A0A060PW62_RAT Loading...

Thyroid nuclear factor 1

AlphaFold DB , UniProt , Accession A0A060PW62, Species RAT (Rattus norvegicus, Rat), Gene Nkx2-1, Length 370 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low52.2Low240 Ų240146.4 Ų146.4100%1.18280%0.804SS**  0131.40-65.9165.573.300107.3
2S45.8Very low52.4Low111 Ų111141.2 Ų141.278%0.77679%0.786SS**  trans-112.1124.2-175.8-51.20000110.4
3P55.4Low52.9Low134 Ų134139.3 Ų139.387%0.8777%0.773SS**  trans-62.8136.3171.7-20.633.3000110.8
4K51.8Low53.5Low203 Ų203139.3 Ų139.388%0.88377%0.769SS**  trans-91.7161.3175-66.4-178.2-179.7179.50110.5
5H51Low53.1Low184 Ų184139.3 Ų139.385%0.85277%0.766SS**  trans-39.2139.9178.9-82.3-98.7000114.9
6T54.8Low53Low134 Ų134136.8 Ų136.882%0.82276%0.762SS**  trans-121.3136.1141.6-173.30000108.1
7T60.8Low52.8Low113 Ų113135.1 Ų135.169%0.69376%0.759SS**PPolyproline II helixtrans-94.5131.6-176.745.10000110.4
8P61.6Low52.4Low119 Ų119136.9 Ų136.977%0.77377%0.765SS**PPolyproline II helixtrans-67.5151.1174.729.8-34.5000111.3
9F42.7Very low52.2Low197 Ų197137 Ų13786%0.86476%0.759SS**PPolyproline II helixtrans-50.1143.6-179.2-63.7-93.5000113.4
10S59.2Low51.8Low70 Ų70139.6 Ų139.649%0.4977%0.765SS.*PPolyproline II helixtrans-85.6149177.9-168.20000110.9S12 D13S10-S12 PolarHBondContact O-N 3.02Å; S10-S12 VanDerWaalsContact O-N 3.14Å; S10-D13 PolarHBondContact N-OD2 3.35Å; S10-D13 PolarHBondContact O-N 3.12Å
11V48.2Very low51.3Low105 Ų105138 Ų13864%0.63676%0.764SS**G310 helixtrans-64-21.4-179.7177.50000112D13 I14V11-D13 PolarHBondContact O-N 3.49Å; V11-I14 PolarHBondContact O-N 3.27Å
12S55.1Low51.1Low84 Ų84135.3 Ų135.359%0.58774%0.742SS**G310 helixtrans-56-35.1174.4-50.40000113.6S10 I14 L15S10-S12 PolarHBondContact O-N 3.02Å; S10-S12 VanDerWaalsContact O-N 3.14Å; S12-I14 PolarHBondContact O-N 3.4Å; S12-I14 VanDerWaalsContact O-N 3.16Å; S12-L15 PolarHBondContact O-N 3.03Å
13D57.8Low50.9Low117 Ų117139.3 Ų139.363%0.62675%0.746SS**G310 helixtrans-67.5-14.7-177.2-63.3-62.8000113.3S10 V11S10-D13 PolarHBondContact N-OD2 3.35Å; S10-D13 PolarHBondContact O-N 3.12Å; V11-D13 PolarHBondContact O-N 3.49Å
14I62.5Low50.2Low139 Ų139142.6 Ų142.671%0.71375%0.746SS**G310 helixtrans-96.2-15.8-173.6-59.2175.1000112.2V11 S12V11-I14 PolarHBondContact O-N 3.27Å; S12-I14 PolarHBondContact O-N 3.4Å; S12-I14 VanDerWaalsContact O-N 3.16Å
15L46.7Very low49.4Very low139 Ų139140.4 Ų140.473%0.72875%0.749SS**THydrogen-bonded Turntrans-116.71.6-168.5-76.3169.9000115.6S12 P17S12-L15 PolarHBondContact O-N 3.03Å; L15-P17 WeakPolarHBondContact O-CD 3.5Å
16S52.4Low48.7Very low99 Ų99134.9 Ų134.969%0.69274%0.743SS**  trans-73.6119.9169.2-650000111
17P49.4Very low48Very low109 Ų109137.7 Ų137.771%0.70875%0.749SS**  trans-68153.7178.9-21.435.1000113.9L15 E19L15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-E19 PolarHBondContact O-N 2.94Å
18L44.2Very low46.8Very low167 Ų167142 Ų14287%0.87476%0.761SS**THydrogen-bonded Turntrans-76.378.5179.1-94.7161.5000112.5
19E49.2Very low45.4Very low139 Ų139140.1 Ų140.165%0.6576%0.763SS**THydrogen-bonded Turntrans-123.1-18.5169.8-65-16590.300114.3P17 S21 Y22P17-E19 PolarHBondContact O-N 2.94Å; E19-S21 PolarHBondContact O-N 2.89Å; E19-Y22 WeakPolarHBondContact O-CD1 3.36Å; E19-Y22 WeakPolarHBondContact O-CE1 3.39Å
20E44.1Very low45Very low188 Ų188134.8 Ų134.888%0.87976%0.764SS**THydrogen-bonded Turntrans-93.141.4-171.5-157.495.313400114.6
21S41.5Very low43.8Very low108 Ų108134.8 Ų134.876%0.75578%0.775SS**THydrogen-bonded Turntrans-142.612.4-175.9-77.50000117.2E19E19-S21 PolarHBondContact O-N 2.89Å
22Y38.3Very low43.4Very low182 Ų182138.8 Ų138.871%0.71479%0.792SS**SBendtrans-115.528.517864.6-87.9000114.4E19E19-Y22 WeakPolarHBondContact O-CD1 3.36Å; E19-Y22 WeakPolarHBondContact O-CE1 3.39Å
23K41.7Very low42.2Very low196 Ų196138.8 Ų138.885%0.85281%0.805SS**SBendtrans-144.735.9-174.9-127.1173-172.7178.40117.8
24K40.7Very low41.4Very low202 Ų202138 Ų13888%0.87882%0.815SS**  trans-144.759.9167.2-156169.6-174.9-68.50115.3
25V35.7Very low41.2Very low157 Ų157137.2 Ų137.295%0.95282%0.819SS**  trans-136.7106.1156.8-133.80000108.1
26G36.5Very low40.7Very low69 Ų69138.8 Ų138.871%0.71183%0.827SS**SBendtrans153.3128.1-177.200000113
27M38.7Very low39.8Very low193 Ų193138.7 Ų138.795%0.95183%0.832SS**  trans59.896.5171.8-56.3-173.374.500116.6
28E37.3Very low39.1Very low203 Ų203138.6 Ų138.695%0.94984%0.841SS**  trans-77.8145.7150.6-56.7-163.5112.500109.5
29G32.6Very low38.5Very low80 Ų80139.8 Ų139.883%0.82584%0.835SS**  trans170.492.7177.200000116.3
30G33.5Very low37.6Very low84 Ų84144.5 Ų144.587%0.86685%0.847SS**  trans81.2101.9145.100000120.1
31G33.7Very low37.2Very low71 Ų71143.1 Ų143.173%0.73284%0.84SS**  95.5128.9110.900000121
32L39.1Very low36.7Very low188 Ų188141.6 Ų141.698%0.98484%0.842SS**  trans74.1130.1149.3-47.1-179.3000119.2
33G31.1Very low36.6Very low84 Ų84142.5 Ų142.587%0.86685%0.853SS**  trans149.1106169.900000113.2
34A40.9Very low36.1Very low102 Ų102138.3 Ų138.384%0.84386%0.855SS**  trans-105.5158.1-178.200000112.7
35P58.9Low35.9Very low122 Ų122133.1 Ų133.179%0.79285%0.85SS**  trans-100.8150.8-167.737.8-34.9000115.5
36L34.5Very low37.4Very low172 Ų172131.3 Ų131.390%0.90184%0.841SS**  trans-141.4128.2160.9-67.4175.3000107
37A33.6Very low38.3Very low97 Ų97133.6 Ų133.680%0.80284%0.843SS**  cis91.5106.948.200000113.4
38A35.4Very low38.3Very low107 Ų107129.1 Ų129.188%0.88484%0.837SS**  trans-154.3152.716700000109.9
39Y31Very low38.2Very low192 Ų192124.3 Ų124.375%0.75383%0.832SS**  trans-155.3133.8-157.2-176.6-81.8000114Q41Y39-Q41 HydrophobicContact CE1-CB 4.07Å
40R31.7Very low38.4Very low237 Ų237124.7 Ų124.789%0.89483%0.827SS**  trans175133.9159.1-101.8169.6-174.2-131.71.5107.6
41Q34Very low38.8Very low159 Ų159128.6 Ų128.674%0.74383%0.825SS**  cis78.4121.617.5-153.4-170.724.900116.3Y39Y39-Q41 HydrophobicContact CE1-CB 4.07Å
42G32.4Very low39.3Very low77 Ų77131.4 Ų131.479%0.79482%0.819SS**  trans158.7109.8169.200000113.8
43Q35.3Very low39.2Very low200 Ų200129 Ų12994%0.93580%0.803SS**  trans-107.2148.6170.7-63.1163.6-87.700110.1
44A32Very low39.6Very low108 Ų108132.8 Ų132.889%0.89380%0.798SS**  trans-173.3152.6150.200000113.1
45A36.2Very low39.3Very low94 Ų94131.6 Ų131.678%0.77779%0.788SS**  trans-172.5171.8165.900000108.4
46P66.7Low38.3Very low118 Ų118132.8 Ų132.877%0.76679%0.793SS**  cis-107.6-158.6-37.737.1-20.2000109.8
47P56.2Low38.3Very low117 Ų117127.7 Ų127.776%0.7678%0.782SS**  -156.8148.881.139.9-18.8000119.6
48A37.3Very low38.5Very low99 Ų99131.4 Ų131.482%0.81878%0.782SS**  trans50.7162.2135.100000126
49A37Very low38.5Very low103 Ų103134 Ų13485%0.85178%0.775SS**  trans86.4137166.700000118.9
50A36.9Very low38.6Very low87 Ų87128.6 Ų128.672%0.71978%0.779SS**  cis-165.3162.6-15.100000113.1
51M41.5Very low38.8Very low166 Ų166122.3 Ų122.382%0.81878%0.777SS**  trans66.7149.5164.4-62.6174.976.500116.4
52Q42.9Very low38.9Very low130 Ų130122 Ų12261%0.60779%0.786SS**  cis-152.816910.5-102.9-36.4-108.100108.2
53Q37.3Very low39Very low137 Ų137125 Ų12564%0.6479%0.789SS**  cis-152.5-91-11.9-168-17188.400113.6
54H38.9Very low38.7Very low164 Ų164120.1 Ų120.176%0.75978%0.783SS**  trans-153.3169-155.9-75.1-11.6000113
55A35.3Very low38.8Very low78 Ų78118.2 Ų118.265%0.64577%0.767SS**  cis-170.9178.9-23.500000111.2
56V37.6Very low38.7Very low147 Ų147123.4 Ų123.489%0.89177%0.768SS**  trans68.1135.4175.7-45.90000118
57G34.8Very low37.4Very low65 Ų65126.4 Ų126.467%0.6777%0.771SS**  cis111.8114.9-17.500000116.2
58H38.1Very low37Very low175 Ų175129.1 Ų129.181%0.8178%0.776SS**  trans-168.3-177.5148.4-107.157.7000110.6
59H36.4Very low36.8Very low160 Ų160131.5 Ų131.574%0.74178%0.781SS**  trans-127.7166.7-149.345.9-113.3000115.2
60G32.2Very low37Very low80 Ų80130.9 Ų130.983%0.82578%0.776SS**  trans172.4108.3167.300000113.4
61A36.1Very low37.1Very low104 Ų104132 Ų13286%0.8679%0.785SS**  trans-143.2135.5174.600000110.5
62V34.9Very low36.7Very low153 Ų153127.9 Ų127.993%0.92779%0.785SS**  trans-140.8143.3167.4-76.50000109.9
63T34.3Very low36.6Very low139 Ų139128 Ų12885%0.85379%0.794SS**  trans-108.7143-173.748.70000111.9
64A29.6Very low36.9Very low99 Ų99127.5 Ų127.582%0.81880%0.802SS**  trans-145.8135.315400000109.5
65A34.8Very low36.8Very low67 Ų67126.1 Ų126.155%0.55480%0.796SS**  trans-131.6-155.5171.200000107.8
66Y33.3Very low36.7Very low203 Ų203130.7 Ų130.780%0.79681%0.809SS**  trans67.9140.8174.9-16-68.7000113.1
67H39.3Very low36.7Very low181 Ų181126.7 Ų126.784%0.83879%0.788SS**  cis-161.5170.1-2.443.7-86.2000110.4
68M47.8Very low36.8Very low175 Ų175131.7 Ų131.786%0.86279%0.793SS**  trans-87154.1174.2-69.3-92.9-161.400112
69T34.7Very low36.4Very low149 Ų149128.6 Ų128.691%0.91479%0.791SS**  trans-175.7161.8138.9-81.30000110.5
70A39.2Very low36.5Very low90 Ų90126.2 Ų126.274%0.74480%0.799SS**  trans-125.7-177.6-170.600000113.6
71A39.8Very low36.9Very low111 Ų111129.1 Ų129.192%0.91780%0.801SS**  trans77138.6171.500000117.8
72G34Very low36.8Very low78 Ų78126.6 Ų126.680%0.80479%0.785SS**  trans159.299.9177.800000112
73V40Very low36.8Very low132 Ų132123 Ų12380%0.878%0.779SS**  trans-88.7159.8170.3-146.90000108.9
74P44.5Very low37.3Very low127 Ų127126.4 Ų126.483%0.82578%0.777SS**  -127.9140.9117.535.6-31000113.1
75Q36.8Very low37.8Very low135 Ų135127.7 Ų127.763%0.63178%0.779SS**  trans-93.1138.4175.6-165.3-85.211.800108.8S77Q75-S77 PolarHBondContact NE2-OG 3.02Å
76L32.7Very low38.1Very low175 Ų175132.6 Ų132.692%0.91680%0.796SS**  trans-153.5118.9152.8-104.2169.4000108
77S36.5Very low38.2Very low63 Ų63126 Ų12644%0.44179%0.79SS.*  trans-104.8158.8-171.246.50000113.3Q75Q75-S77 PolarHBondContact NE2-OG 3.02Å
78H38.7Very low38Very low170 Ų170124.5 Ų124.579%0.78779%0.788SS**  -178.7144.1115.9-98-69.4000114.8
79S29Very low37.5Very low109 Ų109123.5 Ų123.576%0.76279%0.785SS**  trans6299.4147.4-57.50000122
80A38.6Very low37.5Very low110 Ų110119.7 Ų119.791%0.90978%0.776SS**  -147.5130.412700000108.5
81V39.3Very low37.4Very low141 Ų141123.3 Ų123.386%0.85578%0.783SS**  trans-141.7140-171.2610000112.7
82G35.4Very low37.3Very low51 Ų51124.4 Ų124.453%0.52677%0.771SS.*  trans49.5105.4150.600000119.7
