KLF12_HUMAN Loading...

Krueppel-like factor 12

Confers strong transcriptional repression to the AP-2-alpha gene. Binds to a regulatory element (A32) in the AP-2-alpha gene promoter.

AlphaFold DB , UniProt , Accession Q9Y4X4, Species HUMAN (Homo sapiens, Human), Gene KLF12, Length 402 aa.

Structure Viewer
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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
1M39.5Very low42.4Very low233 Ų233180.1 Ų180.1100%1.14885%0.852SS**  085.80-58168.1-173.800105.3
2N34.8Very low42Very low158 Ų158177 Ų17785%0.84584%0.844SS**  48.1117.666.9-59.99.8000109.4
3I48.8Very low42.5Very low167 Ų167175.3 Ų175.386%0.85684%0.841SS**  cis-126.513531-62.8151.3000112.1
4H36.9Very low42.3Very low186 Ų186172.1 Ų172.186%0.86183%0.83SS**  trans-137.6101.1169.1-178.596.4000109.7
5M47.3Very low42.1Very low155 Ų155169.3 Ų169.376%0.76483%0.828SS**  trans-158.1147.4177-95.4-144.8178.300114.4
6K44.4Very low41.7Very low181 Ų181170.4 Ų170.479%0.78783%0.828SS**  trans72.170.8158-62.7162.4-173.8177.60118.2
7R40.1Very low41.9Very low251 Ų251171 Ų17195%0.94783%0.829SS**  -68.3125.7127.3-80.1179.5172.6155.2-3.1107.9
8K44Very low41.6Very low192 Ų192168.3 Ų168.384%0.83582%0.819SS**  trans-166.4109.3157.3-113.3168.9-173.7-177.80112.3
9T41.8Very low41.7Very low112 Ų112171.2 Ų171.269%0.68782%0.82SS**  trans45.4107.4143.2-41.70000119.7K11T9-K11 HydrophobicContact CG2-CG 4.2Å
10I43.1Very low41.3Very low172 Ų172170.9 Ų170.988%0.88282%0.82SS**  trans-119.4130.6138.5-62.3179.9000106.8
11K45.9Very low41.4Very low174 Ų174170.9 Ų170.976%0.75782%0.824SS**  trans-123.9156.8175-82.1-172.8175.5-172.50108.6T9T9-K11 HydrophobicContact CG2-CG 4.2Å
12N37.4Very low41.5Very low143 Ų143167.5 Ų167.577%0.76581%0.807SS**  trans63.4124.2177.2-61.6-1000115.2
13I48Very low41.9Very low155 Ų155168 Ų16880%0.79581%0.809SS**  -149.2120104.5-93149.1000107.3
14N39.6Very low41.6Very low130 Ų130167.5 Ų167.570%0.69581%0.807SS**  trans33.5109.3157.3-47.3-7.9000118
15T39.5Very low41.6Very low130 Ų130162 Ų16280%0.79880%0.801SS**  42.499.878.268.30000115
16F36.6Very low41.2Very low188 Ų188163.6 Ų163.683%0.82581%0.809SS**  trans-140.494.8148.4-163.1-100.5000108.9N18F16-N18 WeakPolarHBondContact CE1-ND2 3.33Å
17E43.9Very low41.2Very low180 Ų180161 Ų16184%0.84181%0.811SS**  trans-74.8133.9172.4-62.4-176.6118.800110
18N37.4Very low41Very low123 Ų123153.7 Ų153.766%0.65880%0.804SS**  trans-166.589.3151.5-93.1-54.7000106.8F16F16-N18 WeakPolarHBondContact CE1-ND2 3.33Å
19R42.5Very low40.8Very low223 Ų223151 Ų15184%0.84280%0.804SS**  57.772.778.5-162176.9-169.5157.92.8109.9
20M34.6Very low40.5Very low164 Ų164157.2 Ų157.281%0.80881%0.814SS**  46.893.190.8-167.8162.292.500113
21L44.3Very low40.3Very low172 Ų172155.1 Ų155.190%0.90181%0.809SS**  trans-128.1137.7152.5-72.7176.7000107.1
22M41.5Very low39.9Very low161 Ų161155 Ų15579%0.79381%0.809SS**  trans-102.2137.4178.7-56-134.7-59.200109.4
23L42.2Very low39.8Very low169 Ų169154.1 Ų154.189%0.88581%0.809SS**  trans-138.9145.1161.2-74.7178.7000108.5
24D41.8Very low39.5Very low156 Ų156154 Ų15483%0.83481%0.805SS**  trans-82.7161.8-149.6-54.6-86.5000116.3
25G37.8Very low39.3Very low71 Ų71154.6 Ų154.673%0.73281%0.808SS**  trans105.473.714500000118.4
26M39.8Very low39.4Very low189 Ų189156.8 Ų156.893%0.93181%0.813SS**  -177.6147.1118-98.9179.7-176.300112.2
27P43.9Very low39.3Very low126 Ų126156.4 Ų156.482%0.81881%0.814SS**PPolyproline II helixtrans-82.8136.9-175.532.5-34.4000113.2
28A35.5Very low39.1Very low98 Ų98153 Ų15381%0.8181%0.81SS**PPolyproline II helixtrans-80.9131.2175.900000112.5R30A28-R30 PolarHBondContact O-N 2.7Å
29V39.2Very low39.3Very low136 Ų136154.9 Ų154.982%0.82482%0.815SS**PPolyproline II helixtrans-72.6116.8167.61770000108.9V31V29-V31 PolarHBondContact O-N 2.85Å
30R35.6Very low38.9Very low241 Ų241152.7 Ų152.791%0.90982%0.815SS**PPolyproline II helixtrans-70.6125.4175.1-76.5-178167.4117.2-5.8110.8A28A28-R30 PolarHBondContact O-N 2.7Å
31V39.5Very low38.8Very low128 Ų128148.6 Ų148.678%0.77681%0.814SS**  trans-113.8123.7154.6-175.60000106.8V29 T33V29-V31 PolarHBondContact O-N 2.85Å; V31-T33 PolarHBondContact O-N 2.78Å
32K37.2Very low38.4Very low171 Ų171146.1 Ų146.174%0.74381%0.811SS**  trans-74.7118.3174.3-95.3-172.4159.4-154.80109.1E34K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.49Å
33T35.9Very low38.1Very low125 Ų125145 Ų14577%0.76782%0.816SS**  trans-92.3113.9154.9510000107.7V31V31-T33 PolarHBondContact O-N 2.78Å
34E41.8Very low37.7Very low152 Ų152144.2 Ų144.271%0.7181%0.812SS**  trans-90.3128.4168-56.1-147.4150.900108.7K32K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.49Å
35L35.7Very low37.3Very low144 Ų144142.9 Ų142.975%0.75481%0.81SS**  trans-88.2131.7-177.5-73166.4000109.8
36L41.2Very low37Very low176 Ų176147.6 Ų147.692%0.92181%0.813SS**  trans-129106159.4-87.6167000107.8
37E34.6Very low36.5Very low180 Ų180146.2 Ų146.284%0.84181%0.809SS**  trans-90.9123.6176.3-63.8176.497.400109.6
38S39.1Very low36.1Very low109 Ų109150.3 Ų150.376%0.76281%0.809SS**  trans-151.184.516667.30000112.5
39E41.2Very low36.6Very low161 Ų161150.7 Ų150.775%0.75280%0.804SS**  trans56.6115.5138.4-55.9-154.280.300122.5
40Q34.9Very low36.1Very low178 Ų178151.1 Ų151.183%0.83280%0.801SS**  61.695128.7-55-166.964.900119.8
41G33.2Very low36.3Very low78 Ų78147.6 Ų147.680%0.80480%0.797SS**  trans-157.4128.9159.300000112.1
42S35.3Very low36Very low119 Ų119150 Ų15083%0.83280%0.8SS**  trans-68.5141.6-175.6-62.40000113.1N44S42-N44 PolarHBondContact O-N 3.5Å
43P35.4Very low35.8Very low137 Ų137146.3 Ų146.389%0.8980%0.802SS**  trans-73.7110.3-178.829.5-34.3000111.8
44N33.4Very low35.8Very low153 Ų153146.5 Ų146.582%0.81880%0.802SS**  trans-103.6159.5167.8-157.4-11.7000110.8S42 H46S42-N44 PolarHBondContact O-N 3.5Å; N44-H46 PolarHBondContact O-N 3.36Å
45V32Very low35.3Very low128 Ų128144.7 Ų144.778%0.77680%0.804SS**SBendtrans-87.969.3-156.1-167.90000113.1
46H31.9Very low35.2Very low171 Ų171146 Ų14679%0.79281%0.811SS**  trans-166.1123.2150.8-112.968000110.6N44N44-H46 PolarHBondContact O-N 3.36Å
47N30.9Very low34.8Very low159 Ų159145.1 Ų145.185%0.8581%0.806SS**  trans-157.7104.8157.7-125.5-33.4000111.8
48Y35.1Very low34.6Very low212 Ų212143.6 Ų143.683%0.83180%0.803SS**  trans-81.6123154.7-104.1-101.9000106.1D50Y48-D50 PolarHBondContact O-N 3.47Å; Y48-D50 VanDerWaalsContact O-N 3.1Å
49P44.8Very low34.4Very low106 Ų106144.3 Ų144.369%0.68880%0.798SS**  trans-70108.3169.628.4-31.5000108.8
50D30Very low33.8Very low146 Ų146145.1 Ų145.178%0.78181%0.808SS**  trans-70.7139.7161.7-163.87000109Y48Y48-D50 PolarHBondContact O-N 3.47Å; Y48-D50 VanDerWaalsContact O-N 3.1Å
51M39.6Very low34.1Very low167 Ų167142.8 Ų142.882%0.82381%0.805SS**  trans-152.9101.5-175.1-85.9-64.3-178.900109.8
52E33.1Very low34.1Very low177 Ų177148.4 Ų148.483%0.82781%0.807SS**  trans-75.7162.2175.5-67.5-162.695.500113.6
53A33.3Very low34.2Very low95 Ų95145.6 Ų145.679%0.78580%0.798SS**  trans17.9106.5155.900000120.2
54V34.1Very low34.1Very low129 Ų129147 Ų14778%0.78279%0.792SS**  trans-128.4122.6142.9-176.70000108.5
55P32.8Very low34.3Very low114 Ų114144.7 Ų144.774%0.7479%0.786SS**  trans-84.8132.8-176.432.3-33.4000112.1
56L33.8Very low34.7Very low172 Ų172144.4 Ų144.490%0.90179%0.787SS**  trans-100.9107.5167.6-67.1-175.1000110.8
57L32.1Very low34.9Very low156 Ų156143.8 Ų143.882%0.81778%0.784SS**  trans-69.5131.8158.8-58.3172.1000108.5
58L30.5Very low35.1Very low148 Ų148143 Ų14378%0.77578%0.78SS**  -174.3133.4126.9-119.958.2000113.2
59N34.3Very low35.2Very low125 Ų125139 Ų13967%0.66878%0.783SS**  trans57.478.5145.4-61.10.1000119.4V61N59-V61 HydrophobicContact CB-CG2 4.24Å; N59-V61 PolarHBondContact O-N 2.9Å
60N30.3Very low34.9Very low178 Ų178141.5 Ų141.595%0.95279%0.79SS**  -64.6119129.7-80-35000108.4
61V39.5Very low35.2Very low128 Ų128140.7 Ų140.778%0.77680%0.795SS**  trans-123.3126161.1177.20000107.9N59N59-V61 HydrophobicContact CB-CG2 4.24Å; N59-V61 PolarHBondContact O-N 2.9Å
62K34.8Very low35.2Very low196 Ų196139 Ų13985%0.85279%0.794SS**  trans-128109.5177.9-178.3-167.2173-162.50107.7
63G35.7Very low35.8Very low61 Ų61138.5 Ų138.563%0.62980%0.797SS**  trans-163.2108175.400000105.3
64E34.7Very low36.1Very low165 Ų165140.1 Ų140.177%0.77179%0.788SS**  63.5114.581.5-60.6-48.5125.500111.8
65P37.2Very low36.4Very low105 Ų105143.8 Ų143.868%0.68279%0.794SS**  trans-91.5163.9-179.238-35.5000112.7
66P39.3Very low36.8Very low123 Ų123144.7 Ų144.780%0.79979%0.788SS**  trans-118.1159.9154.537-27.2000113
67E36.8Very low36.9Very low158 Ų158143.2 Ų143.274%0.73879%0.787SS**  trans-86.4-179.6-173.2-44.1-68.297.100113.8
68D35.3Very low37.2Very low143 Ų143143.7 Ų143.777%0.76579%0.785SS**  trans55.9109.7156.5-67.4-31.9000121.1
69S37.5Very low37.7Very low128 Ų128143 Ų14390%0.89579%0.787SS**  trans-150.9112.8140.9-77.30000109.8
70L37.4Very low38.5Very low158 Ų158145.3 Ų145.383%0.82779%0.794SS**  trans-76.6133.5179.8-64.1166.7000111
71S36.9Very low39Very low129 Ų129142.5 Ų142.590%0.90279%0.785SS**  trans-141.4121.2153.6-80.80000108.9
72V40.7Very low39.6Very low132 Ų132143.5 Ų143.580%0.879%0.791SS**  trans-105.4130.3177.4-156.60000107.3
73D45Very low39.8Very low165 Ų165140 Ų14088%0.88278%0.782SS**  trans-137.4136.2167.1-119.5-45.1000110.1
74H38.7Very low40.1Very low129 Ų129145.5 Ų145.560%0.59780%0.796SS**  trans-127.3112.9-160.2165.687.9000109.6Q76H74-Q76 PolarHBondContact NE2-OE1 2.98Å
75F42Very low40.5Very low207 Ų207141.4 Ų141.491%0.90879%0.786SS**  trans-116.2127.6172.1-111-89.8000110.9
76Q39.7Very low40.9Very low132 Ų132143.5 Ų143.562%0.61779%0.789SS**  trans-118.9118.6-159.3-171.6170.7-3.300110.7H74H74-Q76 PolarHBondContact NE2-OE1 2.98Å
77T37.5Very low41Very low141 Ų141144.3 Ų144.387%0.86579%0.787SS**  trans-123.4130.3169.947.30000109.6
78Q37.7Very low41.2Very low166 Ų166146 Ų14678%0.77679%0.792SS**  trans-93.9136.5-169.6-60.9165.3-12.400111.5
79T40.8Very low41.3Very low135 Ų135143.7 Ų143.783%0.82879%0.793SS**  trans-152.3111.2154.6500000110.4
80E50.4Low41.4Very low173 Ų173148.3 Ų148.381%0.80879%0.791SS**  trans8.9127.3158.3-51.5-49.988.100120.6
81P41.4Very low41.5Very low119 Ų119146.5 Ų146.577%0.77379%0.786SS**  trans-91.1155.5165.337-32.6000112.9
82V51.7Low41.4Very low149 Ų149145.7 Ų145.790%0.90378%0.78SS**  trans-128.2133.3161.2-86.70000109.9
83D38.5Very low41.7Very low122 Ų122145.5 Ų145.565%0.65278%0.782SS**  trans-88.8136.7-174.5-167.6-32.8000111.1S85D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.04Å
84L43.2Very low41.3Very low176 Ų176144 Ų14492%0.92178%0.779SS**  trans-153.571.5139.2-13672.2000112.8
85S43Very low41.2Very low80 Ų80142.3 Ų142.356%0.55979%0.787SS**  trans7.6153.9138.5-73.60000122.1D83D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.04Å
86I45.5Very low41.1Very low148 Ų148139.4 Ų139.476%0.75979%0.786SS**  trans96.3105.7149.5-74.6154.8000120.1
87N41.4Very low41.2Very low141 Ų141137.5 Ų137.575%0.75479%0.788SS**  trans55.2127141.6-55.1-20.6000122
88K40.3Very low41.5Very low193 Ų193135.9 Ų135.984%0.83978%0.782SS**  cis108.6126.212.8-173.7177.3-176175.80113.8
89A39Very low41.9Very low95 Ų95133.3 Ų133.379%0.78578%0.782SS**  trans68.7149.117000000116.7
90R38.1Very low42.7Very low225 Ų225132.3 Ų132.385%0.84978%0.778SS**  cis-165.8-176-18.1-160.9179.1-178.8-148.53.2108.2
91T40.2Very low42.4Very low120 Ų120131.1 Ų131.174%0.73678%0.783SS**  trans66.8117.3158.252.60000120.8
92S35.4Very low42.5Very low111 Ų111130.4 Ų130.478%0.77678%0.78SS**  trans-70.2166151.6-31.70000111.2
93P45.4Very low42.2Very low129 Ų129131.2 Ų131.284%0.83878%0.776SS**  -149.1-153.99741.7-23.9000115.2
94T36.6Very low42.4Very low132 Ų132131.8 Ų131.881%0.8178%0.784SS**  trans-94.6145-156.343.40000118.4
95A37Very low42.3Very low94 Ų94127.5 Ų127.578%0.77777%0.774SS**  trans50.4123.6130.600000123.5
96V40.9Very low42.3Very low146 Ų146129.5 Ų129.589%0.88579%0.788SS**  -174.3172.9129.2-88.90000107.7
