A0A075B750_HUMAN Loading...

Nuclear receptor coactivator 4

AlphaFold DB (B4DZ85), UniProt , Accession A0A075B750, Species HUMAN (Homo sapiens, Human), Gene NCOA4, Length 448 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
1M32.3Very low33.5Very low243 Ų243129.8 Ų129.8100%1.19781%0.81SS**  087.40-123.8174.3-86.200105.7
2A34.5Very low32.9Very low80 Ų80134.3 Ų134.366%0.66181%0.81SS**  96.9117.293.100000109.3
3H31.3Very low32.8Very low193 Ų193134.4 Ų134.489%0.89480%0.802SS**  trans170101.5148.3-84.2-56.5000105.2
4A33Very low32.5Very low82 Ų82134.1 Ų134.168%0.67879%0.788SS**  101.396.781.300000109.8
5S31.4Very low32.3Very low119 Ų119135.6 Ų135.683%0.83278%0.781SS**  trans6.4132.7141.640.40000119.2
6S31.1Very low32.2Very low117 Ų117142 Ų14282%0.81879%0.788SS**  -173.1131.5124.5-174.70000113.3
7A32.1Very low31.9Very low81 Ų81138.1 Ų138.167%0.66979%0.788SS**  trans60.8108.7143.600000122.4
8N34.3Very low31.6Very low162 Ų162137.7 Ų137.787%0.86679%0.793SS**  12.7121.8122.9-94.9-47.8000117.4
9I33.6Very low31.5Very low169 Ų169138.7 Ų138.787%0.86779%0.794SS**  trans-147.2136.5142.3-84.6133.4000107.6
10G30Very low31.2Very low64 Ų64137.5 Ų137.566%0.6679%0.794SS**  trans-72.6-164.5-177.800000116
11P45.3Very low31.1Very low118 Ų118139 Ų13977%0.76680%0.796SS**  trans-100.3154.3-145.137.5-33.5000113.2
12F26.5Very low31Very low184 Ų184133 Ų13381%0.80778%0.775SS**  trans-175.4131.5142.3-121.6-126.2000113
13L30.6Very low30.7Very low135 Ų135136 Ų13671%0.70778%0.775SS**  trans64.8146.3152.3-55.2173000117.9
14E28.8Very low30.8Very low131 Ų131136.5 Ų136.561%0.61278%0.778SS**  cis-163.4149.715.4-142.1175.4149.100109.6
15K30.6Very low30.5Very low156 Ų156140.6 Ų140.668%0.67878%0.78SS**  trans26.1133.3144.3-71174.8-165.5146.30118.4
16R29.7Very low30.8Very low238 Ų238140.5 Ų140.590%0.89878%0.78SS**  176.314652-130.2174.8-152.1-174.77.4106.6
17G27.1Very low30.6Very low76 Ų76139.7 Ų139.778%0.78478%0.78SS**  trans160.394.8163.200000113.2
18C26.5Very low30.6Very low130 Ų130141.3 Ų141.388%0.87879%0.787SS**  trans-63.8130171.6-760000111.5
19I29.5Very low30.4Very low158 Ų158136.6 Ų136.681%0.8178%0.776SS**  trans-137.7119140.6-55.4-179.1000107.3M21I19-M21 PolarHBondContact O-N 3.44Å
20S25.6Very low30.6Very low113 Ų113137 Ų13779%0.7978%0.779SS**PPolyproline II helixtrans-66.1118.9175.8-47.20000110.1
21M29.5Very low31.1Very low170 Ų170139.6 Ų139.684%0.83778%0.781SS**PPolyproline II helixtrans-89.6129.4164.2-80.4-68.9171.300108.8I19 E23I19-M21 PolarHBondContact O-N 3.44Å; M21-E23 PolarHBondContact O-N 3.36Å
22P30.9Very low31.1Very low116 Ų116138.2 Ų138.275%0.75378%0.779SS**PPolyproline II helixtrans-70.6124.1-179.425.6-29.6000111.5Q24P22-Q24 PolarHBondContact O-N 3.45Å
23E27.5Very low32.1Very low145 Ų145133.8 Ų133.868%0.67877%0.768SS**  trans-16.3106152.5-157.8-176.6148.300113.7M21 K25M21-E23 PolarHBondContact O-N 3.36Å; E23-K25 PolarHBondContact O-N 3.35Å; E23-K25 VanDerWaalsContact O-N 3.15Å; E23-K25 WeakPolarHBondContact OE1-CE 3.37Å; E23-K25 IonicContact OE1-NZ 2.74Å; E23-K25 PolarHBondContact OE1-NZ 2.74Å
24Q33.4Very low33.1Very low202 Ų202131.1 Ų131.194%0.94476%0.758SS**  trans-74.5100.9163.1-85.3-163.8-34.300108.6P22P22-Q24 PolarHBondContact O-N 3.45Å
25K27.5Very low33.8Very low168 Ų168131.7 Ų131.773%0.7376%0.759SS**  trans-82.6141.2164.9-100.2172.9176.5144.40111.3E23E23-K25 PolarHBondContact O-N 3.35Å; E23-K25 VanDerWaalsContact O-N 3.15Å; E23-K25 WeakPolarHBondContact OE1-CE 3.37Å; E23-K25 IonicContact OE1-NZ 2.74Å; E23-K25 PolarHBondContact OE1-NZ 2.74Å
26S37.1Very low34.5Very low118 Ų118128 Ų12883%0.82575%0.753SS**  trans-50.3147.4-177.5-36.50000116.5
27A26.3Very low35.5Very low99 Ų99122.3 Ų122.382%0.81874%0.736SS**  trans-151.7100.5145.800000107.6
28S32.6Very low36.9Very low116 Ų116127.4 Ų127.481%0.81173%0.732SS**  78.911895.9-160.30000112.2
29G30.9Very low37.9Very low63 Ų63126.3 Ų126.365%0.64972%0.717SS**  trans-57.6155.7-174.800000113.9V31G29-V31 PolarHBondContact O-N 3.13Å
30I36.1Very low38.9Very low178 Ų178126 Ų12691%0.91372%0.716SS**  trans-56.6102.3172.2-67.1167.6000107.8A32I30-A32 PolarHBondContact O-N 3.32Å
31V42Very low39.6Very low117 Ų117123.1 Ų123.171%0.70970%0.704SS**  trans-74.6118.7167.41750000106.3G29 V33G29-V31 PolarHBondContact O-N 3.13Å; V31-V33 PolarHBondContact O-N 3.09Å; V31-V33 VanDerWaalsContact O-N 3.15Å
32A45.1Very low40.3Very low89 Ų89120 Ų12074%0.73670%0.699SS**  trans-61.6114.9172.400000108.9I30I30-A32 PolarHBondContact O-N 3.32Å