83G34.4Very low37.9Very low78 Ų78127.1 Ų127.180%0.80478%0.777SS**  trans-108.812715800000111.2
84Y45.6Very low37.7Very low210 Ų210128.1 Ų128.182%0.82477%0.773SS**  trans-141.6103.6-178.2-48.9-89.6000113.3
85C39.7Very low37.9Very low127 Ų127129.8 Ų129.886%0.85877%0.774SS**  trans174.8131.5153.844.30000107.5
86N40.3Very low38.5Very low170 Ų170128.8 Ų128.891%0.90978%0.779SS**  cis99.6117.512-157.25.8000115.8
87G36.8Very low39.1Very low64 Ų64125.7 Ų125.766%0.6677%0.77SS**  trans84143.2-178.300000114.7
88N33.7Very low39Very low149 Ų149133.1 Ų133.180%0.79779%0.79SS**  cis-169.4167.3-10.4-142.6-3.2000106.9
89L37.4Very low39Very low154 Ų154132.7 Ų132.781%0.80679%0.788SS**  cis-145174.76.9-39.477.6000110.1
90G34.3Very low39.7Very low70 Ų70133 Ų13372%0.72278%0.781SS**  trans94.598.3160.300000115
91N38Very low39.8Very low165 Ų165133 Ų13388%0.88277%0.77SS**  63.1120.372.1-159.835.3000112.4
92M38.1Very low40.2Very low135 Ų135134.4 Ų134.467%0.66577%0.769SS**  cis-136.7138.420173-170179.500111.6E94M92-E94 HydrophobicContact CE-CB 3.73Å
93S45.2Very low40.4Very low134 Ų134142.6 Ų142.694%0.93778%0.784SS**  trans-129.194.1171.7-68.40000110.5
94E36.6Very low40.5Very low153 Ų153145.9 Ų145.972%0.71578%0.783SS**  trans-124.2107.2170.9-162.2178139.900109.5M92M92-E94 HydrophobicContact CE-CB 3.73Å
95L48.9Very low39.9Very low162 Ų162141.5 Ų141.585%0.84878%0.783SS**PPolyproline II helixtrans-88.7121169.1-73.8167.7000107.9
96P49.3Very low40.2Very low114 Ų114140.3 Ų140.374%0.7478%0.783SS**PPolyproline II helixtrans-61.2127.1172.5-22.533.8000110
97P44.7Very low40.4Very low110 Ų110138 Ų13871%0.71478%0.78SS**PPolyproline II helixtrans-67.6142.4174.728.4-34000110Q99P97-Q99 PolarHBondContact O-N 2.89Å
98Y35.5Very low40.6Very low220 Ų220138 Ų13886%0.86378%0.781SS**  trans-68.794.5172.3-175.4-88.5000109.2
99Q37.8Very low41.3Very low160 Ų160136.9 Ų136.975%0.74878%0.781SS**  trans-77.1128167.9-82.4-157.2-17.800110.3P97P97-Q99 PolarHBondContact O-N 2.89Å
100D43.8Very low41.5Very low116 Ų116132.7 Ų132.762%0.6278%0.775SS**  trans-65.4138.2163.2-166.3-64.6000109.5M102D100-M102 PolarHBondContact OD1-N 3.12Å
101T41.2Very low42Very low111 Ų111140.8 Ų140.868%0.68178%0.784SS**  trans-144.864.4171.9-49.70000111.2R103T101-R103 PolarHBondContact O-N 3.1Å
102M47.3Very low42.5Very low170 Ų170141.9 Ų141.984%0.83778%0.777SS**  trans-6562.5165-85.6-80.5-161.600113.6D100D100-M102 PolarHBondContact OD1-N 3.12Å
103R39.8Very low42.5Very low222 Ų222138.6 Ų138.684%0.83878%0.778SS**  trans-154.5105.6166.5-145.371.7179.3-166-0.8116.8T101T101-R103 PolarHBondContact O-N 3.1Å
104N36.5Very low42.6Very low147 Ų147137.1 Ų137.179%0.78677%0.773SS**  trans51.1103.5140.6-174.843.4000120.2
105S32.6Very low43Very low118 Ų118137.1 Ų137.183%0.82578%0.778SS**  -166156.8119.743.10000110.9
106A47.3Very low42.9Very low102 Ų102135.2 Ų135.284%0.84378%0.776SS**  trans-98.7122.5-167.800000113.6
107S44.5Very low42.7Very low122 Ų122134 Ų13485%0.85376%0.763SS**  trans-159.1143.6149.945.20000110.1
108G40.8Very low43.2Very low65 Ų65135 Ų13567%0.6777%0.769SS**  trans-83.6173.2-173.800000114G110G108-G110 PolarHBondContact O-N 3.46Å
109P48.5Very low43.9Very low124 Ų124134.4 Ų134.481%0.80577%0.766SS**  trans-61.996.2-179.6-23.635.2000113.2W111P109-W111 PolarHBondContact O-N 3.27Å
110G40.5Very low44.1Very low66 Ų66134.9 Ų134.968%0.6877%0.765SS**  trans-70.6109.5175.400000111.4G108 Y112G108-G110 PolarHBondContact O-N 3.46Å; G110-Y112 PolarHBondContact O-N 3.29Å
111W45.9Very low44.5Very low240 Ų240134.6 Ų134.691%0.90977%0.77SS**SBendtrans-65.98.8178.5-84.689.7000115.6P109P109-W111 PolarHBondContact O-N 3.27Å
112Y47.8Very low45.2Very low189 Ų189133.6 Ų133.674%0.74177%0.773SS**  trans-138.766.4179.9-78.4-81.9000111.4G110 R125G110-Y112 PolarHBondContact O-N 3.29Å; Y112-R125 PolarHBondContact OH-NH1 2.97Å
113G38.9Very low45.3Very low66 Ų66132.4 Ų132.468%0.6877%0.769SS**  trans-78115.5164.100000110.7N115G113-N115 PolarHBondContact O-N 3.09Å; G113-N115 VanDerWaalsContact O-N 3.08Å
114A46.7Very low46.1Very low102 Ų102126.9 Ų126.984%0.84376%0.764SS**  trans-82.578.6-179.500000111.8
115N44.3Very low46.8Very low153 Ų153129.1 Ų129.182%0.81876%0.761SS**  trans-104114.9171.8-96.2-44.9000111G113 D117G113-N115 PolarHBondContact O-N 3.09Å; G113-N115 VanDerWaalsContact O-N 3.08Å; N115-D117 PolarHBondContact O-N 2.94Å; N115-D117 VanDerWaalsContact O-N 3.13Å
116P47.6Very low47.7Very low123 Ų123132.4 Ų132.480%0.79976%0.761SS**  trans-83.875.1175.834.1-33.9000111.5
117D44.6Very low47.9Very low88 Ų88136 Ų13647%0.47176%0.763SS.*  trans-71123.8168.9-172.9-46.5000109.9N115 R119N115-D117 PolarHBondContact O-N 2.94Å; N115-D117 VanDerWaalsContact O-N 3.13Å; D117-R119 PolarHBondContact O-N 3.24Å; D117-R119 VanDerWaalsContact O-N 3.12Å; D117-R119 VanDerWaalsContact OD1-CB 3.26Å; D117-R119 WeakPolarHBondContact OD1-CB 3.46Å; D117-R119 PolarHBondContact OD1-N 2.89Å
118P56.1Low47.8Very low130 Ų130132.8 Ų132.884%0.84475%0.749SS**THydrogen-bonded Turntrans-68-8.5-176.728.5-36.1000114.7
119R49Very low48.2Very low208 Ų208135.3 Ų135.379%0.78575%0.754SS**THydrogen-bonded Turntrans-78.4-13.2-179.7-70.2-173.5158.994.7-1.2114.8D117D117-R119 PolarHBondContact O-N 3.24Å; D117-R119 VanDerWaalsContact O-N 3.12Å; D117-R119 VanDerWaalsContact OD1-CB 3.26Å; D117-R119 WeakPolarHBondContact OD1-CB 3.46Å; D117-R119 PolarHBondContact OD1-N 2.89Å
120F41.6Very low48.2Very low170 Ų170134.6 Ų134.675%0.74676%0.758SS**SBendtrans-131.3118.5179.6-70.2-81.2000112.2A122F120-A122 PolarHBondContact O-N 3.47Å; F120-A122 VanDerWaalsContact O-N 3.16Å
121P53.1Low48.5Very low111 Ų111136.4 Ų136.472%0.72176%0.76SS**  trans-66.5118.1174.427.4-33000109.7I123P121-I123 PolarHBondContact O-N 3.16Å
122A55Low48.5Very low90 Ų90128.5 Ų128.574%0.74475%0.754SS**  trans-57123.7177.900000110.3F120 S124F120-A122 PolarHBondContact O-N 3.47Å; F120-A122 VanDerWaalsContact O-N 3.16Å; A122-S124 PolarHBondContact O-N 3.24Å
123I50.8Low48.6Very low145 Ų145127.8 Ų127.874%0.74476%0.759SS**  trans-73.593176.4-61176.4000107.7P121 R125P121-I123 PolarHBondContact O-N 3.16Å; I123-R125 VanDerWaalsContact O-CG 3.3Å; I123-R125 WeakPolarHBondContact O-CG 3.47Å; I123-R125 PolarHBondContact O-N 2.82Å
124S56.1Low49.3Very low106 Ų106131.1 Ų131.174%0.74176%0.761SS**  trans-53.9110.4175.5-64.70000110.6A122 F126A122-S124 PolarHBondContact O-N 3.24Å; S124-F126 PolarHBondContact O-N 3.1Å; S124-F126 VanDerWaalsContact O-N 3.12Å
125R51.6Low49.4Very low193 Ų193135.6 Ų135.673%0.72877%0.767SS**  trans-84.127.2-178.8-54.5-174.7-176.3155.2-0.2112.4Y112 I123 M127Y112-R125 PolarHBondContact OH-NH1 2.97Å; I123-R125 VanDerWaalsContact O-CG 3.3Å; I123-R125 WeakPolarHBondContact O-CG 3.47Å; I123-R125 PolarHBondContact O-N 2.82Å; R125-M127 PolarHBondContact O-N 3.12Å; R125-M127 VanDerWaalsContact O-N 3.1Å
126F51.3Low49.5Very low188 Ų188133.6 Ų133.683%0.82577%0.765SS**  trans-79.797.3-173.2-149.2-86000110S124 G128S124-F126 PolarHBondContact O-N 3.1Å; S124-F126 VanDerWaalsContact O-N 3.12Å; F126-G128 PolarHBondContact O-N 3.22Å
127M50.6Low49.4Very low177 Ų177131.5 Ų131.587%0.87277%0.766SS**  trans-69.993.6167.9-78.9165.646.800109R125R125-M127 PolarHBondContact O-N 3.12Å; R125-M127 VanDerWaalsContact O-N 3.1Å
128G41.9Very low49.4Very low55 Ų55136.3 Ų136.357%0.56779%0.788SS**PPolyproline II helixtrans-64.3136.5163.700000110.1F126F126-G128 PolarHBondContact O-N 3.22Å
129P50.1Low48.9Very low118 Ų118133.8 Ų133.877%0.76679%0.786SS**PPolyproline II helixtrans-69.6153178.929.8-35000111.4
130A47.9Very low48.7Very low108 Ų108127.7 Ų127.789%0.89379%0.788SS**PPolyproline II helixtrans-82.2117.9174.200000110.7
131S47Very low49.1Very low104 Ų104128.6 Ų128.673%0.72780%0.799SS**  trans-122110.2165.4-62.10000107.7
132G46Very low48.6Very low75 Ų75126.9 Ų126.977%0.77380%0.801SS**  trans-94.3121.2-174.400000112.5
133M50.2Low48.1Very low174 Ų174128 Ų12886%0.85780%0.804SS**  trans-124.7134.3163.3-80.579.6-164.200110.8
134N52.7Low48.1Very low136 Ų136129.7 Ų129.773%0.72781%0.814SS**  trans-75135.1171.3168.37.8000109.8S136N134-S136 PolarHBondContact OD1-N 3.4Å
135M48.8Very low47.5Very low195 Ų195128 Ų12896%0.96181%0.813SS**  trans-145.8100.6141.7-82.4-143.3173.300111.1
136S46.5Very low47.4Very low112 Ų112127.2 Ų127.278%0.78382%0.823SS**  trans-90.4129.9160.7-69.80000110.4N134N134-S136 PolarHBondContact OD1-N 3.4Å
137G46.2Very low47.4Very low79 Ų79124.9 Ų124.981%0.81482%0.824SS**  trans82.696.6157.800000117.2
138M45.3Very low47.4Very low189 Ų189121 Ų12193%0.93181%0.814SS**  trans-144.3128.4144.7-168.872.781.400108
139G44.9Very low47.8Very low77 Ų77127.1 Ų127.179%0.79483%0.825SS**  trans-119.2135.2169.200000109
140G45.8Very low47.6Very low80 Ų80128.7 Ų128.783%0.82583%0.827SS**  trans-172118.9-173.900000112.7
141L49.9Very low47.7Very low188 Ų188132.3 Ų132.398%0.98483%0.827SS**  trans-63151.3-173.6-57.6160.4000114.6
142G41.7Very low48.1Very low75 Ų75131.3 Ų131.377%0.77383%0.826SS**  trans149.4106.6170.600000110.6
143S44.7Very low48.4Very low113 Ų113133.9 Ų133.979%0.7983%0.829SS**  cis89.7117.544.3-165.30000113.5
144L50.3Low48.9Very low182 Ų182133 Ų13395%0.95383%0.827SS**  trans59.6148.7178.5-10283.8000118.5
145G43.5Very low49.1Very low70 Ų70132.3 Ų132.372%0.72283%0.83SS**  trans144.856.1163.400000117.3V147G145-V147 PolarHBondContact O-N 3.41Å; G145-V147 VanDerWaalsContact O-N 3.12Å
146D51Low49.7Very low176 Ų176127.6 Ų127.694%0.94182%0.816SS**  trans-66.3106.6167.1-98.6-83.1000111.1
147V49.9Very low50.5Low140 Ų140126.2 Ų126.285%0.84881%0.812SS**  trans-141.5122.2152.975.20000110.7G145G145-V147 PolarHBondContact O-N 3.41Å; G145-V147 VanDerWaalsContact O-N 3.12Å
148S52Low51.3Low95 Ų95128.2 Ų128.266%0.66481%0.81SS**  trans-97.5128.7-178.61780000110.5
149K49.3Very low52.5Low184 Ų184129.7 Ų129.780%0.881%0.805SS**  trans165.1152.7130.2-87.1148.4-162.5168.40114.4
150N45.5Very low53.9Low150 Ų150137.1 Ų137.180%0.80281%0.809SS**  trans61.750.2152.5-66.129.2000119.9
151M51.2Low55.2Low184 Ų184143.1 Ų143.191%0.90681%0.812SS**  trans-107.9101.4142-77.1-67.2165.500109
