-Q230 PolarHBondContact O-N 3.31Å
227Q74.4Confident69.5Low140 Ų140111.5 Ų111.565%0.65464%0.644SS**Hα-helixtrans-64.6-31.2175.8-75.2176.6-2.700112.6K223 A224 A225K223-Q227 PolarHBondContact O-N 3Å; A224-Q227 PolarHBondContact O-N 3.15Å; A225-Q227 PolarHBondContact O-N 3.34Å
228Q66.9Low66.8Low152 Ų152110.5 Ų110.571%0.7166%0.664SS**Hα-helixtrans-74.2-32.4179-163.9173.5-18.200112.7A224 A225 Q226A224-Q228 PolarHBondContact O-N 2.95Å; A225-Q228 PolarHBondContact O-N 3.09Å; Q226-Q228 VanDerWaalsContact C-N 3.26Å; Q226-Q228 PolarHBondContact O-N 3.15Å
229L66.6Low64.1Low127 Ų127107 Ų10767%0.66568%0.676SS**Hα-helixtrans-74.3-26.1175.4-84.684.8000113A225 Q226 Q231A225-L229 WeakPolarHBondContact O-CD1 3.4Å; A225-L229 PolarHBondContact O-N 3.32Å; Q226-L229 PolarHBondContact O-N 2.98Å; L229-Q231 VanDerWaalsContact C-N 3.29Å; L229-Q231 PolarHBondContact O-N 3.1Å
230Q60.6Low61.8Low166 Ų166106.1 Ų106.178%0.77670%0.695SS**Hα-helixtrans-72.8-21.1178.8-153.4106.173.800112.8Q226Q226-Q230 PolarHBondContact O-N 3.31Å
231Q57.4Low59.5Low165 Ų165106.9 Ų106.977%0.77171%0.709SS**Hα-helixtrans-84-21.5178.3-74.5178.917.600114L229L229-Q231 VanDerWaalsContact C-N 3.29Å; L229-Q231 PolarHBondContact O-N 3.1Å
232D54.9Low57.4Low146 Ų146105.4 Ų105.478%0.78172%0.722SS**Hα-helixtrans-87.5-15.1-178-163.465.6000113.4
233S53.5Low55.2Low114 Ų114105.7 Ų105.780%0.79774%0.741SS**THydrogen-bonded Turntrans-100.98.3-179.9-60.70000114.6
234G45.1Very low53Low70 Ų70105.4 Ų105.472%0.72276%0.755SS**SBendtrans-118.514.7-176.700000115.9
235G43.3Very low52Low76 Ų76108.1 Ų108.178%0.78477%0.768SS**  trans-121.543.1-170.300000115.1
236G44.5Very low50.2Low87 Ų87113.7 Ų113.790%0.89779%0.786SS**  trans-105.998.6169.100000110.8
237G39.4Very low48.8Very low77 Ų77114.7 Ų114.779%0.79479%0.79SS**  trans155.282.5165.700000117.2
238G38.8Very low47.5Very low87 Ų87116 Ų11690%0.89780%0.797SS**  trans84.6131.9133.800000119.9
239G37Very low46.9Very low81 Ų81118.3 Ų118.384%0.83581%0.807SS**  trans126.896.2151.100000114.4
240G40.3Very low46.1Very low87 Ų87116.6 Ų116.690%0.89781%0.812SS**  trans-69.8170.717100000113.5
241G37.2Very low45.4Very low80 Ų80117.2 Ų117.283%0.82581%0.814SS**  trans154104.516800000114.1
242A41.9Very low44.9Very low105 Ų105118.4 Ų118.487%0.86882%0.82SS**  trans-10.2125.4162.900000119.8
243G37.6Very low44.3Very low72 Ų72119.8 Ų119.874%0.74282%0.822SS**  82.3114.2113.100000119.5
244C37Very low43.5Very low134 Ų134119.1 Ų119.191%0.90582%0.817SS**  -176.5156.6122.337.20000111.3
245P57.7Low43.9Very low116 Ų116121.7 Ų121.775%0.75382%0.821SS**  trans-102.9172.9-159.538.9-31.9000115
246Q42.7Very low43.8Very low165 Ų165129.4 Ų129.477%0.77183%0.827SS**  trans91126.2148.1-153.1110.7-10.800119.8
247Q47.8Very low44.1Very low162 Ų162137 Ų13776%0.75783%0.828SS**  trans79.7100146.6-114.9168.20.700119.7
248Q47.6Very low44.4Very low168 Ų168139.4 Ų139.479%0.78583%0.827SS**  178.2122100.4-15780.713.600108.3A250Q248-A250 PolarHBondContact O-N 2.82Å