33V48.1Very low41.1Very low92 Ų92124.1 Ų124.156%0.55871%0.705SS**  trans-76127177.3172.80000108.7V31 E37V31-V33 PolarHBondContact O-N 3.09Å; V31-V33 VanDerWaalsContact O-N 3.15Å; V33-E37 HydrophobicContact CG1-CB 3.53Å; V33-E37 HydrophobicContact CG1-CG 4.41Å; V33-E37 WeakPolarHBondContact CG1-OE2 3.5Å
34P50.8Low41.6Very low79 Ų79123.2 Ų123.251%0.51371%0.712SS.*  trans-60.4140.4176.2-21.132.2000111.5S36 E37P34-S36 PolarHBondContact O-N 2.82Å; P34-E37 PolarHBondContact O-N 3.38Å
35F42.4Very low41.7Very low142 Ų142118.2 Ų118.262%0.62371%0.705SS**Hα-helixtrans-50.6-26.6-176.9-176.2-111.9000114.6E37 W38 L39F35-E37 VanDerWaalsContact C-N 3.3Å; F35-E37 PolarHBondContact O-N 3.4Å; F35-W38 HydrophobicContact CE2-CE3 4.06Å; F35-W38 HydrophobicContact CE2-CZ3 4.37Å; F35-W38 PolarHBondContact O-N 3.3Å; F35-L39 HydrophobicContact CD1-CD1 3.76Å; F35-L39 HydrophobicContact CD1-CG 4.23Å; F35-L39 HydrophobicContact CE1-CD1 3.4Å; F35-L39 HydrophobicContact CE1-CD2 4.28Å; F35-L39 HydrophobicContact CE1-CG 3.88Å; F35-L39 HydrophobicContact CZ-CD1 4.01Å; F35-L39 HydrophobicContact CZ-CD2 4.03Å; F35-L39 HydrophobicContact CZ-CG 4.02Å; F35-L39 PolarHBondContact O-N 3.41Å
36S46Very low42Very low78 Ų78116.1 Ų116.155%0.54571%0.712SS.*Hα-helixtrans-62.5-30.8174.752.10000114.2P34 L40P34-S36 PolarHBondContact O-N 2.82Å; S36-L40 WeakPolarHBondContact O-CG 3.26Å
37E51.5Low41.9Very low120 Ų120113.7 Ų113.756%0.56171%0.705SS**Hα-helixtrans-82.4-25.4179.8-133177174.700111.9V33 P34 F35V33-E37 HydrophobicContact CG1-CB 3.53Å; V33-E37 HydrophobicContact CG1-CG 4.41Å; V33-E37 WeakPolarHBondContact CG1-OE2 3.5Å; P34-E37 PolarHBondContact O-N 3.38Å; F35-E37 VanDerWaalsContact C-N 3.3Å; F35-E37 PolarHBondContact O-N 3.4Å
38W54.9Low42.2Very low183 Ų183120.1 Ų120.169%0.69371%0.71SS**Hα-helixtrans-73.7-41.2173.5-17384.6000111.9F35 L40 G41F35-W38 HydrophobicContact CE2-CE3 4.06Å; F35-W38 HydrophobicContact CE2-CZ3 4.37Å; F35-W38 PolarHBondContact O-N 3.3Å; W38-L40 VanDerWaalsContact C-N 3.27Å; W38-L40 PolarHBondContact O-N 3.46Å; W38-G41 PolarHBondContact O-N 3.02Å
39L47.6Very low42.5Very low107 Ų107123.6 Ų123.656%0.5671%0.713SS**Hα-helixtrans-66.5-26.6178.5-75.4177.2000113.9F35 G41F35-L39 HydrophobicContact CD1-CD1 3.76Å; F35-L39 HydrophobicContact CD1-CG 4.23Å; F35-L39 HydrophobicContact CE1-CD1 3.4Å; F35-L39 HydrophobicContact CE1-CD2 4.28Å; F35-L39 HydrophobicContact CE1-CG 3.88Å; F35-L39 HydrophobicContact CZ-CD1 4.01Å; F35-L39 HydrophobicContact CZ-CD2 4.03Å; F35-L39 HydrophobicContact CZ-CG 4.02Å; F35-L39 PolarHBondContact O-N 3.41Å; L39-G41 VanDerWaalsContact C-N 3.34Å
40L51.3Low42.7Very low151 Ų151124.9 Ų124.979%0.79172%0.718SS**THydrogen-bonded Turntrans-89.62.6-177-69.5173.3000113.9S36 W38S36-L40 WeakPolarHBondContact O-CG 3.26Å; W38-L40 VanDerWaalsContact C-N 3.27Å; W38-L40 PolarHBondContact O-N 3.46Å
41G40.8Very low42.9Very low52 Ų52122.1 Ų122.154%0.53671%0.711SS.*  trans65.494.3175.500000112.5W38 L39 K43W38-G41 PolarHBondContact O-N 3.02Å; L39-G41 VanDerWaalsContact C-N 3.34Å; G41-K43 PolarHBondContact O-N 2.82Å
42S44.3Very low43.3Very low104 Ų104125.9 Ų125.973%0.72771%0.714SS**PPolyproline II helixtrans-65.8124174.425.80000111.1
43K47.8Very low43.8Very low203 Ų203128.8 Ų128.888%0.88372%0.716SS**PPolyproline II helixtrans-69.1128.3174.3-66.2-173.9177.3-1770110.3G41G41-K43 PolarHBondContact O-N 2.82Å
44P36.5Very low43.8Very low126 Ų126128.7 Ų128.782%0.81872%0.717SS**PPolyproline II helixtrans-78.2135.9161.729-28.4000110.3
45A35.7Very low44Very low97 Ų97127 Ų12780%0.80271%0.707SS**PPolyproline II helixtrans-77.1122.8170.900000110.5
46S34.1Very low44.6Very low125 Ų125127.2 Ų127.287%0.87472%0.72SS**  trans45.9119.4161.272.90000120.4
47G35.3Very low44.8Very low67 Ų67127.5 Ų127.569%0.69172%0.716SS**  trans151.483.5146.900000116.8
48Y33.5Very low44.9Very low234 Ų234126 Ų12692%0.91872%0.717SS**SBendtrans76.5136.3159.5-62.8-81.3000121.5
49Q38.2Very low44.8Very low189 Ų189122.8 Ų122.888%0.88371%0.709SS**  trans79.4122.3174.4-66.2-83.2-13.300116.4
50A35.5Very low45.3Very low89 Ų89121.7 Ų121.774%0.73670%0.704SS**PPolyproline II helixtrans-64.4141-169.200000112.5Y52A50-Y52 PolarHBondContact O-N 3.49Å
51P40.4Very low45.4Very low120 Ų120124.3 Ų124.378%0.77970%0.703SS**PPolyproline II helixtrans-66.9125.3172.2-12.526.8000109.7I53P51-I53 PolarHBondContact O-N 3.46Å
52Y50.1Low45.6Very low197 Ų197128.3 Ų128.377%0.77371%0.712SS**PPolyproline II helixtrans-55.4119.7166.4176.2-100.2000108.9A50 P54A50-Y52 PolarHBondContact O-N 3.49Å; Y52-P54 WeakPolarHBondContact O-CD 3.43Å