97S40.1Very low42Very low92 Ų92126.8 Ų126.864%0.64379%0.788SS**  -166.9166.2-57.475.10000107.7
98S44.6Very low42.2Very low107 Ų107126.1 Ų126.175%0.74879%0.794SS**  trans70.4150.9169.1-44.50000117.1
99S46.9Very low42.2Very low112 Ų112122.1 Ų122.178%0.78379%0.791SS**  cis-159168.3-17.6-104.20000111.2
100P57.8Low42.7Very low115 Ų115123.1 Ų123.175%0.74779%0.789SS**  trans-116.6179.7-158.943.2-35.4000116.2
101V43.5Very low42.7Very low148 Ų148118.3 Ų118.390%0.89779%0.79SS**  trans-146.5153.2150.9-94.70000112
102S43.1Very low42.5Very low103 Ų103117.8 Ų117.872%0.7279%0.791SS**  trans-84.1174.1-173.5-49.20000112.9
103M45.9Very low42.6Very low167 Ų167119.6 Ų119.682%0.82380%0.798SS**  cis-154.1-17345.2-67-74.4-174.900110.4
104T43Very low42Very low134 Ų134118.4 Ų118.482%0.82279%0.792SS**  cis-151.2-166.810.6-25.60000111.2
105A40.8Very low42Very low85 Ų85117.8 Ų117.870%0.70279%0.789SS**  trans-75.5173.3171.500000112.6
106S43.1Very low41.8Very low123 Ų123118 Ų11886%0.8678%0.784SS**  cis-144.4160.430.5-66.50000115.1
107A39.9Very low41.5Very low90 Ų90115.9 Ų115.974%0.74478%0.776SS**  trans-118.3161.7-170.700000113.6
108S45.7Very low41.4Very low127 Ų127116.6 Ų116.689%0.88878%0.781SS**  trans-161.4145.8143.1-82.60000110.4
109S40.2Very low41Very low110 Ų110117.5 Ų117.577%0.76979%0.787SS**  trans-139.8-174.6-173-63.50000108.7
110P49.1Very low40.6Very low116 Ų116117.5 Ų117.575%0.75379%0.787SS**  -130.5-146.8-67.441.5-26.5000110.3
111S38.5Very low40Very low124 Ų124117.5 Ų117.587%0.86779%0.79SS**  trans96.5168.2160.884.50000117.6
112S34.7Very low39.7Very low108 Ų108121 Ų12176%0.75579%0.787SS**  trans-141.8143.5-147.358.70000113.6
113T37.4Very low39.6Very low150 Ų150123.6 Ų123.692%0.9279%0.792SS**  trans-144.9144.3161.721.50000111.9
114S34.2Very low39.2Very low103 Ų103119.2 Ų119.272%0.7278%0.783SS**  trans-85.9157.6165.249.60000109.3
115T35Very low39Very low120 Ų120118.7 Ų118.774%0.73678%0.784SS**  -176151.475.342.90000113.6
116S34.1Very low38.7Very low97 Ų97120 Ų12068%0.67879%0.788SS**  trans53.8129.8140.866.60000123.6
117S33.5Very low39Very low102 Ų102119.4 Ų119.471%0.71378%0.782SS**  trans58.6113.6136.461.80000121
118S38.2Very low39Very low108 Ų108121.2 Ų121.276%0.75578%0.783SS**  177.7145.699.6-76.30000111.7
119S36.4Very low38.6Very low125 Ų125121.1 Ų121.187%0.87478%0.777SS**  trans-146.193172.4-580000109.6
120S39.4Very low38.5Very low113 Ų113123.7 Ų123.779%0.7978%0.781SS**  trans-142.393.7-171.9-69.70000112.2
121S43.9Very low37.7Very low114 Ų114123.9 Ų123.980%0.79778%0.78SS**  trans-148.9126.5166.8320000107.1
122R38.1Very low37.6Very low223 Ų223123.6 Ų123.684%0.84278%0.778SS**  cis59.9121.131.8-62.9-172.7-178.1-118.24.1111.3
123L39.6Very low37.9Very low156 Ų156125.2 Ų125.282%0.81778%0.783SS**  cis-156.81637.6-91.2155.7000106.8
124A37.6Very low37.7Very low76 Ų76123.9 Ų123.963%0.62878%0.78SS**  cis-166.6-156.1-7.100000109.7
125S39.6Very low38Very low122 Ų122124.6 Ų124.685%0.85379%0.785SS**  trans81.9107.1152.8-54.10000120.5
126S35.5Very low38.1Very low112 Ų112122.9 Ų122.978%0.78378%0.783SS**  trans-81-169.3156.3-29.30000110.6
127P48.6Very low38.1Very low112 Ų112123.5 Ų123.573%0.72779%0.787SS**  cis-130.7-178-17.540-24.8000113
128T40.1Very low38.3Very low127 Ų127124.1 Ų124.178%0.77979%0.791SS**  trans-160.7142.5139.5-78.80000109.2I130T128-I130 HydrophobicContact CG2-CG1 4.35Å
129V35.9Very low38.1Very low125 Ų125124.5 Ų124.576%0.75879%0.794SS**  trans-111.6135.1175.6175.50000108.4
130I39.2Very low38.2Very low165 Ų165124.4 Ų124.485%0.84679%0.793SS**  trans-139.7134.6158.40.4176.3000110.9T128T128-I130 HydrophobicContact CG2-CG1 4.35Å
131T32.2Very low37.9Very low119 Ų119124.7 Ų124.773%0.7379%0.79SS**  trans-91143.5-172.148.30000112.9
132S36Very low37.7Very low119 Ų119126.2 Ų126.283%0.83279%0.794SS**  trans-146.197.5154-710000112.2
133V41.7Very low37.5Very low142 Ų142122.6 Ų122.686%0.86179%0.791SS**  trans12.4144.8148.3-63.50000122.4
134S33.1Very low37.7Very low122 Ų122122 Ų12285%0.85379%0.794SS**  trans-103.2125.3161.9-58.70000111.1
135S39.6Very low38.2Very low118 Ų118124.8 Ų124.883%0.82581%0.806SS**  trans-156.4126.2161.2-83.70000106.9
136A37.1Very low38.7Very low84 Ų84122.4 Ų122.469%0.69480%0.801SS**  cis104.2100.34500000111.9
137S34.2Very low39.5Very low109 Ų109122.8 Ų122.876%0.76280%0.8SS**  trans69.1153.3146.665.60000122.5
138S37.4Very low38.9Very low116 Ų116125.2 Ų125.281%0.81181%0.806SS**  trans93.3116.2150-57.10000119.7
139S35.6Very low38.9Very low115 Ų115126.4 Ų126.480%0.80481%0.813SS**  trans-63.4154.2171.6-36.20000113.5
140S38.7Very low39.1Very low124 Ų124124.4 Ų124.487%0.86781%0.81SS**  -169.4154.8123.1-85.70000114.7
141T33.1Very low39.1Very low118 Ų118122 Ų12272%0.72481%0.808SS**  trans-64.9143.3-177.5-330000114.8
142V37.9Very low39.5Very low146 Ų146120.7 Ų120.789%0.88581%0.809SS**  trans-140.3145.4146.4-179.40000108.7
143L35.8Very low39.5Very low148 Ų148121 Ų12178%0.77581%0.811SS**  trans-107.6151.8-178.2-61.5124000112.2
144T43.2Very low39.6Very low144 Ų144118 Ų11888%0.88381%0.809SS**  trans-146.3140.9145.4420000110.7
145P48.7Very low40.3Very low134 Ų134119.3 Ų119.387%0.8781%0.811SS**  trans-112.1166.9-176.540.5-33.8000115.1
146G49.9Very low40.4Very low72 Ų72117.8 Ų117.874%0.74281%0.814SS**  trans-161.2153.3169.300000111.8
147P50.6Low40.5Very low120 Ų120117 Ų11778%0.77981%0.814SS**  trans-120.8146.7-138.739.5-29.4000119.2
148L36.5Very low40.9Very low163 Ų163120 Ų12085%0.85382%0.816SS**  trans33.4118.9132.8-52.8176.5000122
149V41.5Very low41Very low151 Ų151122.8 Ų122.892%0.91582%0.816SS**  -177150.6129.4-92.10000108.6
150A40.1Very low41Very low84 Ų84126.4 Ų126.469%0.69482%0.817SS**  cis-161.4162.9-15.600000110.2
151S38.8Very low41Very low115 Ų115128.2 Ų128.280%0.80482%0.817SS**  trans56127.9159.5-56.70000120.1
152A40.9Very low41.1Very low90 Ų90129.7 Ų129.774%0.74482%0.815SS**  71.1129.951.700000113.3
153S36Very low41.4Very low126 Ų126130.4 Ų130.488%0.88181%0.812SS**  cis-158.4159.6-4.5-84.60000110.6
154G44.1Very low41.8Very low79 Ų79128.3 Ų128.381%0.81480%0.801SS**  trans-158.5135.9173.200000112.2
155V46.5Very low41.3Very low150 Ų150129.6 Ų129.691%0.90980%0.797SS**  trans-118.5151.6-164.5-69.70000114.3
156G41.7Very low40.9Very low86 Ų86128.9 Ų128.989%0.88779%0.792SS**  trans94.8133.7169.700000114.6
157G39.1Very low40.6Very low66 Ų66131.6 Ų131.668%0.6879%0.794SS**  cis135.5107.5-13.600000114.2
158Q42.3Very low40.8Very low173 Ų173131.3 Ų131.381%0.80879%0.792SS**  trans-171.5125.2147.9-108.6156.210700114.1
159Q41Very low41.1Very low174 Ų174129.4 Ų129.481%0.81379%0.789SS**  trans67.7153.6143.3-63.6178.525.400121.2
160F35.5Very low40.8Very low191 Ų191127.9 Ų127.984%0.83879%0.785SS**  trans-108.1154-167.5-73.9-116.9000111.4
161L37.9Very low40.8Very low162 Ų162129.1 Ų129.185%0.84879%0.789SS**  trans-152.3112.9131.1-114.1171.2000110.3
162H35.2Very low40.9Very low150 Ų150129.5 Ų129.569%0.69479%0.789SS**  trans-88.1123.9172.3-115.7-99.6000108.9I164H162-I164 HydrophobicContact CB-CD1 4.49Å
163I45.1Very low40.7Very low160 Ų160132.9 Ų132.982%0.82179%0.791SS**  trans-117.2134.8164.2-63.9178.7000107.2
164I43.7Very low40.7Very low105 Ų105134.4 Ų134.454%0.53879%0.789SS.*  trans-134.5137-159.7-77.3179.2000109.9H162H162-I164 HydrophobicContact CB-CD1 4.49Å
165H33.6Very low40.1Very low171 Ų171136.7 Ų136.779%0.79278%0.782SS**  trans68164.3166.8-66-20.3000116.8
166P40.1Very low39.6Very low119 Ų119139.1 Ų139.177%0.77378%0.783SS**  cis-117.3159.24.139.8-27.7000116.3
167V42.6Very low39.2Very low129 Ų129140.2 Ų140.278%0.78278%0.778SS**PPolyproline II helixtrans-100.3129.3163.81760000108.2
168P54Low39.1Very low113 Ų113144.9 Ų144.973%0.73479%0.787SS**PPolyproline II helixtrans-76.1139.9172.730.9-33.3000111
169P44.5Very low38.6Very low123 Ų123145.5 Ų145.580%0.79979%0.787SS**PPolyproline II helixtrans-80.1136.5-172.431-35.2000113.4
170S35.3Very low38.2Very low119 Ų119145.1 Ų145.183%0.83279%0.79SS**PPolyproline II helixtrans-86.2122.716455.40000110.6
171S39.6Very low37.9Very low110 Ų110140.7 Ų140.777%0.76978%0.782SS**  trans-145158.2175.8-88.60000111.5
172P41.4Very low37.8Very low124 Ų124141.6 Ų141.681%0.80578%0.782SS**  -118-170.1-128.742.8-36.2000116.6
173M36.2Very low37.7Very low160 Ų160141 Ų14179%0.78879%0.789SS**  trans-55.5149.7-173.9-50.1169.172.900115.4L175M173-L175 HydrophobicContact CE-CD1 4.32Å
174N34.7Very low37.3Very low158 Ų158141.3 Ų141.385%0.84579%0.786SS**  trans-146.2163.8130.3-139-68.2000111.6
175L32.7Very low36.8Very low128 Ų128147.3 Ų147.367%0.6780%0.802SS**  trans-102.4141.1-178.5-81.462000109.6M173M173-L175 HydrophobicContact CE-CD1 4.32Å
176Q36.6Very low36.9Very low200 Ų200145.9 Ų145.994%0.93580%0.799SS**  trans-157120.4138.2-116.2164.7-1.800111.2
177S32.4Very low36.6Very low110 Ų110145.8 Ų145.877%0.76980%0.798SS**  trans-79.5130.7174.5-58.40000110.3
178N36Very low36.2Very low164 Ų164145.5 Ų145.588%0.87780%0.797SS**  trans-160.8150.7131.3-107.7-34.7000114.5
179K33.2Very low35.2Very low185 Ų185146.5 Ų146.580%0.80480%0.8SS**  trans-68.9135.2178.2-55.3160.9174.6173.10110.4
180L32Very low34.8Very low166 Ų166146.2 Ų146.287%0.86980%0.796SS**  -169.3169.9108.2-127.968.7000112.8
181S30Very low34.7Very low98 Ų98149.2 Ų149.269%0.68580%0.797SS**  trans-83.5127.8-172.149.90000114.9
182H34.9Very low34.6Very low181 Ų181149.5 Ų149.584%0.83880%0.799SS**  -167.2121.7126.2-118.5-74000111.4
183V33.4Very low34.2Very low138 Ų138149.6 Ų149.684%0.83680%0.797SS**  trans-93.2103.6170.7178.80000108.8
184H37.6Very low34.1Very low166 Ų166147.5 Ų147.577%0.76980%0.795SS**  trans-81.6117.6171.8-150.6-74.5000109.2I186H184-I186 PolarHBondContact O-N 3.43Å
185R32.9Very low34.1Very low231 Ų231144.6 Ų144.687%0.87278%0.783SS**  trans-69.9131.5173.8-76.8-179.8172.3156.8-2.6109.6
186I33.9Very low34Very low141 Ų141144.8 Ų144.872%0.72379%0.789SS**  trans-120.8124165.7-60177.5000106.4H184H184-I186 PolarHBondContact O-N 3.43Å
187P34.5Very low33.7Very low118 Ų118142.5 Ų142.577%0.76677%0.773SS**  trans-80129.2179.531.3-32.4000110.9
188V34.3Very low33.8Very low123 Ų123143.1 Ų143.175%0.74577%0.773SS**  trans-106.1115.5167.8179.40000108V190V188-V190 HydrophobicContact CG1-CG2 4.31Å
189V32.6Very low33.5Very low134 Ų134139.3 Ų139.381%0.81276%0.763SS**  trans-84119.9175.5179.10000108.5
190V37.2Very low33.5Very low117 Ų117136.7 Ų136.771%0.70976%0.763SS**  trans-108.3125.6172.7-173.50000108.1V188 S192V188-V190 HydrophobicContact CG1-CG2 4.31Å; V190-S192 PolarHBondContact O-N 2.71Å
191Q32.4Very low33.4Very low182 Ų182140.1 Ų140.185%0.8576%0.764SS**  trans-70.2120.3-178.7-70.1177.4-20.900110.6
192S38.4Very low33.3Very low116 Ų116140.4 Ų140.481%0.81177%0.766SS**  trans-91.6108179.6-62.20000111V190V190-S192 PolarHBondContact O-N 2.71Å
193V32.2Very low33.1Very low126 Ų126138 Ų13876%0.76477%0.767SS**  trans-83.9123.2172.2-170.30000109V195V193-V195 PolarHBondContact O-N 3.38Å
194P34.9Very low33.1Very low115 Ų115135.4 Ų135.475%0.74777%0.768SS**  trans-76.3109.1-174.329-34000112.1
195V34.3Very low32.9Very low97 Ų97132.3 Ų132.359%0.58876%0.757SS**  trans-81115.8168.2-178.40000109.1V193 Y197V193-V195 PolarHBondContact O-N 3.38Å; V195-Y197 HydrophobicContact CB-CE2 3.84Å; V195-Y197 HydrophobicContact CG1-CD2 4.26Å; V195-Y197 HydrophobicContact CG1-CE1 4.1Å; V195-Y197 HydrophobicContact CG1-CE2 3.67Å; V195-Y197 VanDerWaalsContact O-CD2 3.25Å; V195-Y197 WeakPolarHBondContact O-CD2 3.47Å
196V31Very low33.1Very low132 Ų132128 Ų12880%0.876%0.756SS**  trans-79.8120.4179.6-178.50000110.1
197Y29.5Very low33.1Very low152 Ų152126.2 Ų126.260%0.59675%0.748SS**  trans-110.5123.9177.2-66.3-82.8000111.4V195 V211V195-Y197 HydrophobicContact CB-CE2 3.84Å; V195-Y197 HydrophobicContact CG1-CD2 4.26Å; V195-Y197 HydrophobicContact CG1-CE1 4.1Å; V195-Y197 HydrophobicContact CG1-CE2 3.67Å; V195-Y197 VanDerWaalsContact O-CD2 3.25Å; V195-Y197 WeakPolarHBondContact O-CD2 3.47Å; Y197-V211 HydrophobicContact CD1-CG1 4.31Å
198T33.7Very low33.3Very low124 Ų124124.4 Ų124.476%0.76173%0.732SS**  trans-89.2116.9174.946.90000111.2