152A55Low56.8Low84 Ų84145.4 Ų145.469%0.69481%0.808SS**  trans-65.8136.8177.300000110L154A152-L154 PolarHBondContact O-N 3.16Å
153P52.6Low58.9Low128 Ų128150 Ų15083%0.83180%0.802SS**  trans-6997.8176.228.3-33.3000109.3
154L60.1Low61Low156 Ų156150.7 Ų150.782%0.81780%0.801SS**  trans-49127.1170.2-69.1173000108.5A152 S156A152-L154 PolarHBondContact O-N 3.16Å; L154-S156 PolarHBondContact O-N 3.48Å
155P56.3Low63.1Low122 Ų122149.3 Ų149.379%0.79279%0.794SS**  trans-61108.4-171.422.7-33.1000109.4A157P155-A157 PolarHBondContact O-N 3.34Å
156S61.3Low65.6Low95 Ų95148.8 Ų148.866%0.66477%0.772SS**  trans-58.7117.7-167.368.30000110.1L154L154-S156 PolarHBondContact O-N 3.48Å
157A64Low67.9Low84 Ų84143.2 Ų143.269%0.69475%0.747SS**  trans-46.1130.7-170.900000111.4P155 R159P155-A157 PolarHBondContact O-N 3.34Å; A157-R159 PolarHBondContact O-N 3.46Å
158P63.2Low70.1Confident120 Ų120143.9 Ų143.978%0.77974%0.741SS**  trans-47.3100.4-166.1-33.436.4000113.7R160P158-R160 PolarHBondContact O-N 3.05Å
159R70.8Confident72.3Confident220 Ų220142.7 Ų142.783%0.8374%0.737SS**  trans-65.3108.2-168.7-168.5178-67.4-125.93.3108.7A157 K161A157-R159 PolarHBondContact O-N 3.46Å; R159-K161 PolarHBondContact O-N 3.49Å; R159-K161 VanDerWaalsContact O-N 3.1Å
160R74.5Confident74.7Confident234 Ų234135.6 Ų135.688%0.88371%0.707SS**PPolyproline II helixtrans-47.9120.1-177-69.8-177.3-177.4164.31.9109.4P158 R162P158-R160 PolarHBondContact O-N 3.05Å; R160-R162 PolarHBondContact O-N 3.17Å; R160-R162 VanDerWaalsContact O-N 3.16Å
161K73.2Confident77.2Confident205 Ų205130 Ų13089%0.89168%0.678SS**PPolyproline II helixtrans-54.8121.6-177-71.2174.7177.6176.20109R159 R163R159-K161 PolarHBondContact O-N 3.49Å; R159-K161 VanDerWaalsContact O-N 3.1Å; K161-R163 PolarHBondContact O-N 2.92Å
162R82Confident79.4Confident236 Ų236127.9 Ų127.989%0.89166%0.661SS**PPolyproline II helixtrans-60.3123.3-175.5-173.2173.374.8177.23108.7R160 V164R160-R162 PolarHBondContact O-N 3.17Å; R160-R162 VanDerWaalsContact O-N 3.16Å; R162-V164 PolarHBondContact O-N 3.04Å
163R87.5Confident81.5Confident171 Ų171125.8 Ų125.865%0.64564%0.636SS**PPolyproline II helixtrans-57.5125.7175.5-77.5-177.7169.3155.9-0.9109.3K161K161-R163 PolarHBondContact O-N 2.92Å
164V87.1Confident83.7Confident128 Ų128119.7 Ų119.778%0.77660%0.597SS**PPolyproline II helixtrans-80.9131.3171.6-179.20000107.7R162R162-V164 PolarHBondContact O-N 3.04Å
165L94.2Very high85.5Confident153 Ų153115.5 Ų115.580%0.80157%0.573SS**PPolyproline II helixtrans-98.3147.8172.2-59.4178.8000108.9
166F97.4Very high87.5Confident60 Ų60115.4 Ų115.426%0.26356%0.557SS.*PPolyproline II helixtrans-74.2149171.6-56.2-36.8000110.4Q170 V171 L174 L198 Q202 W206F166-Q170 HydrophobicContact CB-CB 4.13Å; F166-V171 HydrophobicContact CB-CG2 4.03Å; F166-L174 HydrophobicContact CD2-CD1 4.24Å; F166-L198 HydrophobicContact CD1-CD1 3.95Å; F166-L198 HydrophobicContact CD1-CD2 3.65Å; F166-L198 HydrophobicContact CD1-CG 4.5Å; F166-L198 HydrophobicContact CD2-CD1 4.38Å; F166-L198 HydrophobicContact CE1-CD1 3.96Å; F166-L198 HydrophobicContact CE1-CD2 3.63Å; F166-L198 HydrophobicContact CE1-CG 4.48Å; F166-L198 HydrophobicContact CE2-CD1 4.38Å; F166-L198 HydrophobicContact CG-CD1 4.19Å; F166-L198 HydrophobicContact CZ-CD1 4.19Å; F166-Q202 HydrophobicContact CE1-CB 4.32Å; F166-Q202 HydrophobicContact CE1-CG 4.26Å; F166-Q202 HydrophobicContact CZ-CB 3.93Å; F166-Q202 HydrophobicContact CZ-CG 4.14Å; F166-W206 AromaticContact CD2-CD1 3.87Å; F166-W206 HydrophobicContact CE2-CB 4.29Å; F166-W206 AromaticContact CE2-CD1 3.78Å; F166-W206 HydrophobicContact CE2-CG 4.37Å
167S97.9Very high89.3Confident58 Ų58114.9 Ų114.941%0.40654%0.54SS..PPolyproline II helixtrans-70.1159.2176.476.50000111.4A169 Q170 V171S167-A169 PolarHBondContact O-N 3.21Å; S167-Q170 WeakPolarHBondContact O-CB 3.4Å; S167-Q170 PolarHBondContact O-N 2.98Å; S167-Q170 VanDerWaalsContact O-N 3.09Å; S167-Q170 WeakPolarHBondContact OG-CG 3.3Å; S167-Q170 PolarHBondContact OG-N 2.72Å; S167-V171 WeakPolarHBondContact O-CG2 3.5Å; S167-V171 PolarHBondContact O-N 3.35Å
168Q98Very high90.9Very high154 Ų154111.2 Ų111.272%0.7251%0.508SS*.Hα-helixtrans-60.7-33.1179.8-171.961.614.600112.4V171 Y172Q168-V171 PolarHBondContact O-N 3.08Å; Q168-Y172 WeakPolarHBondContact O-CB 3.49Å; Q168-Y172 PolarHBondContact O-N 3.33Å
169A97.9Very high92.6Very high71 Ų71112.7 Ų112.759%0.58750%0.503SS*.Hα-helixtrans-67-42.2174.200000112.3S167 Y172 E173S167-A169 PolarHBondContact O-N 3.21Å; A169-Y172 PolarHBondContact O-N 2.79Å; A169-E173 PolarHBondContact O-N 3.47Å; A169-E173 VanDerWaalsContact O-N 3.08Å
170Q98.4Very high93.8Very high35 Ų35107.9 Ų107.916%0.16449%0.49CS..Hα-helixtrans-62.1-44.3173.9-72.6172.2-3200111.2F166 S167 L174 I196F166-Q170 HydrophobicContact CB-CB 4.13Å; S167-Q170 WeakPolarHBondContact O-CB 3.4Å; S167-Q170 PolarHBondContact O-N 2.98Å; S167-Q170 VanDerWaalsContact O-N 3.09Å; S167-Q170 WeakPolarHBondContact OG-CG 3.3Å; S167-Q170 PolarHBondContact OG-N 2.72Å; Q170-L174 WeakPolarHBondContact O-CB 3.12Å; Q170-L174 WeakPolarHBondContact O-CD1 3.34Å; Q170-L174 WeakPolarHBondContact O-CG 3.45Å; Q170-L174 PolarHBondContact O-N 3.23Å; Q170-I196 HydrophobicContact CG-CB 4.32Å; Q170-I196 WeakPolarHBondContact CG-O 3.43Å; Q170-I196 PolarHBondContact NE2-O 2.85Å
171V98.3Very high94.9Very high32 Ų32100.3 Ų100.319%0.19446%0.464CS..Hα-helixtrans-63.4-41.3176.4176.50000111.3F166 S167 Q168 L174 E175F166-V171 HydrophobicContact CB-CG2 4.03Å; S167-V171 WeakPolarHBondContact O-CG2 3.5Å; S167-V171 PolarHBondContact O-N 3.35Å; Q168-V171 PolarHBondContact O-N 3.08Å; V171-L174 PolarHBondContact O-N 3.37Å; V171-E175 HydrophobicContact CG1-CG 4.42Å; V171-E175 WeakPolarHBondContact O-CB 3.45Å; V171-E175 WeakPolarHBondContact O-CG 3.44Å; V171-E175 PolarHBondContact O-N 3.42Å
172Y98.4Very high96.1Very high140 Ų14094.5 Ų94.555%0.54944%0.439SS..Hα-helixtrans-59.2-50.2177.1174.2-90.1000112.3Q168 A169 E175 R176Q168-Y172 WeakPolarHBondContact O-CB 3.49Å; Q168-Y172 PolarHBondContact O-N 3.33Å; A169-Y172 PolarHBondContact O-N 2.79Å; Y172-E175 PolarHBondContact O-N 2.89Å; Y172-R176 WeakPolarHBondContact O-CB 3.36Å; Y172-R176 PolarHBondContact O-N 3.03Å
173E98.4Very high96.9Very high39 Ų3990.8 Ų90.818%0.18243%0.426CS..Hα-helixtrans-68-36.5179.4-81.9-58.2132.600112.6A169 E175 R176 R177 I196A169-E173 PolarHBondContact O-N 3.47Å; A169-E173 VanDerWaalsContact O-N 3.08Å; E173-E175 VanDerWaalsContact C-N 3.35Å; E173-E175 PolarHBondContact O-N 3.24Å; E173-R176 PolarHBondContact O-N 2.94Å; E173-R176 WeakPolarHBondContact OE1-CD 3.37Å; E173-R176 IonicContact OE1-CZ 3.81Å; E173-R176 IonicContact OE1-NE 2.92Å; E173-R176 IonicContact OE1-NH1 2.72Å; E173-R176 PolarHBondContact OE1-NH1 3.26Å; E173-R176 WeakPolarHBondContact OE2-CD 3.44Å; E173-R176 IonicContact OE2-NH1 3.35Å; E173-R176 PolarHBondContact OE2-NH1 3.48Å; E173-R177 PolarHBondContact O-N 3.04Å; E173-I196 HydrophobicContact CB-CG2 3.79Å; E173-I196 HydrophobicContact CG-CG2 4.32Å
174L98.6Very high97.4Very high0 Ų084 Ų840%040%0.402CS..Hα-helixtrans-59.7-43.9171-72.7166.8000111.4F166 Q170 V171 F178 L192 I196 L198 V203 W206 F207F166-L174 HydrophobicContact CD2-CD1 4.24Å; Q170-L174 WeakPolarHBondContact O-CB 3.12Å; Q170-L174 WeakPolarHBondContact O-CD1 3.34Å; Q170-L174 WeakPolarHBondContact O-CG 3.45Å; Q170-L174 PolarHBondContact O-N 3.23Å; V171-L174 PolarHBondContact O-N 3.37Å; L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 PolarHBondContact O-N 2.92Å; L174-L192 HydrophobicContact CD2-CD2 4.26Å; L174-I196 HydrophobicContact CD1-CD1 4.27Å; L174-I196 HydrophobicContact CD2-CD1 3.67Å; L174-I196 HydrophobicContact CG-CD1 3.73Å; L174-L198 HydrophobicContact CD1-CD1 4.12Å; L174-V203 HydrophobicContact CD2-CG1 4.03Å; L174-V203 HydrophobicContact CD2-CG2 4.35Å; L174-W206 VanDerWaalsContact C-CH2 3.46Å; L174-W206 HydrophobicContact CB-CD2 3.94Å; L174-W206 HydrophobicContact CB-CE3 3.9Å; L174-W206 HydrophobicContact CB-CH2 3.65Å; L174-W206 HydrophobicContact CB-CZ2 3.68Å; L174-W206 HydrophobicContact CB-CZ3 3.78Å; L174-W206 HydrophobicContact CD1-CB 4.49Å; L174-W206 HydrophobicContact CD1-CD2 3.92Å; L174-W206 HydrophobicContact CD1-CG 3.88Å; L174-W206 HydrophobicContact CD2-CD2 4.33Å; L174-W206 HydrophobicContact CD2-CE3 4.18Å; L174-W206 HydrophobicContact CG-CD2 4.29Å; L174-W206 HydrophobicContact CG-CE3 4.44Å; L174-F207 HydrophobicContact CD2-CD2 4.32Å; L174-F207 HydrophobicContact CD2-CE2 3.85Å
175E98.3Very high97.9Very high68 Ų6880.3 Ų80.332%0.31838%0.383SS..Hα-helixtrans-71.5-35175.9-71.2-162.1162.800113.3V171 Y172 E173 F178 K179 W206 H210V171-E175 HydrophobicContact CG1-CG 4.42Å; V171-E175 WeakPolarHBondContact O-CB 3.45Å; V171-E175 WeakPolarHBondContact O-CG 3.44Å; V171-E175 PolarHBondContact O-N 3.42Å; Y172-E175 PolarHBondContact O-N 2.89Å; E173-E175 VanDerWaalsContact C-N 3.35Å; E173-E175 PolarHBondContact O-N 3.24Å; E175-F178 PolarHBondContact O-N 2.68Å; E175-K179 WeakPolarHBondContact O-CB 3.22Å; E175-K179 VanDerWaalsContact O-CG 3.25Å; E175-K179 WeakPolarHBondContact O-CG 3.16Å; E175-K179 PolarHBondContact O-N 3.08Å; E175-W206 HydrophobicContact CB-CH2 4.41Å; E175-W206 HydrophobicContact CG-CH2 3.65Å; E175-W206 HydrophobicContact CG-CZ2 3.67Å; E175-H210 IonicContact OE1-CE1 3.47Å; E175-H210 PolarHBondContact OE1-CE1 2.81Å
176R98.4Very high98.1Very high120 Ų12075.3 Ų75.345%0.45336%0.363SS..Hα-helixtrans-61.7-50.8174.3-175.9-173.5178-162.1-0.5111Y172 E173 K179 Q180Y172-R176 WeakPolarHBondContact O-CB 3.36Å; Y172-R176 PolarHBondContact O-N 3.03Å; E173-R176 PolarHBondContact O-N 2.94Å; E173-R176 WeakPolarHBondContact OE1-CD 3.37Å; E173-R176 IonicContact OE1-CZ 3.81Å; E173-R176 IonicContact OE1-NE 2.92Å; E173-R176 IonicContact OE1-NH1 2.72Å; E173-R176 PolarHBondContact OE1-NH1 3.26Å; E173-R176 WeakPolarHBondContact OE2-CD 3.44Å; E173-R176 IonicContact OE2-NH1 3.35Å; E173-R176 PolarHBondContact OE2-NH1 3.48Å; R176-K179 WeakPolarHBondContact O-CB 3.3Å; R176-K179 PolarHBondContact O-N 3.33Å; R176-Q180 PolarHBondContact O-N 3.26Å
