A0A5K4FCP8_SCHMA Loading...

BRCT domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low46.2Very low239 Ų239145.6 Ų145.6100%1.17783%0.834SS**  0120.90-75173.9102.300108.1
2S37.3Very low46.3Very low123 Ų123147.4 Ų147.486%0.8683%0.826SS**  trans45114.5155.3-48.40000121.3
3T39.6Very low46Very low141 Ų141147.2 Ų147.287%0.86582%0.821SS**  trans-53.6149.3162500000115.1
4S44.8Very low45.7Very low117 Ų117148.4 Ų148.482%0.81883%0.825SS**  trans-153.2108.214159.30000110.2
5S42Very low45.5Very low104 Ų104148.3 Ų148.373%0.72782%0.821SS**PPolyproline II helixtrans-73.5130.4169.454.20000110.3
6T52.1Low45.1Very low138 Ų138145.7 Ų145.785%0.84781%0.813SS**PPolyproline II helixtrans-100.5118.5161.535.40000108.2
7N50.4Low44.6Very low140 Ų140143.5 Ų143.575%0.74981%0.809SS**PPolyproline II helixtrans-59.1130.8-176.3-61.9-35.7000111.9F9N7-F9 PolarHBondContact O-N 3.15Å
8D46Very low44.1Very low164 Ų164143.7 Ų143.788%0.87780%0.802SS**PPolyproline II helixtrans-62.1124.7165.7-73.6-49.6000109.9
9F50.5Low43.5Very low206 Ų206144 Ų14490%0.90480%0.801SS**  trans-83.5105169.3-109.5-94.2000107.9N7N7-F9 PolarHBondContact O-N 3.15Å
10D50.6Low43.1Very low123 Ų123144.3 Ų144.366%0.65880%0.8SS**  trans-89.1117.9172.1-131.1-24.1000109.3F12D10-F12 PolarHBondContact O-N 2.84Å
11P49.3Very low42.7Very low107 Ų107146 Ų14670%0.69580%0.799SS**THydrogen-bonded Turntrans-85.521.7-170.933.4-33.5000114.1
12F47.8Very low42.2Very low167 Ų167140.2 Ų140.273%0.73278%0.778SS**THydrogen-bonded Turntrans-113.42.2-172.2-74.2-75.4000116.4D10 N14D10-F12 PolarHBondContact O-N 2.84Å; F12-N14 PolarHBondContact O-N 2.9Å
13D41.4Very low42Very low144 Ų144144.3 Ų144.377%0.7778%0.78SS**  trans-101.744.7-174.4-77.2-24.6000115.3
14N41.8Very low41.8Very low164 Ų164143.6 Ų143.688%0.87778%0.775SS**  trans-132.674.1168.5-89-41.2000111.3F12F12-N14 PolarHBondContact O-N 2.9Å
15I43.4Very low41.4Very low147 Ų147143.4 Ų143.475%0.75477%0.771SS**  trans-107.3117.6166-58.2177.3000108S17I15-S17 PolarHBondContact O-N 2.89Å; I15-S17 VanDerWaalsContact O-N 3.08Å
16P39.7Very low41Very low107 Ų107146.5 Ų146.570%0.69578%0.78SS**  trans-68.9107.2173-12.727.1000110.1H18P16-H18 PolarHBondContact O-N 2.93Å; P16-H18 VanDerWaalsContact O-N 3.08Å
17S35.7Very low40.3Very low108 Ų108146.3 Ų146.376%0.75578%0.778SS**  trans-78.375.1175.355.90000111.2I15I15-S17 PolarHBondContact O-N 2.89Å; I15-S17 VanDerWaalsContact O-N 3.08Å
18H35.7Very low39.7Very low147 Ų147144.4 Ų144.468%0.68178%0.776SS**  trans-178.880.316341.8-81.7000112.1P16P16-H18 PolarHBondContact O-N 2.93Å; P16-H18 VanDerWaalsContact O-N 3.08Å
19L33.1Very low39.3Very low150 Ų150142.5 Ų142.579%0.78577%0.772SS**  trans-12286.3156.2-87.8165.4000108.4F21L19-F21 HydrophobicContact CB-CD2 4.48Å; L19-F21 HydrophobicContact CB-CE2 4.11Å; L19-F21 PolarHBondContact O-N 2.77Å
20I35.8Very low38.6Very low150 Ų150136.7 Ų136.777%0.76976%0.762SS**  trans-71.8105167.9-62.6172.9000106.5T22I20-T22 HydrophobicContact CG2-CG2 4.27Å; I20-T22 PolarHBondContact O-N 3.22Å
21F34.6Very low37.7Very low181 Ų181138.8 Ų138.879%0.79477%0.773SS**  trans-81.6101.2168.8-79.9-85.6000109.2L19L19-F21 HydrophobicContact CB-CD2 4.48Å; L19-F21 HydrophobicContact CB-CE2 4.11Å; L19-F21 PolarHBondContact O-N 2.77Å
22T34.9Very low37Very low117 Ų117138.4 Ų138.472%0.71877%0.774SS**  trans-75.8124.9166.739.10000109.7I20 T24I20-T22 HydrophobicContact CG2-CG2 4.27Å; I20-T22 PolarHBondContact O-N 3.22Å; T22-T24 PolarHBondContact O-N 2.97Å
23K32.2Very low36.1Very low209 Ų209137.1 Ų137.191%0.90978%0.783SS**  trans-69.9103179.8-167.6179.1-173.6-179.70109.3
24T36.5Very low35.7Very low125 Ų125135 Ų13577%0.76778%0.78SS**  trans-82.5137169.138.90000110.5T22T22-T24 PolarHBondContact O-N 2.97Å
25P35.5Very low35.5Very low113 Ų113132.8 Ų132.873%0.73478%0.778SS**  trans-75.3141.1-17930-31.6000111.1V27P25-V27 PolarHBondContact O-N 3.43Å
26N34Very low35.2Very low170 Ų170134.2 Ų134.291%0.90978%0.781SS**  trans-44.4119.5170.8-107.1-21.1000111.9
27V38Very low35.1Very low134 Ų134136 Ų13681%0.81278%0.784SS**  trans-118.8109.8161.3-1660000107P25P25-V27 PolarHBondContact O-N 3.43Å
28S36.4Very low35Very low100 Ų100135 Ų13570%0.69978%0.778SS**  trans-63.6142.2177.7-52.80000111.2A30S28-A30 PolarHBondContact O-N 3.14Å
29P37.9Very low35.2Very low123 Ų123138.3 Ų138.380%0.79979%0.785SS**  trans-71.2114.5164.428.2-28.5000108.4N31P29-N31 PolarHBondContact O-N 3.03Å
30A37.2Very low35.5Very low84 Ų84138.4 Ų138.469%0.69479%0.787SS**  trans-65.9122.9171.200000109.6S28 S32S28-A30 PolarHBondContact O-N 3.14Å; A30-S32 PolarHBondContact O-N 3.41Å
31N31.4Very low35.4Very low167 Ų167140.2 Ų140.289%0.89379%0.792SS**  trans-65.6114.7160.4-72.2-25.5000108.1P29P29-N31 PolarHBondContact O-N 3.03Å
32S33.4Very low35.9Very low100 Ų100138.1 Ų138.170%0.69979%0.794SS**  trans-131.184.3171-50.90000108.7A30 S34A30-S32 PolarHBondContact O-N 3.41Å; S32-S34 PolarHBondContact O-N 3.42Å
33C29.2Very low36Very low139 Ų139139.9 Ų139.994%0.93980%0.799SS**  trans-75.4112.2159.1-70.90000107.6
34S32.8Very low36.4Very low101 Ų101139.2 Ų139.271%0.70680%0.799SS**  trans-156.695162.8620000109.9S32S32-S34 PolarHBondContact O-N 3.42Å
35S39Very low36.4Very low117 Ų117140.8 Ų140.882%0.81880%0.801SS**  trans-125.593.2153.5-67.60000106.6
36H36.6Very low36.6Very low177 Ų177141 Ų14182%0.81981%0.805SS**  trans-67113.1157.9-109.7-76.4000106.6
37D36.8Very low36.8Very low143 Ų143140.4 Ų140.477%0.76580%0.802SS**  trans-117.3101.8155.7-79.9-37.5000107.4
38S34.3Very low36.8Very low89 Ų89137.5 Ų137.562%0.62280%0.799SS**  trans-90.6113.7169.5154.50000107
39Y38.8Very low36.7Very low215 Ų215140.3 Ų140.384%0.84381%0.806SS**  trans-132.4113.9158.5-82.6-76.2000109.9
40D40.7Very low37Very low153 Ų153142.4 Ų142.482%0.81881%0.805SS**  trans-63.7137.8174.7-95.5-41.5000111.8
41H34.3Very low36.8Very low187 Ų187146.6 Ų146.687%0.86681%0.811SS**  trans-81.2120166.6-78.5-60000110
42T43.7Very low37.1Very low137 Ų137146.5 Ų146.584%0.8481%0.81SS**  trans-148.2125.4147.228.40000112.5
43N37.2Very low37.3Very low154 Ų154150.7 Ų150.782%0.82482%0.816SS**  trans-38.1142.5175.6-60.9-44.7000117.3
44Q41.1Very low37.5Very low196 Ų196151.9 Ų151.992%0.91681%0.808SS**  -167.8152.4116-105.5177.572.300113.4
45I36Very low37.6Very low158 Ų158155.7 Ų155.781%0.8181%0.812SS**  trans-79.4138.3-163.8-64.1151.6000111.4
46S40.1Very low37Very low117 Ų117158.3 Ų158.382%0.81881%0.81SS**  trans-173.2147.6136.4-124.50000113
47D37.3Very low36.7Very low158 Ų158153.3 Ų153.385%0.84580%0.796SS**  trans-59.2152.3-166.3-58.1-62.1000116.2
48G38.1Very low36.2Very low72 Ų72153.1 Ų153.174%0.74280%0.8SS**  trans153.8102.1160.500000114.6Q50G48-Q50 PolarHBondContact O-N 3.11Å
49N36Very low36Very low160 Ų160155.4 Ų155.486%0.85680%0.799SS**  trans-35.1130167.1-71.4-46.1000113.7
50Q43Very low35.4Very low167 Ų167150.5 Ų150.578%0.7880%0.796SS**  157.1122.4119.8-82.8178.925.200111.6G48G48-Q50 PolarHBondContact O-N 3.11Å
51Q34.2Very low34.9Very low172 Ų172150.9 Ų150.980%0.80479%0.787SS**  trans4794140.3-56.9-175.5-0.300118.5
52N37.1Very low34.7Very low164 Ų164150 Ų15088%0.87779%0.789SS**  trans-167.9111.9131-111-36.6000111.5Q54N52-Q54 PolarHBondContact O-N 3.18Å; N52-Q54 VanDerWaalsContact O-N 3.16Å
53K36.4Very low34.1Very low188 Ų188150.1 Ų150.182%0.81778%0.784SS**  trans-77.793.5168.5-77.9-178.5176.6179.70108.3F55K53-F55 HydrophobicContact CB-CD2 4.47Å; K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 PolarHBondContact O-N 3.1Å
54Q33.8Very low34.1Very low165 Ų165151.5 Ų151.577%0.77179%0.79SS**  trans-82.1102.7170.3-148.3171.17.900108.2N52 H56N52-Q54 PolarHBondContact O-N 3.18Å; N52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-H56 PolarHBondContact O-N 3.35Å