199A31.7Very low33.4Very low83 Ų83124.9 Ų124.969%0.68674%0.735SS**  trans-96.8102.3-17600000112.5R201A199-R201 PolarHBondContact O-N 3.38Å
200V32.1Very low33.8Very low131 Ų131121.1 Ų121.179%0.79471%0.71SS**  trans-85.4105.5176.4-176.60000110.9S202V200-S202 PolarHBondContact O-N 2.67Å
201R30.4Very low34Very low238 Ų238119.3 Ų119.390%0.89870%0.699SS**  trans-82.999.7-174.7-168.3174.4-171.9157.4-0.7112.5A199A199-R201 PolarHBondContact O-N 3.38Å
202S27.6Very low34.7Very low104 Ų104113.2 Ų113.273%0.72767%0.674SS**  trans-78121.7165.4-73.30000111V200V200-S202 PolarHBondContact O-N 2.67Å
203P31.1Very low34.7Very low130 Ų130111.8 Ų111.884%0.84466%0.662SS**SBendtrans-71.9136.5175.529.1-33.7000111.3
204G32.6Very low34.9Very low84 Ų84113.8 Ų113.887%0.86667%0.667SS**SBendtrans138.6-1.5170.100000118
205N33.7Very low35.4Very low100 Ų100114 Ų11454%0.53566%0.662SS.*  trans-147.7109.4172.4-175.50.5000111.2N207N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.49Å; N205-N207 PolarHBondContact OD1-N 3.36Å
206V36.6Very low35.7Very low140 Ų140118.4 Ų118.485%0.84868%0.676SS**THydrogen-bonded Turntrans-80-6.8-173.5-69.60000115
207N34.3Very low35.8Very low104 Ų104120 Ų12056%0.55668%0.68SS**THydrogen-bonded Turntrans-109.5-3.2-168-71.1-7000116N205N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.49Å; N205-N207 PolarHBondContact OD1-N 3.36Å
208N38.3Very low36.2Very low81 Ų81116.3 Ų116.343%0.43369%0.688SS.*  trans-140.178-174.7-79.9-8.3000112.7R369N208-R369 PolarHBondContact OD1-NH2 2.74Å
209T37.6Very low36.2Very low133 Ų133121.8 Ų121.882%0.81670%0.695SS**  trans-101.596.2166.6-54.80000109.7
210I39.7Very low36.4Very low54 Ų54121.1 Ų121.128%0.27770%0.696SS.*  trans-137.2128.2169.5-62.8-177.9000107.2T365 Y368 R369I210-T365 HydrophobicContact CB-CG2 4.02Å; I210-T365 HydrophobicContact CD1-CG2 3.93Å; I210-T365 HydrophobicContact CG1-CG2 4.38Å; I210-T365 HydrophobicContact CG2-CG2 4.35Å; I210-Y368 HydrophobicContact CG2-CD1 4.47Å; I210-R369 HydrophobicContact CD1-CG 4.09Å
211V41.7Very low36.5Very low79 Ų79124.2 Ų124.248%0.47970%0.702SS.*  trans-73.4132.6-178.7-1770000109.7Y197Y197-V211 HydrophobicContact CD1-CG1 4.31Å
212V47.2Very low36.8Very low55 Ų55116.3 Ų116.333%0.33369%0.694SS.*  trans-124138165.6-860000108.2L214 L364V212-L214 PolarHBondContact O-N 3.32Å; V212-L364 HydrophobicContact CG1-CD2 4.05Å; V212-L364 HydrophobicContact CG1-CG 4.49Å
213P38.1Very low36.9Very low86 Ų86122 Ų12256%0.55871%0.705SS**PPolyproline II helixtrans-58.7138.6179.9-24.333.9000111.9L215P213-L215 PolarHBondContact O-N 2.87Å
214L37.6Very low37.3Very low167 Ų167120.1 Ų120.187%0.87470%0.701SS**PPolyproline II helixtrans-67.2123.6157.4-77.695.7000107.7V212V212-L214 PolarHBondContact O-N 3.32Å
215L45Very low37.5Very low119 Ų119125.3 Ų125.362%0.62370%0.703SS**PPolyproline II helixtrans-87.9129.6157.2-77.576.3000106.3P213P213-L215 PolarHBondContact O-N 2.87Å
216E40.1Very low37.6Very low191 Ų191128.8 Ų128.889%0.89372%0.718SS**PPolyproline II helixtrans-68.1138.1178.9-61.3178.1108.600110.6G218E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.47Å
217D33.6Very low37.7Very low165 Ų165129.6 Ų129.688%0.88272%0.717SS**  trans-73.880.6-178.6-91.1-53.3000111R219D217-R219 PolarHBondContact O-N 3.25Å
218G37.2Very low38Very low75 Ų75130.5 Ų130.577%0.77373%0.729SS**  trans-58.1101.2173.200000112E216 G220E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.47Å; G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.44Å
219R33.6Very low37.9Very low239 Ų239138.4 Ų138.490%0.90275%0.753SS**  trans-78.668-171.5-164.9-174.3-61-161.73.5112.8D217D217-R219 PolarHBondContact O-N 3.25Å
220G36Very low37.8Very low68 Ų68135.2 Ų135.270%0.70175%0.746SS**  trans-90.4112.9176.900000113.6G218G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.44Å
221H34.3Very low37.5Very low197 Ų197141.4 Ų141.491%0.91278%0.779SS**  trans-93.2105162.9-79.2-26.3000110
222G36.4Very low37.1Very low71 Ų71142.9 Ų142.973%0.73279%0.793SS**  trans-137.5124.8172.500000110.6A224G222-A224 PolarHBondContact O-N 3.49Å
223K31.2Very low36.5Very low223 Ų223145.7 Ų145.797%0.9781%0.812SS**  trans-82.3112.3172.2-65.8177.2-177.4174.20108.3
224A38.1Very low36.2Very low92 Ų92153.3 Ų153.376%0.7683%0.83SS**  trans-115.2131.4168.600000109.2G222G222-A224 PolarHBondContact O-N 3.49Å
225Q36.4Very low36.2Very low192 Ų192152.5 Ų152.590%0.89782%0.821SS**  trans-73.1159.3170.3-72.6172-32.800110
226M36.7Very low36Very low174 Ų174151.4 Ų151.486%0.85782%0.824SS**  trans-112111.8-175.8-70.3-179.6167.500111.1P228M226-P228 WeakPolarHBondContact O-CD 3.35Å
227D39.6Very low35.8Very low156 Ų156150.8 Ų150.883%0.83482%0.818SS**  trans-85.3116.8167.5-82.2-65.9000111.1R229D227-R229 VanDerWaalsContact C-N 3.32Å; D227-R229 PolarHBondContact O-N 3.34Å
228P40Very low36.2Very low123 Ų123147.2 Ų147.280%0.79981%0.806SS**SBendtrans-88.550.8-169.236.1-37.2000113.7M226M226-P228 WeakPolarHBondContact O-CD 3.35Å
229R36.7Very low36.4Very low248 Ų248144.5 Ų144.594%0.93677%0.774SS**  trans-14571.9177.2-94.5169.2-162-159.33.1113.5D227D227-R229 VanDerWaalsContact C-N 3.32Å; D227-R229 PolarHBondContact O-N 3.34Å
230G33.6Very low36.8Very low66 Ų66137 Ų13768%0.6876%0.758SS**  trans-139100.9175.400000113.6S232G230-S232 PolarHBondContact O-N 3.16Å
231L34Very low37.4Very low183 Ų183139.1 Ų139.196%0.95875%0.753SS**  trans-75.880179.1-71.9172.6000111.9
232S33.6Very low38.2Very low110 Ų110133.1 Ų133.177%0.76973%0.728SS**  trans-65.6133.9172.3-72.40000111.9G230G230-S232 PolarHBondContact O-N 3.16Å
233P34.3Very low39Very low114 Ų114136.2 Ų136.274%0.7473%0.728SS**  trans-58.2139.7-179.3-28.435.9000114.9Q235P233-Q235 PolarHBondContact O-N 3.09Å
234R31.5Very low40.1Very low247 Ų247127 Ų12793%0.93269%0.689SS**  trans-65.285.6175.7-81.9-178.9156.2-156.2-2.5112.4
235Q39.2Very low40.8Very low149 Ų149127.9 Ų127.970%0.69668%0.68SS**  trans-119.130168-68.8-161.9-15.300113.3P233 K345P233-Q235 PolarHBondContact O-N 3.09Å; Q235-K345 WeakPolarHBondContact O-CE 3.35Å; Q235-K345 PolarHBondContact O-NZ 3.22Å
236S39Very low41.2Very low96 Ų96120.4 Ų120.467%0.67165%0.649SS**  trans-115.435.917445.50000112.9S238S236-S238 PolarHBondContact O-N 3.22Å
237K37.1Very low41.5Very low178 Ų178118.8 Ų118.877%0.77464%0.643SS**  trans-68.8105.5149.8-87.2-170.1172.7-173.90106.9D239K237-D239 PolarHBondContact O-N 3.21Å
238S41.3Very low41.3Very low91 Ų91116.4 Ų116.464%0.63663%0.634SS**  trans-56.4129.5161.150.50000108.4S236 S240S236-S238 PolarHBondContact O-N 3.22Å; S238-S240 PolarHBondContact O-N 2.97Å
239D42.1Very low41.2Very low18 Ų18114.6 Ų114.610%0.09662%0.621CS.*  trans2.9103.2175.7-49.2-33.8000114.3K237 D241 R366K237-D239 PolarHBondContact O-N 3.21Å; D239-D241 PolarHBondContact O-N 3.29Å; D239-R366 IonicContact OD2-CZ 3.66Å; D239-R366 IonicContact OD2-NE 3.73Å; D239-R366 PolarHBondContact OD2-NE 3.48Å; D239-R366 IonicContact OD2-NH2 3.61Å; D239-R366 PolarHBondContact OD2-NH2 2.76Å
240S42.4Very low40.9Very low80 Ų80110.6 Ų110.656%0.55962%0.617SS**  trans-49124.4155.3-55.50000106.4S238 D242S238-S240 PolarHBondContact O-N 2.97Å; S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.83Å
241D47Very low40.9Very low114 Ų114114 Ų11461%0.6162%0.62SS**  trans-61.996.1-170.7-73.4-78.7000110.4D239 R388 H391D239-D241 PolarHBondContact O-N 3.29Å; D241-R388 IonicContact OD1-CZ 3.5Å; D241-R388 IonicContact OD1-NH1 2.87Å; D241-R388 PolarHBondContact OD1-NH1 3.25Å; D241-R388 IonicContact OD1-NH2 3.61Å; D241-H391 IonicContact OD1-CE1 2.82Å; D241-H391 IonicContact OD1-NE2 3.77Å
242D51.3Low41.1Very low70 Ų70110 Ų11037%0.37461%0.607SS.*  trans-62.9147.9-175.5-76.9-64000110.8S240 D244 K370S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.83Å; D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact O-N 3.41Å; D242-K370 WeakPolarHBondContact OD1-CE 3.39Å; D242-K370 IonicContact OD1-NZ 3.15Å; D242-K370 PolarHBondContact OD1-NZ 2.81Å; D242-K370 WeakPolarHBondContact OD2-CD 3.18Å; D242-K370 VanDerWaalsContact OD2-CE 3.27Å; D242-K370 WeakPolarHBondContact OD2-CE 3.24Å; D242-K370 IonicContact OD2-NZ 2.78Å; D242-K370 PolarHBondContact OD2-NZ 2.82Å
243D53.4Low41.1Very low136 Ų136111.3 Ų111.373%0.72761%0.61SS**  trans-54.186.8178.8-71.7-80.1000113.2L245D243-L245 HydrophobicContact CB-CD1 3.97Å; D243-L245 HydrophobicContact CB-CG 3.96Å; D243-L245 PolarHBondContact O-N 3.48Å
244D55Low41.2Very low30 Ų30113 Ų11316%0.1661%0.613CS.*  trans-73.248162.1-131.1-26.1000109.2D242 K375 F386 S387 H391D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact O-N 3.41Å; D244-K375 WeakPolarHBondContact OD1-CD 3Å; D244-K375 WeakPolarHBondContact OD1-CE 3.2Å; D244-K375 IonicContact OD1-NZ 2.66Å; D244-K375 PolarHBondContact OD1-NZ 3.44Å; D244-F386 HydrophobicContact CB-CD1 4.32Å; D244-S387 WeakPolarHBondContact OD2-CB 3.46Å; D244-S387 PolarHBondContact OD2-N 3.35Å; D244-S387 PolarHBondContact OD2-OG 3.2Å; D244-H391 IonicContact OD2-CD2 3.75Å
245L53Low41.1Very low111 Ų111109.9 Ų109.958%0.58161%0.609SS**  trans-53.7136.7174.9-84.3166.4000108.8D243 K375D243-L245 HydrophobicContact CB-CD1 3.97Å; D243-L245 HydrophobicContact CB-CG 3.96Å; D243-L245 PolarHBondContact O-N 3.48Å; L245-K375 PolarHBondContact O-NZ 2.9Å
246P45.2Very low41Very low35 Ų35109.8 Ų109.823%0.22762%0.619CS.*  trans-65.6138.8175.531.4-36000108.8V248 R384P246-V248 VanDerWaalsContact C-N 3.35Å; P246-V248 HydrophobicContact CG-CG1 4.48Å; P246-V248 PolarHBondContact O-N 2.7Å; P246-R384 HydrophobicContact CB-CG 3.91Å
247N43.1Very low40.8Very low140 Ų140108.4 Ų108.475%0.74962%0.62SS**  trans-67.298.6165.2-17445.8000108.2T249N247-T249 WeakPolarHBondContact ND2-CG2 3.38Å
248V34.4Very low40.5Very low105 Ų105106.2 Ų106.264%0.63663%0.627SS**  trans-95.3103.8164-74.40000106.6P246 L250P246-V248 VanDerWaalsContact C-N 3.35Å; P246-V248 HydrophobicContact CG-CG1 4.48Å; P246-V248 PolarHBondContact O-N 2.7Å; V248-L250 PolarHBondContact O-N 3.28Å
249T37.5Very low40.3Very low86 Ų86108.3 Ų108.353%0.52864%0.636SS.*  trans-70.1119.117554.10000108.3N247 D251N247-T249 WeakPolarHBondContact ND2-CG2 3.38Å; T249-D251 WeakPolarHBondContact CB-OD2 3.16Å; T249-D251 PolarHBondContact O-N 2.9Å; T249-D251 PolarHBondContact OG1-OD2 3.17Å
250L30.7Very low39.9Very low163 Ų163112.7 Ų112.785%0.85368%0.675SS**  trans-80.560.7171.8-82.3169000109.3V248 S252V248-L250 PolarHBondContact O-N 3.28Å; L250-S252 PolarHBondContact O-N 3.07Å; L250-S252 PolarHBondContact O-OG 3.37Å
251D34.3Very low39.8Very low137 Ų137116.8 Ų116.873%0.73369%0.69SS**  trans-67.7113.7172.7-68.3-58.9000108.4T249T249-D251 WeakPolarHBondContact CB-OD2 3.16Å; T249-D251 PolarHBondContact O-N 2.9Å; T249-D251 PolarHBondContact OG1-OD2 3.17Å
252S38Very low39.2Very low99 Ų99117.1 Ų117.169%0.69270%0.7SS**  trans-88.1134.7-169.6-65.20000111L250 N254L250-S252 PolarHBondContact O-N 3.07Å; L250-S252 PolarHBondContact O-OG 3.37Å; S252-N254 PolarHBondContact O-N 3.44Å
253V32.6Very low38.5Very low139 Ų139121.9 Ų121.984%0.84272%0.724SS**  trans-2.598.3163.1-750000116.8
254N36.5Very low37.7Very low148 Ų148120.2 Ų120.279%0.79173%0.729SS**  trans-120.674158.161.1-20.4000110.2S252 T256S252-N254 PolarHBondContact O-N 3.44Å; N254-T256 PolarHBondContact O-N 2.95Å
255E31.3Very low36.7Very low182 Ų182130.8 Ų130.885%0.8577%0.767SS**  trans-61.1103.6164.8-66.2-174.5113.300109.8
256T36.3Very low35.8Very low148 Ų148130.1 Ų130.191%0.90878%0.778SS**  trans163.4135149.230.50000109.2N254N254-T256 PolarHBondContact O-N 2.95Å
257G35.5Very low35.7Very low67 Ų67135.7 Ų135.769%0.69181%0.81SS**  trans137.159.6170.300000116.7T259G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.1Å
258S30.4Very low35.6Very low132 Ų132136.9 Ų136.992%0.92381%0.811SS**  trans-71.669.5173.6-59.70000113.4
259T37.3Very low35.5Very low135 Ų135138.6 Ų138.683%0.82881%0.813SS**  trans-155.286170.145.10000112.8G257G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.1Å