177R98.2Very high98.1Very high85 Ų8576.5 Ų76.532%0.32138%0.377SS..Hα-helixtrans-66.8-38.3175.1-68.5-54-161.8159.67.5112.2E173 K179 Q180 Q181 L192 F207E173-R177 PolarHBondContact O-N 3.04Å; R177-K179 VanDerWaalsContact C-N 3.31Å; R177-K179 PolarHBondContact O-N 2.91Å; R177-Q180 WeakPolarHBondContact O-CB 3.49Å; R177-Q180 PolarHBondContact O-N 3.05Å; R177-Q181 PolarHBondContact O-N 3.45Å; R177-L192 HydrophobicContact CB-CD2 3.95Å; R177-L192 HydrophobicContact CG-CD1 3.82Å; R177-L192 HydrophobicContact CG-CD2 3.97Å; R177-F207 HydrophobicContact CB-CZ 4.28Å
178F98.4Very high98.1Very high6 Ų677 Ų773%0.02637%0.373CS..Hα-helixtrans-67.4-28.1175.7-174.9-100.3000113.5L174 E175 Q181 K182 W206 F207 H210 R211 M214L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 PolarHBondContact O-N 2.92Å; E175-F178 PolarHBondContact O-N 2.68Å; F178-Q181 WeakPolarHBondContact CA-O 3.46Å; F178-K182 HydrophobicContact CD1-CD 4.32Å; F178-K182 HydrophobicContact CD2-CD 4.34Å; F178-K182 HydrophobicContact CE1-CD 3.82Å; F178-K182 HydrophobicContact CE2-CB 4.04Å; F178-K182 HydrophobicContact CE2-CD 3.86Å; F178-K182 HydrophobicContact CZ-CB 4.41Å; F178-K182 HydrophobicContact CZ-CD 3.58Å; F178-K182 WeakPolarHBondContact O-CD 3.39Å; F178-K182 WeakPolarHBondContact O-CE 3.47Å; F178-K182 PolarHBondContact O-NZ 3.05Å; F178-W206 HydrophobicContact CB-CH2 4.17Å; F178-W206 HydrophobicContact CB-CZ3 3.87Å; F178-W206 HydrophobicContact CD2-CZ3 4.49Å; F178-W206 HydrophobicContact CG-CZ3 4.2Å; F178-F207 HydrophobicContact CB-CE1 4.05Å; F178-F207 HydrophobicContact CB-CZ 4.07Å; F178-F207 AromaticContact CD2-CD1 3.74Å; F178-F207 HydrophobicContact CD2-CD1 3.74Å; F178-F207 AromaticContact CD2-CE1 3.73Å; F178-F207 HydrophobicContact CD2-CE1 3.73Å; F178-F207 HydrophobicContact CD2-CZ 4.49Å; F178-F207 HydrophobicContact CE2-CD1 4.45Å; F178-F207 HydrophobicContact CG-CE1 4.4Å; F178-H210 AromaticContact CD1-CD2 3.6Å; F178-H210 AromaticContact CD1-CG 3.95Å; F178-H210 AromaticContact CD1-NE2 3.72Å; F178-H210 HydrophobicContact CE1-CB 4.5Å; F178-H210 AromaticContact CE1-CD2 3.17Å; F178-H210 WeakPolarHBondContact CE1-CD2 3.36Å; F178-H210 AromaticContact CE1-CG 3.84Å; F178-H210 AromaticContact CE1-NE2 3.59Å; F178-H210 HydrophobicContact CE2-CB 4.39Å; F178-H210 HydrophobicContact CZ-CB 4.33Å; F178-H210 AromaticContact CZ-CD2 3.68Å; F178-R211 HydrophobicContact CE2-CG 3.8Å; F178-R211 HydrophobicContact CZ-CG 4.03Å; F178-M214 HydrophobicContact CE1-SD 3.57Å; F178-M214 VanDerWaalsContact CE1-SD 3.57Å; F178-M214 HydrophobicContact CZ-SD 3.83Å
179K97.8Very high98.2Very high151 Ų15172.1 Ų72.166%0.65735%0.348SS*.Hα-helixtrans-62-46.9170.3-78.9164.9-1751740110.8E175 R176 R177 K182E175-K179 WeakPolarHBondContact O-CB 3.22Å; E175-K179 VanDerWaalsContact O-CG 3.25Å; E175-K179 WeakPolarHBondContact O-CG 3.16Å; E175-K179 PolarHBondContact O-N 3.08Å; R176-K179 WeakPolarHBondContact O-CB 3.3Å; R176-K179 PolarHBondContact O-N 3.33Å; R177-K179 VanDerWaalsContact C-N 3.31Å; R177-K179 PolarHBondContact O-N 2.91Å; K179-K182 PolarHBondContact O-NZ 3.29Å
180Q97.8Very high98.2Very high119 Ų11973.3 Ų73.356%0.55634%0.341SS*.Hα-helixtrans-62.8-50175.9-62.4168.7-10.500112.2R176 R177R176-Q180 PolarHBondContact O-N 3.26Å; R177-Q180 WeakPolarHBondContact O-CB 3.49Å; R177-Q180 PolarHBondContact O-N 3.05Å
181Q97.8Very high98.2Very high76 Ų7676.7 Ų76.736%0.35536%0.357SS..  trans-145.7122-167.3-174.5171.8-24.700111.6R177 F178 Y183 L184 E188 F207R177-Q181 PolarHBondContact O-N 3.45Å; F178-Q181 WeakPolarHBondContact CA-O 3.46Å; Q181-Y183 VanDerWaalsContact C-N 3.35Å; Q181-Y183 WeakPolarHBondContact CG-O 3.5Å; Q181-Y183 PolarHBondContact NE2-O 3.15Å; Q181-Y183 PolarHBondContact O-N 3.49Å; Q181-L184 HydrophobicContact CB-CD2 4.42Å; Q181-L184 HydrophobicContact CG-CD2 4.23Å; Q181-E188 VanDerWaalsContact NE2-CD 3.31Å; Q181-E188 PolarHBondContact NE2-OE1 3.5Å; Q181-E188 PolarHBondContact NE2-OE2 3.39Å; Q181-E188 PolarHBondContact OE1-OE1 3.07Å; Q181-F207 WeakPolarHBondContact O-CE1 3.38Å
182K97.4Very high98.2Very high82 Ų8275.3 Ų75.336%0.35735%0.348SS..SBendtrans-79-16.4-174.5-49.1-60165.7-156.60113.9F178 K179 R211F178-K182 HydrophobicContact CD1-CD 4.32Å; F178-K182 HydrophobicContact CD2-CD 4.34Å; F178-K182 HydrophobicContact CE1-CD 3.82Å; F178-K182 HydrophobicContact CE2-CB 4.04Å; F178-K182 HydrophobicContact CE2-CD 3.86Å; F178-K182 HydrophobicContact CZ-CB 4.41Å; F178-K182 HydrophobicContact CZ-CD 3.58Å; F178-K182 WeakPolarHBondContact O-CD 3.39Å; F178-K182 WeakPolarHBondContact O-CE 3.47Å; F178-K182 PolarHBondContact O-NZ 3.05Å; K179-K182 PolarHBondContact O-NZ 3.29Å; K182-R211 WeakPolarHBondContact O-CD 3.36Å
183Y98.1Very high98.2Very high159 Ų15968.7 Ų68.762%0.62432%0.323SS*.SBendtrans-138.6115.2-174.2-63.1-102.6000109.6Q181Q181-Y183 VanDerWaalsContact C-N 3.35Å; Q181-Y183 WeakPolarHBondContact CG-O 3.5Å; Q181-Y183 PolarHBondContact NE2-O 3.15Å; Q181-Y183 PolarHBondContact O-N 3.49Å
184L98.1Very high98.2Very high27 Ų2771 Ų7114%0.14134%0.343CS..  trans-95.8134.5174.4-58.2-178.9000111.2Q181 E188 R189 L192 V203 F207Q181-L184 HydrophobicContact CB-CD2 4.42Å; Q181-L184 HydrophobicContact CG-CD2 4.23Å; L184-E188 HydrophobicContact CB-CB 4.32Å; L184-E188 HydrophobicContact CD2-CB 4.23Å; L184-R189 HydrophobicContact CB-CB 4.23Å; L184-R189 HydrophobicContact CD1-CB 4.47Å; L184-R189 PolarHBondContact O-NH2 3.42Å; L184-L192 HydrophobicContact CD1-CD2 3.69Å; L184-V203 HydrophobicContact CD1-CG1 4.24Å; L184-F207 HydrophobicContact CD1-CD1 4.34Å; L184-F207 HydrophobicContact CD1-CD2 4.34Å; L184-F207 HydrophobicContact CD1-CE1 3.81Å; L184-F207 HydrophobicContact CD1-CE2 3.83Å; L184-F207 HydrophobicContact CD1-CZ 3.54Å; L184-F207 HydrophobicContact CD2-CE1 4.23Å; L184-F207 HydrophobicContact CD2-CZ 4.49Å; L184-F207 HydrophobicContact CG-CD1 4.05Å; L184-F207 HydrophobicContact CG-CE1 3.62Å; L184-F207 HydrophobicContact CG-CZ 3.91Å
185S98.3Very high98.2Very high52 Ų5275.2 Ų75.236%0.36436%0.364SS..  trans-61.8-174.6164.869.60000111.8E188 R189S185-E188 WeakPolarHBondContact CB-OE2 3.5Å; S185-E188 PolarHBondContact N-OE2 3.49Å; S185-E188 WeakPolarHBondContact OG-CG 3.13Å; S185-E188 PolarHBondContact OG-OE2 3.21Å; S185-R189 VanDerWaalsContact C-NH2 3.35Å; S185-R189 VanDerWaalsContact O-CB 3.26Å; S185-R189 WeakPolarHBondContact O-CB 3.25Å; S185-R189 VanDerWaalsContact O-CZ 3.22Å; S185-R189 PolarHBondContact O-NH2 3.33Å
186A98.1Very high98.2Very high47 Ų4772.7 Ų72.739%0.38835%0.352SS..Hα-helixtrans-66.4-60.1174.100000113.2E188 R189 E190A186-E188 PolarHBondContact O-N 3.34Å; A186-R189 WeakPolarHBondContact O-CB 3.47Å; A186-R189 PolarHBondContact O-N 3.22Å; A186-E190 PolarHBondContact O-N 3.29Å
187P98.2Very high98.2Very high85 Ų8574.9 Ų74.955%0.55237%0.367SS*.Hα-helixtrans-64.7-38-172.924.3-35.4000113.5R189 E190 H191P187-R189 PolarHBondContact O-N 3.16Å; P187-E190 PolarHBondContact O-N 2.87Å; P187-H191 WeakPolarHBondContact O-CB 3.49Å; P187-H191 PolarHBondContact O-N 3.45Å
188E98.3Very high98.1Very high70 Ų7071.8 Ų71.833%0.32736%0.357SS..Hα-helixtrans-60.3-34.6175.5-63.9165.4128.900112.1Q181 L184 S185 A186 L192Q181-E188 VanDerWaalsContact NE2-CD 3.31Å; Q181-E188 PolarHBondContact NE2-OE1 3.5Å; Q181-E188 PolarHBondContact NE2-OE2 3.39Å; Q181-E188 PolarHBondContact OE1-OE1 3.07Å; L184-E188 HydrophobicContact CB-CB 4.32Å; L184-E188 HydrophobicContact CD2-CB 4.23Å; S185-E188 WeakPolarHBondContact CB-OE2 3.5Å; S185-E188 PolarHBondContact N-OE2 3.49Å; S185-E188 WeakPolarHBondContact OG-CG 3.13Å; S185-E188 PolarHBondContact OG-OE2 3.21Å; A186-E188 PolarHBondContact O-N 3.34Å; E188-L192 WeakPolarHBondContact O-CB 3.31Å; E188-L192 PolarHBondContact O-N 2.92Å
189R98.5Very high98.1Very high50 Ų5074.7 Ų74.719%0.18938%0.376CS..Hα-helixtrans-77.4-35.3-179.4-164.8-169.8-44.8117.96.5111.7L184 S185 A186 P187 A193 P200 V203L184-R189 HydrophobicContact CB-CB 4.23Å; L184-R189 HydrophobicContact CD1-CB 4.47Å; L184-R189 PolarHBondContact O-NH2 3.42Å; S185-R189 VanDerWaalsContact C-NH2 3.35Å; S185-R189 VanDerWaalsContact O-CB 3.26Å; S185-R189 WeakPolarHBondContact O-CB 3.25Å; S185-R189 VanDerWaalsContact O-CZ 3.22Å; S185-R189 PolarHBondContact O-NH2 3.33Å; A186-R189 WeakPolarHBondContact O-CB 3.47Å; A186-R189 PolarHBondContact O-N 3.22Å; P187-R189 PolarHBondContact O-N 3.16Å; R189-A193 WeakPolarHBondContact O-CB 3.48Å; R189-A193 PolarHBondContact O-N 3.34Å; R189-P200 WeakPolarHBondContact CD-O 3.49Å; R189-V203 HydrophobicContact CG-CB 3.8Å; R189-V203 HydrophobicContact CG-CG1 3.65Å
190E98.5Very high98.2Very high97 Ų9769.9 Ų69.945%0.45336%0.359SS..Hα-helixtrans-67.5-46.1173.1-75149.8-158.600111A186 P187 L192 A193 S194 P200A186-E190 PolarHBondContact O-N 3.29Å; P187-E190 PolarHBondContact O-N 2.87Å; E190-L192 PolarHBondContact O-N 3.34Å; E190-A193 PolarHBondContact O-N 3.15Å; E190-S194 PolarHBondContact O-N 3.48Å; E190-S194 PolarHBondContact O-OG 3.43Å; E190-S194 VanDerWaalsContact O-OG 3.1Å; E190-P200 HydrophobicContact CG-CB 4.22Å; E190-P200 HydrophobicContact CG-CG 3.84Å
191H98.5Very high98.2Very high105 Ų10568.3 Ų68.349%0.48636%0.358SS..Hα-helixtrans-59-47.1173.117563.3000112.2P187 S194 M195P187-H191 WeakPolarHBondContact O-CB 3.49Å; P187-H191 PolarHBondContact O-N 3.45Å; H191-S194 PolarHBondContact O-N 3.2Å; H191-M195 VanDerWaalsContact NE2-CE 3.31Å; H191-M195 WeakPolarHBondContact NE2-CE 3.36Å; H191-M195 WeakPolarHBondContact O-CG 3.01Å; H191-M195 PolarHBondContact O-N 2.9Å; H191-M195 VanDerWaalsContact O-N 3.15Å
192L98.5Very high98.2Very high4 Ų467.9 Ų67.92%0.02136%0.356CS..Hα-helixtrans-63.5-43.8176.4-178.356.3000112.5L174 R177 L184 E188 E190 S194 M195 I196 V203 F207L174-L192 HydrophobicContact CD2-CD2 4.26Å; R177-L192 HydrophobicContact CB-CD2 3.95Å; R177-L192 HydrophobicContact CG-CD1 3.82Å; R177-L192 HydrophobicContact CG-CD2 3.97Å; L184-L192 HydrophobicContact CD1-CD2 3.69Å; E188-L192 WeakPolarHBondContact O-CB 3.31Å; E188-L192 PolarHBondContact O-N 2.92Å; E190-L192 PolarHBondContact O-N 3.34Å; L192-S194 VanDerWaalsContact C-N 3.34Å; L192-S194 PolarHBondContact O-N 3.39Å; L192-M195 HydrophobicContact CD1-CE 4Å; L192-M195 PolarHBondContact O-N 2.85Å; L192-I196 HydrophobicContact CD1-CD1 4.27Å; L192-I196 HydrophobicContact CD1-CG2 4.09Å; L192-I196 HydrophobicContact CG-CD1 4.19Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.17Å; L192-V203 HydrophobicContact CD2-CG1 4.01Å; L192-V203 HydrophobicContact CG-CG1 4.49Å; L192-F207 HydrophobicContact CD2-CE2 3.97Å; L192-F207 HydrophobicContact CD2-CZ 4.2Å