249Q53.7Low44.8Very low200 Ų200139.7 Ų139.794%0.93582%0.821SS**  trans-69.3111174-78.5171.4-13.600110.4
250A49.5Very low44.9Very low91 Ų91141.4 Ų141.475%0.75282%0.815SS**  trans-126.6105151.800000107.4Q248 Q252Q248-A250 PolarHBondContact O-N 2.82Å; A250-Q252 PolarHBondContact O-N 3.5Å
251Q47.1Very low45.6Very low178 Ų178142.2 Ų142.283%0.83280%0.804SS**  trans-60.298.1177.7-80.5172.7-13.700110.5
252Q45.5Very low46.3Very low190 Ų190144.4 Ų144.489%0.88880%0.801SS**  trans-85.2103.9153-74.9-173.824.200107.7A250 S254A250-Q252 PolarHBondContact O-N 3.5Å; Q252-S254 PolarHBondContact O-N 3.26Å
253Q43.5Very low46.9Very low175 Ų175147 Ų14782%0.81880%0.8SS**  trans-70.796.5172.1-67.9-166.7-8.100109.3
254S36.3Very low47.8Very low101 Ų101149.8 Ų149.871%0.70680%0.802SS**  trans-69.2133.6161.1-168.10000108.9Q252 R256Q252-S254 PolarHBondContact O-N 3.26Å; S254-R256 PolarHBondContact O-N 3.09Å
255P53Low48.3Very low123 Ų123152 Ų15280%0.79980%0.796SS**  trans-67.4104.2-175-15.629000110.8R257P255-R257 PolarHBondContact O-N 3.15Å
256R42.9Very low47.6Very low239 Ų239153.8 Ų153.890%0.90280%0.8SS**  trans-65.6123.4172.3-74.5-175.7175.8-110.10.3109.1S254 V258S254-R256 PolarHBondContact O-N 3.09Å; R256-V258 PolarHBondContact O-N 3.37Å
257R49.2Very low47.4Very low246 Ų246149.5 Ų149.593%0.92880%0.799SS**  trans-55.4124.2170.3-75.8-167.5171.4-117.53109.7P255 A259P255-R257 PolarHBondContact O-N 3.15Å; R257-A259 PolarHBondContact O-N 3.44Å
258V46.8Very low47.1Very low128 Ų128151.3 Ų151.378%0.77681%0.805SS**  trans-73.4113.1169.8177.90000107.7R256 V260R256-V258 PolarHBondContact O-N 3.37Å; V258-V260 HydrophobicContact CG1-CG2 4.46Å
259A46.3Very low47Very low92 Ų92149.2 Ų149.276%0.7681%0.806SS**  trans-77.9116.8163.800000107.7R257 P261R257-A259 PolarHBondContact O-N 3.44Å; A259-P261 VanDerWaalsContact O-CD 3.3Å; A259-P261 WeakPolarHBondContact O-CD 3.3Å
260V39.9Very low46Very low118 Ų118144.9 Ų144.972%0.71580%0.796SS**  trans-83.2113.5172.9177.60000107.5V258 V262V258-V260 HydrophobicContact CG1-CG2 4.46Å; V260-V262 PolarHBondContact O-N 3.46Å
261P53.5Low45.4Very low104 Ų104149.4 Ų149.468%0.67580%0.802SS**  trans-70.6118.6170.526.1-29.3000109.3A259 L263A259-P261 VanDerWaalsContact O-CD 3.3Å; A259-P261 WeakPolarHBondContact O-CD 3.3Å; P261-L263 PolarHBondContact O-N 2.81Å; P261-L263 VanDerWaalsContact O-N 3.15Å
262V52.9Low44.7Very low126 Ų126145.5 Ų145.576%0.76480%0.8SS**  trans-69.7101.6167.6176.30000107.1V260 V264V260-V262 PolarHBondContact O-N 3.46Å; V262-V264 HydrophobicContact CG1-CG2 4.19Å; V262-V264 PolarHBondContact O-N 2.93Å; V262-V264 VanDerWaalsContact O-N 3.09Å
263L55.4Low44.1Very low160 Ų160140.3 Ų140.384%0.83880%0.798SS**  trans-71.398.5168.2-107.677.7000108.5P261P261-L263 PolarHBondContact O-N 2.81Å; P261-L263 VanDerWaalsContact O-N 3.15Å