55F34.8Very low33.6Very low180 Ų180146.6 Ų146.679%0.78978%0.775SS**  trans-77.2104.7173-80-87.2000109.4K53K53-F55 HydrophobicContact CB-CD2 4.47Å; K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 PolarHBondContact O-N 3.1Å
56H28Very low33.5Very low172 Ų172145.7 Ų145.780%0.79677%0.772SS**  trans-76.4114.9157.6-77.4-80.6000108.2Q54Q54-H56 PolarHBondContact O-N 3.35Å
57S28.9Very low33Very low73 Ų73149.4 Ų149.451%0.5178%0.776SS.*  trans-130.795.8169.7-1630000109.8F59S57-F59 PolarHBondContact O-N 3.12Å; S57-F59 WeakPolarHBondContact OG-CD2 2.94Å; S57-F59 WeakPolarHBondContact OG-CE2 2.99Å; S57-F59 WeakPolarHBondContact OG-CZ 3.33Å
58T26.4Very low32.8Very low139 Ų139151.8 Ų151.885%0.85377%0.774SS**  trans-66.7105.5162.820.80000108.5
59F30.2Very low32.4Very low136 Ų136154 Ų15460%0.59678%0.778SS**  trans-108.5101.7172.2-83.6-60.4000110.2S57 Y61S57-F59 PolarHBondContact O-N 3.12Å; S57-F59 WeakPolarHBondContact OG-CD2 2.94Å; S57-F59 WeakPolarHBondContact OG-CE2 2.99Å; S57-F59 WeakPolarHBondContact OG-CZ 3.33Å; F59-Y61 HydrophobicContact CB-CD2 3.82Å; F59-Y61 HydrophobicContact CB-CE2 3.56Å; F59-Y61 HydrophobicContact CD1-CD2 4.14Å; F59-Y61 HydrophobicContact CD1-CE1 4.4Å; F59-Y61 AromaticContact CD1-CE2 3.13Å; F59-Y61 HydrophobicContact CD1-CE2 3.13Å; F59-Y61 AromaticContact CD1-CZ 3.3Å; F59-Y61 WeakPolarHBondContact CD1-OH 3.13Å; F59-Y61 HydrophobicContact CD2-CE2 4.4Å; F59-Y61 AromaticContact CE1-CE2 3.88Å; F59-Y61 HydrophobicContact CE1-CE2 3.88Å; F59-Y61 AromaticContact CE1-CZ 3.67Å; F59-Y61 WeakPolarHBondContact CE1-OH 3.38Å; F59-Y61 HydrophobicContact CG-CD2 4.24Å; F59-Y61 AromaticContact CG-CE2 3.46Å; F59-Y61 HydrophobicContact CG-CE2 3.46Å; F59-Y61 VanDerWaalsContact CG-CE2 3.46Å
60S26.2Very low32Very low113 Ų113155.2 Ų155.279%0.7978%0.776SS**  trans-91.7101.6165.5-51.40000108.3
61Y31.1Very low31.4Very low160 Ų160153.3 Ų153.363%0.62778%0.776SS**  trans-112.188.9172.3-69.5-69.7000110.1F59 L63F59-Y61 HydrophobicContact CB-CD2 3.82Å; F59-Y61 HydrophobicContact CB-CE2 3.56Å; F59-Y61 HydrophobicContact CD1-CD2 4.14Å; F59-Y61 HydrophobicContact CD1-CE1 4.4Å; F59-Y61 AromaticContact CD1-CE2 3.13Å; F59-Y61 HydrophobicContact CD1-CE2 3.13Å; F59-Y61 AromaticContact CD1-CZ 3.3Å; F59-Y61 WeakPolarHBondContact CD1-OH 3.13Å; F59-Y61 HydrophobicContact CD2-CE2 4.4Å; F59-Y61 AromaticContact CE1-CE2 3.88Å; F59-Y61 HydrophobicContact CE1-CE2 3.88Å; F59-Y61 AromaticContact CE1-CZ 3.67Å; F59-Y61 WeakPolarHBondContact CE1-OH 3.38Å; F59-Y61 HydrophobicContact CG-CD2 4.24Å; F59-Y61 AromaticContact CG-CE2 3.46Å; F59-Y61 HydrophobicContact CG-CE2 3.46Å; F59-Y61 VanDerWaalsContact CG-CE2 3.46Å; Y61-L63 HydrophobicContact CD1-CD1 4.34Å; Y61-L63 PolarHBondContact O-N 3.47Å
62N28.9Very low31.1Very low168 Ų168151.5 Ų151.590%0.89877%0.772SS**  trans-86.881159.3-78-29.1000108
63L31.3Very low30.6Very low141 Ų141150.8 Ų150.874%0.73877%0.768SS**  trans-131.497.3170.7-74.2167.6000107.8Y61 P65Y61-L63 HydrophobicContact CD1-CD1 4.34Å; Y61-L63 PolarHBondContact O-N 3.47Å; L63-P65 VanDerWaalsContact O-CD 3.22Å; L63-P65 WeakPolarHBondContact O-CD 3.21Å
64L37.6Very low30.4Very low182 Ų182148.5 Ų148.595%0.95376%0.764SS**  trans-88.4106.1161.1-89.4144.1000107.4
65P30.3Very low30.2Very low94 Ų94148.8 Ų148.861%0.6177%0.77SS**  trans-83.9145.7165.734.2-30.1000109.3L63L63-P65 VanDerWaalsContact O-CD 3.22Å; L63-P65 WeakPolarHBondContact O-CD 3.21Å
66N33.1Very low30.2Very low138 Ų138148.1 Ų148.174%0.73877%0.766SS**  trans84.278158.4-48.9-26.8000117.4
67Q30.5Very low30.4Very low195 Ų195149.2 Ų149.291%0.91177%0.765SS**  trans-110.2105.2145.2-76.4-171.3-8.700109
68W33.7Very low30.5Very low209 Ų209151.1 Ų151.179%0.79279%0.785SS**  trans-121.1119.7163.6-71.658.9000106.9F70W68-F70 AromaticContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CZ 4.15Å; W68-F70 HydrophobicContact CZ3-CZ 4.35Å
69S28.5Very low30.9Very low118 Ų118153.6 Ų153.683%0.82578%0.784SS**  trans-124.6119.5169.547.20000109
70F28.9Very low31Very low185 Ų185156.1 Ų156.181%0.81180%0.795SS**  trans-94.8120.5169.8-76.2-87.8000108.7W68W68-F70 AromaticContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CE2 3.94Å; W68-F70 HydrophobicContact CE3-CZ 4.15Å; W68-F70 HydrophobicContact CZ3-CZ 4.35Å
71T29.6Very low31.5Very low127 Ų127157.4 Ų157.478%0.77979%0.791SS**  trans-104.2110.6161.3420000108.3N73T71-N73 PolarHBondContact O-N 2.83Å
72N28Very low31.6Very low134 Ų134156.9 Ų156.972%0.71780%0.799SS**  trans-90.299.2173-171.6-6.2000108.7N74N72-N74 PolarHBondContact O-N 3.43Å; N72-N74 PolarHBondContact OD1-ND2 3.01Å
73N27.5Very low31.9Very low150 Ų150160 Ų16080%0.80280%0.799SS**  trans-8995.8170.2-79.4-26.5000109.2T71T71-N73 PolarHBondContact O-N 2.83Å
74N30.9Very low31.9Very low139 Ų139159.2 Ų159.274%0.74380%0.803SS**  trans-123.981.9163.8-92.3-33.8000109.4N72N72-N74 PolarHBondContact O-N 3.43Å; N72-N74 PolarHBondContact OD1-ND2 3.01Å
75I30.5Very low31.7Very low172 Ų172160.4 Ų160.488%0.88280%0.801SS**  trans-125.599158.1-59.5178.3000106.7
76K34.2Very low32Very low166 Ų166160.8 Ų160.872%0.72281%0.806SS**  trans-152.6127.1165.7-120.1174.6-176.6-173.90109.7
77Y31.9Very low31.9Very low195 Ų195159.1 Ų159.177%0.76581%0.805SS**  trans84.583.3164.8-50.4-71.2000118.8
78A31.2Very low32.2Very low113 Ų113157.5 Ų157.593%0.93480%0.802SS**  trans-9499.214500000108.8
79K34.2Very low32.1Very low191 Ų191151.9 Ų151.983%0.8380%0.795SS**  trans-137.2110.6164.6-168.9-179.7-170.61790105.7
80K32.7Very low32.4Very low188 Ų188155.2 Ų155.282%0.81779%0.791SS**  trans174.2120.9140.5-98-179.6169.2177.70112.1
81I37.4Very low32.7Very low141 Ų141153.7 Ų153.772%0.72379%0.786SS**  76.1107.7125.6-60.8168.3000117.5
82N33Very low32.9Very low149 Ų149153.6 Ų153.680%0.79778%0.777SS**  trans-30.7136.2150.9-59.6-35.9000114.4
83R34.3Very low33.3Very low233 Ų233154.1 Ų154.188%0.87977%0.773SS**  179131116.3-99.2175.5-170.1-178.23.5112.6
84C31.6Very low33.6Very low124 Ų124157.3 Ų157.384%0.83877%0.774SS**  trans67.4126.9143.2-59.20000121.3
85K33.7Very low33.6Very low207 Ų207159.1 Ų159.190%0.978%0.778SS**  trans-76.9145.9171.3-58.8169.9172.2179.20111.1
86S36.2Very low33.8Very low103 Ų103159.6 Ų159.672%0.7278%0.781SS**  176.5113.8127.258.90000106.8
87S32.4Very low33.7Very low102 Ų102156.8 Ų156.871%0.71378%0.778SS**  56.3105.898.2-41.10000111.7
88D35.6Very low33.6Very low161 Ų161155.7 Ų155.786%0.86178%0.779SS**  -177.3132.5109-82.9-20.9000111.3
89S31.3Very low33.7Very low92 Ų92157.2 Ų157.264%0.64377%0.771SS**  trans-67.4154.9170.857.80000111.4
90Y36.4Very low33.4Very low188 Ų188151.9 Ų151.974%0.73776%0.757SS**  171.7125.8118.9-109.4-93.7000109.7
91Q34.9Very low33.3Very low152 Ų152152.2 Ų152.271%0.7176%0.759SS**  trans60.4149.8145.6-76.1-176.1100117.6
92E34.2Very low33.1Very low125 Ų125151.2 Ų151.258%0.58476%0.759SS**  cis-170138.727-138.8179.4147.300108.5
93K34.9Very low33Very low146 Ų146151.9 Ų151.964%0.63576%0.762SS**  trans52.2123135.1-74.2174.7-158.8159.30121.5
94R33.5Very low32.9Very low216 Ų216148 Ų14882%0.81576%0.759SS**  74.4111.9127-64.6175.2179.2-150.9-1117.6
95Q32.8Very low32.9Very low178 Ų178151.6 Ų151.683%0.83276%0.761SS**  176.7104.1103.1-92.4176.231.200109.2
96L32.6Very low32.7Very low182 Ų182146.3 Ų146.395%0.95375%0.75SS**  trans-89108.5155.6-88.9160.5000105.7
97V33.9Very low32.6Very low106 Ų106149.1 Ų149.164%0.64276%0.756SS**  trans-112106.8164.3175.90000107.2I99V97-I99 HydrophobicContact CG1-CG1 4.19Å; V97-I99 PolarHBondContact O-N 3.24Å
98E29.4Very low32.7Very low172 Ų172152.6 Ų152.680%0.80476%0.759SS**  trans-52.2115.1159.6-171.3177.2-170.200110.1
99I32.3Very low32.5Very low146 Ų146152.1 Ų152.175%0.74975%0.753SS**  trans-116.989.8161-58.7-179.9000106.6V97V97-I99 HydrophobicContact CG1-CG1 4.19Å; V97-I99 PolarHBondContact O-N 3.24Å
100S29.1Very low32.5Very low78 Ų78151.5 Ų151.555%0.54575%0.749SS.*  trans-68.7153.7156.154.20000109.6