260A33.2Very low35.7Very low109 Ų109141 Ų14190%0.90183%0.827SS**  trans-140.96.7170.500000114.3
261L39.9Very low36.1Very low167 Ų167140.3 Ų140.387%0.87482%0.819SS**SBendtrans-116.485.2-173.7-157.5157.1000109.2
262S34Very low36.7Very low120 Ų120139.9 Ų139.984%0.83982%0.824SS**SBendtrans-172.2-26.7168.8-87.10000117.5
263I37.2Very low36.8Very low171 Ų171139.8 Ų139.888%0.87782%0.823SS**  trans-11286.2-162.6-49.3-179.2000113.3
264A36.6Very low37.1Very low100 Ų100139 Ų13983%0.82682%0.821SS**  trans-16986.6153.400000111
265R33.8Very low37.3Very low252 Ų252139 Ų13995%0.95183%0.826SS**  trans-123.5151.8165.1-109.5-179.5173.6155.6-2108.7
266A33.5Very low37.5Very low98 Ų98135.2 Ų135.281%0.8182%0.82SS**  trans68.187.9177.800000117
267V44Very low37.3Very low151 Ų151140.2 Ų140.292%0.91582%0.822SS**  trans-129.6144.1139.1178.70000107.3
268Q41Very low37.5Very low165 Ų165143.8 Ų143.877%0.77183%0.83SS**  trans-71.7144.7-163.6-146.979.9-6.500115.1V270Q268-V270 PolarHBondContact O-N 2.85Å
269E33.3Very low37.7Very low141 Ų141149.2 Ų149.266%0.65983%0.83SS**  trans-5108.2148.3-61.8-71.4122.100117.9H271E269-H271 IonicContact OE2-CD2 3.69Å; E269-H271 IonicContact OE2-NE2 3.66Å
270V41.3Very low37.4Very low138 Ų138145.7 Ų145.784%0.83682%0.821SS**  trans-144.4104.1146-1750000109.7Q268 P272Q268-V270 PolarHBondContact O-N 2.85Å; V270-P272 WeakPolarHBondContact O-CD 3.23Å
271H38.5Very low37.5Very low147 Ų147148.7 Ų148.768%0.68182%0.822SS**  trans-81.8125.4173.8-74.4-81.3000112.2E269 S273E269-H271 IonicContact OE2-CD2 3.69Å; E269-H271 IonicContact OE2-NE2 3.66Å; H271-S273 PolarHBondContact O-N 3.08Å
272P46.4Very low37.4Very low128 Ų128152.1 Ų152.183%0.83182%0.823SS**  trans-78.3106.8158.930.6-30.3000109.7V270V270-P272 WeakPolarHBondContact O-CD 3.23Å
273S40.9Very low37.6Very low97 Ų97155 Ų15568%0.67883%0.826SS**  trans-62148.5-174.5-54.90000114.3H271 V275H271-S273 PolarHBondContact O-N 3.08Å; S273-V275 PolarHBondContact O-N 3.13Å
274P37.9Very low37.6Very low124 Ų124153.6 Ų153.681%0.80582%0.82SS**  trans-72.7122.4177.429.9-34.2000111.4S276P274-S276 PolarHBondContact O-N 2.95Å
275V41.5Very low37.5Very low146 Ų146156.5 Ų156.589%0.88582%0.822SS**  trans-83.8115.8177.9-161.80000110.1S273S273-V275 PolarHBondContact O-N 3.13Å
276S35.6Very low37.5Very low104 Ų104152.6 Ų152.673%0.72781%0.814SS**  trans-64.3151.6-169.8-63.80000115.4P274 V278P274-S276 PolarHBondContact O-N 2.95Å; S276-V278 PolarHBondContact O-N 3.22Å
277R31.9Very low37.6Very low252 Ų252157.3 Ų157.395%0.95182%0.816SS**  trans-55.5124.5164.5-73.9175.1170.7154.4-3.9110.5
278V40.6Very low37Very low142 Ų142160 Ų16086%0.86182%0.816SS**  trans-108.8128.3158.2179.90000108.3S276S276-V278 PolarHBondContact O-N 3.22Å
279R32.9Very low36.7Very low246 Ų246157.3 Ų157.393%0.92881%0.813SS**  trans-105.1105.9-169.3-175.8-174-173.8-172.92.9111
280G30.8Very low36.8Very low62 Ų62156 Ų15664%0.63982%0.819SS**  trans83.7125.116100000116.3
281N36.4Very low36.6Very low171 Ų171155.6 Ų155.691%0.91482%0.821SS**  -151.8157.2111.1-106.8-25000111.1
282R37.5Very low37.1Very low240 Ų240153 Ų15391%0.90681%0.812SS**  trans-121.189.9-162.9-178.2-162.1-163.1179.77110.5
283M39.1Very low36.7Very low180 Ų180150.6 Ų150.689%0.88780%0.798SS**  trans-143.6105.3-178.6-98.3151.4164.700114.1
284N35.8Very low37.1Very low141 Ų141151.7 Ų151.775%0.75480%0.802SS**  trans53.8142.9137.9-147.40.1000121.9Q286N284-Q286 PolarHBondContact O-N 3.36Å
285N34.5Very low37.1Very low162 Ų162155.5 Ų155.587%0.86681%0.807SS**  trans-72.986.7-178.7-78.4-36000113
286Q35.2Very low37.6Very low169 Ų169149.9 Ų149.979%0.7977%0.774SS**  trans-134.5108.9165.9-64.4-163.83200113.4N284N284-Q286 PolarHBondContact O-N 3.36Å
287K35.2Very low38.4Very low197 Ų197151.2 Ų151.286%0.85777%0.772SS**  trans43.785.2149-166.1120.1175-171.50117.6P289K287-P289 VanDerWaalsContact O-CD 3.26Å; K287-P289 WeakPolarHBondContact O-CD 3.49Å
288F30.3Very low39.3Very low207 Ų207146.9 Ų146.991%0.90876%0.762SS**PPolyproline II helixtrans-58.3122.6165.4-66.5-82.3000112.4
289P35Very low39.8Very low110 Ų110142.4 Ų142.471%0.71474%0.737SS**PPolyproline II helixtrans-86.2147.3157.235.3-30000109.9K287K287-P289 VanDerWaalsContact O-CD 3.26Å; K287-P289 WeakPolarHBondContact O-CD 3.49Å
290C36.3Very low40.8Very low114 Ų114133.6 Ų133.677%0.7771%0.711SS**PPolyproline II helixtrans-82118.5171.1-67.80000110.1I292C290-I292 HydrophobicContact CB-CD1 4.46Å; C290-I292 HydrophobicContact CB-CG1 4.14Å; C290-I292 PolarHBondContact O-N 2.8Å
291S37Very low42.2Very low128 Ų128140.5 Ų140.590%0.89572%0.718SS**  trans-71.171.3174.6-52.50000111.9
292I48.4Very low43.1Very low93 Ų93142.4 Ų142.448%0.47771%0.712SS.*  trans-80.4132.9173.2-55.4177.5000108.4C290C290-I292 HydrophobicContact CB-CD1 4.46Å; C290-I292 HydrophobicContact CB-CG1 4.14Å; C290-I292 PolarHBondContact O-N 2.8Å
293S37.6Very low43.9Very low78 Ų78133.8 Ų133.855%0.54568%0.682SS.*  trans-62.3155.9178.852.90000112.5F295 S296S293-F295 PolarHBondContact O-N 3.42Å; S293-S296 PolarHBondContact O-N 3.26Å
294P48.7Very low44.6Very low119 Ų119134.3 Ų134.377%0.77367%0.674SS**THydrogen-bonded Turntrans-65-0.5-172.424.3-34.8000115.9S296 I297P294-S296 PolarHBondContact O-N 3.36Å; P294-I297 WeakPolarHBondContact O-CG1 3.28Å
295F39.6Very low45.5Very low204 Ų204137.7 Ų137.790%0.89568%0.676SS**THydrogen-bonded Turntrans-70.2-4.1173.7-104-90.6000114.8S293S293-F295 PolarHBondContact O-N 3.42Å
296S51.1Low46.5Very low29 Ų29134 Ų13420%0.20366%0.663CS.*  trans-99.225.8-166.9-152.90000115S293 P294 E298 S299S293-S296 PolarHBondContact O-N 3.26Å; P294-S296 PolarHBondContact O-N 3.36Å; S296-E298 PolarHBondContact O-N 2.94Å; S296-S299 VanDerWaalsContact O-CB 3.24Å; S296-S299 WeakPolarHBondContact O-CB 3.31Å; S296-S299 PolarHBondContact O-N 3.21Å; S296-S299 VanDerWaalsContact O-N 3.12Å; S296-S299 PolarHBondContact O-OG 3.39Å; S296-S299 WeakPolarHBondContact OG-CB 3.38Å; S296-S299 PolarHBondContact OG-OG 3.03Å
297I52.4Low47.3Very low132 Ų132131.4 Ų131.468%0.67765%0.651SS**THydrogen-bonded Turntrans-63.6-42-170.3-51.6-178.5000112.1P294 S299 T300P294-I297 WeakPolarHBondContact O-CG1 3.28Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 3.33Å; I297-T300 WeakPolarHBondContact O-CB 3.24Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.37Å; I297-T300 PolarHBondContact O-N 2.89Å; I297-T300 PolarHBondContact O-OG1 3.23Å
298E51.2Low48.3Very low160 Ų160124.4 Ų124.475%0.74863%0.627SS**THydrogen-bonded Turntrans-67.3-28.6176.1-17554.3-147.300112.7S296 T300S296-E298 PolarHBondContact O-N 2.94Å; E298-T300 PolarHBondContact O-N 2.96Å
299S51.2Low49.7Very low48 Ų48119.2 Ų119.234%0.33661%0.614SS.*THydrogen-bonded Turntrans-63.1-25.5177-50.10000112.7S296 I297 R301 R302 Q303S296-S299 VanDerWaalsContact O-CB 3.24Å; S296-S299 WeakPolarHBondContact O-CB 3.31Å; S296-S299 PolarHBondContact O-N 3.21Å; S296-S299 VanDerWaalsContact O-N 3.12Å; S296-S299 PolarHBondContact O-OG 3.39Å; S296-S299 WeakPolarHBondContact OG-CB 3.38Å; S296-S299 PolarHBondContact OG-OG 3.03Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 3.33Å; S299-R301 PolarHBondContact O-N 2.83Å; S299-R301 VanDerWaalsContact O-N 3.17Å; S299-R302 PolarHBondContact O-N 3.22Å; S299-Q303 PolarHBondContact O-N 2.79Å
300T54.3Low50.7Low62 Ų62119.7 Ų119.738%0.3861%0.611SS.*Hα-helixtrans-56.9-34.5-173.562.20000113.2I297 E298 R302 Q303 R304I297-T300 WeakPolarHBondContact O-CB 3.24Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.37Å; I297-T300 PolarHBondContact O-N 2.89Å; I297-T300 PolarHBondContact O-OG1 3.23Å; E298-T300 PolarHBondContact O-N 2.96Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.45Å; T300-Q303 PolarHBondContact O-N 3.06Å; T300-R304 WeakPolarHBondContact O-CB 3.25Å; T300-R304 VanDerWaalsContact O-CG 3.28Å; T300-R304 WeakPolarHBondContact O-CG 3.34Å; T300-R304 PolarHBondContact O-N 2.89Å
301R58.6Low51.7Low207 Ų207117 Ų11778%0.78159%0.593SS**Hα-helixtrans-72.4-26.5179-152.9175.2-167.4179.24.2112.7S299S299-R301 PolarHBondContact O-N 2.83Å; S299-R301 VanDerWaalsContact O-N 3.17Å
302R55.6Low52.6Low211 Ų211120.8 Ų120.880%0.79659%0.588SS**Hα-helixtrans-82.1-42.2171.6-62.6-173.5-179.4-147.7-0.2111.1S299 T300 R305 S306S299-R302 PolarHBondContact O-N 3.22Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.45Å; R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.97Å; R302-S306 PolarHBondContact O-N 3.36Å
303Q55.9Low53.1Low58 Ų58125.1 Ų125.127%0.27160%0.603SS.*Hα-helixtrans-58.5-50.2175.8-90.2-175.3-112.400112.9S299 T300 R305 S306 E307S299-Q303 PolarHBondContact O-N 2.79Å; T300-Q303 PolarHBondContact O-N 3.06Å; Q303-R305 PolarHBondContact O-N 2.7Å; Q303-R305 VanDerWaalsContact O-N 3.07Å; Q303-S306 WeakPolarHBondContact CA-OG 3.37Å; Q303-S306 CarbonylContact O-C 3.29Å; Q303-S306 WeakPolarHBondContact O-CA 3.4Å; Q303-S306 PolarHBondContact O-N 2.61Å; Q303-S306 PolarHBondContact O-OG 2.85Å; Q303-E307 VanDerWaalsContact C-OE2 3.3Å; Q303-E307 WeakPolarHBondContact CB-OE1 3.45Å; Q303-E307 PolarHBondContact NE2-OE1 3.44Å; Q303-E307 WeakPolarHBondContact O-CB 3.35Å; Q303-E307 VanDerWaalsContact O-CG 3.25Å; Q303-E307 WeakPolarHBondContact O-CG 3.21Å; Q303-E307 PolarHBondContact O-N 3.09Å
304R52.2Low54.4Low191 Ų191130.5 Ų130.572%0.72161%0.611SS**Hα-helixtrans-58.5-25.4177.9-73.1173-178.2-110.34.6113.4T300 E307T300-R304 WeakPolarHBondContact O-CB 3.25Å; T300-R304 VanDerWaalsContact O-CG 3.28Å; T300-R304 WeakPolarHBondContact O-CG 3.34Å; T300-R304 PolarHBondContact O-N 2.89Å; R304-E307 WeakPolarHBondContact CA-OE2 3.38Å; R304-E307 PolarHBondContact N-OE2 2.53Å
305R54.3Low55.6Low212 Ų212134.2 Ų134.280%0.861%0.61SS**Hα-helixtrans-77.5-29171.4-93.8-169.2171.6-154.7-1.2113.9R302 Q303 S311R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.97Å; Q303-R305 PolarHBondContact O-N 2.7Å; Q303-R305 VanDerWaalsContact O-N 3.07Å; R305-S311 PolarHBondContact O-OG 2.85Å
306S57.1Low57.8Low84 Ų84129.5 Ų129.559%0.58759%0.593SS**Hα-helixtrans-85.3-21172.546.50000114.1R302 Q303R302-S306 PolarHBondContact O-N 3.36Å; Q303-S306 WeakPolarHBondContact CA-OG 3.37Å; Q303-S306 CarbonylContact O-C 3.29Å; Q303-S306 WeakPolarHBondContact O-CA 3.4Å; Q303-S306 PolarHBondContact O-N 2.61Å; Q303-S306 PolarHBondContact O-OG 2.85Å
307E51.6Low59.6Low115 Ų115130 Ų13054%0.53759%0.592SS.*SBendtrans-87.4-8.1-177.1-70.6157.117600113.3Q303 R304Q303-E307 VanDerWaalsContact C-OE2 3.3Å; Q303-E307 WeakPolarHBondContact CB-OE1 3.45Å; Q303-E307 PolarHBondContact NE2-OE1 3.44Å; Q303-E307 WeakPolarHBondContact O-CB 3.35Å; Q303-E307 VanDerWaalsContact O-CG 3.25Å; Q303-E307 WeakPolarHBondContact O-CG 3.21Å; Q303-E307 PolarHBondContact O-N 3.09Å; R304-E307 WeakPolarHBondContact CA-OE2 3.38Å; R304-E307 PolarHBondContact N-OE2 2.53Å
308S56Low61.4Low51 Ų51131.6 Ų131.636%0.35759%0.59SS.*  trans-60.6130175.8176.50000111.2D310 S311S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.1Å; S308-S311 VanDerWaalsContact O-CB 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 3.41Å; S308-S311 PolarHBondContact O-OG 3.3Å
309P59Low63.3Low98 Ų98124.7 Ų124.764%0.63656%0.559SS**THydrogen-bonded Turntrans-65.4-17.9-17425.1-34.1000114.4R312P309-R312 PolarHBondContact O-NE 3.3Å; P309-R312 VanDerWaalsContact O-NE 3.08Å; P309-R312 PolarHBondContact O-NH2 3.45Å; P309-R312 VanDerWaalsContact O-NH2 3.13Å
310D57.4Low65.2Low119 Ų119128.1 Ų128.164%0.63657%0.573SS**THydrogen-bonded Turntrans-78.2-23.4173.4-178.849.3000112.9S308 R312 K313S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.1Å; D310-R312 PolarHBondContact O-N 2.89Å; D310-K313 PolarHBondContact O-N 3.12Å
311S55.6Low66.8Low57 Ų57130.4 Ų130.440%0.39958%0.578SS.*THydrogen-bonded Turntrans-63.9-2.4-179.7-61.60000115R305 S308 K313R305-S311 PolarHBondContact O-OG 2.85Å; S308-S311 VanDerWaalsContact O-CB 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 3.41Å; S308-S311 PolarHBondContact O-OG 3.3Å; S311-K313 VanDerWaalsContact C-N 3.27Å