53I55.1Low45.8Very low149 Ų149127.8 Ų127.876%0.76470%0.704SS**PPolyproline II helixtrans-79116.6174.2-60171.7000106.4P51 S55P51-I53 PolarHBondContact O-N 3.46Å; I53-S55 PolarHBondContact O-N 3.3Å
54P48.3Very low45.6Very low90 Ų90127.1 Ų127.158%0.58470%0.704SS**PPolyproline II helixtrans-63.7135.4175.2-16.530.3000109.8Y52Y52-P54 WeakPolarHBondContact O-CD 3.43Å
55S54.2Low45.8Very low45 Ų45130.3 Ų130.332%0.31571%0.705SS.*PPolyproline II helixtrans-59.1140.4176.7-1750000110.9I53 D57 D60I53-S55 PolarHBondContact O-N 3.3Å; S55-D57 VanDerWaalsContact C-N 3.32Å; S55-D57 PolarHBondContact OG-N 3.46Å; S55-D60 WeakPolarHBondContact CB-OD2 3.3Å; S55-D60 PolarHBondContact OG-OD2 3.23Å
56T56.2Low46.1Very low146 Ų146134.9 Ų134.990%0.89671%0.71SS**SBendtrans-89.5-0.2176.836.70000112.4
57D50.4Low46Very low83 Ų83135.5 Ų135.544%0.44471%0.709SS.*  trans-91119.4177-165.5-19.3000111.1S55 Q59 D60S55-D57 VanDerWaalsContact C-N 3.32Å; S55-D57 PolarHBondContact OG-N 3.46Å; D57-Q59 PolarHBondContact O-N 3.39Å; D57-Q59 PolarHBondContact OD1-N 3.44Å; D57-Q59 VanDerWaalsContact OD1-N 3.07Å; D57-D60 PolarHBondContact O-N 3.23Å
58P53Low45.7Very low90 Ų90140.3 Ų140.358%0.58472%0.718SS**G310 helixtrans-59.3-22.7177.2-22.332.5000114.4D60 W61P58-D60 VanDerWaalsContact C-N 3.33Å; P58-W61 PolarHBondContact O-N 3.46Å
59Q53Low45.6Very low115 Ų115138 Ų13854%0.53772%0.715SS.*G310 helixtrans-73.1-27.4-176.3-129.166.39.300112.8D57 W61 L62 T63D57-Q59 PolarHBondContact O-N 3.39Å; D57-Q59 PolarHBondContact OD1-N 3.44Å; D57-Q59 VanDerWaalsContact OD1-N 3.07Å; Q59-W61 PolarHBondContact O-N 3.4Å; Q59-L62 PolarHBondContact O-N 3.16Å; Q59-T63 PolarHBondContact O-N 3.35Å; Q59-T63 PolarHBondContact O-OG1 3.46Å
60D58.2Low45.3Very low83 Ų83136.4 Ų136.444%0.44471%0.713SS.*G310 helixtrans-65-23.6178.4-74.1-24.1000112.6S55 D57 P58 L62S55-D60 WeakPolarHBondContact CB-OD2 3.3Å; S55-D60 PolarHBondContact OG-OD2 3.23Å; D57-D60 PolarHBondContact O-N 3.23Å; P58-D60 VanDerWaalsContact C-N 3.33Å; D60-L62 VanDerWaalsContact C-N 3.33Å
61W53.4Low45Very low207 Ų207137.4 Ų137.478%0.78472%0.715SS**G310 helixtrans-78.2-22.2176.8-65.821.6000112P58 Q59P58-W61 PolarHBondContact O-N 3.46Å; Q59-W61 PolarHBondContact O-N 3.4Å
62L45.6Very low45Very low135 Ų135140.7 Ų140.771%0.70772%0.72SS**THydrogen-bonded Turntrans-92.9-22.1-178.4-69.5168.2000112.4Q59 D60Q59-L62 PolarHBondContact O-N 3.16Å; D60-L62 VanDerWaalsContact C-N 3.33Å
63T47Very low44Very low94 Ų94138.2 Ų138.258%0.57773%0.725SS**  trans-108.441.8179.550.60000113.2Q59 K65Q59-T63 PolarHBondContact O-N 3.35Å; Q59-T63 PolarHBondContact O-OG1 3.46Å; T63-K65 PolarHBondContact O-N 3.07Å
64Q44.5Very low42.9Very low188 Ų188137 Ų13788%0.87973%0.73SS**  trans-77.469.2165.2-158.8174.121.800110
65K39.8Very low42Very low194 Ų194138.2 Ų138.284%0.84374%0.741SS**  trans-107.1123.4168.7-76.9-163.5175.1-174.90110.3T63 T67T63-K65 PolarHBondContact O-N 3.07Å; K65-T67 PolarHBondContact O-N 3.39Å
66Q43.2Very low41Very low193 Ų193147.7 Ų147.790%0.90277%0.769SS**  trans-13.2113167.3-70.2172.6-1400116
67T30.9Very low39.8Very low138 Ų138144.6 Ų144.685%0.84776%0.758SS**  trans-158.1107.5141.3-38.60000109.5K65K65-T67 PolarHBondContact O-N 3.39Å
68L29.7Very low38.7Very low168 Ų168145.8 Ų145.888%0.8877%0.772SS**  -174.4116.2123.7-162.972.5000108.7
69E32Very low37.5Very low184 Ų184148.8 Ų148.886%0.8678%0.783SS**  trans-66.1152.1169.7-70.4-178.4134.200111.8
70N29.9Very low36.7Very low156 Ų156151.6 Ų151.683%0.83479%0.794SS**  trans84.691.2150.1-146.210.1000118.2
71S30.5Very low35.7Very low111 Ų111156.5 Ų156.578%0.77681%0.812SS**  -174.8131106.641.20000111.4T73S71-T73 PolarHBondContact O-N 2.93Å
72Q40.1Very low35.2Very low189 Ų189154.2 Ų154.288%0.88382%0.815SS**  trans-23.7118.7164.4-107.6156.6-21.100115.1
73T29.9Very low34.9Very low145 Ų145155.7 Ų155.789%0.8982%0.823SS**  179.9147.6127.530.70000110.7S71S71-T73 PolarHBondContact O-N 2.93Å
74S32.1Very low34.7Very low123 Ų123158.4 Ų158.486%0.8684%0.839SS**  trans-41.3123-169.1-172.30000116.7R76S74-R76 PolarHBondContact O-N 2.92Å
75S27.8Very low34.4Very low116 Ų116153.1 Ų153.181%0.81184%0.835SS**  trans-85.5101.4174520000111.6
76R33.6Very low34.5Very low244 Ų244147.3 Ų147.392%0.92183%0.831SS**  trans-92.990.2153.5-162.2177.3-155165.75.6107.5S74 C78S74-R76 PolarHBondContact O-N 2.92Å; R76-C78 PolarHBondContact O-N 3.35Å
77A30.6Very low34.7Very low80 Ų80143.9 Ų143.966%0.66182%0.819SS**  trans-69117.9175.800000110
78C28.4Very low35.8Very low108 Ų108143.9 Ų143.973%0.7381%0.813SS**  trans-91.4106.9164.2-161.30000106.8R76R76-C78 PolarHBondContact O-N 3.35Å