101K30.1Very low32.5Very low195 Ų195148 Ų14885%0.84875%0.747SS**  trans7487.4165.4-56.7175.6179.3175.50118
102V32.9Very low32.4Very low120 Ų120148.3 Ų148.373%0.72775%0.754SS**  trans-142.369.1138.8-165.30000109.8
103N31.7Very low32.5Very low163 Ų163147 Ų14787%0.87276%0.758SS**  trans-93.589.4158.6-86-9.6000107.1
104N30.6Very low32.5Very low151 Ų151147.3 Ų147.381%0.80777%0.767SS**  trans-164.771.6163.4-96.4-22000108.7S106N104-S106 PolarHBondContact O-N 3.41Å
105F32.7Very low32.8Very low201 Ų201142.1 Ų142.188%0.88276%0.764SS**  trans-88.695.1158.5-92.3-81.9000107.5L107F105-L107 PolarHBondContact O-N 2.97Å
106S29.9Very low33Very low96 Ų96140.8 Ų140.867%0.67176%0.762SS**  trans-61120164.759.50000108.3N104 F108N104-S106 PolarHBondContact O-N 3.41Å; S106-F108 PolarHBondContact O-N 3.34Å
107L33.7Very low33Very low161 Ų161137.3 Ų137.384%0.84375%0.753SS**  trans-56.5102.8163.7-92.492.1000108.6F105 M109F105-L107 PolarHBondContact O-N 2.97Å; L107-M109 PolarHBondContact O-N 3.43Å
108F33.4Very low33.4Very low176 Ų176137.6 Ų137.677%0.77276%0.76SS**  trans-89.290.6167.5-142.7-103.9000107.9S106 S110S106-F108 PolarHBondContact O-N 3.34Å; F108-S110 WeakPolarHBondContact CD1-OG 3.42Å; F108-S110 WeakPolarHBondContact CE1-OG 3.33Å; F108-S110 PolarHBondContact O-N 3.1Å
109M31.7Very low33.9Very low150 Ų150136.5 Ų136.574%0.73976%0.76SS**  trans-80.188165.1-79-98.552.600108.2L107L107-M109 PolarHBondContact O-N 3.43Å
110S31.6Very low34.1Very low79 Ų79138.3 Ų138.355%0.55277%0.765SS**  trans-93.797.8165.5-69.50000109.8F108 N112F108-S110 WeakPolarHBondContact CD1-OG 3.42Å; F108-S110 WeakPolarHBondContact CE1-OG 3.33Å; F108-S110 PolarHBondContact O-N 3.1Å; S110-N112 PolarHBondContact O-N 3.25Å
111T35.9Very low34.5Very low116 Ų116141.7 Ų141.771%0.71278%0.782SS**  trans-66.4116.2156.947.40000108S113T111-S113 PolarHBondContact O-N 3.28Å; T111-S113 VanDerWaalsContact O-N 3.1Å
112N34.2Very low34.9Very low158 Ų158141.5 Ų141.585%0.84578%0.781SS**  trans-73.198.2176.3-140.92.2000108.3S110 N114S110-N112 PolarHBondContact O-N 3.25Å; N112-N114 PolarHBondContact O-N 3.35Å
113S36.4Very low35Very low97 Ų97144.3 Ų144.368%0.67879%0.786SS**  trans-85.896.9172.1-51.10000108.3T111 S115T111-S113 PolarHBondContact O-N 3.28Å; T111-S113 VanDerWaalsContact O-N 3.1Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 VanDerWaalsContact O-N 3.12Å
114N34.9Very low35.3Very low153 Ų153146.2 Ų146.282%0.81879%0.79SS**  trans-74.894.9168.3-112.60.2000108.6N112N112-N114 PolarHBondContact O-N 3.35Å
115S38.4Very low35.6Very low107 Ų107144 Ų14475%0.74878%0.781SS**  trans-95.3111.3165.754.20000109.1S113S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 VanDerWaalsContact O-N 3.12Å
116N37.6Very low36.1Very low150 Ų150140.6 Ų140.680%0.80277%0.771SS**  trans-72.8131.2167.5-82.4-20.5000110.5
117S33.9Very low36.7Very low109 Ų109144.7 Ų144.776%0.76278%0.779SS**  trans-2.5128.2155.162.10000118.9
118S40.3Very low36.9Very low111 Ų111144.3 Ų144.378%0.77678%0.778SS**  -164.7122.4111.661.40000111.6
119N40.7Very low37.5Very low150 Ų150145.6 Ų145.680%0.80278%0.783SS**  trans27.7115.5145.3-59.8-23.4000120.7
120Q36.3Very low37.6Very low184 Ų184149.7 Ų149.786%0.8679%0.79SS**  30121.3129.8-55.3-167.36.700118.1
121V37.3Very low38.2Very low148 Ų148152.1 Ų152.190%0.89780%0.802SS**  -164.6141.8116.1164.30000110.3
122K39.1Very low38.7Very low192 Ų192155.8 Ų155.884%0.83581%0.808SS**  trans-37.3144.8-178.8-77.5164.8168.1173.20119.4
123H34.7Very low38.8Very low178 Ų178154.6 Ų154.682%0.82481%0.807SS**  trans-25.8132.8153.5-63-92.1000117.1
124Q37.6Very low39.3Very low204 Ų204155.9 Ų155.995%0.95381%0.813SS**  trans-150.5147.1137.1-149.2157.428.200111.6
125T37.2Very low39.3Very low104 Ų104154.9 Ų154.964%0.63881%0.812SS**  trans-121.1138.6-152.1-77.20000109.6
126I42.5Very low39.6Very low129 Ų129155.9 Ų155.966%0.66281%0.814SS**  trans67.1121.4155.4-59.9162000117.8
127H44.1Very low39.5Very low182 Ų182153.8 Ų153.884%0.84381%0.812SS**  -169.3122.1106.4-99.3-67.2000113.3
128N37.9Very low39.9Very low153 Ų153160.2 Ų160.282%0.81882%0.819SS**  trans-73.5128.7175.3-144-9.1000109.5
129K44.4Very low39.6Very low203 Ų203161 Ų16188%0.88382%0.819SS**  trans-137.1125.6161.2-82.8-168.1-179.8177.30112.1
130R34.6Very low39.6Very low236 Ų236162.5 Ų162.589%0.89182%0.821SS**  trans-91.4131.2-172.9179.2-173.3-164.7175.35109.7
131T44.5Very low39.6Very low130 Ų130160.5 Ų160.580%0.79882%0.821SS**  trans-151.393.4165.12.50000108.1
132K46.2Very low39.9Very low194 Ų194163.6 Ų163.684%0.84382%0.817SS**  69.6101.9101.7-73.6-171.9179.8-177.60113.9
133T37.4Very low40.2Very low133 Ų133162.4 Ų162.482%0.81681%0.814SS**  trans-75.9154.7164.743.70000112.2
134P45Very low40.6Very low124 Ų124158.6 Ų158.681%0.80581%0.805SS**  trans-115.6134.8145.932.6-20000111.8
135T35.8Very low41.1Very low131 Ų131154 Ų15480%0.80479%0.787SS**  trans-73.5129.4175.7-38.80000110.6
136T43.7Very low41.3Very low129 Ų129156.3 Ų156.379%0.79179%0.79SS**  trans-164117.4145.3-7.20000113
137S36.8Very low41.3Very low106 Ų106157.4 Ų157.474%0.74179%0.792SS**  trans21122.6147.159.70000120.5
138R41.4Very low41.2Very low244 Ų244155.3 Ų155.392%0.92179%0.787SS**  -172.3132.4109-161166.3174.6-177.9-3.8110.6E140R138-E140 PolarHBondContact O-N 3.48Å
139T33.7Very low41.5Very low127 Ų127153.9 Ų153.978%0.77978%0.775SS**  trans-64.9115.8178.7-34.70000110.9
140E41.2Very low41.5Very low182 Ų182148.5 Ų148.585%0.8576%0.759SS**  trans-132.9115.2156.1-89.6-171.4174.500108.5R138 R142R138-E140 PolarHBondContact O-N 3.48Å; E140-R142 PolarHBondContact O-N 3.1Å
141V36.9Very low42Very low141 Ų141143.1 Ų143.186%0.85575%0.747SS**  trans-67.898.4174.2176.60000107
142R42.4Very low42.3Very low214 Ų214144.4 Ų144.481%0.80874%0.742SS**  trans-100110.3177.3-156.4173.1-174.8175.11.8108.9E140E140-R142 PolarHBondContact O-N 3.1Å
143E46.2Very low42.6Very low167 Ų167140.2 Ų140.278%0.7873%0.729SS**  trans-47.5152.1173.7-88.2-170.114200113.2L145E143-L145 PolarHBondContact O-N 3.14Å
144P43.4Very low43.4Very low98 Ų98136.8 Ų136.864%0.63671%0.714SS**  trans-72.5106.9-170.829.6-32.4000111.3H146P144-H146 PolarHBondContact O-N 3.35Å
145L47.1Very low43.9Very low108 Ų108137.6 Ų137.657%0.56571%0.707SS**THydrogen-bonded Turntrans-55.81170.7-108.9149000115.3E143E143-L145 PolarHBondContact O-N 3.14Å
146H41.9Very low44.9Very low151 Ų151136.2 Ų136.270%0.69970%0.695SS**Hα-helixtrans-79.2-14.5-174.5-89.9-73.5000115.5P144 T150P144-H146 PolarHBondContact O-N 3.35Å; H146-T150 PolarHBondContact O-OG1 3.17Å
147Q42.1Very low45.3Very low153 Ų153133 Ų13372%0.71568%0.681SS**Hα-helixtrans-89.2-22.6-179.5-75.3-177.2-0.500114T150Q147-T150 WeakPolarHBondContact CA-OG1 3.46Å; Q147-T150 PolarHBondContact O-OG1 3.28Å
148L43.2Very low45.9Very low138 Ų138137 Ų13772%0.72368%0.68SS**Hα-helixtrans-83-29-178.7-142.577.9000112.7
149E43.5Very low46.1Very low122 Ų122133.9 Ų133.957%0.5767%0.669SS**Hα-helixtrans-76.2-27.4175.2-76.1-178.1156.400112.8N153E149-N153 WeakPolarHBondContact O-CB 3.38Å; E149-N153 VanDerWaalsContact O-CG 3.23Å; E149-N153 PolarHBondContact O-N 3.25Å; E149-N153 VanDerWaalsContact O-N 3.15Å; E149-N153 PolarHBondContact O-ND2 2.97Å; E149-N153 VanDerWaalsContact O-ND2 3.16Å
150T44.5Very low47Very low91 Ų91132.3 Ų132.356%0.55866%0.655SS**Hα-helixtrans-71.5-35.8179.712.30000112.4H146 Q147 A154H146-T150 PolarHBondContact O-OG1 3.17Å; Q147-T150 WeakPolarHBondContact CA-OG1 3.46Å; Q147-T150 PolarHBondContact O-OG1 3.28Å; T150-A154 PolarHBondContact O-N 3.19Å
151L44.5Very low47.3Very low122 Ų122131.5 Ų131.564%0.63965%0.645SS**Hα-helixtrans-70.4-41.2176-85.1160.1000112.5N153 A154 E155L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.78Å; L151-A154 PolarHBondContact O-N 3.41Å; L151-E155 PolarHBondContact O-N 2.91Å