312R56.3Low68.2Low209 Ų209128.9 Ų128.979%0.78958%0.58SS**THydrogen-bonded Turntrans-65.1-26.3164.9-77177.5-70.3173.9-0.6112.9P309 D310 R314P309-R312 PolarHBondContact O-NE 3.3Å; P309-R312 VanDerWaalsContact O-NE 3.08Å; P309-R312 PolarHBondContact O-NH2 3.45Å; P309-R312 VanDerWaalsContact O-NH2 3.13Å; D310-R312 PolarHBondContact O-N 2.89Å; R312-R314 PolarHBondContact O-N 3.26Å
313K58.6Low69.8Low184 Ų184122.2 Ų122.280%0.858%0.577SS**SBendtrans-78.663172.2-154169.3-170.1174.30110.4D310 S311 R315D310-K313 PolarHBondContact O-N 3.12Å; S311-K313 VanDerWaalsContact C-N 3.27Å; K313-R315 PolarHBondContact O-N 3.03Å; K313-R315 VanDerWaalsContact O-N 3.09Å
314R65.2Low71.4Confident190 Ų190120.1 Ų120.172%0.71757%0.568SS**  trans-46.1117.7177.7-79.8-173.9168.9-169.5-1.7109.3R312 I316R312-R314 PolarHBondContact O-N 3.26Å; R314-I316 PolarHBondContact O-N 2.79Å
315R73.8Confident73.2Confident198 Ų198118.4 Ų118.475%0.74757%0.573SS**  trans-66.6105.1178.5-172.2174.9-73.5-149.2-0.9109K313 H317K313-R315 PolarHBondContact O-N 3.03Å; K313-R315 VanDerWaalsContact O-N 3.09Å; R315-H317 PolarHBondContact O-CD2 2.96Å
316I86.7Confident74.9Confident104 Ų104113.6 Ų113.653%0.53356%0.558SS.*  trans-78.8130.9176.6-67178.5000108.5R314 R318 V327R314-I316 PolarHBondContact O-N 2.79Å; I316-R318 HydrophobicContact CG2-CG 4.32Å; I316-V327 HydrophobicContact CG2-CG1 3.25Å
317H87.8Confident76.6Confident40 Ų40113.1 Ų113.119%0.18555%0.552CS.*EExtended strand (participates in β ladder)trans-112.9102.1-178.7-70.7-78.4000108.9R315 Y328 S331 L334R315-H317 PolarHBondContact O-CD2 2.96Å; H317-Y328 PolarHBondContact N-O 3.23Å; H317-Y328 PolarHBondContact O-N 2.84Å; H317-S331 PolarHBondContact CD2-N 2.88Å; H317-S331 VanDerWaalsContact CD2-N 3.34Å; H317-S331 PolarHBondContact NE2-N 2.99Å; H317-L334 HydrophobicContact CB-CB 3.97Å; H317-L334 HydrophobicContact CB-CD2 3.84Å; H317-L334 HydrophobicContact CB-CG 4.49Å
318R91.1Very high78.4Confident166 Ų166110.3 Ų110.363%0.62654%0.537SS*.EExtended strand (participates in β ladder)trans-84.2161.1176.8-58.8-176.6-177.3-922.2110.2I316 V327 L334I316-R318 HydrophobicContact CG2-CG 4.32Å; R318-V327 HydrophobicContact CG-CG2 4.33Å; R318-L334 VanDerWaalsContact O-CD1 3.23Å; R318-L334 WeakPolarHBondContact O-CD1 3.48Å; R318-L334 WeakPolarHBondContact O-CD2 3.49Å
319C91.9Very high79.9Confident15 Ų15112.2 Ų112.210%0.10155%0.547CS..  trans-85.3133.8168.3-162.90000111F321 C324 K326 L334 H337 H341C319-F321 VanDerWaalsContact C-N 3.25Å; C319-F321 PolarHBondContact O-N 2.79Å; C319-C324 HydrophobicContact CB-CB 4.23Å; C319-K326 PolarHBondContact N-O 3.42Å; C319-L334 HydrophobicContact CB-CD1 4.2Å; C319-H337 PolarHBondContact SG-NE2 3.3Å; C319-H337 VanDerWaalsContact SG-NE2 3.44Å; C319-H341 VanDerWaalsContact SG-CD2 3.57Å; C319-H341 PolarHBondContact SG-NE2 2.89Å
320D90.3Very high81.2Confident120 Ų120113.1 Ų113.164%0.64254%0.54SS*.  trans-9227-178.6-30.2-66.6000111.9R338D320-R338 IonicContact OD2-NH1 3.56Å
321F88.2Confident82.7Confident109 Ų109111 Ų11148%0.47854%0.535SS..SBendtrans-113.2131.8-175.8-173.4-85.9000109.6C319 G323 C324 H341C319-F321 VanDerWaalsContact C-N 3.25Å; C319-F321 PolarHBondContact O-N 2.79Å; F321-G323 PolarHBondContact O-N 3.12Å; F321-C324 HydrophobicContact CB-CB 4.15Å; F321-C324 HydrophobicContact CD1-CB 4.24Å; F321-C324 WeakPolarHBondContact O-CA 3.2Å; F321-C324 VanDerWaalsContact O-CB 3.22Å; F321-C324 WeakPolarHBondContact O-CB 3.28Å; F321-C324 PolarHBondContact O-N 3.4Å; F321-H341 AromaticContact CD1-CE1 3.86Å; F321-H341 AromaticContact CD1-CG 3.95Å; F321-H341 AromaticContact CD1-ND1 3.61Å; F321-H341 HydrophobicContact CD2-CB 3.77Å; F321-H341 AromaticContact CD2-CG 3.87Å; F321-H341 AromaticContact CE1-ND1 3.87Å; F321-H341 HydrophobicContact CE2-CB 3.92Å; F321-H341 HydrophobicContact CG-CB 4.13Å; F321-H341 AromaticContact CG-CD2 3.77Å; F321-H341 AromaticContact CG-CG 3.69Å; F321-H341 AromaticContact CG-ND1 3.87Å; F321-H341 HydrophobicContact CZ-CB 4.41Å
322E87.9Confident84.2Confident176 Ų176111.6 Ų111.682%0.82254%0.539SS*.THydrogen-bonded Turntrans-55.1134.4-174.4-71.8-54.7141.600113.1C324E322-C324 PolarHBondContact O-N 3.49Å
323G89Confident85.7Confident71 Ų71105.9 Ų105.973%0.73252%0.521SS*.THydrogen-bonded Turntrans71.4-4.8-172.300000116F321 N325F321-G323 PolarHBondContact O-N 3.12Å; G323-N325 PolarHBondContact O-N 2.92Å
324C89.3Confident87.2Confident13 Ų1398.1 Ų98.19%0.08849%0.488CS..  trans-95.382-175.2-158.30000114.5C319 F321 E322 K326 H337 H341C319-C324 HydrophobicContact CB-CB 4.23Å; F321-C324 HydrophobicContact CB-CB 4.15Å; F321-C324 HydrophobicContact CD1-CB 4.24Å; F321-C324 WeakPolarHBondContact O-CA 3.2Å; F321-C324 VanDerWaalsContact O-CB 3.22Å; F321-C324 WeakPolarHBondContact O-CB 3.28Å; F321-C324 PolarHBondContact O-N 3.4Å; E322-C324 PolarHBondContact O-N 3.49Å; C324-K326 PolarHBondContact O-N 2.87Å; C324-H337 PolarHBondContact SG-NE2 3.46Å; C324-H341 WeakPolarHBondContact CB-CE1 3.14Å; C324-H341 WeakPolarHBondContact CB-NE2 3.47Å; C324-H341 PolarHBondContact SG-CE1 3.05Å; C324-H341 PolarHBondContact SG-NE2 3.38Å
325N89.5Confident88.3Confident155 Ų15595.9 Ų95.983%0.82948%0.484SS*.  trans-69.426.3177.6-68-55.9000115.7G323G323-N325 PolarHBondContact O-N 2.92Å
326K91.4Very high89Confident111 Ų11187.3 Ų87.348%0.48346%0.456SS..  trans-84.9141.9-178.6-65-169.8-165.7-67.80112.1C319 C324 Y328C319-K326 PolarHBondContact N-O 3.42Å; C324-K326 PolarHBondContact O-N 2.87Å; K326-Y328 HydrophobicContact CB-CE2 3.75Å; K326-Y328 WeakPolarHBondContact CD-OH 3.38Å
327V91.5Very high89Confident75 Ų7582.9 Ų82.946%0.45543%0.433SS..EExtended strand (participates in β ladder)trans-137.6134-168.4-175.50000110.6I316 R318I316-V327 HydrophobicContact CG2-CG1 3.25Å; R318-V327 HydrophobicContact CG-CG2 4.33Å
328Y89.8Confident89.1Confident55 Ų5587.4 Ų87.422%0.21645%0.448CS..EExtended strand (participates in β ladder)trans-129.5147.6-170.6-62-86.3000112.5H317 K326 H333 L334 H337H317-Y328 PolarHBondContact N-O 3.23Å; H317-Y328 PolarHBondContact O-N 2.84Å; K326-Y328 HydrophobicContact CB-CE2 3.75Å; K326-Y328 WeakPolarHBondContact CD-OH 3.38Å; Y328-H333 HydrophobicContact CD1-CB 3.59Å; Y328-H333 HydrophobicContact CE1-CB 4.35Å; Y328-H333 HydrophobicContact CG-CB 4.16Å; Y328-L334 HydrophobicContact CD2-CB 4.25Å; Y328-L334 HydrophobicContact CD2-CD1 4.18Å; Y328-L334 HydrophobicContact CG-CB 4.48Å; Y328-H337 HydrophobicContact CE1-CB 4.33Å; Y328-H337 HydrophobicContact CE2-CB 3.85Å; Y328-H337 AromaticContact CE2-CD2 3.35Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.48Å; Y328-H337 AromaticContact CE2-CG 3.76Å; Y328-H337 AromaticContact CZ-CD2 3.75Å; Y328-H337 AromaticContact CZ-CG 3.69Å; Y328-H337 WeakPolarHBondContact OH-CB 3.35Å; Y328-H337 PolarHBondContact OH-CD2 2.85Å
329T88.8Confident89Confident92 Ų9281.5 Ų81.556%0.56443%0.426SS*.SBendtrans-91.5-2.1176.651.30000113.8
330K86.4Confident88.8Confident116 Ų11685.2 Ų85.250%0.50445%0.448SS..SBendtrans-140.8134.5-179.8-64.6-179.2-176.1174.70110.2S332 H333 L334K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.34Å; K330-H333 HydrophobicContact CB-CB 4.41Å; K330-H333 PolarHBondContact O-N 3.42Å; K330-H333 VanDerWaalsContact O-N 3.12Å; K330-L334 PolarHBondContact O-N 2.91Å
331S88.4Confident88.7Confident74 Ų7482.7 Ų82.752%0.51743%0.432SS..Hα-helixtrans-57.6-36.4175.753.70000113.1H317 H333 L334 K335H317-S331 PolarHBondContact CD2-N 2.88Å; H317-S331 VanDerWaalsContact CD2-N 3.34Å; H317-S331 PolarHBondContact NE2-N 2.99Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 2.86Å; S331-L334 PolarHBondContact O-N 2.79Å; S331-K335 PolarHBondContact O-N 3.22Å
332S86.7Confident88.6Confident71 Ų7181.1 Ų81.150%0.49743%0.432SS..Hα-helixtrans-63.1-36.8176.5540000112.8K330 K335 A336K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.34Å; S332-K335 PolarHBondContact O-N 2.86Å; S332-A336 VanDerWaalsContact O-CB 3.28Å; S332-A336 WeakPolarHBondContact O-CB 3.08Å; S332-A336 PolarHBondContact O-N 2.79Å
333H88.2Confident88.5Confident89 Ų8975.2 Ų75.241%0.41242%0.418SS..Hα-helixtrans-71-36176.6-66.8-155.3000111Y328 K330 S331 H337Y328-H333 HydrophobicContact CD1-CB 3.59Å; Y328-H333 HydrophobicContact CE1-CB 4.35Å; Y328-H333 HydrophobicContact CG-CB 4.16Å; K330-H333 HydrophobicContact CB-CB 4.41Å; K330-H333 PolarHBondContact O-N 3.42Å; K330-H333 VanDerWaalsContact O-N 3.12Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 2.86Å; H333-H337 WeakPolarHBondContact O-CB 3.22Å; H333-H337 PolarHBondContact O-N 2.72Å
334L90Very high88.4Confident20 Ų2076.4 Ų76.411%0.10541%0.405CS..Hα-helixtrans-65.9-46.4171.2174.563.1000112H317 R318 C319 Y328 K330 S331 A336 H337 R338H317-L334 HydrophobicContact CB-CB 3.97Å; H317-L334 HydrophobicContact CB-CD2 3.84Å; H317-L334 HydrophobicContact CB-CG 4.49Å; R318-L334 VanDerWaalsContact O-CD1 3.23Å; R318-L334 WeakPolarHBondContact O-CD1 3.48Å; R318-L334 WeakPolarHBondContact O-CD2 3.49Å; C319-L334 HydrophobicContact CB-CD1 4.2Å; Y328-L334 HydrophobicContact CD2-CB 4.25Å; Y328-L334 HydrophobicContact CD2-CD1 4.18Å; Y328-L334 HydrophobicContact CG-CB 4.48Å; K330-L334 PolarHBondContact O-N 2.91Å; S331-L334 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 2.87Å; L334-H337 PolarHBondContact O-N 2.71Å; L334-H337 VanDerWaalsContact O-N 3.09Å; L334-R338 HydrophobicContact CD1-CG 4.14Å; L334-R338 PolarHBondContact O-N 3.47Å
335K88Confident88.3Confident143 Ų14379.1 Ų79.162%0.62242%0.415SS*.Hα-helixtrans-59.4-41177.5-170.7177.8179.8179.60111S331 S332S331-K335 PolarHBondContact O-N 3.22Å; S332-K335 PolarHBondContact O-N 2.86Å
336A87.3Confident88.2Confident19 Ų1974 Ų7416%0.15739%0.39CS..Hα-helixtrans-64.8-40.2173.200000112.9S332 L334 R339 R360S332-A336 VanDerWaalsContact O-CB 3.28Å; S332-A336 WeakPolarHBondContact O-CB 3.08Å; S332-A336 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 2.87Å; A336-R339 WeakPolarHBondContact O-CB 3.47Å; A336-R360 HydrophobicContact CB-CG 3.94Å
337H88.7Confident88Confident11 Ų1171.8 Ų71.85%0.05138%0.379CS..Hα-helixtrans-67.4-40.8175.7169.937.4000112.8C319 C324 Y328 H333 L334 R339 T340 H341C319-H337 PolarHBondContact SG-NE2 3.3Å; C319-H337 VanDerWaalsContact SG-NE2 3.44Å; C324-H337 PolarHBondContact SG-NE2 3.46Å; Y328-H337 HydrophobicContact CE1-CB 4.33Å; Y328-H337 HydrophobicContact CE2-CB 3.85Å; Y328-H337 AromaticContact CE2-CD2 3.35Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.48Å; Y328-H337 AromaticContact CE2-CG 3.76Å; Y328-H337 AromaticContact CZ-CD2 3.75Å; Y328-H337 AromaticContact CZ-CG 3.69Å; Y328-H337 WeakPolarHBondContact OH-CB 3.35Å; Y328-H337 PolarHBondContact OH-CD2 2.85Å; H333-H337 WeakPolarHBondContact O-CB 3.22Å; H333-H337 PolarHBondContact O-N 2.72Å; L334-H337 PolarHBondContact O-N 2.71Å; L334-H337 VanDerWaalsContact O-N 3.09Å; H337-R339 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact CE1-OG1 3Å; H337-T340 PolarHBondContact ND1-OG1 3.34Å; H337-T340 WeakPolarHBondContact O-CB 3.24Å; H337-T340 PolarHBondContact O-N 2.78Å; H337-T340 PolarHBondContact O-OG1 2.87Å; H337-H341 AromaticContact CD2-NE2 3.65Å; H337-H341 AromaticContact CE1-CD2 3.84Å; H337-H341 AromaticContact CE1-CE1 4Å; H337-H341 AromaticContact CE1-NE2 2.85Å; H337-H341 PolarHBondContact CE1-NE2 3.49Å; H337-H341 AromaticContact ND1-NE2 3.99Å; H337-H341 AromaticContact NE2-CD2 3.98Å; H337-H341 AromaticContact NE2-NE2 2.53Å; H337-H341 PolarHBondContact NE2-NE2 2.65Å
338R88.6Confident87.9Confident135 Ų13574.8 Ų74.851%0.50939%0.386SS..Hα-helixtrans-56.4-27.8-179.6-79.1-176.456.3175.9-7.8113.1D320 L334 T340 H341 T342D320-R338 IonicContact OD2-NH1 3.56Å; L334-R338 HydrophobicContact CD1-CG 4.14Å; L334-R338 PolarHBondContact O-N 3.47Å; R338-T340 VanDerWaalsContact C-N 3.26Å; R338-T340 PolarHBondContact O-N 2.74Å; R338-H341 WeakPolarHBondContact O-CB 3.44Å; R338-H341 PolarHBondContact O-N 3.22Å; R338-T342 PolarHBondContact O-N 2.85Å