79N27.6Very low37.1Very low154 Ų154142.8 Ų142.882%0.82480%0.801SS**  trans-110.280171.6-74.6-21.1000108.5
80F36.4Very low38.5Very low173 Ų173135.7 Ų135.776%0.75978%0.777SS**  trans-107.1133.9160.1-84.6-88.8000107.5
81F36.4Very low39.5Very low187 Ų187133.6 Ų133.682%0.8277%0.765SS**  trans84.179.4179.8-51-74.7000117
82N42.4Very low40.8Very low159 Ų159133.6 Ų133.685%0.8575%0.753SS**  trans-151.874.5147.6-93.6-23.8000107.9
83N39.8Very low41.5Very low166 Ų166129.9 Ų129.989%0.88874%0.739SS**  trans-161.641.1170.5-90.4-29.5000112
84V42.8Very low42.7Very low150 Ų150132 Ų13291%0.90973%0.731SS**  trans-133.455.2167.3-162.70000109.3
85G38.6Very low43.4Very low77 Ų77131.1 Ų131.179%0.79472%0.716SS**  trans-114.899.2166.400000108
86G42.6Very low44.5Very low73 Ų73130.6 Ų130.675%0.75370%0.704SS**  trans-59.1141.5-17500000113.4L88G86-L88 PolarHBondContact O-N 3.07Å
87N47.4Very low45.2Very low120 Ų120127 Ų12764%0.64270%0.695SS**  trans-68.494.9176.9-177.93.4000110.6K89 G90N87-K89 PolarHBondContact O-N 3.17Å; N87-K89 VanDerWaalsContact O-N 3.11Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.32Å; N87-K89 PolarHBondContact OD1-N 3.16Å; N87-K89 VanDerWaalsContact OD1-N 3.08Å; N87-G90 PolarHBondContact O-N 3.15Å; N87-G90 PolarHBondContact OD1-N 3.38Å
88L53.3Low45.8Very low138 Ų138126.4 Ų126.472%0.72369%0.686SS**Hα-helixtrans-49.5-32.3172.4-106.1151.8000112.6G86 G90 L91 E92G86-L88 PolarHBondContact O-N 3.07Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 3.49Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 2.99Å; L88-E92 PolarHBondContact O-N 3.09Å
89K57.2Low46.4Very low145 Ų145129.2 Ų129.263%0.6369%0.688SS**Hα-helixtrans-70-26.2179.1-140.1163-175.41740113.5N87 L91 N93N87-K89 PolarHBondContact O-N 3.17Å; N87-K89 VanDerWaalsContact O-N 3.11Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.32Å; N87-K89 PolarHBondContact OD1-N 3.16Å; N87-K89 VanDerWaalsContact OD1-N 3.08Å; K89-L91 VanDerWaalsContact C-N 3.32Å; K89-N93 PolarHBondContact O-N 2.62Å
90G60.8Low47.1Very low35 Ų35130.5 Ų130.536%0.36169%0.686SS.*Hα-helixtrans-70.5-31.1173.300000112.5N87 L88 W94N87-G90 PolarHBondContact O-N 3.15Å; N87-G90 PolarHBondContact OD1-N 3.38Å; L88-G90 VanDerWaalsContact C-N 3.32Å; L88-G90 PolarHBondContact O-N 3.49Å; G90-W94 PolarHBondContact O-N 3.36Å; G90-W94 VanDerWaalsContact O-N 3.17Å
91L52Low47.1Very low113 Ų113127.1 Ų127.159%0.59268%0.684SS**Hα-helixtrans-78.1-37.3-179.7-136.1151.5000111.2L88 K89 W94 L95L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 2.99Å; K89-L91 VanDerWaalsContact C-N 3.32Å; L91-W94 PolarHBondContact O-N 2.96Å; L91-L95 HydrophobicContact CD2-CD1 4.21Å; L91-L95 PolarHBondContact O-N 2.93Å
92E56.5Low47.5Very low111 Ų111122 Ų12252%0.51967%0.672SS.*Hα-helixtrans-61.4-44.2170.6-69.7174.7166.700111.8L88 W94 L95 L96L88-E92 PolarHBondContact O-N 3.09Å; E92-W94 VanDerWaalsContact C-N 3.29Å; E92-W94 PolarHBondContact O-N 3.25Å; E92-L95 PolarHBondContact O-N 2.98Å; E92-L96 WeakPolarHBondContact O-CD1 3.07Å; E92-L96 PolarHBondContact O-N 3.13Å
93N54.8Low47.3Very low110 Ų110125.2 Ų125.259%0.58867%0.673SS**Hα-helixtrans-66.2-29.3176.4-76.4-12.9000113.3K89 K97K89-N93 PolarHBondContact O-N 2.62Å; N93-K97 WeakPolarHBondContact O-CB 3.23Å; N93-K97 PolarHBondContact O-N 2.72Å
94W55.4Low47Very low190 Ų190126.2 Ų126.272%0.7267%0.673SS**Hα-helixtrans-73.3-40.4175.4-164.384.8000111.8G90 L91 E92 K97 S98G90-W94 PolarHBondContact O-N 3.36Å; G90-W94 VanDerWaalsContact O-N 3.17Å; L91-W94 PolarHBondContact O-N 2.96Å; E92-W94 VanDerWaalsContact C-N 3.29Å; E92-W94 PolarHBondContact O-N 3.25Å; W94-K97 PolarHBondContact O-N 3.19Å; W94-S98 PolarHBondContact O-N 3.26Å
95L46.8Very low46.4Very low105 Ų105128 Ų12855%0.5567%0.669SS.*Hα-helixtrans-64-46.3175.4-106.7144.1000112.1L91 E92 K97 S98L91-L95 HydrophobicContact CD2-CD1 4.21Å; L91-L95 PolarHBondContact O-N 2.93Å; E92-L95 PolarHBondContact O-N 2.98Å; L95-K97 PolarHBondContact O-N 3.21Å; L95-S98 PolarHBondContact O-N 3.01Å; L95-S98 VanDerWaalsContact O-N 3.13Å; L95-S98 PolarHBondContact O-OG 2.94Å
96L51.3Low45.9Very low105 Ų105129.5 Ų129.555%0.5567%0.666SS.*Hα-helixtrans-62.5-27.3175.6-94.1130.2000113.5E92E92-L96 WeakPolarHBondContact O-CD1 3.07Å; E92-L96 PolarHBondContact O-N 3.13Å
97K48.3Very low45.1Very low168 Ų168131.3 Ų131.373%0.7366%0.658SS**Hα-helixtrans-79-26.2177.3-160.3163.1-174.1176.10112.6N93 W94 L95N93-K97 WeakPolarHBondContact O-CB 3.23Å; N93-K97 PolarHBondContact O-N 2.72Å; W94-K97 PolarHBondContact O-N 3.19Å; L95-K97 PolarHBondContact O-N 3.21Å