152K51.4Low47.7Very low158 Ų158129.4 Ų129.469%0.68763%0.628SS**Hα-helixtrans-63.8-34.2174.7-97-178.4174.5179.40113N156K152-N156 PolarHBondContact O-N 3.49Å
153N52.7Low48.1Very low106 Ų106122 Ų12257%0.56761%0.607SS**Hα-helixtrans-73.9-31.6178.3-74.3-23.2000113E149 L151 A157E149-N153 WeakPolarHBondContact O-CB 3.38Å; E149-N153 VanDerWaalsContact O-CG 3.23Å; E149-N153 PolarHBondContact O-N 3.25Å; E149-N153 VanDerWaalsContact O-N 3.15Å; E149-N153 PolarHBondContact O-ND2 2.97Å; E149-N153 VanDerWaalsContact O-ND2 3.16Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 2.78Å; N153-A157 WeakPolarHBondContact O-CB 3.39Å; N153-A157 PolarHBondContact O-N 2.68Å
154A54.3Low48Very low61 Ų61122.5 Ų122.550%0.50460%0.602SS.*Hα-helixtrans-69.6-40.6177.600000112.5T150 L151 A157 R158T150-A154 PolarHBondContact O-N 3.19Å; L151-A154 PolarHBondContact O-N 3.41Å; A154-A157 PolarHBondContact O-N 3.32Å; A154-R158 PolarHBondContact O-N 3.19Å; A154-R158 VanDerWaalsContact O-N 3.12Å
155E54.9Low48.1Very low140 Ų140123 Ų12365%0.65460%0.596SS**Hα-helixtrans-68.8-39.7176.4-69.8-176.8160.200112L151 A157 R158 Y159L151-E155 PolarHBondContact O-N 2.91Å; E155-A157 PolarHBondContact O-N 3.05Å; E155-R158 PolarHBondContact O-N 3.31Å; E155-Y159 PolarHBondContact O-N 3.08Å
156N57.9Low48.1Very low103 Ų103122 Ų12255%0.55159%0.594SS**Hα-helixtrans-64.5-39174.8-113.1-2.9000112.4K152 R158 Y159 I160K152-N156 PolarHBondContact O-N 3.49Å; N156-R158 VanDerWaalsContact C-N 3.31Å; N156-R158 PolarHBondContact O-N 3.19Å; N156-Y159 PolarHBondContact O-N 2.79Å; N156-I160 VanDerWaalsContact O-CG1 3.3Å; N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.23Å
157A51.8Low48.2Very low61 Ų61121.7 Ų121.750%0.50459%0.593SS.*Hα-helixtrans-64.8-37.1175.700000112N153 A154 E155 W161N153-A157 WeakPolarHBondContact O-CB 3.39Å; N153-A157 PolarHBondContact O-N 2.68Å; A154-A157 PolarHBondContact O-N 3.32Å; E155-A157 PolarHBondContact O-N 3.05Å; A157-W161 WeakPolarHBondContact O-CB 3.38Å; A157-W161 PolarHBondContact O-N 3.49Å
158R49.1Very low48.2Very low191 Ų191125.2 Ų125.272%0.72160%0.599SS**Hα-helixtrans-68.4-41177.3-149.9178.1-179.9-161.7-0.7111.7A154 E155 N156 W161 L162A154-R158 PolarHBondContact O-N 3.19Å; A154-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 PolarHBondContact O-N 3.31Å; N156-R158 VanDerWaalsContact C-N 3.31Å; N156-R158 PolarHBondContact O-N 3.19Å; R158-W161 PolarHBondContact O-N 2.93Å; R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CD1 3.31Å; R158-L162 WeakPolarHBondContact O-CD1 3.24Å; R158-L162 PolarHBondContact O-N 3.41Å; R158-L162 VanDerWaalsContact O-N 3.09Å
159Y45.2Very low48Very low177 Ų177122.5 Ų122.569%0.69459%0.592SS**Hα-helixtrans-61.6-50.1173.8-119.3-91.3000111.2E155 N156 W161 L162 T163E155-Y159 PolarHBondContact O-N 3.08Å; N156-Y159 PolarHBondContact O-N 2.79Å; Y159-W161 VanDerWaalsContact C-N 3.3Å; Y159-W161 PolarHBondContact O-N 3.49Å; Y159-L162 PolarHBondContact O-N 2.86Å; Y159-T163 PolarHBondContact O-N 2.74Å; Y159-T163 PolarHBondContact O-OG1 3.45Å
160I52.9Low47.8Very low94 Ų94121 Ų12148%0.48259%0.591SS.*Hα-helixtrans-61.7-36.6-180-65.5166.4000112.2N156 R164N156-I160 VanDerWaalsContact O-CG1 3.3Å; N156-I160 WeakPolarHBondContact O-CG1 3.31Å; N156-I160 PolarHBondContact O-N 3.23Å; I160-R164 WeakPolarHBondContact O-CB 3.35Å; I160-R164 WeakPolarHBondContact O-CG 3.12Å; I160-R164 PolarHBondContact O-N 2.8Å
161W47.1Very low47.5Very low165 Ų165121.6 Ų121.663%0.62560%0.597SS**Hα-helixtrans-66.7-44.8176.9-170.288000111.7A157 R158 Y159 R164 Q165A157-W161 WeakPolarHBondContact O-CB 3.38Å; A157-W161 PolarHBondContact O-N 3.49Å; R158-W161 PolarHBondContact O-N 2.93Å; Y159-W161 VanDerWaalsContact C-N 3.3Å; Y159-W161 PolarHBondContact O-N 3.49Å; W161-R164 PolarHBondContact O-N 3.29Å; W161-Q165 HydrophobicContact CD2-CG 4.26Å; W161-Q165 HydrophobicContact CE3-CG 4.25Å; W161-Q165 HydrophobicContact CH2-CG 4.27Å; W161-Q165 HydrophobicContact CZ2-CG 4.27Å; W161-Q165 HydrophobicContact CZ3-CG 4.25Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.38Å; W161-Q165 PolarHBondContact O-N 3.28Å; W161-Q165 VanDerWaalsContact O-N 3.12Å
162L46.1Very low47.1Very low97 Ų97121.2 Ų121.251%0.50860%0.599SS.*Hα-helixtrans-63-42.8174.6-96.5106.9000112.3R158 Y159 R164 Q165 T166R158-L162 HydrophobicContact CG-CD1 4.35Å; R158-L162 VanDerWaalsContact O-CD1 3.31Å; R158-L162 WeakPolarHBondContact O-CD1 3.24Å; R158-L162 PolarHBondContact O-N 3.41Å; R158-L162 VanDerWaalsContact O-N 3.09Å; Y159-L162 PolarHBondContact O-N 2.86Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 3.36Å; L162-T166 PolarHBondContact O-N 2.88Å; L162-T166 PolarHBondContact O-OG1 3.44Å
163T50.7Low46.5Very low59 Ų59120.9 Ų120.936%0.36260%0.604SS.*Hα-helixtrans-66.6-33.6179.3-26.80000111.9Y159 T166 Q167Y159-T163 PolarHBondContact O-N 2.74Å; Y159-T163 PolarHBondContact O-OG1 3.45Å; T163-T166 WeakPolarHBondContact CA-OG1 3.37Å; T163-T166 PolarHBondContact O-OG1 3.19Å; T163-Q167 WeakPolarHBondContact O-CB 3.41Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.48Å; T163-Q167 PolarHBondContact O-N 2.79Å
164R43.8Very low45.7Very low178 Ų178120.4 Ų120.467%0.67261%0.609SS**Hα-helixtrans-70.8-31.2174.7-79.8-178.1172.5-136-1113.4I160 W161 L162I160-R164 WeakPolarHBondContact O-CB 3.35Å; I160-R164 WeakPolarHBondContact O-CG 3.12Å; I160-R164 PolarHBondContact O-N 2.8Å; W161-R164 PolarHBondContact O-N 3.29Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.95Å
165Q46.1Very low45.1Very low109 Ų109126.4 Ų126.451%0.50963%0.627SS.*Hα-helixtrans-75.4-37.8174.6-68.8-70.6-15.800111.9W161 L162 S169W161-Q165 HydrophobicContact CD2-CG 4.26Å; W161-Q165 HydrophobicContact CE3-CG 4.25Å; W161-Q165 HydrophobicContact CH2-CG 4.27Å; W161-Q165 HydrophobicContact CZ2-CG 4.27Å; W161-Q165 HydrophobicContact CZ3-CG 4.25Å; W161-Q165 VanDerWaalsContact O-CG 3.32Å; W161-Q165 WeakPolarHBondContact O-CG 3.38Å; W161-Q165 PolarHBondContact O-N 3.28Å; W161-Q165 VanDerWaalsContact O-N 3.12Å; L162-Q165 PolarHBondContact O-N 3.36Å; Q165-S169 PolarHBondContact O-OG 3.48Å
166T45.6Very low44.5Very low85 Ų85127.7 Ų127.752%0.52163%0.633SS.*Hα-helixtrans-77.2-27.9178.6320000113.7L162 T163 S169L162-T166 PolarHBondContact O-N 2.88Å; L162-T166 PolarHBondContact O-OG1 3.44Å; T163-T166 WeakPolarHBondContact CA-OG1 3.37Å; T163-T166 PolarHBondContact O-OG1 3.19Å; T166-S169 PolarHBondContact O-OG 2.95Å
167Q44.1Very low43.5Very low146 Ų146133.8 Ų133.868%0.68265%0.648SS**SBendtrans-80.8-12.2174.7-72.6-1755.500114.5T163T163-Q167 WeakPolarHBondContact O-CB 3.41Å; T163-Q167 VanDerWaalsContact O-CG 3.31Å; T163-Q167 WeakPolarHBondContact O-CG 3.48Å; T163-Q167 PolarHBondContact O-N 2.79Å
168R43.7Very low43.1Very low226 Ų226139.4 Ų139.485%0.85366%0.664SS**SBendtrans-98.4-9.4177.4-78.8-175.7167-167.8-4.2114.1
169S38.3Very low42.5Very low81 Ų81141 Ų14157%0.56667%0.671SS**SBendtrans-1030.4-174.742.40000114.2Q165 T166Q165-S169 PolarHBondContact O-OG 3.48Å; T166-S169 PolarHBondContact O-OG 2.95Å
170T38.5Very low42.1Very low90 Ų90136 Ų13655%0.55267%0.674SS**SBendtrans-103.4110.6169.147.70000109.4V172T170-V172 PolarHBondContact O-N 3.01Å
171P37.7Very low41.3Very low105 Ų105142.5 Ų142.568%0.68269%0.692SS**  trans-63.9108.5164.727.3-29.8000106.3L173P171-L173 PolarHBondContact O-N 3.25Å
172V36.7Very low41.2Very low113 Ų113141 Ų14169%0.68570%0.695SS**  trans-64.290.7169.9174.10000106.8T170 S174T170-V172 PolarHBondContact O-N 3.01Å; V172-S174 WeakPolarHBondContact CG1-OG 3.35Å; V172-S174 PolarHBondContact O-N 3.12Å
173L39.9Very low41.1Very low152 Ų152143.1 Ų143.180%0.79671%0.707SS**THydrogen-bonded Turntrans-69.640.2177.2-87.3162.6000112.4P171P171-L173 PolarHBondContact O-N 3.25Å