339R88.4Confident87.9Confident42 Ų4272.7 Ų72.716%0.15838%0.379CS..Hα-helixtrans-63.3-23.8171.3-63.6-174.9172.4149.4-1.1114.7A336 H337 H341 G343 E344 A359A336-R339 WeakPolarHBondContact O-CB 3.47Å; H337-R339 PolarHBondContact O-N 3.46Å; R339-H341 PolarHBondContact O-N 3.07Å; R339-G343 CarbonylContact O-C 3.25Å; R339-G343 WeakPolarHBondContact O-CA 3.25Å; R339-G343 PolarHBondContact O-N 3.43Å; R339-E344 HydrophobicContact CB-CB 4Å; R339-E344 HydrophobicContact CG-CB 3.83Å; R339-E344 IonicContact NE-OE2 2.7Å; R339-E344 PolarHBondContact O-N 2.88Å; R339-A359 HydrophobicContact CB-CB 4.15Å; R339-A359 WeakPolarHBondContact CD-O 3.46Å; R339-A359 PolarHBondContact NH1-O 2.9Å
340T87.9Confident87.9Confident92 Ų9271.9 Ų71.956%0.56437%0.374SS*.Hα-helixtrans-72.9-14.5173.373.20000112.7H337 R338H337-T340 PolarHBondContact CE1-OG1 3Å; H337-T340 PolarHBondContact ND1-OG1 3.34Å; H337-T340 WeakPolarHBondContact O-CB 3.24Å; H337-T340 PolarHBondContact O-N 2.78Å; H337-T340 PolarHBondContact O-OG1 2.87Å; R338-T340 VanDerWaalsContact C-N 3.26Å; R338-T340 PolarHBondContact O-N 2.74Å
341H88.6Confident87.9Confident67 Ų6771.7 Ų71.731%0.3137%0.371SS..Hα-helixtrans-94.8-40.8172.4-60.8-54.9000112C319 F321 C324 H337 R338 R339 G343C319-H341 VanDerWaalsContact SG-CD2 3.57Å; C319-H341 PolarHBondContact SG-NE2 2.89Å; F321-H341 AromaticContact CD1-CE1 3.86Å; F321-H341 AromaticContact CD1-CG 3.95Å; F321-H341 AromaticContact CD1-ND1 3.61Å; F321-H341 HydrophobicContact CD2-CB 3.77Å; F321-H341 AromaticContact CD2-CG 3.87Å; F321-H341 AromaticContact CE1-ND1 3.87Å; F321-H341 HydrophobicContact CE2-CB 3.92Å; F321-H341 HydrophobicContact CG-CB 4.13Å; F321-H341 AromaticContact CG-CD2 3.77Å; F321-H341 AromaticContact CG-CG 3.69Å; F321-H341 AromaticContact CG-ND1 3.87Å; F321-H341 HydrophobicContact CZ-CB 4.41Å; C324-H341 WeakPolarHBondContact CB-CE1 3.14Å; C324-H341 WeakPolarHBondContact CB-NE2 3.47Å; C324-H341 PolarHBondContact SG-CE1 3.05Å; C324-H341 PolarHBondContact SG-NE2 3.38Å; H337-H341 AromaticContact CD2-NE2 3.65Å; H337-H341 AromaticContact CE1-CD2 3.84Å; H337-H341 AromaticContact CE1-CE1 4Å; H337-H341 AromaticContact CE1-NE2 2.85Å; H337-H341 PolarHBondContact CE1-NE2 3.49Å; H337-H341 AromaticContact ND1-NE2 3.99Å; H337-H341 AromaticContact NE2-CD2 3.98Å; H337-H341 AromaticContact NE2-NE2 2.53Å; H337-H341 PolarHBondContact NE2-NE2 2.65Å; R338-H341 WeakPolarHBondContact O-CB 3.44Å; R338-H341 PolarHBondContact O-N 3.22Å; R339-H341 PolarHBondContact O-N 3.07Å; H341-G343 VanDerWaalsContact C-N 3.35Å
342T87.1Confident87.7Confident76 Ų7676.5 Ų76.547%0.46639%0.385SS..Hα-helixtrans-79.7-14.3177.360.80000113.9R338 E344R338-T342 PolarHBondContact O-N 2.85Å; T342-E344 WeakPolarHBondContact CB-OE1 3.45Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 VanDerWaalsContact OG1-CD 3.26Å; T342-E344 WeakPolarHBondContact OG1-CG 3.42Å; T342-E344 PolarHBondContact OG1-OE1 2.83Å
343G85.6Confident87.6Confident52 Ų5276.9 Ų76.954%0.53640%0.399SS..  trans77.90.7-175.700000114.6R339 H341 K345R339-G343 CarbonylContact O-C 3.25Å; R339-G343 WeakPolarHBondContact O-CA 3.25Å; R339-G343 PolarHBondContact O-N 3.43Å; H341-G343 VanDerWaalsContact C-N 3.35Å; G343-K345 PolarHBondContact O-N 2.75Å
344E86.4Confident87.5Confident97 Ų9773.6 Ų73.645%0.45339%0.386SS..  trans-55.7119.8-178.6-82.2166.6-117.300113.2R339 T342 P346R339-E344 HydrophobicContact CB-CB 4Å; R339-E344 HydrophobicContact CG-CB 3.83Å; R339-E344 IonicContact NE-OE2 2.7Å; R339-E344 PolarHBondContact O-N 2.88Å; T342-E344 WeakPolarHBondContact CB-OE1 3.45Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 VanDerWaalsContact OG1-CD 3.26Å; T342-E344 WeakPolarHBondContact OG1-CG 3.42Å; T342-E344 PolarHBondContact OG1-OE1 2.83Å; E344-P346 WeakPolarHBondContact O-CD 3.36Å
345K87.7Confident87.4Confident70 Ų7077.6 Ų77.630%0.30441%0.412SS..  trans-123.973.4176.3-73.4151.1154.2-93.50110.9Q235 G343 Y347 K357 F358Q235-K345 WeakPolarHBondContact O-CE 3.35Å; Q235-K345 PolarHBondContact O-NZ 3.22Å; G343-K345 PolarHBondContact O-N 2.75Å; K345-Y347 VanDerWaalsContact C-N 3.3Å; K345-Y347 PolarHBondContact O-N 3.1Å; K345-K357 HydrophobicContact CB-CB 3.66Å; K345-K357 HydrophobicContact CD-CB 4.45Å; K345-K357 HydrophobicContact CG-CB 4.44Å; K345-K357 PolarHBondContact NZ-O 3.38Å; K345-F358 CarbonylContact C-O 3.54Å; K345-F358 VanDerWaalsContact C-O 3.29Å; K345-F358 WeakPolarHBondContact CA-O 3.31Å
346P87.4Confident87.3Confident47 Ų4775.9 Ų75.931%0.30540%0.401SS..  trans-72.1-21.3-174.828.6-34.5000113.7E344 K348E344-P346 WeakPolarHBondContact O-CD 3.36Å; P346-K348 PolarHBondContact O-N 2.98Å
347Y86.9Confident87.4Confident64 Ų6480.6 Ų80.625%0.25142%0.418SS..EExtended strand (participates in β ladder)trans-91.295.3-178.1-55.6-72.7000110.1K345 K357 F358 A359 R360K345-Y347 VanDerWaalsContact C-N 3.3Å; K345-Y347 PolarHBondContact O-N 3.1Å; Y347-K357 CarbonylContact O-C 3.53Å; Y347-K357 WeakPolarHBondContact O-CA 3.49Å; Y347-F358 PolarHBondContact N-O 2.92Å; Y347-F358 PolarHBondContact O-N 2.22Å; Y347-A359 WeakPolarHBondContact CE2-O 3.26Å; Y347-R360 VanDerWaalsContact CE2-C 3.47Å
348K89.6Confident87.3Confident139 Ų13980.9 Ų80.960%0.60442%0.42SS*.EExtended strand (participates in β ladder)trans-81.5145.9173.361.7179.9-180175.70111.4P346 T350 K357 L364P346-K348 PolarHBondContact O-N 2.98Å; K348-T350 HydrophobicContact CG-CG2 4.46Å; K348-K357 HydrophobicContact CB-CG 4.25Å; K348-L364 WeakPolarHBondContact O-CD2 3.48Å
349C90.1Very high87.2Confident10 Ų1075.1 Ų75.17%0.06840%0.401CS..  trans-65.6151.9158.5-160.40000109.9C354 W356 L364 H371C349-C354 HydrophobicContact CB-CB 4.15Å; C349-W356 PolarHBondContact N-O 3.09Å; C349-L364 HydrophobicContact CB-CD1 4.26Å; C349-H371 PolarHBondContact SG-NE2 3.19Å
350T88.4Confident87Confident76 Ų7677.2 Ų77.247%0.46641%0.409SS..  trans-126.222.8176.661.10000111.2K348K348-T350 HydrophobicContact CG-CG2 4.46Å
351W85.2Confident86.9Confident112 Ų11275.2 Ų75.242%0.42440%0.398SS..SBendtrans-90.8139.2173.5-168.5-85.4000109.4G353 C354 Y368 H371 T372W351-G353 PolarHBondContact O-N 3.39Å; W351-C354 HydrophobicContact CB-CB 4.1Å; W351-C354 VanDerWaalsContact O-CB 3.31Å; W351-C354 WeakPolarHBondContact O-CB 3.48Å; W351-C354 PolarHBondContact O-N 3.43Å; W351-Y368 HydrophobicContact CE3-CE2 4.38Å; W351-H371 AromaticContact CD1-CG 3.94Å; W351-H371 AromaticContact CD1-ND1 3.71Å; W351-H371 HydrophobicContact CD2-CB 3.57Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.71Å; W351-H371 HydrophobicContact CG-CB 3.99Å; W351-H371 AromaticContact CG-CD2 3.83Å; W351-H371 AromaticContact CG-CG 3.62Å; W351-H371 AromaticContact CG-ND1 3.85Å; W351-H371 HydrophobicContact CH2-CB 4.3Å; W351-H371 HydrophobicContact CZ2-CB 4.19Å; W351-H371 HydrophobicContact CZ3-CB 4.08Å; W351-T372 HydrophobicContact CZ3-CG2 4.38Å
352E84.3Confident86.7Confident175 Ų17576.1 Ų76.182%0.81841%0.405SS*.THydrogen-bonded Turntrans-58.4134-175.4-66.8-52.6138.400112.4C354E352-C354 PolarHBondContact O-N 3.17Å
353G84.5Confident86.7Confident78 Ų7874 Ų7480%0.80439%0.391SS*.THydrogen-bonded Turntrans72.7-7.3-172.200000115.9W351W351-G353 PolarHBondContact O-N 3.39Å
354C87.3Confident86.8Confident20 Ų2072.1 Ų72.114%0.13537%0.368CS..  trans-92.8108.1-177.9-163.80000113.5C349 W351 E352 H367 H371C349-C354 HydrophobicContact CB-CB 4.15Å; W351-C354 HydrophobicContact CB-CB 4.1Å; W351-C354 VanDerWaalsContact O-CB 3.31Å; W351-C354 WeakPolarHBondContact O-CB 3.48Å; W351-C354 PolarHBondContact O-N 3.43Å; E352-C354 PolarHBondContact O-N 3.17Å; C354-H367 VanDerWaalsContact SG-CE1 3.57Å; C354-H367 PolarHBondContact SG-NE2 3.16Å; C354-H371 WeakPolarHBondContact CB-CE1 3.44Å; C354-H371 VanDerWaalsContact CB-NE2 3.35Å; C354-H371 WeakPolarHBondContact CB-NE2 3.22Å; C354-H371 PolarHBondContact SG-CE1 3.17Å; C354-H371 PolarHBondContact SG-NE2 3.37Å
355T87.8Confident86.9Confident104 Ų10468.7 Ų68.764%0.63835%0.354SS*.  trans-88.61.4-177.756.20000114.9
356W86.1Confident86.8Confident107 Ų10768.9 Ų68.941%0.40535%0.352SS..  trans-72.1139.9-168.8-73.628.1000112.5C349 F358 H367C349-W356 PolarHBondContact N-O 3.09Å; W356-F358 HydrophobicContact CB-CE2 3.98Å; W356-F358 HydrophobicContact CB-CZ 3.82Å; W356-F358 HydrophobicContact CE3-CE1 4.23Å; W356-F358 AromaticContact CE3-CZ 3.93Å; W356-F358 HydrophobicContact CE3-CZ 3.93Å; W356-H367 AromaticContact CD2-CE1 3.89Å; W356-H367 AromaticContact CE3-CE1 3.68Å; W356-H367 AromaticContact CE3-ND1 3.58Å
357K89.6Confident86.8Confident118 Ų11867 Ų6751%0.51334%0.339SS..EExtended strand (participates in β ladder)trans-133.2139.8-178.8-50.2179.8-174.9174.50110.9K345 Y347 K348K345-K357 HydrophobicContact CB-CB 3.66Å; K345-K357 HydrophobicContact CD-CB 4.45Å; K345-K357 HydrophobicContact CG-CB 4.44Å; K345-K357 PolarHBondContact NZ-O 3.38Å; Y347-K357 CarbonylContact O-C 3.53Å; Y347-K357 WeakPolarHBondContact O-CA 3.49Å; K348-K357 HydrophobicContact CB-CG 4.25Å
358F86.1Confident86.8Confident18 Ų1867 Ų678%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-124.2154.1-169.4-54.5-85.9000112.5K345 Y347 W356 E363 L364 H367K345-F358 CarbonylContact C-O 3.54Å; K345-F358 VanDerWaalsContact C-O 3.29Å; K345-F358 WeakPolarHBondContact CA-O 3.31Å; Y347-F358 PolarHBondContact N-O 2.92Å; Y347-F358 PolarHBondContact O-N 2.22Å; W356-F358 HydrophobicContact CB-CE2 3.98Å; W356-F358 HydrophobicContact CB-CZ 3.82Å; W356-F358 HydrophobicContact CE3-CE1 4.23Å; W356-F358 AromaticContact CE3-CZ 3.93Å; W356-F358 HydrophobicContact CE3-CZ 3.93Å; F358-E363 HydrophobicContact CB-CB 3.81Å; F358-E363 HydrophobicContact CD1-CB 3.68Å; F358-E363 HydrophobicContact CG-CB 3.95Å; F358-L364 HydrophobicContact CB-CB 4.48Å; F358-L364 HydrophobicContact CD2-CB 3.81Å; F358-L364 HydrophobicContact CD2-CD1 3.91Å; F358-L364 HydrophobicContact CD2-CG 4.45Å; F358-L364 HydrophobicContact CE2-CB 4.48Å; F358-L364 HydrophobicContact CE2-CD1 3.93Å; F358-L364 HydrophobicContact CG-CB 4.33Å; F358-H367 HydrophobicContact CE1-CB 4Å; F358-H367 HydrophobicContact CE2-CB 3.9Å; F358-H367 AromaticContact CE2-CD2 3.59Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.4Å; F358-H367 AromaticContact CZ-CD2 3.61Å; F358-H367 AromaticContact CZ-CG 3.26Å; F358-H367 AromaticContact CZ-ND1 3.61Å
359A86.1Confident86.7Confident14 Ų1461.5 Ų61.512%0.11632%0.315CS..SBendtrans-83.1-24179.800000111.9R339 Y347 E363R339-A359 HydrophobicContact CB-CB 4.15Å; R339-A359 WeakPolarHBondContact CD-O 3.46Å; R339-A359 PolarHBondContact NH1-O 2.9Å; Y347-A359 WeakPolarHBondContact CE2-O 3.26Å; A359-E363 PolarHBondContact N-OE2 2.63Å; A359-E363 VanDerWaalsContact N-OE2 3.07Å
360R83.6Confident86.5Confident86 Ų8665.9 Ų65.933%0.32533%0.333SS..SBendtrans-130151.6-176.4-48.4-176-69118.13.9111.4A336 Y347 D362 E363 L364A336-R360 HydrophobicContact CB-CG 3.94Å; Y347-R360 VanDerWaalsContact CE2-C 3.47Å; R360-D362 VanDerWaalsContact CB-OD1 3.22Å; R360-D362 WeakPolarHBondContact CB-OD1 3.37Å; R360-D362 IonicContact CZ-OD1 2.7Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 IonicContact NH1-OD1 3.96Å; R360-D362 PolarHBondContact NH1-OD1 2.89Å; R360-D362 IonicContact NH1-OD2 3.52Å; R360-D362 PolarHBondContact NH1-OD2 2.95Å; R360-D362 IonicContact NH2-OD2 2.99Å; R360-D362 PolarHBondContact NH2-OD2 3.1Å; R360-E363 HydrophobicContact CB-CG 4.05Å; R360-E363 IonicContact CZ-OE1 3.71Å; R360-E363 PolarHBondContact N-OE2 2.66Å; R360-E363 IonicContact NE-OE1 3.64Å; R360-E363 PolarHBondContact NE-OE1 3.01Å; R360-E363 VanDerWaalsContact NH2-CG 3.27Å; R360-E363 IonicContact NH2-OE1 3.56Å; R360-E363 PolarHBondContact NH2-OE1 3.21Å; R360-E363 WeakPolarHBondContact O-CB 3.37Å; R360-E363 PolarHBondContact O-N 3.29Å; R360-L364 PolarHBondContact O-N 2.7Å
361S87.1Confident86.4Confident49 Ų4965.2 Ų65.234%0.34332%0.324SS..Hα-helixtrans-71.5-32.9-178.347.30000112.8E363 L364 T365S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.49Å; S361-L364 PolarHBondContact O-N 2.73Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 PolarHBondContact O-OG1 3.18Å; S361-T365 VanDerWaalsContact O-OG1 3.05Å