98S43.6Very low44.3Very low67 Ų67131 Ų13147%0.46967%0.665SS.*Hα-helixtrans-74.1-26.2178.471.30000113.6W94 L95W94-S98 PolarHBondContact O-N 3.26Å; L95-S98 PolarHBondContact O-N 3.01Å; L95-S98 VanDerWaalsContact O-N 3.13Å; L95-S98 PolarHBondContact O-OG 2.94Å
99E40.3Very low43.2Very low167 Ų167131.7 Ų131.778%0.7866%0.664SS**THydrogen-bonded Turntrans-80.5-17.8-177-156.9172.6-170.400113.7
100K42.8Very low41.8Very low182 Ų182130 Ų13079%0.79167%0.671SS**THydrogen-bonded Turntrans-99.711.8-177-69-174.7178.7178.60115.4
101S36.2Very low40.3Very low102 Ų102135.1 Ų135.171%0.71370%0.695SS**  trans-114.550.5179.867.40000113.7
102S43.7Very low39.3Very low80 Ų80136.6 Ų136.656%0.55971%0.709SS**  trans-121.8139.5158.8-178.90000107.7
103Y39.6Very low37.9Very low225 Ų225136.7 Ų136.788%0.88272%0.722SS**  trans8653-175.4-42.3-66.5000117
104Q33.9Very low37Very low187 Ų187136.3 Ų136.387%0.87473%0.728SS**  trans-100.889.1151.6-161.5167.81.300109.1C106Q104-C106 PolarHBondContact O-N 2.65Å
105K29.9Very low35.9Very low189 Ų189137.4 Ų137.482%0.82274%0.738SS**  trans-67.3108.4169.9-174170.7179.9177.60107.7N107K105-N107 PolarHBondContact O-N 3.09Å
106C26.8Very low35.3Very low108 Ų108137.8 Ų137.873%0.7375%0.75SS**  trans-63.4113.5173.9-69.40000109.6Q104Q104-C106 PolarHBondContact O-N 2.65Å
107N27.1Very low34.4Very low111 Ų111140.9 Ų140.959%0.59477%0.765SS**  trans-100.790162.4-96.925000108.5K105 H109K105-N107 PolarHBondContact O-N 3.09Å; N107-H109 PolarHBondContact ND2-CE1 3.09Å; N107-H109 PolarHBondContact ND2-NE2 3.36Å
108S30.8Very low33.7Very low112 Ų112142 Ų14278%0.78377%0.773SS**  trans-86.2105.1162.8-54.60000107.6
109H28.7Very low33.2Very low153 Ų153147.4 Ų147.471%0.70879%0.793SS**  trans-98.699.7169.3-58.2-67.2000109N107N107-H109 PolarHBondContact ND2-CE1 3.09Å; N107-H109 PolarHBondContact ND2-NE2 3.36Å
110S28.6Very low32.8Very low111 Ų111147.9 Ų147.978%0.77680%0.795SS**  trans-153.3104.4152.3-82.70000107.1
111T28.7Very low32.7Very low141 Ų141148.6 Ų148.687%0.86580%0.798SS**  trans177.9116.2132.625.80000110.4
112T31.7Very low32.6Very low145 Ų145151 Ų15189%0.8981%0.808SS**  trans-64.9113.6148.915.90000108.9
113S26.6Very low32Very low113 Ų113150.6 Ų150.679%0.7982%0.816SS**  trans-178.5127.9133.168.30000110.7
114S36.5Very low31.8Very low101 Ų101147.1 Ų147.171%0.70681%0.813SS**  trans-49.7146.5175.6-45.10000114.3
115F32.4Very low32Very low213 Ų213147 Ų14793%0.93481%0.813SS**  -171.6135.5113.8-88.6-66.3000110.7
116S33.2Very low32.3Very low114 Ų114146.9 Ų146.980%0.79782%0.815SS**  trans-66.3144.3179.5-47.40000113
117I32.6Very low32.7Very low169 Ų169149.4 Ų149.487%0.86782%0.82SS**  trans-140.7125.9142.2-93.2146.8000107.7
118E33.4Very low33.3Very low191 Ų191149.7 Ų149.789%0.89383%0.829SS**  trans-64.1126.3-179.9-167.5172.6-164.700110.2
119M32.6Very low33.8Very low181 Ų181152.1 Ų152.189%0.89283%0.833SS**  trans-120.8130.7162.689.1170.3-74.200111.1
120E32.8Very low34.2Very low178 Ų178153.5 Ų153.583%0.83284%0.84SS**  trans-56.8139.1-176.1-165.4175.5170.600112.9
121K41.6Very low35Very low196 Ų196155.4 Ų155.485%0.85284%0.841SS**  trans-46.2143165.1-96.8177.1167.5-175.60110.8
122V33.5Very low36Very low153 Ų153157.7 Ų157.793%0.92784%0.842SS**  170.2133.9127.3152.30000109
123G32Very low36.9Very low71 Ų71157.9 Ų157.973%0.73283%0.834SS**  trans122.978.415700000115.2
124D35.2Very low38.3Very low153 Ų153157.3 Ų157.382%0.81882%0.822SS**  trans-52.8127.7162.4-173.922.1000111.8
125Q37.3Very low38.7Very low185 Ų185159.5 Ų159.586%0.86483%0.825SS**  trans-152.3111.8161.3-145.1159.787.500109.3L127Q125-L127 PolarHBondContact O-N 2.95Å
126E35.5Very low39.9Very low185 Ų185152.7 Ų152.786%0.86480%0.804SS**PPolyproline II helixtrans-47.5125.4177.7-75.5168.1130.700112.6
127L35.4Very low41.2Very low161 Ų161153 Ų15384%0.84380%0.797SS**PPolyproline II helixtrans-83.7131.8159.2-76.8161.3000107.8Q125Q125-L127 PolarHBondContact O-N 2.95Å
128P40Very low42.4Very low118 Ų118155.8 Ų155.877%0.76680%0.797SS**PPolyproline II helixtrans-68.5139.6167.428.9-30.4000109.4Q130P128-Q130 PolarHBondContact O-N 3.09Å; P128-Q130 VanDerWaalsContact O-N 3.15Å
129D40.8Very low43Very low163 Ų163152.5 Ų152.587%0.87279%0.785SS**  trans-44116.4176.8-84.6-37.8000111.2D131D129-D131 PolarHBondContact O-N 2.93Å
130Q37.8Very low43.7Very low182 Ų182150.5 Ų150.585%0.8578%0.782SS**  trans-83.6102.5168.4-175.6171.4-6.600106.4P128 E132P128-Q130 PolarHBondContact O-N 3.09Å; P128-Q130 VanDerWaalsContact O-N 3.15Å; Q130-E132 PolarHBondContact O-N 2.88Å
131D45.3Very low44.3Very low150 Ų150147.5 Ų147.580%0.80278%0.776SS**  trans-48.9107.6170.6-76.5-40.8000109.2D129 M133D129-D131 PolarHBondContact O-N 2.93Å; D131-M133 PolarHBondContact O-N 2.88Å