174S35.5Very low41.2Very low95 Ų95146.8 Ų146.866%0.66472%0.724SS**THydrogen-bonded Turntrans-137.917.8-172.364.20000116.9V172V172-S174 WeakPolarHBondContact CG1-OG 3.35Å; V172-S174 PolarHBondContact O-N 3.12Å
175Q42.3Very low41.5Very low188 Ų188145 Ų14588%0.87973%0.726SS**  trans-123.318171-113.4175.812.500115.5R177Q175-R177 PolarHBondContact O-N 3.43Å
176E41.1Very low41.2Very low166 Ų166143.9 Ų143.978%0.77673%0.73SS**  trans-78.836.3177.1-154.6178177.900114
177R36.9Very low41.3Very low231 Ų231146 Ų14687%0.87274%0.743SS**SBendtrans-131.488.6168.7-68.1-167.4-160.1-178.96.7108.7Q175Q175-R177 PolarHBondContact O-N 3.43Å
178Q43.1Very low41.3Very low180 Ų180145 Ų14584%0.84174%0.738SS**SBendtrans164.1-2141.7-92.2165.9-2100116
179Y37.7Very low41.4Very low224 Ų224145.6 Ų145.688%0.87874%0.74SS**SBendtrans-118.2121.7173.8-68.8-81.5000110.8
180G35.4Very low41.8Very low72 Ų72145.2 Ų145.274%0.74275%0.749SS**  trans-57.1142.8-162.100000115I182G180-I182 PolarHBondContact O-N 3.38Å
181R37.3Very low41.7Very low231 Ų231148 Ų14887%0.87276%0.756SS**  trans24.183158.9-80-176.7165.6169.2-4.7114.1N183R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 3.02Å
182I45.5Very low41.9Very low133 Ų133148.1 Ų148.168%0.68276%0.759SS**  trans-65.4103.4153.6-59.4173.7000104.9G180 L184G180-I182 PolarHBondContact O-N 3.38Å; I182-L184 HydrophobicContact CG2-CD2 4.15Å; I182-L184 HydrophobicContact CG2-CG 4.49Å; I182-L184 PolarHBondContact O-N 3.4Å
183N44.1Very low42.5Very low141 Ų141148.8 Ų148.875%0.75477%0.766SS**  trans-63.988169.5-78.5-19.7000107.5R181 I185R181-N183 VanDerWaalsContact C-N 3.32Å; R181-N183 PolarHBondContact O-N 3.02Å; N183-I185 PolarHBondContact O-N 2.86Å
184L51.9Low42.5Very low137 Ų137146.6 Ų146.672%0.71776%0.764SS**  trans-60.7119.2167.8-64.6169.4000106.6I182I182-L184 HydrophobicContact CG2-CD2 4.15Å; I182-L184 HydrophobicContact CG2-CG 4.49Å; I182-L184 PolarHBondContact O-N 3.4Å
185I49.5Very low42.9Very low141 Ų141153.9 Ų153.972%0.72378%0.776SS**SBendtrans78.297.1170.7-47.9155.9000112.7N183 T187N183-I185 PolarHBondContact O-N 2.86Å; I185-T187 PolarHBondContact O-N 3.41Å
186S41.1Very low42.8Very low84 Ų84156.3 Ų156.359%0.58778%0.777SS**  trans-50.3121.9157.8169.30000108.9H188S186-H188 PolarHBondContact O-N 3.36Å; S186-H188 VanDerWaalsContact O-N 3.1Å; S186-H188 PolarHBondContact OG-N 3.3Å; S186-H188 VanDerWaalsContact OG-N 3.14Å
187T47.4Very low42.6Very low131 Ų131151.8 Ų151.880%0.80478%0.775SS**SBendtrans-63.4-4.5171.243.70000113I185 R189I185-T187 PolarHBondContact O-N 3.41Å; T187-R189 PolarHBondContact O-N 3.46Å
188H44.2Very low42.7Very low123 Ų123149.7 Ų149.757%0.56978%0.776SS**  trans-96.167.5175.1-65-80.9000111.1S186 G190 E191S186-H188 PolarHBondContact O-N 3.36Å; S186-H188 VanDerWaalsContact O-N 3.1Å; S186-H188 PolarHBondContact OG-N 3.3Å; S186-H188 VanDerWaalsContact OG-N 3.14Å; H188-G190 PolarHBondContact O-N 2.89Å; H188-E191 IonicContact CE1-OE2 3.55Å; H188-E191 IonicContact CG-OE2 3.39Å; H188-E191 IonicContact ND1-OE2 2.68Å; H188-E191 PolarHBondContact ND1-OE2 3.23Å
189R44.6Very low42.3Very low239 Ų239146.5 Ų146.590%0.90277%0.773SS**SBendtrans-73.2103.2158.4-89.5-174.9171.8-179.8-1.1108.2T187T187-R189 PolarHBondContact O-N 3.46Å
190G46.9Very low42.3Very low73 Ų73144.5 Ų144.575%0.75377%0.772SS**SBendtrans110.19.4157.200000118.3H188 S192H188-G190 PolarHBondContact O-N 2.89Å; G190-S192 PolarHBondContact O-N 3.3Å
191E37.4Very low42.2Very low148 Ų148148.2 Ų148.269%0.69278%0.78SS**PPolyproline II helixtrans-82.5117.3172.9-74.6179.215300110.9H188H188-E191 IonicContact CE1-OE2 3.55Å; H188-E191 IonicContact CG-OE2 3.39Å; H188-E191 IonicContact ND1-OE2 2.68Å; H188-E191 PolarHBondContact ND1-OE2 3.23Å
192S41.6Very low42.2Very low108 Ų108142 Ų14276%0.75577%0.773SS**PPolyproline II helixtrans-65.9140.2174.3-59.30000109.5G190 S194G190-S192 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact O-N 3.08Å
193P48.2Very low41.7Very low127 Ų127142.9 Ų142.983%0.82578%0.784SS**PPolyproline II helixtrans-58.6117.1-180-17.828.5000109.8R195P193-R195 PolarHBondContact O-N 2.81Å; P193-R195 VanDerWaalsContact O-N 3.14Å
194S40.6Very low41.4Very low107 Ų107140 Ų14075%0.74878%0.78SS**  trans-60.9115.5175.9-177.20000109.4S192 R196S192-S194 PolarHBondContact O-N 3.08Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.36Å
195R43.8Very low40.7Very low248 Ų248144.9 Ų144.994%0.93679%0.789SS**SBendtrans-72.577.4171.8-83.4-174173.9-160-0.7109.7P193P193-R195 PolarHBondContact O-N 2.81Å; P193-R195 VanDerWaalsContact O-N 3.14Å
196R40.4Very low40.5Very low238 Ų238141.8 Ų141.890%0.89878%0.784SS**  trans-169.3120.5160.9-113.5177.8-166.7-149.52.8109.3S194S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.36Å
197G37.2Very low40.5Very low71 Ų71145 Ų14573%0.73279%0.79SS**  trans135.585.2161.800000114.1
198Q38Very low40.5Very low188 Ų188145 Ų14588%0.87978%0.781SS**  trans63.1118.5137.1-56.9-161.6-13.700119.7
199S34.6Very low40.5Very low113 Ų113149.9 Ų149.979%0.7979%0.794SS**  trans-53.8122.4158.646.80000112.4
200E37.6Very low40.4Very low182 Ų182142.2 Ų142.285%0.8579%0.789SS**  trans-124.8105.1147.7-73.8-173.4178.300108S202E200-S202 PolarHBondContact O-N 2.68Å; E200-S202 VanDerWaalsContact O-N 3.15Å
201T33.5Very low40.2Very low150 Ų150141.2 Ų141.292%0.9278%0.779SS**  trans-54.9107.5161.434.20000109.3
202S37.8Very low41Very low101 Ų101140 Ų14071%0.70678%0.777SS**  trans-135.8106160.3-177.50000109.1E200 A204E200-S202 PolarHBondContact O-N 2.68Å; E200-S202 VanDerWaalsContact O-N 3.15Å; S202-A204 PolarHBondContact O-N 2.98Å
203T35Very low41.4Very low151 Ų151139.6 Ų139.693%0.92676%0.762SS**  trans-60.576.6164.944.60000109.8
204A38.8Very low41.7Very low80 Ų80137.1 Ų137.166%0.66174%0.741SS**  trans-100.2106164.800000107.8S202 A206S202-A204 PolarHBondContact O-N 2.98Å; A204-A206 PolarHBondContact O-N 2.94Å
205R36.2Very low42.4Very low239 Ų239135 Ų13590%0.90272%0.724SS**  trans-43.8104.3159.5-85.9173.5161.7147.6-6108E207R205-E207 PolarHBondContact O-N 2.94Å
206A45.4Very low43Very low77 Ų77127 Ų12764%0.63670%0.697SS**  trans-71.787.1165.500000106.8A204 H208A204-A206 PolarHBondContact O-N 2.94Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-CD2 3.09Å; A206-H208 VanDerWaalsContact O-CD2 3.22Å; A206-H208 PolarHBondContact O-N 3.21Å
207E41.9Very low43.8Very low151 Ų151123.4 Ų123.471%0.70669%0.692SS**  trans-56.2103.3159-73.9-174.9167.700107.1R205 R209R205-E207 PolarHBondContact O-N 2.94Å; E207-R209 PolarHBondContact O-N 3.31Å
208H47.5Very low44.7Very low132 Ų132123.2 Ų123.261%0.61168%0.675SS**  trans-70.871173-76.5-94.1000109.6A206 G210 N214A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-CD2 3.09Å; A206-H208 VanDerWaalsContact O-CD2 3.22Å; A206-H208 PolarHBondContact O-N 3.21Å; H208-G210 PolarHBondContact O-N 2.74Å; H208-N214 PolarHBondContact ND1-OD1 3.47Å
209R42.9Very low45.4Very low224 Ų224119.9 Ų119.985%0.84567%0.672SS**SBendtrans-86.387.2165.6-85-174.1170.5-152.5-0.4108.6E207 G211E207-R209 PolarHBondContact O-N 3.31Å; R209-G211 PolarHBondContact O-N 3.03Å
210G43.1Very low46.6Very low78 Ų78118.4 Ų118.480%0.80467%0.674SS**SBendtrans78.517.1159.200000118.2H208H208-G210 PolarHBondContact O-N 2.74Å
211G42.4Very low47.7Very low52 Ų52115.9 Ų115.954%0.53667%0.671SS.*  trans-78.6127.9174.400000112.6R209 F213R209-G211 PolarHBondContact O-N 3.03Å; G211-F213 PolarHBondContact O-N 3.03Å
212L54.8Low48.9Very low123 Ų123115.7 Ų115.764%0.64466%0.658SS**SBendtrans-58.7-7.3-179.8-98.6107.9000115.7
213F49.8Very low50Low100 Ų100114.8 Ų114.844%0.43966%0.657SS.*  trans-137.4121.8-172.1-53.7-83.5000111.2G211 I228G211-F213 PolarHBondContact O-N 3.03Å; F213-I228 HydrophobicContact CD1-CG1 4.47Å; F213-I228 HydrophobicContact CE1-CB 4.01Å; F213-I228 HydrophobicContact CE1-CG1 4.06Å; F213-I228 HydrophobicContact CE1-CG2 3.86Å