362D83.5Confident86.4Confident86 Ų8662.8 Ų62.846%0.4632%0.322SS..Hα-helixtrans-66.2-28.9177.264.1-67.7000112.8R360 R366R360-D362 VanDerWaalsContact CB-OD1 3.22Å; R360-D362 WeakPolarHBondContact CB-OD1 3.37Å; R360-D362 IonicContact CZ-OD1 2.7Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 IonicContact NH1-OD1 3.96Å; R360-D362 PolarHBondContact NH1-OD1 2.89Å; R360-D362 IonicContact NH1-OD2 3.52Å; R360-D362 PolarHBondContact NH1-OD2 2.95Å; R360-D362 IonicContact NH2-OD2 2.99Å; R360-D362 PolarHBondContact NH2-OD2 3.1Å; D362-R366 VanDerWaalsContact O-CB 3.32Å; D362-R366 WeakPolarHBondContact O-CB 3.32Å; D362-R366 PolarHBondContact O-N 2.98Å
363E87Confident86.4Confident33 Ų3357 Ų5715%0.15431%0.309CS..Hα-helixtrans-67.2-47.8171.5-61.7167.8164.600110.9F358 A359 R360 S361 T365 R366 H367F358-E363 HydrophobicContact CB-CB 3.81Å; F358-E363 HydrophobicContact CD1-CB 3.68Å; F358-E363 HydrophobicContact CG-CB 3.95Å; A359-E363 PolarHBondContact N-OE2 2.63Å; A359-E363 VanDerWaalsContact N-OE2 3.07Å; R360-E363 HydrophobicContact CB-CG 4.05Å; R360-E363 IonicContact CZ-OE1 3.71Å; R360-E363 PolarHBondContact N-OE2 2.66Å; R360-E363 IonicContact NE-OE1 3.64Å; R360-E363 PolarHBondContact NE-OE1 3.01Å; R360-E363 VanDerWaalsContact NH2-CG 3.27Å; R360-E363 IonicContact NH2-OE1 3.56Å; R360-E363 PolarHBondContact NH2-OE1 3.21Å; R360-E363 WeakPolarHBondContact O-CB 3.37Å; R360-E363 PolarHBondContact O-N 3.29Å; S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.49Å; E363-T365 PolarHBondContact O-N 2.76Å; E363-R366 PolarHBondContact O-N 3.27Å; E363-H367 WeakPolarHBondContact O-CB 3.27Å; E363-H367 PolarHBondContact O-N 3.03Å
364L89.3Confident86.4Confident11 Ų1156.7 Ų56.76%0.05829%0.292CS..Hα-helixtrans-61.6-43.9175.2173.959.8000111.5V212 K348 C349 F358 R360 S361 R366 H367 Y368V212-L364 HydrophobicContact CG1-CD2 4.05Å; V212-L364 HydrophobicContact CG1-CG 4.49Å; K348-L364 WeakPolarHBondContact O-CD2 3.48Å; C349-L364 HydrophobicContact CB-CD1 4.26Å; F358-L364 HydrophobicContact CB-CB 4.48Å; F358-L364 HydrophobicContact CD2-CB 3.81Å; F358-L364 HydrophobicContact CD2-CD1 3.91Å; F358-L364 HydrophobicContact CD2-CG 4.45Å; F358-L364 HydrophobicContact CE2-CB 4.48Å; F358-L364 HydrophobicContact CE2-CD1 3.93Å; F358-L364 HydrophobicContact CG-CB 4.33Å; R360-L364 PolarHBondContact O-N 2.7Å; S361-L364 PolarHBondContact O-N 2.73Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.37Å; L364-H367 PolarHBondContact O-N 3.13Å; L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.46Å
365T87.1Confident86.5Confident26 Ų2659.3 Ų59.316%0.1630%0.301CS..Hα-helixtrans-63-38177.3-600000112.3I210 S361 E363I210-T365 HydrophobicContact CB-CG2 4.02Å; I210-T365 HydrophobicContact CD1-CG2 3.93Å; I210-T365 HydrophobicContact CG1-CG2 4.38Å; I210-T365 HydrophobicContact CG2-CG2 4.35Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 PolarHBondContact O-OG1 3.18Å; S361-T365 VanDerWaalsContact O-OG1 3.05Å; E363-T365 PolarHBondContact O-N 2.76Å
366R85.9Confident86.4Confident73 Ų7357.2 Ų57.228%0.27529%0.289SS..Hα-helixtrans-64.5-49.5172.9-179.4171.578.6179.64.1111D239 D362 E363 L364 Y368 R369 R388D239-R366 IonicContact OD2-CZ 3.66Å; D239-R366 IonicContact OD2-NE 3.73Å; D239-R366 PolarHBondContact OD2-NE 3.48Å; D239-R366 IonicContact OD2-NH2 3.61Å; D239-R366 PolarHBondContact OD2-NH2 2.76Å; D362-R366 VanDerWaalsContact O-CB 3.32Å; D362-R366 WeakPolarHBondContact O-CB 3.32Å; D362-R366 PolarHBondContact O-N 2.98Å; E363-R366 PolarHBondContact O-N 3.27Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.37Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.43Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 2.7Å; R366-R369 VanDerWaalsContact O-N 3.16Å; R366-R388 HydrophobicContact CG-CG 4.19Å
367H88.5Confident86.5Confident7 Ų753.8 Ų53.83%0.03228%0.277CS..Hα-helixtrans-60.1-37.7178169.982.2000112.8C354 W356 F358 E363 L364 R369 K370 H371C354-H367 VanDerWaalsContact SG-CE1 3.57Å; C354-H367 PolarHBondContact SG-NE2 3.16Å; W356-H367 AromaticContact CD2-CE1 3.89Å; W356-H367 AromaticContact CE3-CE1 3.68Å; W356-H367 AromaticContact CE3-ND1 3.58Å; F358-H367 HydrophobicContact CE1-CB 4Å; F358-H367 HydrophobicContact CE2-CB 3.9Å; F358-H367 AromaticContact CE2-CD2 3.59Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.4Å; F358-H367 AromaticContact CZ-CD2 3.61Å; F358-H367 AromaticContact CZ-CG 3.26Å; F358-H367 AromaticContact CZ-ND1 3.61Å; E363-H367 WeakPolarHBondContact O-CB 3.27Å; E363-H367 PolarHBondContact O-N 3.03Å; L364-H367 PolarHBondContact O-N 3.13Å; H367-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact O-N 3.17Å; H367-K370 WeakPolarHBondContact O-CB 3.43Å; H367-K370 PolarHBondContact O-N 3.36Å; H367-H371 AromaticContact CD2-NE2 3.09Å; H367-H371 PolarHBondContact CD2-NE2 3Å; H367-H371 AromaticContact CE1-NE2 2.98Å; H367-H371 PolarHBondContact CE1-NE2 2.9Å; H367-H371 AromaticContact ND1-NE2 3.99Å; H367-H371 AromaticContact NE2-CD2 3.91Å; H367-H371 AromaticContact NE2-NE2 2.22Å; H367-H371 PolarHBondContact NE2-NE2 3.33Å
368Y86.3Confident86.5Confident66 Ų6655.9 Ų55.926%0.25929%0.286SS..Hα-helixtrans-61-26.8178.3-154.6-91000113I210 W351 L364 R366 K370 H371 T372I210-Y368 HydrophobicContact CG2-CD1 4.47Å; W351-Y368 HydrophobicContact CE3-CE2 4.38Å; L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.46Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.43Å; Y368-K370 PolarHBondContact O-N 2.99Å; Y368-H371 PolarHBondContact O-N 3.19Å; Y368-T372 HydrophobicContact CD1-CG2 3.78Å; Y368-T372 HydrophobicContact CE1-CG2 3.6Å; Y368-T372 PolarHBondContact O-N 3.06Å; Y368-T372 VanDerWaalsContact O-N 3.17Å; Y368-T372 PolarHBondContact O-OG1 2.96Å
369R87.1Confident86.7Confident22 Ų2255.4 Ų55.48%0.08329%0.285CS..Hα-helixtrans-67.8-22.1173.5-61.8177.9-178-170-6.5113.4N208 I210 R366 H367 H371 G373 V374 S387N208-R369 PolarHBondContact OD1-NH2 2.74Å; I210-R369 HydrophobicContact CD1-CG 4.09Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 2.7Å; R366-R369 VanDerWaalsContact O-N 3.16Å; H367-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact O-N 3.17Å; R369-H371 VanDerWaalsContact C-N 3.34Å; R369-G373 WeakPolarHBondContact O-CA 3.4Å; R369-G373 PolarHBondContact O-N 3.16Å; R369-V374 PolarHBondContact O-N 3.26Å; R369-S387 PolarHBondContact NH1-O 2.87Å
370K85.3Confident86.8Confident103 Ų10359.1 Ų59.145%0.44832%0.315SS..Hα-helixtrans-67.6-36.9172.8-168.9177.7-175.9168.50111.3D242 H367 Y368D242-K370 WeakPolarHBondContact OD1-CE 3.39Å; D242-K370 IonicContact OD1-NZ 3.15Å; D242-K370 PolarHBondContact OD1-NZ 2.81Å; D242-K370 WeakPolarHBondContact OD2-CD 3.18Å; D242-K370 VanDerWaalsContact OD2-CE 3.27Å; D242-K370 WeakPolarHBondContact OD2-CE 3.24Å; D242-K370 IonicContact OD2-NZ 2.78Å; D242-K370 PolarHBondContact OD2-NZ 2.82Å; H367-K370 WeakPolarHBondContact O-CB 3.43Å; H367-K370 PolarHBondContact O-N 3.36Å; Y368-K370 PolarHBondContact O-N 2.99Å
371H86.4Confident86.9Confident61 Ų6158.8 Ų58.828%0.28232%0.32SS..Hα-helixtrans-75.7-39.8176.7-60.9-50.2000112.5C349 W351 C354 H367 Y368 R369C349-H371 PolarHBondContact SG-NE2 3.19Å; W351-H371 AromaticContact CD1-CG 3.94Å; W351-H371 AromaticContact CD1-ND1 3.71Å; W351-H371 HydrophobicContact CD2-CB 3.57Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.71Å; W351-H371 HydrophobicContact CG-CB 3.99Å; W351-H371 AromaticContact CG-CD2 3.83Å; W351-H371 AromaticContact CG-CG 3.62Å; W351-H371 AromaticContact CG-ND1 3.85Å; W351-H371 HydrophobicContact CH2-CB 4.3Å; W351-H371 HydrophobicContact CZ2-CB 4.19Å; W351-H371 HydrophobicContact CZ3-CB 4.08Å; C354-H371 WeakPolarHBondContact CB-CE1 3.44Å; C354-H371 VanDerWaalsContact CB-NE2 3.35Å; C354-H371 WeakPolarHBondContact CB-NE2 3.22Å; C354-H371 PolarHBondContact SG-CE1 3.17Å; C354-H371 PolarHBondContact SG-NE2 3.37Å; H367-H371 AromaticContact CD2-NE2 3.09Å; H367-H371 PolarHBondContact CD2-NE2 3Å; H367-H371 AromaticContact CE1-NE2 2.98Å; H367-H371 PolarHBondContact CE1-NE2 2.9Å; H367-H371 AromaticContact ND1-NE2 3.99Å; H367-H371 AromaticContact NE2-CD2 3.91Å; H367-H371 AromaticContact NE2-NE2 2.22Å; H367-H371 PolarHBondContact NE2-NE2 3.33Å; Y368-H371 PolarHBondContact O-N 3.19Å; R369-H371 VanDerWaalsContact C-N 3.34Å
372T85.9Confident87.1Confident61 Ų6158.1 Ų58.137%0.37432%0.315SS..Hα-helixtrans-88.3-8.1-17862.60000114.7W351 Y368 V374W351-T372 HydrophobicContact CZ3-CG2 4.38Å; Y368-T372 HydrophobicContact CD1-CG2 3.78Å; Y368-T372 HydrophobicContact CE1-CG2 3.6Å; Y368-T372 PolarHBondContact O-N 3.06Å; Y368-T372 VanDerWaalsContact O-N 3.17Å; Y368-T372 PolarHBondContact O-OG1 2.96Å; T372-V374 PolarHBondContact O-N 2.65Å; T372-V374 VanDerWaalsContact O-N 3.13Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.48Å
373G84.9Confident87.2Confident53 Ų5361.8 Ų61.855%0.54634%0.335SS..  trans65.97-175.400000115R369 K375R369-G373 WeakPolarHBondContact O-CA 3.4Å; R369-G373 PolarHBondContact O-N 3.16Å; G373-K375 PolarHBondContact O-N 3.3Å; G373-K375 VanDerWaalsContact O-N 3.15Å
374V84.7Confident87.2Confident72 Ų7264.1 Ų64.144%0.43634%0.342SS..  trans-71.7110.9-171.1173.80000111.1R369 T372 P376R369-V374 PolarHBondContact O-N 3.26Å; T372-V374 PolarHBondContact O-N 2.65Å; T372-V374 VanDerWaalsContact O-N 3.13Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.48Å; V374-P376 VanDerWaalsContact O-CD 3.24Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å
375K88.2Confident87.2Confident75 Ų7565.7 Ų65.733%0.32635%0.354SS..  trans-108.282.1177.2-62.2-162.7-174.7-159.10111.2D244 L245 G373 F377 S385 F386D244-K375 WeakPolarHBondContact OD1-CD 3Å; D244-K375 WeakPolarHBondContact OD1-CE 3.2Å; D244-K375 IonicContact OD1-NZ 2.66Å; D244-K375 PolarHBondContact OD1-NZ 3.44Å; L245-K375 PolarHBondContact O-NZ 2.9Å; G373-K375 PolarHBondContact O-N 3.3Å; G373-K375 VanDerWaalsContact O-N 3.15Å; K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.92Å; K375-S385 WeakPolarHBondContact CD-O 3.2Å; K375-F386 CarbonylContact C-O 3.51Å; K375-F386 VanDerWaalsContact C-O 3.25Å; K375-F386 VanDerWaalsContact CA-O 3.29Å; K375-F386 WeakPolarHBondContact CA-O 3.45Å
376P86.7Confident87.2Confident61 Ų6165.3 Ų65.340%0.39635%0.35SS..  trans-78.9-8.1-169.833-35.7000114.1V374 F386V374-P376 VanDerWaalsContact O-CD 3.24Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F386 WeakPolarHBondContact CD-O 3.29Å
377F87.6Confident87.2Confident34 Ų3463.2 Ų63.215%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-103.883.4-174.8-60-66.9000110.8K375 F386 S389 L392K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.92Å; F377-F386 HydrophobicContact CB-CB 4.35Å; F377-F386 PolarHBondContact N-O 3.45Å; F377-F386 VanDerWaalsContact N-O 3.16Å; F377-F386 WeakPolarHBondContact O-CD2 3.49Å; F377-F386 PolarHBondContact O-N 3.2Å; F377-S389 VanDerWaalsContact CD2-N 3.28Å; F377-S389 VanDerWaalsContact CE2-N 3.32Å; F377-L392 HydrophobicContact CB-CB 4.06Å; F377-L392 HydrophobicContact CB-CD2 3.81Å
378K88.6Confident87.1Confident162 Ų16264.6 Ų64.670%0.70435%0.352SS*.EExtended strand (participates in β ladder)trans-74.2143.6171.666.3176.9180175.40112.3S385 L392K378-S385 WeakPolarHBondContact CB-OG 3.43Å; K378-L392 WeakPolarHBondContact O-CD2 3.41Å
379C90.2Very high87.3Confident8 Ų864.8 Ų64.85%0.05436%0.363CS..  trans-72.5155164.4-175.40000110D381 C382 R384 L392 H399C379-D381 PolarHBondContact SG-N 3.49Å; C379-D381 PolarHBondContact SG-OD2 3.32Å; C379-C382 CarbonylContact C-O 3.59Å; C379-C382 VanDerWaalsContact CB-O 3.27Å; C379-C382 WeakPolarHBondContact CB-O 3.38Å; C379-R384 WeakPolarHBondContact CB-O 3.33Å; C379-R384 PolarHBondContact N-O 3.28Å; C379-L392 HydrophobicContact CB-CD1 3.73Å; C379-H399 PolarHBondContact SG-NE2 3.17Å; C379-H399 VanDerWaalsContact SG-NE2 3.38Å
380A88.8Confident87.3Confident92 Ų9267.1 Ų67.176%0.7638%0.377SS*.SBendtrans-96.1-21.817300000111.5