193A98.6Very high98.2Very high1 Ų164 Ų641%0.00834%0.34CS..Hα-helixtrans-56.2-47.1177.300000111.8R189 E190 I196 H197 L198 P200 V203R189-A193 WeakPolarHBondContact O-CB 3.48Å; R189-A193 PolarHBondContact O-N 3.34Å; E190-A193 PolarHBondContact O-N 3.15Å; A193-I196 PolarHBondContact O-N 2.74Å; A193-H197 PolarHBondContact O-N 2.76Å; A193-H197 VanDerWaalsContact O-N 3.07Å; A193-L198 CarbonylContact C-O 3.4Å; A193-L198 VanDerWaalsContact CB-O 3.29Å; A193-L198 WeakPolarHBondContact CB-O 3.17Å; A193-L198 PolarHBondContact O-N 3.22Å; A193-L198 VanDerWaalsContact O-O 3.1Å; A193-P200 HydrophobicContact CB-CB 4.41Å; A193-P200 HydrophobicContact CB-CG 3.92Å; A193-V203 HydrophobicContact CB-CG2 3.97Å
194S98.4Very high98.3Very high87 Ų8762.2 Ų62.261%0.60834%0.335SS*.Hα-helixtrans-60.9-45176.6-63.40000112.9E190 H191 L192 I196 H197E190-S194 PolarHBondContact O-N 3.48Å; E190-S194 PolarHBondContact O-OG 3.43Å; E190-S194 VanDerWaalsContact O-OG 3.1Å; H191-S194 PolarHBondContact O-N 3.2Å; L192-S194 VanDerWaalsContact C-N 3.34Å; L192-S194 PolarHBondContact O-N 3.39Å; S194-I196 VanDerWaalsContact C-N 3.33Å; S194-I196 PolarHBondContact O-N 3.01Å; S194-H197 PolarHBondContact O-N 3.35Å; S194-H197 PolarHBondContact O-ND1 2.89Å
195M98.1Very high98.3Very high89 Ų8964.7 Ų64.744%0.43835%0.348SS..Hα-helixtrans-63.9-32.6-179.8-74.7-172-65.100114.1H191 L192H191-M195 VanDerWaalsContact NE2-CE 3.31Å; H191-M195 WeakPolarHBondContact NE2-CE 3.36Å; H191-M195 WeakPolarHBondContact O-CG 3.01Å; H191-M195 PolarHBondContact O-N 2.9Å; H191-M195 VanDerWaalsContact O-N 3.15Å; L192-M195 HydrophobicContact CD1-CE 4Å; L192-M195 PolarHBondContact O-N 2.85Å
196I97.9Very high98.3Very high15 Ų1563.8 Ų63.88%0.07734%0.336CS..THydrogen-bonded Turntrans-107.29.2-175.473.7-172.9000113.2Q170 E173 L174 L192 A193 S194 L198 V203Q170-I196 HydrophobicContact CG-CB 4.32Å; Q170-I196 WeakPolarHBondContact CG-O 3.43Å; Q170-I196 PolarHBondContact NE2-O 2.85Å; E173-I196 HydrophobicContact CB-CG2 3.79Å; E173-I196 HydrophobicContact CG-CG2 4.32Å; L174-I196 HydrophobicContact CD1-CD1 4.27Å; L174-I196 HydrophobicContact CD2-CD1 3.67Å; L174-I196 HydrophobicContact CG-CD1 3.73Å; L192-I196 HydrophobicContact CD1-CD1 4.27Å; L192-I196 HydrophobicContact CD1-CG2 4.09Å; L192-I196 HydrophobicContact CG-CD1 4.19Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 2.74Å; S194-I196 VanDerWaalsContact C-N 3.33Å; S194-I196 PolarHBondContact O-N 3.01Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.84Å; I196-L198 HydrophobicContact CD1-CG 4.32Å; I196-L198 HydrophobicContact CG1-CB 4.08Å; I196-L198 HydrophobicContact CG1-CD1 4.07Å; I196-L198 HydrophobicContact CG1-CG 3.99Å; I196-L198 PolarHBondContact O-N 3.4Å; I196-V203 HydrophobicContact CD1-CG2 4.32Å
197H98.2Very high98.3Very high165 Ų16561.9 Ų61.976%0.76432%0.319SS*.THydrogen-bonded Turntrans50.548.4-177.5-50.7-48.4000113.5A193 S194A193-H197 PolarHBondContact O-N 2.76Å; A193-H197 VanDerWaalsContact O-N 3.07Å; S194-H197 PolarHBondContact O-N 3.35Å; S194-H197 PolarHBondContact O-ND1 2.89Å
198L97.8Very high98.3Very high21 Ų2161.8 Ų61.811%0.1131%0.311CS..  trans-119.3165.9169.3-68.7-178.4000109.9F166 L174 A193 I196 Q202 V203F166-L198 HydrophobicContact CD1-CD1 3.95Å; F166-L198 HydrophobicContact CD1-CD2 3.65Å; F166-L198 HydrophobicContact CD1-CG 4.5Å; F166-L198 HydrophobicContact CD2-CD1 4.38Å; F166-L198 HydrophobicContact CE1-CD1 3.96Å; F166-L198 HydrophobicContact CE1-CD2 3.63Å; F166-L198 HydrophobicContact CE1-CG 4.48Å; F166-L198 HydrophobicContact CE2-CD1 4.38Å; F166-L198 HydrophobicContact CG-CD1 4.19Å; F166-L198 HydrophobicContact CZ-CD1 4.19Å; L174-L198 HydrophobicContact CD1-CD1 4.12Å; A193-L198 CarbonylContact C-O 3.4Å; A193-L198 VanDerWaalsContact CB-O 3.29Å; A193-L198 WeakPolarHBondContact CB-O 3.17Å; A193-L198 PolarHBondContact O-N 3.22Å; A193-L198 VanDerWaalsContact O-O 3.1Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.84Å; I196-L198 HydrophobicContact CD1-CG 4.32Å; I196-L198 HydrophobicContact CG1-CB 4.08Å; I196-L198 HydrophobicContact CG1-CD1 4.07Å; I196-L198 HydrophobicContact CG1-CG 3.99Å; I196-L198 PolarHBondContact O-N 3.4Å; L198-Q202 HydrophobicContact CB-CB 4.35Å; L198-V203 HydrophobicContact CB-CG2 4.3Å
199T98.4Very high98.3Very high67 Ų6763 Ų6341%0.41132%0.32SS..  trans-79.1150.7170.260.70000111.3T201 Q202 V203T199-T201 PolarHBondContact O-N 2.83Å; T199-T201 VanDerWaalsContact O-N 3.11Å; T199-Q202 PolarHBondContact O-N 2.85Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.43Å; T199-Q202 VanDerWaalsContact OG1-CG 3.31Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.28Å; T199-Q202 PolarHBondContact OG1-N 2.85Å; T199-Q202 VanDerWaalsContact OG1-N 3.13Å; T199-Q202 PolarHBondContact OG1-OE1 3.32Å; T199-V203 PolarHBondContact O-N 3.02Å; T199-V203 VanDerWaalsContact O-N 3.11Å
200P98.2Very high98.2Very high49 Ų4961.8 Ų61.832%0.31832%0.317SS..Hα-helixtrans-55.3-30.5172.4-26.134.7000113R189 E190 A193 K204R189-P200 WeakPolarHBondContact CD-O 3.49Å; E190-P200 HydrophobicContact CG-CB 4.22Å; E190-P200 HydrophobicContact CG-CG 3.84Å; A193-P200 HydrophobicContact CB-CB 4.41Å; A193-P200 HydrophobicContact CB-CG 3.92Å; P200-K204 WeakPolarHBondContact O-CB 3.42Å; P200-K204 PolarHBondContact O-N 3.2Å
201T98.3Very high98.2Very high87 Ų8761 Ų6153%0.53431%0.309SS..Hα-helixtrans-67.6-42.6174.4-59.30000112.6T199 K204 I205T199-T201 PolarHBondContact O-N 2.83Å; T199-T201 VanDerWaalsContact O-N 3.11Å; T201-K204 WeakPolarHBondContact O-CB 3.33Å; T201-K204 PolarHBondContact O-N 3.24Å; T201-I205 HydrophobicContact CG2-CD1 3.94Å; T201-I205 VanDerWaalsContact O-CG1 3.31Å; T201-I205 WeakPolarHBondContact O-CG1 3.05Å; T201-I205 PolarHBondContact O-N 3.34Å
202Q98Very high98.1Very high67 Ų6762.3 Ų62.331%0.31331%0.311SS..Hα-helixtrans-62.6-42.8173.8-78.6160.4-48.600111.5F166 L198 T199 I205 W206F166-Q202 HydrophobicContact CE1-CB 4.32Å; F166-Q202 HydrophobicContact CE1-CG 4.26Å; F166-Q202 HydrophobicContact CZ-CB 3.93Å; F166-Q202 HydrophobicContact CZ-CG 4.14Å; L198-Q202 HydrophobicContact CB-CB 4.35Å; T199-Q202 PolarHBondContact O-N 2.85Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.43Å; T199-Q202 VanDerWaalsContact OG1-CG 3.31Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.28Å; T199-Q202 PolarHBondContact OG1-N 2.85Å; T199-Q202 VanDerWaalsContact OG1-N 3.13Å; T199-Q202 PolarHBondContact OG1-OE1 3.32Å; Q202-I205 PolarHBondContact O-N 3.32Å; Q202-W206 WeakPolarHBondContact O-CB 3.32Å; Q202-W206 PolarHBondContact O-N 3.23Å
203V98.4Very high98Very high1 Ų166.6 Ų66.61%0.00633%0.33CS..Hα-helixtrans-62.3-43.8174.7-176.50000110.8L174 L184 R189 L192 A193 I196 L198 T199 I205 W206 F207L174-V203 HydrophobicContact CD2-CG1 4.03Å; L174-V203 HydrophobicContact CD2-CG2 4.35Å; L184-V203 HydrophobicContact CD1-CG1 4.24Å; R189-V203 HydrophobicContact CG-CB 3.8Å; R189-V203 HydrophobicContact CG-CG1 3.65Å; L192-V203 HydrophobicContact CD2-CG1 4.01Å; L192-V203 HydrophobicContact CG-CG1 4.49Å; A193-V203 HydrophobicContact CB-CG2 3.97Å; I196-V203 HydrophobicContact CD1-CG2 4.32Å; L198-V203 HydrophobicContact CB-CG2 4.3Å; T199-V203 PolarHBondContact O-N 3.02Å; T199-V203 VanDerWaalsContact O-N 3.11Å; V203-I205 PolarHBondContact O-N 3.31Å; V203-W206 PolarHBondContact O-N 2.97Å; V203-F207 HydrophobicContact CG1-CD2 3.75Å; V203-F207 HydrophobicContact CG1-CE2 3.87Å; V203-F207 WeakPolarHBondContact O-CB 3.31Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.04Å
204K98.3Very high97.8Very high120 Ų12071.1 Ų71.152%0.52235%0.351SS..Hα-helixtrans-56.9-47.6175.6-177.3-179.4177.3-179.80111.9P200 T201 Q208P200-K204 WeakPolarHBondContact O-CB 3.42Å; P200-K204 PolarHBondContact O-N 3.2Å; T201-K204 WeakPolarHBondContact O-CB 3.33Å; T201-K204 PolarHBondContact O-N 3.24Å; K204-Q208 WeakPolarHBondContact O-CB 3.44Å; K204-Q208 PolarHBondContact O-N 3.5Å
205I98.2Very high97.6Very high80 Ų8073 Ų7341%0.4135%0.349SS..Hα-helixtrans-65.8-44.6179.4-69.5166.6000110.6T201 Q202 V203 Q208 N209T201-I205 HydrophobicContact CG2-CD1 3.94Å; T201-I205 VanDerWaalsContact O-CG1 3.31Å; T201-I205 WeakPolarHBondContact O-CG1 3.05Å; T201-I205 PolarHBondContact O-N 3.34Å; Q202-I205 PolarHBondContact O-N 3.32Å; V203-I205 PolarHBondContact O-N 3.31Å; I205-Q208 WeakPolarHBondContact O-CB 3.43Å; I205-Q208 PolarHBondContact O-N 3Å; I205-N209 WeakPolarHBondContact O-CB 3.29Å; I205-N209 VanDerWaalsContact O-CG 3.27Å; I205-N209 PolarHBondContact O-N 3.04Å
206W98.1Very high97.4Very high33 Ų3376.4 Ų76.413%0.12536%0.357CS..Hα-helixtrans-63-46178.1-171.2101000111.6F166 L174 E175 F178 Q202 V203 Q208 N209 H210F166-W206 AromaticContact CD2-CD1 3.87Å; F166-W206 HydrophobicContact CE2-CB 4.29Å; F166-W206 AromaticContact CE2-CD1 3.78Å; F166-W206 HydrophobicContact CE2-CG 4.37Å; L174-W206 VanDerWaalsContact C-CH2 3.46Å; L174-W206 HydrophobicContact CB-CD2 3.94Å; L174-W206 HydrophobicContact CB-CE3 3.9Å; L174-W206 HydrophobicContact CB-CH2 3.65Å; L174-W206 HydrophobicContact CB-CZ2 3.68Å; L174-W206 HydrophobicContact CB-CZ3 3.78Å; L174-W206 HydrophobicContact CD1-CB 4.49Å; L174-W206 HydrophobicContact CD1-CD2 3.92Å; L174-W206 HydrophobicContact CD1-CG 3.88Å; L174-W206 HydrophobicContact CD2-CD2 4.33Å; L174-W206 HydrophobicContact CD2-CE3 4.18Å; L174-W206 HydrophobicContact CG-CD2 4.29Å; L174-W206 HydrophobicContact CG-CE3 4.44Å; E175-W206 HydrophobicContact CB-CH2 4.41Å; E175-W206 HydrophobicContact CG-CH2 3.65Å; E175-W206 HydrophobicContact CG-CZ2 3.67Å; F178-W206 HydrophobicContact CB-CH2 4.17Å; F178-W206 HydrophobicContact CB-CZ3 3.87Å; F178-W206 HydrophobicContact CD2-CZ3 4.49Å; F178-W206 HydrophobicContact CG-CZ3 4.2Å; Q202-W206 WeakPolarHBondContact O-CB 3.32Å; Q202-W206 PolarHBondContact O-N 3.23Å; V203-W206 PolarHBondContact O-N 2.97Å; W206-Q208 VanDerWaalsContact C-N 3.26Å; W206-Q208 PolarHBondContact O-N 3.39Å; W206-N209 PolarHBondContact O-N 2.9Å; W206-H210 HydrophobicContact CE3-CB 4.2Å; W206-H210 HydrophobicContact CH2-CB 4.28Å; W206-H210 AromaticContact CH2-CE1 3.77Å; W206-H210 AromaticContact CH2-CG 3.89Å; W206-H210 AromaticContact CH2-ND1 3.01Å; W206-H210 WeakPolarHBondContact CH2-ND1 3.31Å; W206-H210 AromaticContact CZ2-ND1 3.3Å; W206-H210 VanDerWaalsContact CZ2-ND1 3.3Å; W206-H210 WeakPolarHBondContact CZ2-ND1 3.5Å; W206-H210 HydrophobicContact CZ3-CB 3.99Å; W206-H210 AromaticContact CZ3-ND1 3.61Å; W206-H210 WeakPolarHBondContact O-CB 3.43Å; W206-H210 PolarHBondContact O-N 3.46Å