132E50.3Low44.1Very low190 Ų190144.1 Ų144.189%0.88877%0.774SS**  trans-65.698167.3-78.5-174.3154.900107.4Q130 D134Q130-E132 PolarHBondContact O-N 2.88Å; E132-D134 PolarHBondContact O-N 2.92Å
133M50.5Low44.3Very low148 Ų148145.6 Ų145.673%0.72977%0.771SS**  trans-66104.5169.6-156.785.673.300108D131D131-M133 PolarHBondContact O-N 2.88Å
134D56.1Low44.6Very low101 Ų101150.2 Ų150.254%0.5477%0.774SS.*  trans-62.6141.1179.9-175.221.1000110.7E132 S136 D137E132-D134 PolarHBondContact O-N 2.92Å; D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 3.17Å; D134-S136 VanDerWaalsContact OD2-CB 3.29Å; D134-S136 WeakPolarHBondContact OD2-CB 3.4Å; D134-S136 PolarHBondContact OD2-OG 3.39Å; D134-D137 PolarHBondContact O-N 3.32Å
135L44.3Very low44.6Very low147 Ų147148.4 Ų148.477%0.7777%0.773SS**G310 helixtrans-60.8-13-178.2-69.2168.2000112.8D137 W138L135-D137 VanDerWaalsContact C-N 3.34Å; L135-W138 PolarHBondContact O-N 3.35Å
136S57.6Low44.5Very low70 Ų70147.3 Ų147.349%0.4977%0.767SS.*G310 helixtrans-64.5-30.4173.1-520000113.7D134 W138 L139D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 3.17Å; D134-S136 VanDerWaalsContact OD2-CB 3.29Å; D134-S136 WeakPolarHBondContact OD2-CB 3.4Å; D134-S136 PolarHBondContact OD2-OG 3.39Å; S136-W138 VanDerWaalsContact C-N 3.29Å; S136-W138 PolarHBondContact O-N 3.4Å; S136-L139 PolarHBondContact O-N 3.3Å
137D60.9Low44.5Very low120 Ų120148.2 Ų148.264%0.64277%0.769SS**G310 helixtrans-74.9-19.5180-85.8-8000113D134 L135D134-D137 PolarHBondContact O-N 3.32Å; L135-D137 VanDerWaalsContact C-N 3.34Å
138W57Low44.8Very low229 Ų229148.6 Ų148.687%0.86777%0.77SS**G310 helixtrans-84.8-18.6174.5-99.955000113.4L135 S136 V140L135-W138 PolarHBondContact O-N 3.35Å; S136-W138 VanDerWaalsContact C-N 3.29Å; S136-W138 PolarHBondContact O-N 3.4Å; W138-V140 PolarHBondContact O-N 3.32Å
139L46.8Very low44.3Very low122 Ų122154.3 Ų154.364%0.63978%0.777SS**  trans-94.795.9178.8-65.3175.9000108.8S136 T141S136-L139 PolarHBondContact O-N 3.3Å; L139-T141 PolarHBondContact O-N 3.38Å
140V47.8Very low44.3Very low139 Ų139155.3 Ų155.384%0.84277%0.773SS**  trans-6784.6167.5-175.70000108.6W138W138-V140 PolarHBondContact O-N 3.32Å
141T45.5Very low44.4Very low115 Ų115152 Ų15271%0.70677%0.768SS**  trans-68130161.528.80000108.6L139 Q143L139-T141 PolarHBondContact O-N 3.38Å; T141-Q143 PolarHBondContact O-N 3.17Å
142P36.7Very low43.7Very low125 Ų125153.4 Ų153.481%0.81277%0.769SS**  trans-57.7114.2172.3-21.431.9000109.5E144P142-E144 PolarHBondContact O-N 3.28Å
143Q36.7Very low43.4Very low184 Ų184152.5 Ų152.586%0.8677%0.771SS**  trans-64.3118.9178.2-163.5-175.44.300109.4T141 S145T141-Q143 PolarHBondContact O-N 3.17Å; Q143-S145 PolarHBondContact O-N 3.28Å
144E38.9Very low42.9Very low168 Ų168148.7 Ų148.779%0.78577%0.77SS**  trans-70.692.6178.1-155.8160.4-15300109.2P142 H146P142-E144 PolarHBondContact O-N 3.28Å; E144-H146 PolarHBondContact O-N 3.31Å; E144-H146 VanDerWaalsContact O-N 3.08Å
145S35.5Very low42.4Very low114 Ų114146.9 Ų146.980%0.79777%0.765SS**  trans-78.792.7176540000110.3Q143 K147Q143-S145 PolarHBondContact O-N 3.28Å; S145-K147 PolarHBondContact O-N 3.02Å; S145-K147 VanDerWaalsContact O-N 3.08Å
146H35.9Very low42.4Very low162 Ų162149.8 Ų149.875%0.7577%0.766SS**  trans-64.5102.5155.7-72.4-68.4000109.3E144E144-H146 PolarHBondContact O-N 3.31Å; E144-H146 VanDerWaalsContact O-N 3.08Å
147K35.7Very low41.9Very low205 Ų205152.4 Ų152.489%0.89177%0.77SS**  trans-165.2112.1134.9-103.3165.6-165.9-1730112S145S145-K147 PolarHBondContact O-N 3.02Å; S145-K147 VanDerWaalsContact O-N 3.08Å
148L39.9Very low41.1Very low168 Ų168150.5 Ų150.588%0.8876%0.763SS**  trans-32.3118.6166.6-168.982.3000115.4
149R30.3Very low40.7Very low239 Ų239143.2 Ų143.290%0.90275%0.747SS**  trans-155.2109.1136.1-159.6172-176.9-1770.4110.5
150K40.7Very low40.7Very low183 Ų183143.3 Ų143.380%0.79674%0.744SS**  trans-62.9144.8165.1-76.3178.3176.1178.40109.3
151P39.1Very low40.8Very low114 Ų114143.8 Ų143.874%0.7473%0.734SS**  -131.9176.776.514.89.7000109.7
152E31.7Very low40.8Very low178 Ų178145.3 Ų145.383%0.83273%0.732SS**  cis-170155.1-7.2167.5166-174.200103.9G154E152-G154 PolarHBondContact O-N 3.06Å
153N44.7Very low41.3Very low172 Ų172147.6 Ų147.692%0.9273%0.729SS**  trans-33.9117.1-176.3-150.721000115
154G38.9Very low41.8Very low68 Ų68145.4 Ų145.470%0.70172%0.722SS**  trans178.4105.7174.200000114.4E152E152-G154 PolarHBondContact O-N 3.06Å