264V56.3Low44Very low130 Ų130136.6 Ų136.679%0.78880%0.797SS**  trans-74.4121160175.50000107.3V262V262-V264 HydrophobicContact CG1-CG2 4.19Å; V262-V264 PolarHBondContact O-N 2.93Å; V262-V264 VanDerWaalsContact O-N 3.09Å
265K46.4Very low44.4Very low179 Ų179137.9 Ų137.978%0.77880%0.803SS**  trans-78.8121.2173.8176.7175.8176.3-178.30108.5
266D43.9Very low43.6Very low155 Ų155136.4 Ų136.483%0.82980%0.801SS**  173.5142.9129-91.3-47.8000111.2
267G37.1Very low43.7Very low74 Ų74131 Ų13176%0.76380%0.797SS**  trans123.488.5165.400000116.5
268K42.9Very low43Very low201 Ų201122.8 Ų122.887%0.87479%0.789SS**  trans-56.8151.7158.4-108.1163.8170.2178.50110.6
269P45.8Very low42.3Very low124 Ų124121.8 Ų121.881%0.80579%0.794SS**  -141.6164.591.234.3-16.5000116.2
270C32.5Very low41.8Very low109 Ų109122.1 Ų122.174%0.73680%0.797SS**  trans-55.1152.3-176-40.40000115
271Q37.2Very low41.7Very low185 Ų185122 Ų12286%0.86480%0.801SS**  -179133.6100.6-92.9-155.859.900114
272A31.5Very low41.2Very low96 Ų96125.2 Ų125.279%0.79381%0.811SS**  trans61.7125135.900000121.8
273G33.5Very low40.7Very low82 Ų82128.4 Ų128.485%0.84582%0.818SS**  trans125.877142.600000116.2
274A41Very low39.9Very low96 Ų96123.8 Ų123.879%0.79381%0.809SS**  trans-88.9147.5148.400000107.5
275P43.4Very low39.4Very low129 Ų129127.2 Ų127.284%0.83882%0.816SS**  -139.8150.579.633.5-16000114.5
276A37.5Very low39.3Very low91 Ų91123.6 Ų123.675%0.75282%0.82SS**  trans-73.3156.4159.100000109
277P44.7Very low39.8Very low127 Ų127125.4 Ų125.483%0.82582%0.823SS**  -148.7159.573.535.3-15000116.2
278G33.5Very low40.5Very low73 Ų73131.1 Ų131.175%0.75383%0.83SS**  trans67.3114.8132.600000121.1
279A33.4Very low40.9Very low107 Ų107131 Ų13188%0.88483%0.833SS**  trans72.3110.614800000119.4
280A34.9Very low41.1Very low99 Ų99130.1 Ų130.182%0.81884%0.836SS**  167.7144.3119.800000112.4
281S37.5Very low42.2Very low114 Ų114134.2 Ų134.280%0.79784%0.844SS**  trans83.292.8153.2-148.70000119.8
282L43.7Very low43.1Very low172 Ų172135 Ų13590%0.90185%0.848SS**  trans-79.1106147.7-87141.8000108.7
283Q41.8Very low44.2Very low193 Ų193139.7 Ų139.790%0.90285%0.853SS**  trans-168126.3152.1-136.2143.5-37.400113
284G38.4Very low45.1Very low63 Ų63140.4 Ų140.465%0.64985%0.851SS**  trans125.4132.5157.600000115.6
285H45.7Very low45.7Very low202 Ų202145.5 Ų145.594%0.93586%0.858SS**  trans106.144.9168.3-53.288.7000118.4
286A46.1Very low46Very low104 Ų104144.4 Ų144.486%0.8686%0.86SS**  trans-136.161.2157.900000111.5
287Q53Low46.5Very low193 Ų193144.5 Ų144.590%0.90286%0.861SS**  trans-155.965.6169.4-157.9167.5-21.900112.1
288Q53.2Low46.8Very low193 Ų193147.9 Ų147.990%0.90287%0.866SS**SBendtrans-15461.8166.9-148.8170.73300111.6
289Q50.7Low47.5Very low200 Ų200149.2 Ų149.294%0.93587%0.87SS**SBendtrans-150.29.2168.7-126.4172.710.500115.4
290A50.1Low47.9Very low105 Ų105149.1 Ų149.187%0.86887%0.869SS**SBendtrans-112.622.7-175.700000114.7