381D87.1Confident87.5Confident79 Ų7964 Ų6442%0.42236%0.364SS..SBendtrans-96.8-8.1-171.3-28.9-77.1000111C379 R396 H399C379-D381 PolarHBondContact SG-N 3.49Å; C379-D381 PolarHBondContact SG-OD2 3.32Å; D381-R396 IonicContact OD1-NH2 3.45Å; D381-R396 PolarHBondContact OD1-NH2 2.86Å; D381-R396 IonicContact OD2-CZ 3.16Å; D381-R396 IonicContact OD2-NE 2.89Å; D381-R396 PolarHBondContact OD2-NE 3.45Å; D381-R396 IonicContact OD2-NH2 3.45Å; D381-R396 PolarHBondContact OD2-NH2 3.44Å; D381-H399 HydrophobicContact CB-CB 4.27Å; D381-H399 IonicContact OD2-CD2 2.63Å
382C89.7Confident87.7Confident36 Ų3662.3 Ų62.324%0.24336%0.357CS..SBendtrans-167.1168.9161.966.60000111.1C379 R384 H395 H399C379-C382 CarbonylContact C-O 3.59Å; C379-C382 VanDerWaalsContact CB-O 3.27Å; C379-C382 WeakPolarHBondContact CB-O 3.38Å; C382-R384 PolarHBondContact O-N 2.89Å; C382-H395 PolarHBondContact SG-NE2 3.36Å; C382-H399 VanDerWaalsContact SG-CE1 3.56Å; C382-H399 PolarHBondContact SG-NE2 3.39Å; C382-H399 VanDerWaalsContact SG-NE2 3.37Å
383D86.4Confident87.8Confident162 Ų16261.9 Ų61.987%0.86636%0.359SS*.SBendtrans-72.611.9-173.6-53.2-78.7000116.1S385D383-S385 PolarHBondContact O-N 2.86Å
384R86.1Confident88Confident83 Ų8364 Ų6431%0.31336%0.357SS..  trans-73121.3-179.2-66.9-177.9-178.2-141.3-0.9110.8P246 C379 C382 F386P246-R384 HydrophobicContact CB-CG 3.91Å; C379-R384 WeakPolarHBondContact CB-O 3.33Å; C379-R384 PolarHBondContact N-O 3.28Å; C382-R384 PolarHBondContact O-N 2.89Å; R384-F386 HydrophobicContact CB-CE2 3.68Å; R384-F386 HydrophobicContact CB-CZ 3.88Å; R384-F386 WeakPolarHBondContact O-CE2 3.4Å
385S89.2Confident88.3Confident44 Ų4461.3 Ų61.331%0.30834%0.34SS..EExtended strand (participates in β ladder)trans-107.6144.3175.3-61.20000111.6K375 K378 D383K375-S385 WeakPolarHBondContact CD-O 3.2Å; K378-S385 WeakPolarHBondContact CB-OG 3.43Å; D383-S385 PolarHBondContact O-N 2.86Å
386F87.3Confident88.3Confident18 Ų1862.6 Ų62.68%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-126.9150.2-172.8-61.8-90.1000112.5D244 K375 P376 F377 R384 R388 H391 L392 H395D244-F386 HydrophobicContact CB-CD1 4.32Å; K375-F386 CarbonylContact C-O 3.51Å; K375-F386 VanDerWaalsContact C-O 3.25Å; K375-F386 VanDerWaalsContact CA-O 3.29Å; K375-F386 WeakPolarHBondContact CA-O 3.45Å; P376-F386 WeakPolarHBondContact CD-O 3.29Å; F377-F386 HydrophobicContact CB-CB 4.35Å; F377-F386 PolarHBondContact N-O 3.45Å; F377-F386 VanDerWaalsContact N-O 3.16Å; F377-F386 WeakPolarHBondContact O-CD2 3.49Å; F377-F386 PolarHBondContact O-N 3.2Å; R384-F386 HydrophobicContact CB-CE2 3.68Å; R384-F386 HydrophobicContact CB-CZ 3.88Å; R384-F386 WeakPolarHBondContact O-CE2 3.4Å; F386-R388 VanDerWaalsContact C-N 3.34Å; F386-H391 HydrophobicContact CB-CB 4.38Å; F386-H391 HydrophobicContact CD1-CB 3.94Å; F386-H391 HydrophobicContact CG-CB 4.41Å; F386-L392 HydrophobicContact CB-CB 4.36Å; F386-L392 HydrophobicContact CD2-CB 4.05Å; F386-L392 HydrophobicContact CD2-CD1 3.93Å; F386-L392 HydrophobicContact CE2-CD1 4.16Å; F386-L392 HydrophobicContact CG-CB 4.34Å; F386-H395 HydrophobicContact CE1-CB 4.15Å; F386-H395 HydrophobicContact CE2-CB 4.03Å; F386-H395 AromaticContact CE2-CD2 3.17Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F386-H395 AromaticContact CE2-CG 3.71Å; F386-H395 AromaticContact CE2-NE2 3.95Å; F386-H395 HydrophobicContact CZ-CB 3.61Å; F386-H395 AromaticContact CZ-CD2 3.34Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.34Å; F386-H395 AromaticContact CZ-CG 3.39Å
387S86.7Confident88.3Confident29 Ų2967.2 Ų67.220%0.20335%0.353CS..SBendtrans-68.8-31.2176.5650000113.4D244 R369D244-S387 WeakPolarHBondContact OD2-CB 3.46Å; D244-S387 PolarHBondContact OD2-N 3.35Å; D244-S387 PolarHBondContact OD2-OG 3.2Å; R369-S387 PolarHBondContact NH1-O 2.87Å
388R87Confident88.2Confident36 Ų3671.6 Ų71.614%0.13637%0.368CS..SBendtrans-130149.8-173.6-57.715155.8171.3-1.6112.1D241 R366 F386 D390 H391 L392D241-R388 IonicContact OD1-CZ 3.5Å; D241-R388 IonicContact OD1-NH1 2.87Å; D241-R388 PolarHBondContact OD1-NH1 3.25Å; D241-R388 IonicContact OD1-NH2 3.61Å; R366-R388 HydrophobicContact CG-CG 4.19Å; F386-R388 VanDerWaalsContact C-N 3.34Å; R388-D390 WeakPolarHBondContact CB-OD1 3.39Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 3.38Å; R388-D390 IonicContact NE-OD1 3.53Å; R388-D390 PolarHBondContact NE-OD1 3.44Å; R388-D390 IonicContact NE-OD2 2.85Å; R388-D390 IonicContact NH2-OD1 3.49Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å; R388-H391 WeakPolarHBondContact CD-NE2 3.44Å; R388-H391 PolarHBondContact NE-NE2 3.37Å; R388-H391 PolarHBondContact NH1-CE1 3.47Å; R388-H391 PolarHBondContact NH1-NE2 3.4Å; R388-L392 PolarHBondContact O-N 3.3Å
389S89.4Confident88Confident70 Ų7066.5 Ų66.549%0.4935%0.347SS..Hα-helixtrans-76.4-24.2-178.551.20000113.9F377 A393F377-S389 VanDerWaalsContact CD2-N 3.28Å; F377-S389 VanDerWaalsContact CE2-N 3.32Å; S389-A393 WeakPolarHBondContact O-CB 3.17Å; S389-A393 PolarHBondContact O-N 3.26Å
390D87.5Confident87.5Confident71 Ų7173 Ų7338%0.3838%0.378SS..Hα-helixtrans-72.2-39.9174.757.8-15.4000111.6R388 A393 L394R388-D390 WeakPolarHBondContact CB-OD1 3.39Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 3.38Å; R388-D390 IonicContact NE-OD1 3.53Å; R388-D390 PolarHBondContact NE-OD1 3.44Å; R388-D390 IonicContact NE-OD2 2.85Å; R388-D390 IonicContact NH2-OD1 3.49Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å; D390-A393 PolarHBondContact O-N 2.93Å; D390-L394 WeakPolarHBondContact O-CG 3.27Å; D390-L394 PolarHBondContact O-N 2.69Å
391H89.4Confident86.6Confident36 Ų3675.7 Ų75.717%0.16738%0.379CS..Hα-helixtrans-61.4-44.8169.4-67.6-27.3000112.3D241 D244 F386 R388 A393 L394 H395D241-H391 IonicContact OD1-CE1 2.82Å; D241-H391 IonicContact OD1-NE2 3.77Å; D244-H391 IonicContact OD2-CD2 3.75Å; F386-H391 HydrophobicContact CB-CB 4.38Å; F386-H391 HydrophobicContact CD1-CB 3.94Å; F386-H391 HydrophobicContact CG-CB 4.41Å; R388-H391 WeakPolarHBondContact CD-NE2 3.44Å; R388-H391 PolarHBondContact NE-NE2 3.37Å; R388-H391 PolarHBondContact NH1-CE1 3.47Å; R388-H391 PolarHBondContact NH1-NE2 3.4Å; H391-A393 VanDerWaalsContact C-N 3.34Å; H391-A393 PolarHBondContact O-N 2.93Å; H391-L394 PolarHBondContact O-N 3.23Å; H391-H395 VanDerWaalsContact O-CB 3.31Å; H391-H395 WeakPolarHBondContact O-CB 3.45Å; H391-H395 PolarHBondContact O-N 3.38Å
392L89.7Confident85.1Confident26 Ų2680.5 Ų80.514%0.13641%0.411CS..Hα-helixtrans-58.8-44.7172.1173.961.3000111.5F377 K378 C379 F386 R388 L394 H395 R396F377-L392 HydrophobicContact CB-CB 4.06Å; F377-L392 HydrophobicContact CB-CD2 3.81Å; K378-L392 WeakPolarHBondContact O-CD2 3.41Å; C379-L392 HydrophobicContact CB-CD1 3.73Å; F386-L392 HydrophobicContact CB-CB 4.36Å; F386-L392 HydrophobicContact CD2-CB 4.05Å; F386-L392 HydrophobicContact CD2-CD1 3.93Å; F386-L392 HydrophobicContact CE2-CD1 4.16Å; F386-L392 HydrophobicContact CG-CB 4.34Å; R388-L392 PolarHBondContact O-N 3.3Å; L392-L394 PolarHBondContact O-N 3.21Å; L392-H395 PolarHBondContact O-N 3.47Å; L392-R396 HydrophobicContact CD1-CG 3.85Å; L392-R396 HydrophobicContact CG-CG 4.39Å; L392-R396 WeakPolarHBondContact O-CG 3.31Å; L392-R396 PolarHBondContact O-N 3.27Å
393A89.2Confident84.8Confident52 Ų5282.7 Ų82.743%0.4342%0.419SS..Hα-helixtrans-64.8-36.7-179.600000112.9S389 D390 H391S389-A393 WeakPolarHBondContact O-CB 3.17Å; S389-A393 PolarHBondContact O-N 3.26Å; D390-A393 PolarHBondContact O-N 2.93Å; H391-A393 VanDerWaalsContact C-N 3.34Å; H391-A393 PolarHBondContact O-N 2.93Å
394L88.9Confident84.7Confident97 Ų9778.5 Ų78.551%0.50840%0.395SS..Hα-helixtrans-69.3-43.8172.4-71.7171.6000111.5D390 H391 L392 R396 R397D390-L394 WeakPolarHBondContact O-CG 3.27Å; D390-L394 PolarHBondContact O-N 2.69Å; H391-L394 PolarHBondContact O-N 3.23Å; L392-L394 PolarHBondContact O-N 3.21Å; L394-R396 PolarHBondContact O-N 3.45Å; L394-R397 WeakPolarHBondContact O-CB 3.37Å; L394-R397 PolarHBondContact O-N 3.37Å
395H90.1Very high84.7Confident17 Ų1778.3 Ų78.38%0.07940%0.4CS..Hα-helixtrans-58.5-44.4176.2166.447.2000112.2C382 F386 H391 L392 R397 R398 H399C382-H395 PolarHBondContact SG-NE2 3.36Å; F386-H395 HydrophobicContact CE1-CB 4.15Å; F386-H395 HydrophobicContact CE2-CB 4.03Å; F386-H395 AromaticContact CE2-CD2 3.17Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F386-H395 AromaticContact CE2-CG 3.71Å; F386-H395 AromaticContact CE2-NE2 3.95Å; F386-H395 HydrophobicContact CZ-CB 3.61Å; F386-H395 AromaticContact CZ-CD2 3.34Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.34Å; F386-H395 AromaticContact CZ-CG 3.39Å; H391-H395 VanDerWaalsContact O-CB 3.31Å; H391-H395 WeakPolarHBondContact O-CB 3.45Å; H391-H395 PolarHBondContact O-N 3.38Å; L392-H395 PolarHBondContact O-N 3.47Å; H395-R397 PolarHBondContact O-N 2.94Å; H395-R398 VanDerWaalsContact O-CB 3.28Å; H395-R398 WeakPolarHBondContact O-CB 3.28Å; H395-R398 PolarHBondContact O-N 3.1Å; H395-H399 AromaticContact CE1-CD2 3.79Å; H395-H399 AromaticContact CE1-CE1 3.94Å; H395-H399 AromaticContact CE1-NE2 3.21Å; H395-H399 PolarHBondContact CE1-NE2 3.02Å; H395-H399 AromaticContact NE2-CD2 3.84Å; H395-H399 AromaticContact NE2-NE2 3.23Å; H395-H399 PolarHBondContact NE2-NE2 3.22Å
396R88Confident84.4Confident102 Ų10280.3 Ų80.339%0.38541%0.405SS..Hα-helixtrans-64.1-24.5178.9-70.5-171.478.1-153-0.4113.8D381 L392 L394 R398 H399D381-R396 IonicContact OD1-NH2 3.45Å; D381-R396 PolarHBondContact OD1-NH2 2.86Å; D381-R396 IonicContact OD2-CZ 3.16Å; D381-R396 IonicContact OD2-NE 2.89Å; D381-R396 PolarHBondContact OD2-NE 3.45Å; D381-R396 IonicContact OD2-NH2 3.45Å; D381-R396 PolarHBondContact OD2-NH2 3.44Å; L392-R396 HydrophobicContact CD1-CG 3.85Å; L392-R396 HydrophobicContact CG-CG 4.39Å; L392-R396 WeakPolarHBondContact O-CG 3.31Å; L392-R396 PolarHBondContact O-N 3.27Å; L394-R396 PolarHBondContact O-N 3.45Å; R396-R398 PolarHBondContact O-N 3.2Å; R396-H399 PolarHBondContact O-N 2.99Å
397R88.6Confident84.2Confident158 Ų15884.2 Ų84.260%0.59643%0.426SS*.Hα-helixtrans-64-27.9170.3-64.3174.2-171.2-1730.7112.4L394 H395 H399 M400L394-R397 WeakPolarHBondContact O-CB 3.37Å; L394-R397 PolarHBondContact O-N 3.37Å; H395-R397 PolarHBondContact O-N 2.94Å; R397-H399 VanDerWaalsContact C-N 3.32Å; R397-M400 WeakPolarHBondContact O-CB 3.42Å; R397-M400 PolarHBondContact O-N 2.87Å; R397-M400 VanDerWaalsContact O-N 3.1Å
398R83.8Confident84.1Confident125 Ų12587.9 Ų87.947%0.47244%0.441SS..Hα-helixtrans-70.4-29.1175.8-166.4179.366.7-158.90.5112.4H395 R396 M400 L401H395-R398 VanDerWaalsContact O-CB 3.28Å; H395-R398 WeakPolarHBondContact O-CB 3.28Å; H395-R398 PolarHBondContact O-N 3.1Å; R396-R398 PolarHBondContact O-N 3.2Å; R398-M400 PolarHBondContact O-N 3.41Å; R398-L401 PolarHBondContact O-N 3.17Å
399H85Confident83.8Confident56 Ų5691.6 Ų91.626%0.25946%0.462SS..THydrogen-bonded Turntrans-73.3-9.9170.6-63.7-61.9000113C379 D381 C382 H395 R396 R397C379-H399 PolarHBondContact SG-NE2 3.17Å; C379-H399 VanDerWaalsContact SG-NE2 3.38Å; D381-H399 HydrophobicContact CB-CB 4.27Å; D381-H399 IonicContact OD2-CD2 2.63Å; C382-H399 VanDerWaalsContact SG-CE1 3.56Å; C382-H399 PolarHBondContact SG-NE2 3.39Å; C382-H399 VanDerWaalsContact SG-NE2 3.37Å; H395-H399 AromaticContact CE1-CD2 3.79Å; H395-H399 AromaticContact CE1-CE1 3.94Å; H395-H399 AromaticContact CE1-NE2 3.21Å; H395-H399 PolarHBondContact CE1-NE2 3.02Å; H395-H399 AromaticContact NE2-CD2 3.84Å; H395-H399 AromaticContact NE2-NE2 3.23Å; H395-H399 PolarHBondContact NE2-NE2 3.22Å; R396-H399 PolarHBondContact O-N 2.99Å; R397-H399 VanDerWaalsContact C-N 3.32Å
400M79.6Confident83.4Confident145 Ų14593.2 Ų93.271%0.71446%0.46SS*.THydrogen-bonded Turntrans-98.211170.3-55.5170.117600112.2R397 R398R397-M400 WeakPolarHBondContact O-CB 3.42Å; R397-M400 PolarHBondContact O-N 2.87Å; R397-M400 VanDerWaalsContact O-N 3.1Å; R398-M400 PolarHBondContact O-N 3.41Å
401L70.8Confident83.1Confident148 Ų14895.1 Ų95.178%0.77547%0.467SS*.  trans-120.322.7175.6-64.1173.9000111.1R398R398-L401 PolarHBondContact O-N 3.17Å
402V53.9Low82.5Confident179 Ų179100.5 Ų100.5100%1.08549%0.494SS*.  trans-125.90171.6-175.80000106.6

Retrieved 402 of 402 residues in 915.6 ms (Link to these results)