214N54.5Low51.5Low74 Ų74111 Ų11140%0.39664%0.635SS.*EExtended strand (participates in β ladder)trans-89.4121166.4-75.6-20.7000108.7H208H208-N214 PolarHBondContact ND1-OD1 3.47Å
215V54.7Low52.6Low63 Ų63112.1 Ų112.138%0.38262%0.623SS.*EExtended strand (participates in β ladder)trans-87.5111.8171.2-177.70000107.7M217 Y226V215-M217 HydrophobicContact CG1-CE 4.22Å; V215-Y226 HydrophobicContact CG2-CD1 3.94Å; V215-Y226 HydrophobicContact CG2-CE1 3.68Å
216H57.4Low54.1Low81 Ų81108.1 Ų108.138%0.37561%0.609SS.*EExtended strand (participates in β ladder)trans-91.4105.2171.9-81.5-17.8000110.3N218 Y225H216-N218 PolarHBondContact O-N 3.16Å; H216-Y225 HydrophobicContact CB-CE1 4.16Å
217M56.9Low55Low162 Ų162105.2 Ų105.280%0.79858%0.582SS**  trans-7592166.2-65.1-77.7179.100107.9V215V215-M217 HydrophobicContact CG1-CE 4.22Å
218N55.1Low56.2Low67 Ų67102 Ų10236%0.35857%0.569SS.*  trans-75.2134.1172.1-85.7-12000110.1H216 G220 K222H216-N218 PolarHBondContact O-N 3.16Å; N218-G220 PolarHBondContact O-N 2.99Å; N218-G220 VanDerWaalsContact O-N 3.1Å; N218-K222 HydrophobicContact CB-CB 4.33Å
219S53.6Low56.7Low117 Ų11799 Ų9982%0.81856%0.555SS**SBendtrans-59.4110.5174.643.80000111.3T221S219-T221 PolarHBondContact O-N 3.41Å; S219-T221 VanDerWaalsContact O-N 3.11Å
220G59Low57.5Low82 Ų8292.7 Ų92.785%0.84554%0.543SS*.SBendtrans84.1-25.3148.200000119.9N218N218-G220 PolarHBondContact O-N 2.99Å; N218-G220 VanDerWaalsContact O-N 3.1Å
221T61.8Low58.4Low129 Ų12994 Ų9479%0.79153%0.528SS*.SBendtrans-135.1-7.5-170.756.40000116.6S219S219-T221 PolarHBondContact O-N 3.41Å; S219-T221 VanDerWaalsContact O-N 3.11Å
222K58Low59.4Low146 Ų14698 Ų9864%0.63553%0.527SS*.SBendtrans-126.9137.2-176.1-66.8179.6-177.9176.40110.1N218N218-K222 HydrophobicContact CB-CB 4.33Å
223A60.4Low59.6Low82 Ų8295.8 Ų95.868%0.67852%0.516SS*.  trans-57.8142.5173.200000109.9Y225A223-Y225 PolarHBondContact O-N 3.12Å
224P67.6Low60Low73 Ų7394 Ų9447%0.47452%0.516SS..  trans-57.7136.4173.825.2-33000109.1
225Y61.3Low60Low103 Ų10396.3 Ų96.340%0.40452%0.524SS..EExtended strand (participates in β ladder)trans-118.8146.2175.264.5-84.4000110H216 A223 I227H216-Y225 HydrophobicContact CB-CE1 4.16Å; A223-Y225 PolarHBondContact O-N 3.12Å; Y225-I227 HydrophobicContact CD2-CD1 4.27Å; Y225-I227 HydrophobicContact CD2-CG1 4.08Å; Y225-I227 HydrophobicContact CE2-CD1 3.67Å; Y225-I227 HydrophobicContact CE2-CG1 3.85Å
226Y68.6Low60Low155 Ų15597 Ų9761%0.60853%0.528SS*.EExtended strand (participates in β ladder)trans-99.8129.2177.9-60.4-89.1000108.8V215V215-Y226 HydrophobicContact CG2-CD1 3.94Å; V215-Y226 HydrophobicContact CG2-CE1 3.68Å
227I63.7Low60Low16 Ų1698.6 Ų98.68%0.08254%0.538CS..EExtended strand (participates in β ladder)trans-93.1110.5169.2-65.1137.1000107Y225 H229 L233Y225-I227 HydrophobicContact CD2-CD1 4.27Å; Y225-I227 HydrophobicContact CD2-CG1 4.08Å; Y225-I227 HydrophobicContact CE2-CD1 3.67Å; Y225-I227 HydrophobicContact CE2-CG1 3.85Å; I227-H229 WeakPolarHBondContact CG2-O 3.3Å; I227-L233 HydrophobicContact CB-CD1 4.4Å; I227-L233 HydrophobicContact CD1-CD1 3.44Å; I227-L233 VanDerWaalsContact CD1-CD1 3.44Å; I227-L233 HydrophobicContact CD1-CD2 4.25Å; I227-L233 HydrophobicContact CD1-CG 4.2Å; I227-L233 HydrophobicContact CG1-CD1 3.83Å; I227-L233 HydrophobicContact CG1-CD2 4.02Å; I227-L233 HydrophobicContact CG1-CG 4.05Å; I227-L233 HydrophobicContact CG2-CD1 3.9Å; I227-L233 HydrophobicContact CG2-CG 3.83Å
228I66.2Low59.9Low83 Ų8394 Ų9443%0.42652%0.519SS..SBendtrans-75.1-36-177.6-56.9177.6000111.1F213 W232F213-I228 HydrophobicContact CD1-CG1 4.47Å; F213-I228 HydrophobicContact CE1-CB 4.01Å; F213-I228 HydrophobicContact CE1-CG1 4.06Å; F213-I228 HydrophobicContact CE1-CG2 3.86Å; I228-W232 HydrophobicContact CB-CZ3 4.22Å; I228-W232 HydrophobicContact CD1-CZ3 4.47Å
229H59Low59.7Low70 Ų7094.1 Ų94.132%0.32452%0.519SS..  trans-134119.7178.5-86.5-92.1000109.4I227 E231 W232I227-H229 WeakPolarHBondContact CG2-O 3.3Å; H229-E231 HydrophobicContact CB-CG 4.09Å; H229-E231 IonicContact CE1-OE1 3.54Å; H229-E231 IonicContact CG-OE1 3.82Å; H229-E231 IonicContact ND1-OE1 2.83Å; H229-E231 PolarHBondContact ND1-OE1 3.26Å; H229-E231 PolarHBondContact O-N 3.02Å; H229-W232 HydrophobicContact CB-CD2 3.77Å; H229-W232 HydrophobicContact CB-CG 3.74Å; H229-W232 HydrophobicContact CB-CZ2 4.41Å; H229-W232 AromaticContact CD2-CZ2 3.98Å; H229-W232 WeakPolarHBondContact O-CB 3.38Å; H229-W232 PolarHBondContact O-N 3.46Å
230P60.5Low59.8Low90 Ų9098.9 Ų98.958%0.58452%0.518SS*.Hα-helixtrans-61.4-26.2178.524.6-32.9000111.8W232 L233 S234P230-W232 PolarHBondContact O-N 3.27Å; P230-L233 PolarHBondContact O-N 3.47Å; P230-S234 PolarHBondContact O-N 3.5Å
231E61Low59.6Low105 Ų105101.4 Ų101.449%0.49151%0.508SS..Hα-helixtrans-65.3-25.9176.369.1-133.7168.100113.4H229 L233 S234 E235H229-E231 HydrophobicContact CB-CG 4.09Å; H229-E231 IonicContact CE1-OE1 3.54Å; H229-E231 IonicContact CG-OE1 3.82Å; H229-E231 IonicContact ND1-OE1 2.83Å; H229-E231 PolarHBondContact ND1-OE1 3.26Å; H229-E231 PolarHBondContact O-N 3.02Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 2.87Å; E231-S234 WeakPolarHBondContact CA-OG 3.3Å; E231-S234 PolarHBondContact O-N 3.22Å; E231-S234 PolarHBondContact O-OG 3.4Å; E231-E235 WeakPolarHBondContact O-CB 3.32Å; E231-E235 PolarHBondContact O-N 3.15Å
232W63.9Low59.4Low137 Ų137100.8 Ų100.852%0.51950%0.499SS..Hα-helixtrans-69.6-28.5176.8-62.9-1000112.1I228 H229 P230 T236I228-W232 HydrophobicContact CB-CZ3 4.22Å; I228-W232 HydrophobicContact CD1-CZ3 4.47Å; H229-W232 HydrophobicContact CB-CD2 3.77Å; H229-W232 HydrophobicContact CB-CG 3.74Å; H229-W232 HydrophobicContact CB-CZ2 4.41Å; H229-W232 AromaticContact CD2-CZ2 3.98Å; H229-W232 WeakPolarHBondContact O-CB 3.38Å; H229-W232 PolarHBondContact O-N 3.46Å; P230-W232 PolarHBondContact O-N 3.27Å; W232-T236 PolarHBondContact O-N 3.08Å; W232-T236 PolarHBondContact O-OG1 3.05Å
233L59.3Low58.8Low77 Ų7796.9 Ų96.940%0.40350%0.501SS..Hα-helixtrans-73.9-40.5170.5-65.9-178.1000111.5I227 P230 E231 E235 T236 M237I227-L233 HydrophobicContact CB-CD1 4.4Å; I227-L233 HydrophobicContact CD1-CD1 3.44Å; I227-L233 VanDerWaalsContact CD1-CD1 3.44Å; I227-L233 HydrophobicContact CD1-CD2 4.25Å; I227-L233 HydrophobicContact CD1-CG 4.2Å; I227-L233 HydrophobicContact CG1-CD1 3.83Å; I227-L233 HydrophobicContact CG1-CD2 4.02Å; I227-L233 HydrophobicContact CG1-CG 4.05Å; I227-L233 HydrophobicContact CG2-CD1 3.9Å; I227-L233 HydrophobicContact CG2-CG 3.83Å; P230-L233 PolarHBondContact O-N 3.47Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 2.87Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.05Å; L233-T236 WeakPolarHBondContact CA-OG1 3.47Å; L233-T236 PolarHBondContact O-N 2.86Å; L233-T236 PolarHBondContact O-OG1 3.35Å; L233-T236 VanDerWaalsContact O-OG1 3.08Å; L233-M237 WeakPolarHBondContact O-CB 3.41Å; L233-M237 PolarHBondContact O-N 3.33Å
234S56.6Low58.4Low63 Ų6397.8 Ų97.844%0.44149%0.494SS..Hα-helixtrans-64.2-40.8177.354.10000111.1P230 E231 T236 M237 T238P230-S234 PolarHBondContact O-N 3.5Å; E231-S234 WeakPolarHBondContact CA-OG 3.3Å; E231-S234 PolarHBondContact O-N 3.22Å; E231-S234 PolarHBondContact O-OG 3.4Å; S234-T236 PolarHBondContact O-N 3.44Å; S234-M237 PolarHBondContact O-N 3.26Å; S234-T238 VanDerWaalsContact O-CB 3.24Å; S234-T238 WeakPolarHBondContact O-CB 3.31Å; S234-T238 PolarHBondContact O-N 3.19Å; S234-T238 PolarHBondContact O-OG1 2.82Å
235E55Low57.5Low122 Ų12299.1 Ų99.157%0.5751%0.505SS*.Hα-helixtrans-66.3-42.2179.6-163.7170.7-164.500111.4E231 L233 M237 T238 I239E231-E235 WeakPolarHBondContact O-CB 3.32Å; E231-E235 PolarHBondContact O-N 3.15Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.05Å; E235-M237 PolarHBondContact O-N 3.16Å; E235-T238 PolarHBondContact O-N 2.83Å; E235-I239 HydrophobicContact CG-CD1 4.05Å; E235-I239 WeakPolarHBondContact O-CB 3.38Å; E235-I239 WeakPolarHBondContact O-CD1 2.92Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.24Å