291Q56.3Low48Very low195 Ų195149 Ų14991%0.91187%0.869SS**SBendtrans-12925.4-170.7-129.1172.7-4.100116
292Q55.3Low47.8Very low201 Ų201148.3 Ų148.394%0.93987%0.87SS**SBendtrans-123.922.9177.5-155.8143.252.300115.1
293Q53.4Low47.3Very low195 Ų195145.3 Ų145.391%0.91187%0.87SS**SBendtrans-13026.9179.4-152.4161.520.500115.1
294A54.2Low47Very low96 Ų96143.8 Ų143.879%0.79387%0.866SS**SBendtrans-127.720.7-177.800000115.7
295Q52.8Low47Very low203 Ų203145.6 Ų145.695%0.94987%0.868SS**SBendtrans-118.916.2-179.5-80.5-177.8-21.900115.6
296A48.9Very low46.5Very low107 Ų107143.1 Ų143.188%0.88487%0.867SS**SBendtrans-113.510.5179.700000115.4
297A49.3Very low45.9Very low93 Ų93141.5 Ų141.577%0.76986%0.861SS**SBendtrans-128.628.8-171.900000115.1
298Q50.9Low44.9Very low197 Ų197138.6 Ų138.692%0.92186%0.862SS**  trans-139.365.4175.2-67.5-178.4-0.500111.1
299A47.6Very low43.9Very low102 Ų102133.3 Ų133.384%0.84386%0.859SS**SBendtrans-156.860.6168.200000111
300A42.9Very low42.9Very low104 Ų104127.8 Ų127.886%0.8686%0.856SS**SBendtrans-175.263.7159.700000110.7
301A36.3Very low42.3Very low98 Ų98128.3 Ų128.381%0.8186%0.86SS**  trans-155.8127.3162.200000110.8
302A33.8Very low41.1Very low99 Ų99122.2 Ų122.282%0.81885%0.849SS**  trans79.899.9163.800000118.6
303A33.6Very low40.1Very low109 Ų109121.5 Ų121.590%0.90185%0.851SS**  trans-120.499.6138.600000108.9
304I34.5Very low39.1Very low160 Ų160115.9 Ų115.982%0.82185%0.845SS**  trans-12.9140161.5-35.7-178.9000119.1
305S39Very low38.1Very low101 Ų101114.6 Ų114.671%0.70684%0.835SS**  trans-58.8149.116944.80000118.1
306V34.9Very low37.6Very low151 Ų151113.2 Ų113.292%0.91583%0.828SS**  trans-151.2135.4137.7-157.90000109.1
307G33.5Very low38.1Very low70 Ų70114 Ų11472%0.72282%0.824SS**  trans-103.6166.117900000114.2
308S31.9Very low37.4Very low131 Ų131112.7 Ų112.792%0.91682%0.82SS**  trans-178.9145.2137.8-133.50000110
309G32.6Very low36.8Very low83 Ų83113 Ų11386%0.85682%0.821SS**  trans-85.7-168.7-170.800000116.3
310G29.7Very low36.3Very low84 Ų84116.6 Ų116.687%0.86682%0.82SS**  trans140.7120.6164.700000114.6
311A36.8Very low36.9Very low116 Ų116117.1 Ų117.196%0.95982%0.815SS**  trans-78.4164.9178.900000114.2
312G32.2Very low36.9Very low66 Ų66115.9 Ų115.968%0.6881%0.812SS**  trans157.696.8165.600000112.2
313L34Very low37Very low186 Ų186117 Ų11797%0.97481%0.813SS**  85.8118.287.7-75.2176.5000115.7
314G32Very low37.2Very low77 Ų77117 Ų11779%0.79481%0.813SS**  trans98.2150.114700000117.3
315A33.7Very low37.2Very low70 Ų70112.5 Ų112.558%0.57981%0.807SS**  cis-173.5142.3-22.300000107.1
316H41.9Very low37Very low174 Ų174117.3 Ų117.381%0.80682%0.818SS**  trans51.1163.3148.553.7-135.4000124.1
317P60Low36.9Very low123 Ų123115.6 Ų115.680%0.79981%0.813SS**  cis-139.2166.3-29.731.5-11.5000116.6
318G34.5Very low38.1Very low65 Ų65118 Ų11867%0.6782%0.816SS**  105.9105.9121.900000120.8
319H36.7Very low38.2Very low205 Ų205118.4 Ų118.495%0.94981%0.807SS**  179.7141.9115-98.573.5000112.4