207F98.6Very high97.1Very high7 Ų780.8 Ų80.83%0.03138%0.377CS..Hα-helixtrans-65-27.7176.2-90.6-107.7000112.8L174 R177 F178 Q181 L184 L192 V203 R211L174-F207 HydrophobicContact CD2-CD2 4.32Å; L174-F207 HydrophobicContact CD2-CE2 3.85Å; R177-F207 HydrophobicContact CB-CZ 4.28Å; F178-F207 HydrophobicContact CB-CE1 4.05Å; F178-F207 HydrophobicContact CB-CZ 4.07Å; F178-F207 AromaticContact CD2-CD1 3.74Å; F178-F207 HydrophobicContact CD2-CD1 3.74Å; F178-F207 AromaticContact CD2-CE1 3.73Å; F178-F207 HydrophobicContact CD2-CE1 3.73Å; F178-F207 HydrophobicContact CD2-CZ 4.49Å; F178-F207 HydrophobicContact CE2-CD1 4.45Å; F178-F207 HydrophobicContact CG-CE1 4.4Å; Q181-F207 WeakPolarHBondContact O-CE1 3.38Å; L184-F207 HydrophobicContact CD1-CD1 4.34Å; L184-F207 HydrophobicContact CD1-CD2 4.34Å; L184-F207 HydrophobicContact CD1-CE1 3.81Å; L184-F207 HydrophobicContact CD1-CE2 3.83Å; L184-F207 HydrophobicContact CD1-CZ 3.54Å; L184-F207 HydrophobicContact CD2-CE1 4.23Å; L184-F207 HydrophobicContact CD2-CZ 4.49Å; L184-F207 HydrophobicContact CG-CD1 4.05Å; L184-F207 HydrophobicContact CG-CE1 3.62Å; L184-F207 HydrophobicContact CG-CZ 3.91Å; L192-F207 HydrophobicContact CD2-CE2 3.97Å; L192-F207 HydrophobicContact CD2-CZ 4.2Å; V203-F207 HydrophobicContact CG1-CD2 3.75Å; V203-F207 HydrophobicContact CG1-CE2 3.87Å; V203-F207 WeakPolarHBondContact O-CB 3.31Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.04Å; F207-R211 WeakPolarHBondContact O-CG 3.11Å; F207-R211 PolarHBondContact O-N 3.31Å; F207-R211 PolarHBondContact O-NE 3.3Å
208Q98.3Very high96.6Very high82 Ų8276 Ų7638%0.38337%0.366SS..Hα-helixtrans-71-53.1170.3-171.5168.32700110.7K204 I205 W206 H210 R211 Y212K204-Q208 WeakPolarHBondContact O-CB 3.44Å; K204-Q208 PolarHBondContact O-N 3.5Å; I205-Q208 WeakPolarHBondContact O-CB 3.43Å; I205-Q208 PolarHBondContact O-N 3Å; W206-Q208 VanDerWaalsContact C-N 3.26Å; W206-Q208 PolarHBondContact O-N 3.39Å; Q208-H210 VanDerWaalsContact C-N 3.32Å; Q208-H210 PolarHBondContact O-N 3.12Å; Q208-R211 PolarHBondContact O-N 3.13Å; Q208-Y212 HydrophobicContact CG-CD2 3.88Å; Q208-Y212 HydrophobicContact CG-CE2 3.77Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.44Å; Q208-Y212 PolarHBondContact O-N 2.89Å
209N97.9Very high96.2Very high97 Ų9782.2 Ų82.252%0.51939%0.392SS..Hα-helixtrans-59.4-39.1-179.6-70.7-13.6000112.4I205 W206 Y212 K213I205-N209 WeakPolarHBondContact O-CB 3.29Å; I205-N209 VanDerWaalsContact O-CG 3.27Å; I205-N209 PolarHBondContact O-N 3.04Å; W206-N209 PolarHBondContact O-N 2.9Å; N209-Y212 PolarHBondContact O-N 3.29Å; N209-K213 WeakPolarHBondContact O-CB 3.35Å; N209-K213 PolarHBondContact O-N 3.07Å
210H97.8Very high95.6Very high24 Ų2481.8 Ų81.811%0.11139%0.387CS..Hα-helixtrans-65.1-43.1177.5-154.4122.3000111.9E175 F178 W206 Q208 Y212 K213 M214E175-H210 IonicContact OE1-CE1 3.47Å; E175-H210 PolarHBondContact OE1-CE1 2.81Å; F178-H210 AromaticContact CD1-CD2 3.6Å; F178-H210 AromaticContact CD1-CG 3.95Å; F178-H210 AromaticContact CD1-NE2 3.72Å; F178-H210 HydrophobicContact CE1-CB 4.5Å; F178-H210 AromaticContact CE1-CD2 3.17Å; F178-H210 WeakPolarHBondContact CE1-CD2 3.36Å; F178-H210 AromaticContact CE1-CG 3.84Å; F178-H210 AromaticContact CE1-NE2 3.59Å; F178-H210 HydrophobicContact CE2-CB 4.39Å; F178-H210 HydrophobicContact CZ-CB 4.33Å; F178-H210 AromaticContact CZ-CD2 3.68Å; W206-H210 HydrophobicContact CE3-CB 4.2Å; W206-H210 HydrophobicContact CH2-CB 4.28Å; W206-H210 AromaticContact CH2-CE1 3.77Å; W206-H210 AromaticContact CH2-CG 3.89Å; W206-H210 AromaticContact CH2-ND1 3.01Å; W206-H210 WeakPolarHBondContact CH2-ND1 3.31Å; W206-H210 AromaticContact CZ2-ND1 3.3Å; W206-H210 VanDerWaalsContact CZ2-ND1 3.3Å; W206-H210 WeakPolarHBondContact CZ2-ND1 3.5Å; W206-H210 HydrophobicContact CZ3-CB 3.99Å; W206-H210 AromaticContact CZ3-ND1 3.61Å; W206-H210 WeakPolarHBondContact O-CB 3.43Å; W206-H210 PolarHBondContact O-N 3.46Å; Q208-H210 VanDerWaalsContact C-N 3.32Å; Q208-H210 PolarHBondContact O-N 3.12Å; H210-Y212 PolarHBondContact O-N 3.1Å; H210-K213 WeakPolarHBondContact O-CB 3.26Å; H210-K213 PolarHBondContact O-N 2.98Å; H210-M214 PolarHBondContact O-N 3.33Å
211R97.8Very high95Very high79 Ų7986.3 Ų86.330%0.29840%0.402SS..Hα-helixtrans-62.9-40.6173.6-74.6178.7-71.8144.1-3.4112.3F178 K182 F207 Q208 K215F178-R211 HydrophobicContact CE2-CG 3.8Å; F178-R211 HydrophobicContact CZ-CG 4.03Å; K182-R211 WeakPolarHBondContact O-CD 3.36Å; F207-R211 WeakPolarHBondContact O-CG 3.11Å; F207-R211 PolarHBondContact O-N 3.31Å; F207-R211 PolarHBondContact O-NE 3.3Å; Q208-R211 PolarHBondContact O-N 3.13Å; R211-K215 WeakPolarHBondContact O-CB 3.41Å; R211-K215 PolarHBondContact O-N 3.08Å
212Y97.6Very high94.3Very high133 Ų13384.8 Ų84.852%0.52240%0.398SS..Hα-helixtrans-63.6-41.4173.4-86.4-82.4000112Q208 N209 H210 K215 R216Q208-Y212 HydrophobicContact CG-CD2 3.88Å; Q208-Y212 HydrophobicContact CG-CE2 3.77Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.44Å; Q208-Y212 PolarHBondContact O-N 2.89Å; N209-Y212 PolarHBondContact O-N 3.29Å; H210-Y212 PolarHBondContact O-N 3.1Å; Y212-K215 PolarHBondContact O-N 3.13Å; Y212-R216 VanDerWaalsContact O-CB 3.28Å; Y212-R216 WeakPolarHBondContact O-CB 3.43Å; Y212-R216 PolarHBondContact O-N 3.45Å
213K95.8Very high93.6Very high95 Ų9583.8 Ų83.841%0.41340%0.401SS..Hα-helixtrans-57-51.6175.4-172.5-178.970.6174.20111.4N209 H210 R216 Q217N209-K213 WeakPolarHBondContact O-CB 3.35Å; N209-K213 PolarHBondContact O-N 3.07Å; H210-K213 WeakPolarHBondContact O-CB 3.26Å; H210-K213 PolarHBondContact O-N 2.98Å; K213-R216 PolarHBondContact O-N 3.48Å; K213-Q217 WeakPolarHBondContact O-CG 3.17Å; K213-Q217 PolarHBondContact O-N 3Å
214M93.5Very high92.7Very high95 Ų9590.2 Ų90.247%0.46843%0.431SS..Hα-helixtrans-59.8-49.1177.1-72.8-171.175.600112.3F178 H210 R216 Q217 A218F178-M214 HydrophobicContact CE1-SD 3.57Å; F178-M214 VanDerWaalsContact CE1-SD 3.57Å; F178-M214 HydrophobicContact CZ-SD 3.83Å; H210-M214 PolarHBondContact O-N 3.33Å; M214-R216 VanDerWaalsContact C-N 3.25Å; M214-R216 PolarHBondContact O-N 2.89Å; M214-Q217 PolarHBondContact O-N 3.48Å; M214-A218 PolarHBondContact O-N 2.89Å
215K94.6Very high91.6Very high126 Ų12691 Ų9155%0.54844%0.437SS..Hα-helixtrans-61.5-34.6179.8-175.5171.466.1176.30112.3R211 Y212 K219R211-K215 WeakPolarHBondContact O-CB 3.41Å; R211-K215 PolarHBondContact O-N 3.08Å; Y212-K215 PolarHBondContact O-N 3.13Å; K215-K219 PolarHBondContact O-N 3.11Å
216R94.4Very high90.3Very high161 Ų16194 Ų9461%0.60845%0.449SS*.Hα-helixtrans-70.3-48.8176.7-174.467.8-149-157.210.7111.2Y212 K213 M214 A218 K219 D220Y212-R216 VanDerWaalsContact O-CB 3.28Å; Y212-R216 WeakPolarHBondContact O-CB 3.43Å; Y212-R216 PolarHBondContact O-N 3.45Å; K213-R216 PolarHBondContact O-N 3.48Å; M214-R216 VanDerWaalsContact C-N 3.25Å; M214-R216 PolarHBondContact O-N 2.89Å; R216-A218 VanDerWaalsContact C-N 3.28Å; R216-A218 PolarHBondContact O-N 2.89Å; R216-K219 PolarHBondContact O-N 3Å; R216-K219 VanDerWaalsContact O-N 3.07Å; R216-D220 WeakPolarHBondContact CG-OD2 3.32Å; R216-D220 IonicContact CZ-OD1 3.8Å; R216-D220 IonicContact CZ-OD2 2.91Å; R216-D220 VanDerWaalsContact NE-CG 3.31Å; R216-D220 IonicContact NE-OD1 3.64Å; R216-D220 PolarHBondContact NE-OD1 3.29Å; R216-D220 IonicContact NE-OD2 2.68Å; R216-D220 PolarHBondContact NE-OD2 3.33Å; R216-D220 IonicContact NH2-OD1 3.18Å; R216-D220 PolarHBondContact NH2-OD1 3.44Å; R216-D220 IonicContact NH2-OD2 3.8Å; R216-D220 PolarHBondContact O-N 2.91Å
217Q90.9Very high88.9Confident107 Ų10798.6 Ų98.650%0.548%0.475SS..Hα-helixtrans-57.9-37.1177-73.5175.5-15.500113.2K213 M214 K221K213-Q217 WeakPolarHBondContact O-CG 3.17Å; K213-Q217 PolarHBondContact O-N 3Å; M214-Q217 PolarHBondContact O-N 3.48Å; Q217-K221 WeakPolarHBondContact O-CB 3.34Å; Q217-K221 WeakPolarHBondContact O-CG 3.26Å; Q217-K221 PolarHBondContact O-N 3.11Å; Q217-K221 VanDerWaalsContact O-N 3.08Å
218A88Confident87.1Confident65 Ų65105.2 Ų105.254%0.53751%0.506SS..Hα-helixtrans-62.7-42.9174.800000112.5M214 R216 A222M214-A218 PolarHBondContact O-N 2.89Å; R216-A218 VanDerWaalsContact C-N 3.28Å; R216-A218 PolarHBondContact O-N 2.89Å; A218-A222 PolarHBondContact O-N 3.37Å
219K88.5Confident85.1Confident151 Ų151108.6 Ų108.666%0.65752%0.522SS*.Hα-helixtrans-69.9-42.1177.3-70.6-161.4171.6-148.70112.8K215 R216 K221 A222 A223K215-K219 PolarHBondContact O-N 3.11Å; R216-K219 PolarHBondContact O-N 3Å; R216-K219 VanDerWaalsContact O-N 3.07Å; K219-K221 VanDerWaalsContact C-N 3.31Å; K219-K221 PolarHBondContact O-N 2.88Å; K219-A222 PolarHBondContact O-N 2.84Å; K219-A223 PolarHBondContact O-N 3.24Å
220D86.4Confident83.1Confident58 Ų58111 Ų11131%0.3154%0.535SS..Hα-helixtrans-67.5-33.5-178.3-64.7-25.6000111.7R216 Q224R216-D220 WeakPolarHBondContact CG-OD2 3.32Å; R216-D220 IonicContact CZ-OD1 3.8Å; R216-D220 IonicContact CZ-OD2 2.91Å; R216-D220 VanDerWaalsContact NE-CG 3.31Å; R216-D220 IonicContact NE-OD1 3.64Å; R216-D220 PolarHBondContact NE-OD1 3.29Å; R216-D220 IonicContact NE-OD2 2.68Å; R216-D220 PolarHBondContact NE-OD2 3.33Å; R216-D220 IonicContact NH2-OD1 3.18Å; R216-D220 PolarHBondContact NH2-OD1 3.44Å; R216-D220 IonicContact NH2-OD2 3.8Å; R216-D220 PolarHBondContact O-N 2.91Å; D220-Q224 WeakPolarHBondContact O-CG 3.35Å; D220-Q224 PolarHBondContact O-N 2.87Å