236T55.8Low57.3Low77 Ų7799.9 Ų99.947%0.47252%0.522SS..Hα-helixtrans-67.8-32.5175.344.60000113.5W232 L233 S234 R240W232-T236 PolarHBondContact O-N 3.08Å; W232-T236 PolarHBondContact O-OG1 3.05Å; L233-T236 WeakPolarHBondContact CA-OG1 3.47Å; L233-T236 PolarHBondContact O-N 2.86Å; L233-T236 PolarHBondContact O-OG1 3.35Å; L233-T236 VanDerWaalsContact O-OG1 3.08Å; S234-T236 PolarHBondContact O-N 3.44Å; T236-R240 WeakPolarHBondContact O-CG 3.5Å; T236-R240 PolarHBondContact O-N 2.87Å
237M56.6Low56.7Low115 Ų115103.2 Ų103.257%0.56753%0.534SS*.Hα-helixtrans-73.1-41.8174.1-170.1169.1-173.200111.7L233 S234 E235 R240 Q241L233-M237 WeakPolarHBondContact O-CB 3.41Å; L233-M237 PolarHBondContact O-N 3.33Å; S234-M237 PolarHBondContact O-N 3.26Å; E235-M237 PolarHBondContact O-N 3.16Å; M237-R240 PolarHBondContact O-N 3.05Å; M237-Q241 WeakPolarHBondContact O-CG 3.22Å; M237-Q241 PolarHBondContact O-N 3.07Å
238T54.1Low56.1Low66 Ų66108 Ų10841%0.40557%0.566SS.*Hα-helixtrans-65.6-41.5176.8-61.70000111.5S234 E235 R240 Q241 L242S234-T238 VanDerWaalsContact O-CB 3.24Å; S234-T238 WeakPolarHBondContact O-CB 3.31Å; S234-T238 PolarHBondContact O-N 3.19Å; S234-T238 PolarHBondContact O-OG1 2.82Å; E235-T238 PolarHBondContact O-N 2.83Å; T238-R240 VanDerWaalsContact C-N 3.29Å; T238-R240 PolarHBondContact O-N 3.09Å; T238-Q241 PolarHBondContact O-N 2.73Å; T238-L242 HydrophobicContact CG2-CD1 3.51Å; T238-L242 HydrophobicContact CG2-CG 3.99Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 VanDerWaalsContact O-CG 3.3Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.89Å
239I51Low55.5Low69 Ų69109.8 Ų109.835%0.35458%0.581SS.*Hα-helixtrans-58.5-42174.2-71163.2000110.8E235 L244E235-I239 HydrophobicContact CG-CD1 4.05Å; E235-I239 WeakPolarHBondContact O-CB 3.38Å; E235-I239 WeakPolarHBondContact O-CD1 2.92Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.24Å; I239-L244 HydrophobicContact CG2-CB 4.29Å; I239-L244 WeakPolarHBondContact CG2-O 3.1Å; I239-L244 PolarHBondContact O-N 3.14Å
240R55.7Low55.1Low216 Ų216111.9 Ų111.982%0.81560%0.6SS**Hα-helixtrans-68-40.2176.7-72.6178.8-177.6-167.61.5113T236 M237 T238T236-R240 WeakPolarHBondContact O-CG 3.5Å; T236-R240 PolarHBondContact O-N 2.87Å; M237-R240 PolarHBondContact O-N 3.05Å; T238-R240 VanDerWaalsContact C-N 3.29Å; T238-R240 PolarHBondContact O-N 3.09Å
241Q55.6Low54.8Low136 Ų136114.7 Ų114.764%0.63661%0.61SS**Hα-helixtrans-74.5-34-178.2-75.7178.7-8.600113.3M237 T238 G243M237-Q241 WeakPolarHBondContact O-CG 3.22Å; M237-Q241 PolarHBondContact O-N 3.07Å; T238-Q241 PolarHBondContact O-N 2.73Å; Q241-G243 PolarHBondContact O-N 2.84Å
242L57.8Low54.2Low115 Ų115115 Ų11560%0.60262%0.621SS**THydrogen-bonded Turntrans-78.71.9178.6-67.2177.5000113.2T238 L244T238-L242 HydrophobicContact CG2-CD1 3.51Å; T238-L242 HydrophobicContact CG2-CG 3.99Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 VanDerWaalsContact O-CG 3.3Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 2.89Å; L242-L244 HydrophobicContact CB-CD1 4.05Å; L242-L244 HydrophobicContact CB-CG 3.78Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.08Å
243G45.5Very low53.5Low64 Ų64115.2 Ų115.266%0.6663%0.631SS**THydrogen-bonded Turntrans59.219.9-176.100000112.8Q241 S245Q241-G243 PolarHBondContact O-N 2.84Å; G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.06Å
244L51.9Low52.7Low102 Ų102117.5 Ų117.553%0.53465%0.648SS.*  trans-69.997174-63.7177000105.4I239 L242I239-L244 HydrophobicContact CG2-CB 4.29Å; I239-L244 WeakPolarHBondContact CG2-O 3.1Å; I239-L244 PolarHBondContact O-N 3.14Å; L242-L244 HydrophobicContact CB-CD1 4.05Å; L242-L244 HydrophobicContact CB-CG 3.78Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.08Å
245S48.1Very low51.9Low101 Ų101121.1 Ų121.171%0.70666%0.663SS**  trans-37.9136.6-177.219.80000110.9G243 R247G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.06Å; S245-R247 PolarHBondContact O-N 2.78Å; S245-R247 VanDerWaalsContact O-N 3.16Å
246P57.3Low51Low118 Ų118118.5 Ų118.577%0.76667%0.668SS**  trans-49.3129.5178.619.9-30.3000108.6
247R56.1Low50.2Low225 Ų225121.6 Ų121.685%0.84968%0.681SS**  trans-33.7124.2177.3-178.1177.8-176.1166.31.4108.9S245 T249S245-R247 PolarHBondContact O-N 2.78Å; S245-R247 VanDerWaalsContact O-N 3.16Å; R247-T249 PolarHBondContact O-N 2.77Å
248P52.3Low49.4Very low117 Ų117121.9 Ų121.976%0.7669%0.685SS**PPolyproline II helixtrans-50.1116.5-174.716.2-28.9000108.7
249T52.7Low49Very low121 Ų121125.3 Ų125.374%0.74270%0.701SS**PPolyproline II helixtrans-51.6126.2177.1-46.10000107R247 L251R247-T249 PolarHBondContact O-N 2.77Å; T249-L251 PolarHBondContact O-N 3.36Å
250P51Low48.7Very low113 Ų113129 Ų12973%0.73472%0.721SS**PPolyproline II helixtrans-55.1123.2176.820-29000108
251L53.6Low48.2Very low150 Ų150125.7 Ų125.779%0.78572%0.715SS**PPolyproline II helixtrans-49.6141175.2-73164.4000108.3T249 I253T249-L251 PolarHBondContact O-N 3.36Å; L251-I253 PolarHBondContact O-N 2.87Å
252P48Very low47.7Very low111 Ų111124.1 Ų124.172%0.72173%0.725SS**  trans-53.4113.117722.4-31.7000107.9T254P252-T254 VanDerWaalsContact C-N 3.26Å; P252-T254 PolarHBondContact O-N 3.34Å
253I49.4Very low46.9Very low141 Ų141126 Ų12672%0.72374%0.736SS**  trans-65.5100.5170.3-48.9171.7000103.1L251 N255L251-I253 PolarHBondContact O-N 2.87Å; I253-N255 WeakPolarHBondContact CG2-OD1 3.38Å; I253-N255 PolarHBondContact O-N 2.78Å
254T42.8Very low47Very low125 Ų125131.2 Ų131.277%0.76774%0.74SS**  trans-64.891.3168.6540000105.3P252 G256P252-T254 VanDerWaalsContact C-N 3.26Å; P252-T254 PolarHBondContact O-N 3.34Å; T254-G256 PolarHBondContact O-N 3.23Å
255N40.6Very low46.3Very low140 Ų140137.7 Ų137.775%0.74976%0.758SS**  trans-6767.8155.9-71.9-9.5000106.4I253 L257I253-N255 WeakPolarHBondContact CG2-OD1 3.38Å; I253-N255 PolarHBondContact O-N 2.78Å; N255-L257 PolarHBondContact O-N 3.07Å
256G34.9Very low45.9Very low66 Ų66136.3 Ų136.368%0.6875%0.748SS**  trans-80.853170.900000109.5T254 N258T254-G256 PolarHBondContact O-N 3.23Å; G256-N258 PolarHBondContact O-N 2.98Å; G256-N258 VanDerWaalsContact O-N 3.08Å
257L39.1Very low45.1Very low143 Ų143139 Ų13975%0.74975%0.75SS**  trans-73.988.3156.7-78.5170.4000106N255N255-L257 PolarHBondContact O-N 3.07Å
258N39.8Very low44.5Very low120 Ų120134 Ų13464%0.64275%0.745SS**  trans-138.168.9160.4-121.5-8.1000107.3G256 N260G256-N258 PolarHBondContact O-N 2.98Å; G256-N258 VanDerWaalsContact O-N 3.08Å; N258-N260 PolarHBondContact O-N 2.83Å
259D46.6Very low44.1Very low139 Ų139134.6 Ų134.674%0.74375%0.747SS**THydrogen-bonded Turntrans-6627.2173.1-70.1-36.9000113.3
260N44.7Very low43.6Very low146 Ų146136.2 Ų136.278%0.78175%0.751SS**THydrogen-bonded Turntrans-129.921-176.7-74.5-37.3000114N258N258-N260 PolarHBondContact O-N 2.83Å
261Q43.8Very low43.2Very low147 Ų147136.3 Ų136.369%0.68775%0.754SS**  trans-106.121.8170.1-79-148.134.200115N263Q261-N263 PolarHBondContact O-N 3.27Å
262A45.6Very low42.5Very low103 Ų103136.6 Ų136.685%0.85176%0.755SS**SBendtrans-7015.3169.500000114.5
263N41.4Very low42Very low154 Ų154137 Ų13782%0.82476%0.759SS**  trans-153.957-173.4-137.9-4.8000114.5Q261Q261-N263 PolarHBondContact O-N 3.27Å
264K46.5Very low41.4Very low174 Ų174136.1 Ų136.176%0.75776%0.762SS**  trans-140.2106.2155.6-67.8-173.2-179.4176.70107
265R38.5Very low41.1Very low237 Ų237133.7 Ų133.789%0.89476%0.762SS**  43.312597.6-103.8-175.9168.8173.7-3.4111.1
266S39.8Very low41.1Very low73 Ų73132.7 Ų132.751%0.5177%0.766SS.*  cis161.5141.94.736.50000103.5
267H39.2Very low41.4Very low174 Ų174134.1 Ų134.181%0.80677%0.766SS**  trans71.6121.5174.2-41.1-66.9000112.7
268T43.5Very low41.4Very low121 Ų121136.6 Ų136.674%0.74277%0.765SS**  -161.1127.474.543.90000112.5