320Q38.9Very low38.4Very low177 Ų177122.6 Ų122.683%0.82781%0.81SS**  trans-111.7-171-179.3-124-168.22.800108.8
321P55.6Low38.8Very low115 Ų115121.4 Ų121.475%0.74779%0.791SS**  cis-141.7-179.2-16.331.4-8.4000116.6
322G34.6Very low38.8Very low72 Ų72123.6 Ų123.674%0.74278%0.781SS**  trans117.4133.7147.200000116
323S37.2Very low39.3Very low121 Ų121129.1 Ų129.185%0.84679%0.789SS**  cis-167.8148.12.8-910000110.7
324A36.3Very low39.3Very low109 Ų109124.7 Ų124.790%0.90178%0.779SS**  trans48.5138.9149.300000121.2
325G34.3Very low39.5Very low67 Ų67125.9 Ų125.969%0.69178%0.781SS**  cis165163.83.200000110.5
326Q35.2Very low39.6Very low201 Ų201128 Ų12894%0.93979%0.792SS**  trans89.6105.4161.2-69.5161.482.500120.9
327S34.3Very low40.3Very low115 Ų115126.1 Ų126.180%0.80480%0.795SS**  trans-79.4-169.1151.5-34.10000110.3
328P57.4Low39.3Very low121 Ų121125 Ų12579%0.78680%0.796SS**  cis-136.3153.21736-11.7000116.3
329D33.6Very low39.3Very low139 Ų139126.4 Ų126.474%0.74380%0.801SS**  86.6117.999.6-163.4-85.7000116.3
330L37.5Very low39.3Very low172 Ų172125.1 Ų125.190%0.90180%0.801SS**  trans-159.7115.6134.1-147.573.2000111.2
331A37.3Very low39.3Very low58 Ų58125.8 Ų125.848%0.47980%0.804SS.*  trans-92.6149.9171.700000112.1
332H37.8Very low38.4Very low162 Ų162123.6 Ų123.675%0.7580%0.802SS**  154.6152.1118-85.393.6000115.3
333H41.8Very low38.6Very low183 Ų183129.5 Ų129.585%0.84781%0.811SS**  trans96.3135.9162.3-51.8-70.3000117.4
334A35.3Very low38.6Very low92 Ų92129.7 Ų129.776%0.7681%0.806SS**  cis-179.4146.7-46.600000106.8
335A35.6Very low38.5Very low102 Ų102129.6 Ų129.684%0.84380%0.799SS**  trans68.9119149.100000122.4
336S36.3Very low38.6Very low114 Ų114131.2 Ų131.280%0.79780%0.8SS**  trans-68.7173.6149.8-46.50000111.7
337P55.2Low38.7Very low136 Ų136130.3 Ų130.388%0.88380%0.8SS**  -149.9-175.783.136.8-15.5000115.8
338A39.3Very low39Very low98 Ų98128.5 Ų128.581%0.8179%0.788SS**  trans-104.6174.5-165.200000115.4
339A34.5Very low38.1Very low95 Ų95130.9 Ų130.979%0.78579%0.788SS**  trans91.5126.8150.400000119.7
340L37Very low38.4Very low178 Ų178132.2 Ų132.293%0.93279%0.794SS**  -166.1126.9124.2-105160.3000112.1
341Q40.3Very low38.3Very low192 Ų192130.7 Ų130.790%0.89779%0.787SS**  trans-67.2151165.5-77.6163.1-54.400111.1
342G35.9Very low38.1Very low69 Ų69132.4 Ų132.471%0.71180%0.795SS**  trans-165.677.4173.500000114.1
343Q39.6Very low38.1Very low196 Ų196130.4 Ų130.492%0.91680%0.8SS**  trans56.7157.7141.2-63.1-156.7-57.100123.2
344V35.7Very low37.9Very low125 Ų125125.1 Ų125.176%0.75880%0.795SS**  trans-100.8167.4-160-69.30000112.8
345S35.6Very low38.4Very low107 Ų107127 Ų12775%0.74880%0.803SS**  trans94.4108.3143.4-59.10000120
346S35.6Very low38.5Very low101 Ų101128.6 Ų128.671%0.70680%0.797SS**  73.8110.2122-148.40000119.4
347L37.8Very low38.5Very low182 Ų182133.5 Ų133.595%0.95380%0.799SS**  trans-153.2133.9141.4-114.8139.1000110.7