155S45.4Very low42.1Very low63 Ų63143.1 Ų143.144%0.44172%0.715SS.*  trans81.382.5170.8-153.70000117.2E157S155-E157 WeakPolarHBondContact CA-OE2 3.4Å; S155-E157 PolarHBondContact OG-OE2 3.21Å
156R44.5Very low42.4Very low208 Ų208146.5 Ų146.579%0.78572%0.716SS**SBendtrans-74.6-11.1158.6-155.9174.8-178.6-171-0.9111.4S159R156-S159 PolarHBondContact O-OG 3.42Å
157E46.8Very low42.8Very low124 Ų124145 Ų14558%0.57971%0.709SS**Hα-helixtrans-77.1-20.8-174.2-60.293.2-173.400115.3S155S155-E157 WeakPolarHBondContact CA-OE2 3.4Å; S155-E157 PolarHBondContact OG-OE2 3.21Å
158T44.7Very low43.3Very low81 Ų81140.8 Ų140.850%0.49771%0.705SS.*Hα-helixtrans-82.1-32.2-177.748.20000112.4E160 K161 F162T158-E160 PolarHBondContact O-N 3.25Å; T158-K161 PolarHBondContact O-N 3.19Å; T158-F162 WeakPolarHBondContact O-CD2 3.35Å
159S47.8Very low43.6Very low75 Ų75141 Ų14152%0.52470%0.696SS.*Hα-helixtrans-70.3-28.3179.873.80000114.2R156R156-S159 PolarHBondContact O-OG 3.42Å
160E48.2Very low44.6Very low125 Ų125133.7 Ų133.758%0.58468%0.675SS**Hα-helixtrans-78.2-28.8178.3-67.3-171.5163.700112.3T158 K163T158-E160 PolarHBondContact O-N 3.25Å; E160-K163 PolarHBondContact O-N 2.65Å
161K48.8Very low45Very low148 Ų148130.2 Ų130.264%0.64367%0.668SS**Hα-helixtrans-71.2-32.3178.3-71.7179.5179.1-174.80113T158T158-K161 PolarHBondContact O-N 3.19Å
162F46Very low45.9Very low148 Ų148129.1 Ų129.165%0.64966%0.656SS**Hα-helixtrans-78.9-20.1175.1-71.1-74.3000113.4T158 L164 L165T158-F162 WeakPolarHBondContact O-CD2 3.35Å; F162-L164 VanDerWaalsContact C-N 3.34Å; F162-L165 PolarHBondContact O-N 2.94Å
163K46.4Very low47Very low173 Ų173126.4 Ų126.475%0.75265%0.648SS**Hα-helixtrans-73.5-22.8173.1-100.1-176.8174.7-176.80113.9E160 L165E160-K163 PolarHBondContact O-N 2.65Å; K163-L165 VanDerWaalsContact C-N 3.33Å
164L47.7Very low47.7Very low137 Ų137128.5 Ų128.572%0.71764%0.643SS**THydrogen-bonded Turntrans-80.9-12.9176.5-71.9168.1000113.4F162F162-L164 VanDerWaalsContact C-N 3.34Å
165L44.8Very low48.4Very low121 Ų121130.6 Ų130.663%0.63464%0.637SS**THydrogen-bonded Turntrans-88-20.9179.1-90.2142.9000113.6F162 K163F162-L165 PolarHBondContact O-N 2.94Å; K163-L165 VanDerWaalsContact C-N 3.33Å
166F42.9Very low48.8Very low185 Ų185134 Ų13481%0.81166%0.655SS**  trans-120.864.2175.3-71.2-82.5000109.9S168F166-S168 PolarHBondContact O-N 3.03Å
167Q44Very low48.8Very low129 Ų129131.4 Ų131.460%0.60365%0.649SS**  trans-69123.9160-142.9166.718.600106.6Y169Q167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Q167-Y169 WeakPolarHBondContact O-CE2 3.41Å; Q167-Y169 PolarHBondContact O-N 3.07Å
168S46.1Very low48.7Very low118 Ų118132 Ų13283%0.82566%0.662SS**  trans-66.597.417852.50000108.8F166 N170F166-S168 PolarHBondContact O-N 3.03Å; S168-N170 PolarHBondContact O-N 3.31Å
169Y46.5Very low48.5Very low173 Ų173135.1 Ų135.168%0.67868%0.676SS**  trans-67.6123.4175.2-65-79000109.5Q167Q167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Q167-Y169 WeakPolarHBondContact O-CE2 3.41Å; Q167-Y169 PolarHBondContact O-N 3.07Å
170N51.6Low48.3Very low85 Ų85135.9 Ų135.946%0.45568%0.681SS.*  trans-89.2127.4175.6-167.2-41.9000108.3S168 N172 D173S168-N170 PolarHBondContact O-N 3.31Å; N170-N172 PolarHBondContact O-N 3.31Å; N170-N172 VanDerWaalsContact OD1-CB 3.32Å; N170-N172 WeakPolarHBondContact OD1-CB 3.15Å; N170-N172 PolarHBondContact OD1-N 2.9Å; N170-N172 VanDerWaalsContact OD1-N 3.07Å; N170-N172 PolarHBondContact OD1-ND2 2.95Å; N170-D173 WeakPolarHBondContact O-CB 3.33Å; N170-D173 PolarHBondContact O-N 3.45Å
171V48.5Very low48.1Very low110 Ų110134.1 Ų134.167%0.66768%0.681SS**G310 helixtrans-55.6-23.9179.6-175.60000111.9D173 W174V171-D173 PolarHBondContact O-N 3.48Å; V171-W174 PolarHBondContact O-N 3.32Å
172N56.9Low48.1Very low90 Ų90133 Ų13348%0.48169%0.687SS.*G310 helixtrans-72.6-6.3176.2-62.4-63.9000115.2N170N170-N172 PolarHBondContact O-N 3.31Å; N170-N172 VanDerWaalsContact OD1-CB 3.32Å; N170-N172 WeakPolarHBondContact OD1-CB 3.15Å; N170-N172 PolarHBondContact OD1-N 2.9Å; N170-N172 VanDerWaalsContact OD1-N 3.07Å; N170-N172 PolarHBondContact OD1-ND2 2.95Å
173D56.6Low47.8Very low122 Ų122132.5 Ų132.565%0.65269%0.691SS**G310 helixtrans-84.6-18.3172.8-70.2-23.4000112.2N170 V171N170-D173 WeakPolarHBondContact O-CB 3.33Å; N170-D173 PolarHBondContact O-N 3.45Å; V171-D173 PolarHBondContact O-N 3.48Å
174W57.5Low47.5Very low215 Ų215129.2 Ų129.281%0.81469%0.689SS**THydrogen-bonded Turntrans-92.1-26.6177.7-67.373.4000112.7V171 V176V171-W174 PolarHBondContact O-N 3.32Å; W174-V176 PolarHBondContact O-N 3.01Å
175L53.7Low47.7Very low112 Ų112130.7 Ų130.759%0.58669%0.692SS**SBendtrans-84.1112.3170.4-67169.1000107K177L175-K177 PolarHBondContact O-N 3.23Å