269T44.8Very low41.5Very low129 Ų129140.4 Ų140.479%0.79177%0.77SS**  trans56.491.7141.261.20000119.3S271T269-S271 PolarHBondContact O-N 3.38Å
270N42.6Very low41.4Very low155 Ų155140.9 Ų140.983%0.82977%0.773SS**  trans-62.4126.6146.1-71.9-26.2000108.5I272N270-I272 PolarHBondContact O-N 3.21Å
271S41.2Very low40.9Very low115 Ų115142.4 Ų142.480%0.80478%0.778SS**  trans-60.6102.3173.952.70000110.1T269 C273T269-S271 PolarHBondContact O-N 3.38Å; S271-C273 PolarHBondContact O-N 3.23Å
272I40.6Very low40.5Very low156 Ų156141.8 Ų141.880%0.879%0.788SS**  trans-75.5109.3166.5-65.6167.6000106.3N270 P274N270-I272 PolarHBondContact O-N 3.21Å; I272-P274 WeakPolarHBondContact O-CD 2.87Å
273C36.7Very low40.1Very low120 Ų120142.7 Ų142.781%0.81178%0.783SS**  trans-61.1121.4165.2-70.80000108.9S271S271-C273 PolarHBondContact O-N 3.23Å
274P37.7Very low39.7Very low121 Ų121142 Ų14279%0.78678%0.779SS**  trans-91.7136.4175.334.1-26.8000109.9I272I272-P274 WeakPolarHBondContact O-CD 2.87Å
275G36.3Very low39.2Very low75 Ų75138.3 Ų138.377%0.77378%0.776SS**  trans103.2145.5153.800000116.5
276S40.9Very low39.4Very low118 Ų118134.6 Ų134.683%0.82577%0.772SS**  trans82.383.3177.8-161.40000114.5
277S41.2Very low39Very low96 Ų96135.6 Ų135.667%0.67178%0.78SS**  76.899.884.8-168.20000113.3
278R38.8Very low39Very low195 Ų195135.6 Ų135.674%0.73678%0.784SS**  trans63.3109.3140.3-64.2-175.4178.2-160.50.7118.7
279R40.8Very low38.7Very low200 Ų200133.3 Ų133.376%0.75579%0.785SS**  trans80.8143.9135.1-58.6175.6-155.9171.94.4117.7
280N44Very low38.4Very low149 Ų149136.3 Ų136.380%0.79779%0.79SS**  trans89.791.6168.4-50.9-12.9000112.7
281M34.5Very low38.4Very low179 Ų179133 Ų13388%0.88278%0.777SS**  40.7104.767.5-68.3-77.1154.600111.5
282C36.2Very low38.3Very low133 Ų133132.1 Ų132.190%0.89977%0.771SS**  trans-170.1102.3139.7-89.90000108.1
283T36.7Very low38.4Very low122 Ų122132.9 Ų132.975%0.74877%0.769SS**  trans-61.115815244.60000110.2
284D34.3Very low38.5Very low140 Ų140134.6 Ų134.675%0.74977%0.77SS**  trans143.3101.3152.2-75.6-6.7000108.6
285S35.3Very low38.6Very low97 Ų97139.4 Ų139.468%0.67877%0.772SS**  91.515482.677.20000111.6
286L42.1Very low38.5Very low158 Ų158141.7 Ų141.783%0.82778%0.775SS**  trans92.286.4-178.4-47172.6000114
287S32.7Very low38.5Very low95 Ų95148.1 Ų148.166%0.66478%0.781SS**  58.5114.970.790.40000114.4
288L38.7Very low38.6Very low173 Ų173149 Ų14991%0.90679%0.788SS**  trans148.6122.7139.2-100.670.1000111.8
289G36.5Very low39.4Very low73 Ų73147.6 Ų147.675%0.75379%0.793SS**  trans105.768.1153.100000117P291G289-P291 WeakPolarHBondContact O-CD 3.36Å
290Q38Very low40Very low193 Ų193143.2 Ų143.290%0.90279%0.791SS**  trans-90.6111.4157.6-82.9-101.1-42.500109
291P44.5Very low40.5Very low84 Ų84142 Ų14255%0.54579%0.791SS.*  trans-88123.8155.410.49.1000108G289 F293G289-P291 WeakPolarHBondContact O-CD 3.36Å; P291-F293 HydrophobicContact CB-CE2 4.06Å; P291-F293 HydrophobicContact CB-CZ 4.4Å; P291-F293 HydrophobicContact CG-CE2 3.87Å; P291-F293 HydrophobicContact CG-CZ 4.41Å; P291-F293 WeakPolarHBondContact O-CD2 3.21Å; P291-F293 PolarHBondContact O-N 3.29Å
292S37.2Very low41.6Very low98 Ų98142.9 Ų142.969%0.68579%0.79SS**  trans-54.994.5171.7530000111.6N294S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.16Å
293F43.4Very low42.4Very low172 Ų172141.8 Ų141.875%0.75478%0.784SS**  trans-8775.8165.2-68.5-72.4000109.6P291 R295P291-F293 HydrophobicContact CB-CE2 4.06Å; P291-F293 HydrophobicContact CB-CZ 4.4Å; P291-F293 HydrophobicContact CG-CE2 3.87Å; P291-F293 HydrophobicContact CG-CZ 4.41Å; P291-F293 WeakPolarHBondContact O-CD2 3.21Å; P291-F293 PolarHBondContact O-N 3.29Å; F293-R295 PolarHBondContact O-N 3.21Å
294N40Very low43.1Very low155 Ų155142.6 Ų142.683%0.82978%0.782SS**  trans-67.872.2157-73.9-30.5000108.8S292S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.16Å
295R37.9Very low43.7Very low222 Ų222141 Ų14184%0.83877%0.774SS**  trans-143.8142.8168.5-95.2-176.9-173.8-171.71.1108.6F293F293-R295 PolarHBondContact O-N 3.21Å
296C35.8Very low44.5Very low123 Ų123142.7 Ų142.783%0.83178%0.783SS**  trans93.468.3177.4-50.60000115.9
297R40.2Very low45Very low254 Ų254141.8 Ų141.896%0.95878%0.777SS**  trans-156.666.5141.6-68.4-157.4-178.5-171.1-0.3112.1
298S44Very low45.5Very low115 Ų115140.3 Ų140.380%0.80476%0.764SS**  trans-120.38415460.90000107.3
299L55.6Low46.2Very low164 Ų164143 Ų14386%0.85976%0.762SS**PPolyproline II helixtrans-51.9133.8159.1-79.8153.8000107
300P53.5Low46.7Very low108 Ų108144.9 Ų144.970%0.70176%0.756SS**PPolyproline II helixtrans-55.8140.7170.224.8-31.1000107.6K302P300-K302 PolarHBondContact O-N 3.4Å
301P54Low47Very low123 Ų123141.4 Ų141.480%0.79975%0.752SS**PPolyproline II helixtrans-50.7133.9173.5-6.310.3000107.8S303P301-S303 PolarHBondContact O-N 3.3Å
302K57.1Low47Very low198 Ų198148 Ų14886%0.86177%0.768SS**  trans-45.4124.4171.8-81.1176.6175.7174.90106.9P300 I304P300-K302 PolarHBondContact O-N 3.4Å; K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 3.45Å
303S54Low47.1Very low111 Ų111146.2 Ų146.278%0.77677%0.765SS**  trans-57.299.6175.653.80000107.7P301 N305P301-S303 PolarHBondContact O-N 3.3Å; S303-N305 PolarHBondContact O-N 3.34Å
304I50.7Low47Very low138 Ų138146.1 Ų146.171%0.70877%0.773SS**  trans-66.9115.8165.9-70.7169.4000104K302 P306K302-I304 VanDerWaalsContact C-N 3.31Å; K302-I304 PolarHBondContact O-N 3.45Å; I304-P306 WeakPolarHBondContact O-CD 3.32Å
305N46.6Very low47Very low107 Ų107146.2 Ų146.257%0.57277%0.773SS**  trans-55.3127168.7-78.2-37.9000106.8S303 I307 T308S303-N305 PolarHBondContact O-N 3.34Å; N305-I307 PolarHBondContact O-N 3.5Å; N305-T308 HydrophobicContact CB-CG2 4.11Å; N305-T308 PolarHBondContact O-N 3.5Å; N305-T308 VanDerWaalsContact O-N 3.09Å; N305-T308 PolarHBondContact O-OG1 3.39Å
306P52.9Low47.7Very low133 Ų133144.8 Ų144.886%0.86479%0.792SS**THydrogen-bonded Turntrans-652.5177.625.3-32.7000113.2I304I304-P306 WeakPolarHBondContact O-CD 3.32Å
307I51.1Low48.3Very low138 Ų138145.9 Ų145.971%0.70879%0.79SS**THydrogen-bonded Turntrans-128.441.2177.9-41.2174.9000109.4N305N305-I307 PolarHBondContact O-N 3.5Å
308T44.6Very low48.7Very low65 Ų65140.2 Ų140.240%0.39978%0.782SS.*  trans-98.5100.8154.642.10000107.1N305 D310N305-T308 HydrophobicContact CB-CG2 4.11Å; N305-T308 PolarHBondContact O-N 3.5Å; N305-T308 VanDerWaalsContact O-N 3.09Å; N305-T308 PolarHBondContact O-OG1 3.39Å; T308-D310 PolarHBondContact O-N 3.01Å
309W52.8Low49Very low228 Ų228141.6 Ų141.686%0.86478%0.78SS**  trans-66.173153.7-64.380.7000106.4S311W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.89Å
310D46.4Very low48.6Very low114 Ų114140.2 Ų140.261%0.6178%0.776SS**  trans-55.3109.6157.6-76-30.1000104.1T308 Y312T308-D310 PolarHBondContact O-N 3.01Å; D310-Y312 WeakPolarHBondContact O-CD2 3.38Å; D310-Y312 PolarHBondContact O-N 3.18Å
311S44Very low48.3Very low119 Ų119142.3 Ų142.383%0.83278%0.78SS**  trans-6683.6-176.2-66.70000107.5W309 G313W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 2.89Å; S311-G313 PolarHBondContact O-N 2.9Å
312Y45.9Very low47.9Very low222 Ų222143.5 Ų143.587%0.87178%0.779SS**  trans-61.8114162.1-86.3-87.6000107.3D310D310-Y312 WeakPolarHBondContact O-CD2 3.38Å; D310-Y312 PolarHBondContact O-N 3.18Å
313G38.6Very low47.3Very low61 Ų61139.6 Ų139.663%0.62977%0.773SS**  trans86.391.8158.700000115S311S311-G313 PolarHBondContact O-N 2.9Å
314N40.8Very low46.7Very low171 Ų171141.8 Ų141.891%0.91477%0.773SS**  trans-152.572.2141.1-84-39.5000106.9
315N39.7Very low46.4Very low156 Ų156142.2 Ų142.283%0.83478%0.779SS**  trans-87142.5148.3-105.6-18000106.7
316P53.6Low46.4Very low192 Ų192145.4 Ų145.4100%1.24780%0.797SS**  trans-60.90-167.925.9-35.7000114.6

Retrieved 316 of 316 residues in 146.5 ms (Link to these results)