221K85.1Confident81Confident145 Ų145114.8 Ų114.863%0.6356%0.564SS**Hα-helixtrans-64.3-44.6170.9-79-173.2172.9-164.70113.1Q217 K219 A223 Q224 Q225Q217-K221 WeakPolarHBondContact O-CB 3.34Å; Q217-K221 WeakPolarHBondContact O-CG 3.26Å; Q217-K221 PolarHBondContact O-N 3.11Å; Q217-K221 VanDerWaalsContact O-N 3.08Å; K219-K221 VanDerWaalsContact C-N 3.31Å; K219-K221 PolarHBondContact O-N 2.88Å; K221-A223 VanDerWaalsContact C-N 3.33Å; K221-A223 PolarHBondContact O-N 3.49Å; K221-Q224 PolarHBondContact O-N 2.94Å; K221-Q225 PolarHBondContact O-N 3Å
222A83.2Confident78.5Confident55 Ų55113.9 Ų113.946%0.45558%0.579SS.*Hα-helixtrans-62.3-41.8177.800000111.6A218 K219 Q224 Q225 Q226A218-A222 PolarHBondContact O-N 3.37Å; K219-A222 PolarHBondContact O-N 2.84Å; A222-Q224 PolarHBondContact O-N 2.9Å; A222-Q225 PolarHBondContact O-N 3.27Å; A222-Q226 PolarHBondContact O-N 3.29Å; A222-Q226 VanDerWaalsContact O-N 3.15Å
223A83.8Confident75.8Confident45 Ų45111.3 Ų111.337%0.37259%0.593SS.*Hα-helixtrans-62.1-41.7174.500000112.5K219 K221 Q225 Q226 L227K219-A223 PolarHBondContact O-N 3.24Å; K221-A223 VanDerWaalsContact C-N 3.33Å; K221-A223 PolarHBondContact O-N 3.49Å; A223-Q225 PolarHBondContact O-N 3.36Å; A223-Q226 PolarHBondContact O-N 2.79Å; A223-L227 VanDerWaalsContact O-CD1 3.22Å; A223-L227 WeakPolarHBondContact O-CD1 3.35Å; A223-L227 PolarHBondContact O-N 3.05Å; A223-L227 VanDerWaalsContact O-N 3.16Å
224Q79.8Confident73.2Confident137 Ų137110.6 Ų110.664%0.6461%0.613SS**Hα-helixtrans-64-38.6176.5-76.9177.1-1800112.7D220 K221 A222 Q226 L227 Q228D220-Q224 WeakPolarHBondContact O-CG 3.35Å; D220-Q224 PolarHBondContact O-N 2.87Å; K221-Q224 PolarHBondContact O-N 2.94Å; A222-Q224 PolarHBondContact O-N 2.9Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q224-Q226 PolarHBondContact O-N 3.26Å; Q224-L227 PolarHBondContact O-N 3.04Å; Q224-Q228 PolarHBondContact O-N 2.93Å; Q224-Q228 VanDerWaalsContact O-N 3.12Å
225Q76.3Confident70.7Confident135 Ų135110 Ų11063%0.63163%0.631SS**Hα-helixtrans-63.5-38.8175-73.1175.6-30.200112.2K221 A222 A223 Q228 Q229K221-Q225 PolarHBondContact O-N 3Å; A222-Q225 PolarHBondContact O-N 3.27Å; A223-Q225 PolarHBondContact O-N 3.36Å; Q225-Q228 WeakPolarHBondContact O-CB 3.1Å; Q225-Q228 PolarHBondContact O-N 2.75Å; Q225-Q229 PolarHBondContact O-N 2.95Å
226Q69.8Low67.9Low144 Ų144108 Ų10867%0.67365%0.646SS**Hα-helixtrans-65.2-41.5177.3-169.1174.4-2.400112.3A222 A223 Q224 Q228 Q229A222-Q226 PolarHBondContact O-N 3.29Å; A222-Q226 VanDerWaalsContact O-N 3.15Å; A223-Q226 PolarHBondContact O-N 2.79Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q224-Q226 PolarHBondContact O-N 3.26Å; Q226-Q228 VanDerWaalsContact C-N 3.27Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q226-Q229 PolarHBondContact O-N 2.87Å
227L68.5Low65.1Low129 Ų129104 Ų10468%0.67566%0.656SS**Hα-helixtrans-67.7-25.7174.3-87.378.6000113A223 Q224A223-L227 VanDerWaalsContact O-CD1 3.22Å; A223-L227 WeakPolarHBondContact O-CD1 3.35Å; A223-L227 PolarHBondContact O-N 3.05Å; A223-L227 VanDerWaalsContact O-N 3.16Å; Q224-L227 PolarHBondContact O-N 3.04Å
228Q61.3Low62.4Low147 Ų147103.1 Ų103.169%0.68768%0.675SS**Hα-helixtrans-73.5-32.9179.5-154.778.784.800112.3Q224 Q225 Q226 G232Q224-Q228 PolarHBondContact O-N 2.93Å; Q224-Q228 VanDerWaalsContact O-N 3.12Å; Q225-Q228 WeakPolarHBondContact O-CB 3.1Å; Q225-Q228 PolarHBondContact O-N 2.75Å; Q226-Q228 VanDerWaalsContact C-N 3.27Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q228-G232 PolarHBondContact O-N 2.58Å
229Q57Low59.9Low152 Ų152103.7 Ų103.771%0.7169%0.687SS**Hα-helixtrans-72.9-37.8-179.3-71-179.8-8.700112.6Q225 Q226 S231 G232Q225-Q229 PolarHBondContact O-N 2.95Å; Q226-Q229 PolarHBondContact O-N 2.87Å; Q229-S231 PolarHBondContact O-N 3.29Å; Q229-S231 VanDerWaalsContact O-N 3.17Å; Q229-G232 PolarHBondContact O-N 3.4Å
230D54.4Low57.4Low148 Ų148100.4 Ų100.479%0.79170%0.696SS**Hα-helixtrans-60.6-23.7176.8-168.264000113.2
231S55.1Low55Low103 Ų103102.9 Ų102.972%0.7273%0.725SS**THydrogen-bonded Turntrans-103.26.8175.9-59.90000114.4Q229Q229-S231 PolarHBondContact O-N 3.29Å; Q229-S231 VanDerWaalsContact O-N 3.17Å
232G43.7Very low52.5Low60 Ų6099.7 Ų99.762%0.61973%0.733SS**THydrogen-bonded Turntrans-116.1-8.6-17600000115.8Q228 Q229 G234Q228-G232 PolarHBondContact O-N 2.58Å; Q229-G232 PolarHBondContact O-N 3.4Å; G232-G234 PolarHBondContact O-N 3Å
233G42.7Very low50.2Low79 Ų79103 Ų10381%0.81475%0.751SS**  trans-77.342.2-171.700000116.7
234G41Very low48.7Very low81 Ų81106.3 Ų106.384%0.83577%0.769SS**  trans-93.692.9-176.200000114.7G232G232-G234 PolarHBondContact O-N 3Å
235G39.5Very low46.6Very low81 Ų81106.7 Ų106.784%0.83577%0.771SS**  trans136.9101.5164.700000114.7
236G36.3Very low44.6Very low85 Ų85107.4 Ų107.488%0.87677%0.774SS**  trans-164-0.7-174.700000119.1
237G35.5Very low43.1Very low78 Ų78106.5 Ų106.580%0.80477%0.77SS**  trans93.7114.4164.700000118.5
238G34.8Very low41.7Very low87 Ų87108.4 Ų108.490%0.89778%0.775SS**  trans82.6122.4154.500000117.9
239G34.8Very low41.2Very low78 Ų78106.2 Ų106.280%0.80478%0.783SS**  cis171.5132.3-9.700000113.6
240G37.1Very low40.5Very low82 Ų82107.9 Ų107.985%0.84579%0.79SS**  trans79.6144.6172.400000115.7
241A35.8Very low40.4Very low110 Ų110110.4 Ų110.491%0.90980%0.797SS**  cis-158148.6-14.400000109.4
242G32.3Very low39.6Very low77 Ų77113.6 Ų113.679%0.79480%0.801SS**  trans149.886.517300000116.6
243C33.8Very low39.4Very low125 Ų125115.6 Ų115.685%0.84581%0.805SS**  trans-133.9154.3160-60.40000106
244P53.3Low39.9Very low115 Ų115117.5 Ų117.575%0.74780%0.804SS**  cis-112.4-168.133.912.413.6000112.2
245Q35Very low40Very low145 Ų145124.5 Ų124.568%0.67881%0.805SS**  cis-161.6124.337.5-175.977.92100111.8
246Q35.5Very low40.3Very low150 Ų150132.3 Ų132.370%0.70181%0.809SS**  trans44.9125.2136.7-139-174.6-2.700121.3
247Q38Very low40.8Very low124 Ų124134.3 Ų134.358%0.57980%0.804SS**  159.6127.1108.3-167.369.4-0.600113.7
248Q39.3Very low41.2Very low169 Ų169135 Ų13579%0.7980%0.802SS**  trans53.1128.1158.8-73.4163.9-16.900121.9
249A49.7Very low41.3Very low102 Ų102136.4 Ų136.484%0.84379%0.793SS**  trans-88.9129167.600000111.9
250Q42.5Very low42.3Very low187 Ų187137.7 Ų137.787%0.87479%0.787SS**  trans-141.1152159.6-95-172.3-2.600110.6Q252Q250-Q252 PolarHBondContact O-N 3.22Å
251Q51.7Low42.9Very low200 Ų200139.8 Ų139.894%0.93578%0.783SS**  trans-67.2119.3-171-60.8167.54.400111.3S253Q251-S253 PolarHBondContact O-N 2.84Å
252Q39.6Very low43.8Very low171 Ų171141.9 Ų141.980%0.79978%0.778SS**  trans-92.9105.8177.4-68.7-150.8-8.200113Q250Q250-Q252 PolarHBondContact O-N 3.22Å
253S39.6Very low45Very low101 Ų101144.6 Ų144.671%0.70678%0.779SS**PPolyproline II helixtrans-59.4160.8160-157.70000111Q251 R255Q251-S253 PolarHBondContact O-N 2.84Å; S253-R255 PolarHBondContact O-N 3.18Å
254P51.7Low45.5Very low120 Ų120147 Ų14778%0.77978%0.775SS**SBendtrans-54.5132.8-167.2-3037.3000115.6R256P254-R256 PolarHBondContact O-N 3.41Å
255R45Very low44.9Very low227 Ų227148.2 Ų148.286%0.85778%0.776SS**PPolyproline II helixtrans-53.8120.2-174.2-62.3-178.2179.5-142.91.9112.3S253S253-R255 PolarHBondContact O-N 3.18Å
256R45.3Very low44.9Very low245 Ų245145.2 Ų145.293%0.92578%0.784SS**PPolyproline II helixtrans-78.9129.4161.2-83.6-172.8172.1-107.72.2109.7P254 A258P254-R256 PolarHBondContact O-N 3.41Å; R256-A258 PolarHBondContact O-N 3.22Å
257V45.9Very low45.1Very low127 Ų127147.9 Ų147.977%0.7779%0.793SS**PPolyproline II helixtrans-74.6119.7168.2177.50000108.5V259V257-V259 HydrophobicContact CG1-CG2 4.33Å
258A43.8Very low45.4Very low94 Ų94147.5 Ų147.578%0.77780%0.801SS**PPolyproline II helixtrans-79.9120.2165.900000108.7R256 P260R256-A258 PolarHBondContact O-N 3.22Å; A258-P260 WeakPolarHBondContact O-CD 3.35Å
259V37.8Very low45.1Very low116 Ų116145.7 Ų145.770%0.70381%0.806SS**  trans-95.4113.6173.8178.90000107.8V257 V261V257-V259 HydrophobicContact CG1-CG2 4.33Å; V259-V261 PolarHBondContact O-N 3.16Å
260P54.7Low44.6Very low105 Ų105150.2 Ų150.268%0.68281%0.81SS**  trans-68.6119.6174.127.7-32.5000109.5A258 L262A258-P260 WeakPolarHBondContact O-CD 3.35Å; P260-L262 PolarHBondContact O-N 2.94Å
261V49.8Very low44.1Very low125 Ų125146.5 Ų146.576%0.75881%0.81SS**  trans-77.9102.7174.5179.30000108.4V259 V263V259-V261 PolarHBondContact O-N 3.16Å; V261-V263 VanDerWaalsContact C-N 3.35Å; V261-V263 HydrophobicContact CG1-CG2 4.21Å; V261-V263 PolarHBondContact O-N 3.07Å
262L54.5Low43.3Very low154 Ų154141 Ų14181%0.80681%0.808SS**  trans-69.393.7166.6-88.371.7000109P260P260-L262 PolarHBondContact O-N 2.94Å
263V57.8Low43.4Very low134 Ų134137.4 Ų137.481%0.81281%0.808SS**  trans-68.7127.1160178.50000107.4V261V261-V263 VanDerWaalsContact C-N 3.35Å; V261-V263 HydrophobicContact CG1-CG2 4.21Å; V261-V263 PolarHBondContact O-N 3.07Å
264K45.5Very low43.7Very low175 Ų175138.1 Ų138.176%0.76181%0.809SS**  trans-103.9122.4-171.3-173.4175.9179.3179.30112.1
265D41Very low43.2Very low141 Ų141136.7 Ų136.775%0.75481%0.808SS**  trans44100.3158.2-62.3-59.8000118.8
266G34.9Very low43.2Very low82 Ų82132.3 Ų132.385%0.84581%0.809SS**  trans-127122.7153.600000109.4
267K39.8Very low42.6Very low207 Ų207124.5 Ų124.590%0.980%0.804SS**  trans-84.4159.1-173.7-98.5-176.4175.2179.60113.2
268P44.4Very low42Very low115 Ų115123.1 Ų123.175%0.74781%0.806SS**  trans-91.3168.1-159.236.7-38.6000114.9
269C32Very low41.5Very low132 Ų132123.3 Ų123.389%0.89281%0.808SS**  trans-125.5132.8162.9-55.20000109.1
270Q39.3Very low41.2Very low197 Ų197122.7 Ų122.792%0.92181%0.809SS**  trans-101.6144.6171.9-71.2-174.1300110.7
271A32.8Very low40.6Very low108 Ų108125.1 Ų125.189%0.89382%0.815SS**  trans-155.8134.615600000109
272G34.6Very low39.8Very low86 Ų86128 Ų12889%0.88782%0.821SS**  trans115.7112.4178.500000114.1
273A41.3Very low38.6Very low95 Ų95123.6 Ų123.679%0.78581%0.812SS**  trans-131.3-176.9173.800000107.7
274P46.7Very low37.7Very low115 Ų115126.8 Ų126.875%0.74782%0.817SS**  cis-139.6166.50.241.8-24.5000117.2
275A40.8Very low37.2Very low91 Ų91122.4 Ų122.475%0.75281%0.814SS**  trans67.3173.714600000119.1
276P44.3Very low36.8Very low135 Ų135124.6 Ų124.688%0.87782%0.82SS**  -132.1158-67.738.4-25.3000114.4
277G32.8Very low37.1Very low80 Ų80128.8 Ų128.883%0.82582%0.818SS**  trans-150.2134.417200000111.4