348S40.1Very low37.5Very low76 Ų76130.1 Ų130.153%0.53179%0.79SS.*  trans-114.1153.6-164.6-38.50000110.7
349H38.4Very low37.4Very low171 Ų171131.6 Ų131.679%0.79279%0.789SS**  trans70119.9157.5-53.7-81.8000119.7
350L40.3Very low37.8Very low167 Ų167135.5 Ų135.587%0.87479%0.793SS**  172132.695.2-91172.8000113.7
351N34.8Very low37.8Very low140 Ų140131.5 Ų131.575%0.74978%0.78SS**  trans92.9112.2132.8-146.827.2000123.3
352S33.8Very low37.6Very low94 Ų94128.1 Ų128.166%0.65778%0.776SS**  trans27.9133.9134.4-53.50000122
353S37.8Very low37.6Very low120 Ų120130.3 Ų130.384%0.83978%0.78SS**  -171.2132.192.7-70.40000110.8
354G38Very low37.6Very low73 Ų73126.4 Ų126.475%0.75377%0.77SS**  trans-83159.717600000113.2
355S44.5Very low38Very low132 Ų132127.7 Ų127.792%0.92377%0.772SS**  trans-155.6138.1147.4-81.10000109.4
356D38.1Very low38.3Very low135 Ų135131.1 Ų131.172%0.72278%0.781SS**  trans-99.6173.5-162.1-155.2-63.8000110.6
357Y35.3Very low38.7Very low216 Ų216137.3 Ų137.385%0.84779%0.79SS**  trans78.3116.3167.5-73-81000121.4
358G34.5Very low38.7Very low66 Ų66131.5 Ų131.568%0.6878%0.775SS**  trans175.932.8162.200000117.7M360G358-M360 PolarHBondContact O-N 3.03Å
359T38.6Very low38.8Very low129 Ų129140 Ų14079%0.79180%0.795SS**  trans-60.4100.9171.5-54.30000110.9
360M41.2Very low39.1Very low177 Ų177137.2 Ų137.287%0.87279%0.79SS**  trans-104.4102.3165.3-73.5-67.3119.500110.2G358G358-M360 PolarHBondContact O-N 3.03Å
361S37.8Very low39.1Very low94 Ų94144.3 Ų144.366%0.65781%0.805SS**  trans-50.3126.3178.2-173.90000113.5S363S361-S363 PolarHBondContact O-N 3.27Å
362C36.8Very low39.3Very low121 Ų121144.5 Ų144.582%0.81881%0.808SS**  trans-58.593.4159.8-74.20000109.9T364C362-T364 PolarHBondContact O-N 3.02Å
363S35.9Very low39.6Very low114 Ų114147.2 Ų147.280%0.79782%0.816SS**  trans-77.394.3172.9-66.80000110.2S361S361-S363 PolarHBondContact O-N 3.27Å
364T38.9Very low39.7Very low115 Ų115148.7 Ų148.771%0.70682%0.815SS**  trans-71.9145.4159.1-44.90000108.2C362C362-T364 PolarHBondContact O-N 3.02Å
365L44.8Very low39.8Very low151 Ų151153.1 Ų153.179%0.79182%0.819SS**  trans79.4101.4168.8-53.4167.4000117.1
366L41.2Very low39.5Very low180 Ų180154.4 Ų154.494%0.94281%0.812SS**  -141.398.9123.3-93.5176.6000109.5G368L366-G368 PolarHBondContact O-N 3.43Å
367Y43.9Very low39.6Very low231 Ų231155.7 Ų155.791%0.90682%0.818SS**  trans-58.6118.7161.5-163.7-96.7000108.3
368G37.3Very low39.9Very low60 Ų60151.4 Ų151.462%0.61982%0.816SS**  trans152.485.9173.300000113.8L366L366-G368 PolarHBondContact O-N 3.43Å
369R43.4Very low40.3Very low253 Ų253158 Ų15896%0.95583%0.826SS**  trans-156105.5142.5-106139.3-170.9-157.61.4109.8
370T44.3Very low40.4Very low113 Ų113160.4 Ų160.469%0.69383%0.829SS**  trans-59.9153.3157.947.90000109.4
371W40Very low40.4Very low316 Ų316158.9 Ų158.9100%1.19783%0.825SS**  trans910175.2-48.698.1000116.7

Retrieved 371 of 371 residues in 165.3 ms (Link to these results)