278A32.8Very low37.2Very low98 Ų98125.5 Ų125.581%0.8181%0.805SS**  trans-87.4156.7-164.700000115
279A34Very low36.8Very low99 Ų99124.6 Ų124.682%0.81881%0.808SS**  trans62.2153.5130.300000120.6
280S30.8Very low37.2Very low103 Ų103126.7 Ų126.772%0.7281%0.805SS**  cis-168.7177.9-19.1-173.50000108
281L42Very low37.6Very low155 Ų155126.8 Ų126.881%0.81281%0.805SS**  trans68.2126170.5-57.3153.6000114.9
282Q33.2Very low37.8Very low187 Ų187130.4 Ų130.487%0.87480%0.803SS**  cis81.6114.420.5-162.6175.6-20.500116.4
283G29.1Very low37.9Very low60 Ų60130.4 Ų130.462%0.61980%0.795SS**  trans92.8119.916100000115.6
284H40.3Very low37.9Very low201 Ų201135.2 Ų135.293%0.93180%0.801SS**  -161154.292.5-94.577.6000109.5
285A33.5Very low37.5Very low84 Ų84134.8 Ų134.869%0.69481%0.807SS**  trans-128159.3-178.600000111.1
286Q33.9Very low37.3Very low186 Ų186134.8 Ų134.887%0.86981%0.808SS**  trans56.7103.6143.8-177.3-176-21.100117.8
287Q41.7Very low37Very low171 Ų171138 Ų13880%0.79981%0.811SS**  trans-147.6158.3141.6-133.1174.7-41.400114.3
288Q40.8Very low37.1Very low137 Ų137138.8 Ų138.864%0.6481%0.81SS**  trans-26.1147.5-177.4-70.1138.2-29.200118
289A36Very low37.1Very low97 Ų97138.9 Ų138.980%0.80281%0.81SS**  cis67.563.317.300000116.7
290Q41.4Very low37Very low176 Ų176138.8 Ų138.882%0.82281%0.809SS**  trans-167.4112.8154.5-117.1174.3-5.800113.4
291Q46Very low37.1Very low198 Ų198138.8 Ų138.893%0.92582%0.816SS**  trans-168.7142.7136.4-151.195.781.100108.7
292Q38.8Very low36.7Very low184 Ų184135.9 Ų135.986%0.8681%0.814SS**  trans-146.5150.3177.3-172.8-179.54.300110.3
293A36.7Very low36.6Very low86 Ų86134.9 Ų134.971%0.71181%0.813SS**  trans65.6125166.100000118.5
294Q39.7Very low36.9Very low196 Ų196136.9 Ų136.992%0.91682%0.817SS**  -164.5168.3125.7-107.3169.226.300111.1
295A38.3Very low36.6Very low106 Ų106133.8 Ų133.888%0.87681%0.812SS**  trans63.687.9169.300000119
296A36.9Very low36.5Very low92 Ų92133 Ų13376%0.7681%0.813SS**  trans-138.1116.214400000108.9
297Q37.9Very low36.5Very low203 Ų203130.3 Ų130.395%0.94982%0.815SS**  trans-179.5117.3164.2-106.3157.94300113
298A35.5Very low36.1Very low96 Ų96126 Ų12679%0.79382%0.815SS**  trans160.7118.5159.900000106.5
299A32.6Very low35.6Very low100 Ų100123.5 Ų123.583%0.82683%0.826SS**  cis67.8130.716.900000115.1
300A31.4Very low35.8Very low96 Ų96124.3 Ų124.379%0.79383%0.833SS**  cis-165.6-178.8-12.600000111
301A33.4Very low35.4Very low104 Ų104119.7 Ų119.786%0.8683%0.833SS**  trans75.1156.217200000116.7
302A32.6Very low35.2Very low94 Ų94119.2 Ų119.278%0.77784%0.836SS**  cis-145.3178.99.500000114.1
303I31.7Very low35Very low166 Ų166114.4 Ų114.485%0.85184%0.836SS**  trans-147.3166.6179.147.9168.2000109
304S35.2Very low34.9Very low101 Ų101114.5 Ų114.571%0.70684%0.836SS**  cis-143.5-163.110-137.90000108.9
305V35.1Very low34.8Very low136 Ų136113.2 Ų113.282%0.82483%0.83SS**  cis-132.2-148.216.3-138.90000109.5
306G30.5Very low35.6Very low69 Ų69114.2 Ų114.271%0.71183%0.827SS**  cis102.3149.611.600000113.5
307S34.1Very low35.5Very low129 Ų129112.8 Ų112.890%0.90282%0.822SS**  cis-169.2156.9-2.2-168.90000111.6
308G32.5Very low35.3Very low79 Ų79112.9 Ų112.981%0.81482%0.822SS**  trans80.1161.7172.700000115.9
309G31.9Very low35.4Very low85 Ų85116.8 Ų116.888%0.87682%0.824SS**  cis-169.5159.9-3.800000110.9
310A39.9Very low36.4Very low114 Ų114118 Ų11894%0.94282%0.823SS**  trans-92159.2-172.100000114.3
311G33.1Very low36.5Very low79 Ų79116.2 Ų116.281%0.81481%0.814SS**  trans-156.7134.2173.200000112.9
312L41.6Very low36.8Very low189 Ų189117.5 Ų117.599%0.9982%0.817SS**  trans-106.9152.3175.2-65.2164.6000109.4
313G33.5Very low37Very low83 Ų83117.9 Ų117.986%0.85682%0.82SS**  trans-172155.9176.700000112.9
314A35.6Very low37.1Very low88 Ų88113.4 Ų113.473%0.72782%0.815SS**  trans-129.9172-169.700000114.2
315H38.4Very low37.1Very low168 Ų168117.9 Ų117.978%0.77882%0.824SS**  trans-55.7173.9165.846.3-115.7000113.3
316P55.1Low37.2Very low127 Ų127116.8 Ų116.883%0.82582%0.823SS**  cis-141.6-171.915.943.9-25.4000116.6
317G33.6Very low38.6Very low63 Ų63118.9 Ų118.965%0.64982%0.824SS**  trans149.7108.1143.800000121.4
318H34.5Very low38.7Very low205 Ų205119 Ų11995%0.94982%0.815SS**  trans76.6160140.9-76.787.6000124.4
319Q37.9Very low39Very low178 Ų178122.5 Ų122.583%0.83281%0.814SS**  trans-127.5-163.8-166.6-134.7-168.318.700108.6
320P53.8Low39.3Very low125 Ų125121.6 Ų121.681%0.81280%0.798SS**  cis-148.3-172.133.543.3-20.6000118
321G32.8Very low39.4Very low59 Ų59124.5 Ų124.561%0.60879%0.792SS**  trans130.996.9164.200000113.9
322S38.5Very low39.9Very low131 Ų131130.4 Ų130.492%0.91680%0.798SS**  80.413180.2-70.10000114.3
323A37.2Very low39.8Very low101 Ų101126.1 Ų126.184%0.83579%0.79SS**  cis-163.6159.6-100000114.2
324G34.1Very low39.8Very low72 Ų72127.2 Ų127.274%0.74279%0.791SS**  trans80.6152.7151.200000119
325Q36.2Very low39.8Very low195 Ų195129 Ų12991%0.91180%0.798SS**  cis-147.2167.1-6.8-65.1-177.74.400110.7
326S36.4Very low41.2Very low114 Ų114126.8 Ų126.880%0.79780%0.799SS**  trans-127.4-177.1-177.8-54.40000109.7
327P59.8Low40.3Very low113 Ų113125.5 Ų125.573%0.73480%0.799SS**  cis-115.8-133.71.227.7-1.8000111.3
328D36.4Very low40.4Very low131 Ų131126.6 Ų126.670%0.70180%0.802SS**  cis-163.1-172.76.8-140.9177000108.5
329L39.6Very low40.5Very low152 Ų152124.7 Ų124.780%0.79680%0.798SS**  cis-149.3-163.710.4-174.240.9000110.6
330A37.4Very low40.7Very low67 Ų67125.9 Ų125.955%0.55480%0.803SS**  trans-95.5149.3-164.300000118.1
331H42.7Very low39.8Very low174 Ų174123.1 Ų123.181%0.80680%0.797SS**  trans31.2140133.3-58.590.6000123
332H42.9Very low40Very low203 Ų203129.8 Ų129.894%0.9481%0.812SS**  -160.3161121.9-102.7-71.1000111
333A38.4Very low39.8Very low100 Ų100130.2 Ų130.283%0.82681%0.809SS**  trans-143151.3-175.500000113
334A34.7Very low40Very low106 Ų106130.8 Ų130.888%0.87681%0.807SS**  trans-160.2164.916800000111.3
335S35.8Very low40Very low124 Ų124132.8 Ų132.887%0.86781%0.81SS**  trans-130.2173.6-170.6-1160000113.1
336P68.4Low40Very low123 Ų123131.9 Ų131.980%0.79981%0.81SS**  trans-105.7169.6-152.340.5-39.2000117.8
337A35.6Very low40.2Very low100 Ų100130.4 Ų130.483%0.82680%0.8SS**  trans-163.1159.716400000109.8
338A35.6Very low39.1Very low86 Ų86133.1 Ų133.171%0.71180%0.803SS**  cis-167.7160.9-25.900000111
339L36.4Very low39.3Very low165 Ų165134.5 Ų134.586%0.86481%0.809SS**  trans46.3113.5151.1-74.7164.8000122.6
340Q41.2Very low39.1Very low203 Ų203134 Ų13495%0.94981%0.807SS**  174.7144.7124.2-96.2170.79.800109.2
341G34.9Very low38.8Very low66 Ų66136.5 Ų136.568%0.6882%0.821SS**  cis-179.1171.6-7.100000112.2
342Q38.2Very low38.5Very low199 Ų199133.5 Ų133.593%0.9382%0.819SS**  trans72114.7173.7-53.1-156.2-70.800119.5
343V34.7Very low38.1Very low140 Ų140127.6 Ų127.685%0.84881%0.813SS**  trans-116.8147.1153.7-69.80000108.9
344S39.6Very low38.2Very low113 Ų113128.3 Ų128.379%0.7981%0.812SS**  trans-158.798.9167-73.20000106.7
345S35.5Very low38.1Very low115 Ų115130.1 Ų130.180%0.80481%0.807SS**  71.691.570.8-165.70000112.7
346L36.6Very low38.1Very low176 Ų176134.7 Ų134.792%0.92181%0.807SS**  trans-155.1145145.1-140.476.9000109.1
347S38.7Very low36.4Very low83 Ų83132.6 Ų132.658%0.5881%0.808SS**  trans-142.3168.6-178.653.70000111.1
348H37.8Very low36.7Very low170 Ų170131.9 Ų131.979%0.78780%0.801SS**  trans70.1148.1-176.6-38.5-75.3000112.9
349L40.2Very low36.9Very low160 Ų160136.5 Ų136.584%0.83881%0.81SS**  cis-120.8138.912.2-59.4149000108.9
350N35.4Very low36.9Very low141 Ų141132.9 Ų132.975%0.75480%0.799SS**  40.2107.478.9-167.429.2000116.5
351S31.6Very low36.7Very low120 Ų120129.3 Ų129.384%0.83980%0.795SS**  trans-158.1145.1144.6-161.70000110.6
352S36.6Very low36.8Very low111 Ų111131.4 Ų131.478%0.77680%0.8SS**  trans-105.8154.5-173.5-56.50000112.2
353G34Very low36.8Very low78 Ų78127.4 Ų127.480%0.80479%0.789SS**  trans-178.6106.9170.700000114.4
354S39.7Very low37.2Very low116 Ų116128.5 Ų128.581%0.81179%0.789SS**  trans-67.8164.3166-44.70000110.1
355D33.6Very low37.2Very low144 Ų144131.7 Ų131.777%0.7780%0.796SS**  -166.7-163.460.6-152.7-103.7000114.8
356Y35.8Very low37.7Very low220 Ų220134.7 Ų134.786%0.86379%0.791SS**  trans-77.2154.4-169.1-82.5-113.6000114.2
357G33.2Very low37.3Very low79 Ų79129.7 Ų129.781%0.81478%0.783SS**  trans-162.827-179.700000116.1
358A41.3Very low37.8Very low84 Ų84135 Ų13569%0.69479%0.79SS**  trans-78.3121.9176.800000111.3
359M39.3Very low37.8Very low183 Ų183133 Ų13390%0.90179%0.789SS**  trans-160.3144.6154.3-103.1-45115.900115
360S36.9Very low38Very low89 Ų89138.6 Ų138.662%0.62280%0.8SS**  trans56.492.7157.1-159.50000120.6S362S360-S362 PolarHBondContact O-N 3.14Å; S360-S362 PolarHBondContact OG-OG 3.47Å
361C36.8Very low38.2Very low128 Ų128138.5 Ų138.587%0.86580%0.802SS**  trans-69.499.3152.1-680000110.6T363C361-T363 PolarHBondContact O-N 3.29Å
362S36.3Very low38.5Very low111 Ų111139.5 Ų139.578%0.77680%0.8SS**  trans-9096.7173-69.90000111.2S360S360-S362 PolarHBondContact O-N 3.14Å; S360-S362 PolarHBondContact OG-OG 3.47Å
363T38.6Very low38.6Very low115 Ų115141.1 Ų141.171%0.70680%0.802SS**  trans-89.4148178.4-34.30000110.6C361C361-T363 PolarHBondContact O-N 3.29Å
364L44.6Very low38.9Very low163 Ų163144.8 Ų144.885%0.85380%0.801SS**  trans66.5108.8170.1-53.2173.3000117.1
365L39.4Very low38.9Very low179 Ų179146.6 Ų146.694%0.93780%0.801SS**  -147.2159.1116.6-111.6174.7000111.1
366Y44.5Very low39.2Very low178 Ų178146.7 Ų146.770%0.69880%0.803SS**  trans-103.889.8-151.6-171.2-99.9000112.8R368Y366-R368 PolarHBondContact OH-NH1 3.06Å
367G28.3Very low39.4Very low72 Ų72141.5 Ų141.574%0.74280%0.799SS**  trans-104.676.5-177.300000114.9T369G367-T369 PolarHBondContact O-N 3.19Å
368R49Very low39.9Very low193 Ų193146.3 Ų146.373%0.72880%0.797SS**  trans-85.297177.2-94.3177.4154.2165.8-11112.5Y366Y366-R368 PolarHBondContact OH-NH1 3.06Å
369T37.7Very low39.8Very low128 Ų128151.5 Ų151.579%0.78581%0.806SS**  trans-130.774.9174.345.40000114.1G367G367-T369 PolarHBondContact O-N 3.19Å
370W46.3Very low39.9Very low279 Ų279148.6 Ų148.6100%1.05780%0.797SS**  trans48.70151.5-62.9101.6000120.4

Retrieved 370 of 370 residues in 40.8 ms (Link to these results)