176V55.3Low47.9Very low135 Ų135128 Ų12882%0.81869%0.693SS**  trans-50112.7165176.30000106.1W174 T178W174-V176 PolarHBondContact O-N 3.01Å; V176-T178 PolarHBondContact O-N 3.32Å
177K44.8Very low47.7Very low153 Ų153127.1 Ų127.167%0.66570%0.697SS**  trans-54.5111.9174.5-69.8178.2-177.1173.90105.6L175 D179L175-K177 PolarHBondContact O-N 3.23Å; K177-D179 PolarHBondContact O-N 3.47Å
178T44.2Very low48Very low138 Ų138129.8 Ų129.885%0.84771%0.709SS**  trans-66.794.9164.318.80000104V176 S180V176-T178 PolarHBondContact O-N 3.32Å; T178-S180 PolarHBondContact O-N 2.92Å
179D39.2Very low48.1Very low146 Ų146129.6 Ų129.678%0.78171%0.705SS**  trans-45.8120.2158.7-71.8-33.2000105.3K177 C181K177-D179 PolarHBondContact O-N 3.47Å; D179-C181 PolarHBondContact O-N 3.21Å
180S43.8Very low48.2Very low90 Ų90131.2 Ų131.263%0.62972%0.716SS**  trans-35119.1177.254.10000109.4T178 T182T178-S180 PolarHBondContact O-N 2.92Å; S180-T182 PolarHBondContact O-N 2.92Å
181C45.7Very low48Very low89 Ų89130.1 Ų130.160%0.60173%0.725SS**  trans-59.697.1167.4155.90000106.6D179 C184D179-C181 PolarHBondContact O-N 3.21Å; C181-C184 WeakPolarHBondContact CB-SG 3.4Å; C181-C184 WeakPolarHBondContact SG-CB 3.38Å; C181-C184 CovalentContact SG-SG 2.07Å; C181-C184 PolarHBondContact SG-SG 2.87Å
182T46.8Very low48.1Very low124 Ų124131.3 Ų131.376%0.76173%0.732SS**  trans-111.110.5164.552.60000110.6S180S180-T182 PolarHBondContact O-N 2.92Å
183N41Very low47.9Very low137 Ų137136.1 Ų136.173%0.73375%0.752SS**  trans-146.651.9176.3-147.38.9000113Q185N183-Q185 PolarHBondContact O-N 2.79Å; N183-Q185 VanDerWaalsContact O-N 3.16Å
184C40.4Very low47.9Very low104 Ų104136.3 Ų136.370%0.70375%0.751SS**  trans-83.858.7162.1-57.30000109.3C181C181-C184 WeakPolarHBondContact CB-SG 3.4Å; C181-C184 WeakPolarHBondContact SG-CB 3.38Å; C181-C184 CovalentContact SG-SG 2.07Å; C181-C184 PolarHBondContact SG-SG 2.87Å
185Q51.3Low48.1Very low169 Ų169135 Ų13579%0.7976%0.755SS**SBendtrans-140.4107.9162.6-98.2-176.7-4.300109.2N183N183-Q185 PolarHBondContact O-N 2.79Å; N183-Q185 VanDerWaalsContact O-N 3.16Å
186G48.7Very low48.1Very low64 Ų64137 Ų13766%0.6677%0.766SS**SBendtrans73.886.6161.900000115.5
187N39.6Very low48.1Very low167 Ų167136.4 Ų136.489%0.89376%0.757SS**  171.698.8125.3-81.6-36.3000108.5
188Q50.5Low48.2Very low184 Ų184132.9 Ų132.986%0.8676%0.764SS**  trans-57.5132.5172.4-68.1-75.6-17.900109.7K190Q188-K190 PolarHBondContact O-N 3.38Å
189P48.3Very low48.6Very low114 Ų114134 Ų13474%0.7477%0.765SS**  trans-63.7133.5163.726.5-30000108.6G191P189-G191 PolarHBondContact O-N 2.63Å
190K48.3Very low49Very low208 Ų208133.7 Ų133.790%0.90476%0.763SS**  trans-58.7101.9179.6-164.3171.3-174.11790109Q188Q188-K190 PolarHBondContact O-N 3.38Å
191G47.3Very low49.3Very low62 Ų62139.1 Ų139.164%0.63978%0.775SS**  trans-60.6135.6177.800000110.4P189 E193P189-G191 PolarHBondContact O-N 2.63Å; G191-E193 PolarHBondContact O-N 3.15Å
192V50Low49.1Very low135 Ų135140.2 Ų140.282%0.81878%0.782SS**  trans-69.1113.7169.4176.30000107.1I194V192-I194 PolarHBondContact O-N 3.39Å; V192-I194 VanDerWaalsContact O-N 3.1Å
193E52.2Low49.2Very low190 Ų190142.7 Ų142.789%0.88879%0.79SS**  trans-65.1106.8171.4-71.3175178.800108.4G191G191-E193 PolarHBondContact O-N 3.15Å
194I56.9Low49.3Very low126 Ų126142 Ų14265%0.64679%0.787SS**  trans-86.9113.9160.1-22.2175.8000104.7V192 N196 L197V192-I194 PolarHBondContact O-N 3.39Å; V192-I194 VanDerWaalsContact O-N 3.1Å; I194-N196 PolarHBondContact O-N 2.95Å; I194-L197 PolarHBondContact O-N 3.08Å
195E61.2Low49.6Very low189 Ų189144.4 Ų144.488%0.88379%0.792SS**THydrogen-bonded Turntrans-57.65.7-166.4-154.6175.7176.300116
196N54.9Low49.4Very low153 Ų153145 Ų14582%0.81880%0.795SS**THydrogen-bonded Turntrans-124.611.6-173.3-83.5-43.6000116.2I194I194-N196 PolarHBondContact O-N 2.95Å
197L55Low49.3Very low122 Ų122149.5 Ų149.564%0.63980%0.803SS**  trans-98.14174.1-66.1176.5000114.4I194 N199I194-L197 PolarHBondContact O-N 3.08Å; L197-N199 VanDerWaalsContact C-N 3.27Å; L197-N199 PolarHBondContact O-N 3.11Å
198G47.4Very low49.2Very low79 Ų79150.8 Ų150.881%0.81480%0.803SS**THydrogen-bonded Turntrans-74.1-3.718000000116.3
199N52.7Low48.6Very low163 Ų163146.3 Ų146.387%0.87280%0.798SS**THydrogen-bonded Turntrans-113.18.8-174.4-94.1-9.5000115.4L197 K201L197-N199 VanDerWaalsContact C-N 3.27Å; L197-N199 PolarHBondContact O-N 3.11Å; N199-K201 PolarHBondContact O-N 3.04Å
200L46.8Very low47.9Very low139 Ų139151 Ų15173%0.72881%0.807SS**  trans-89.893.9171.8-65.1178.6000110C202L200-C202 PolarHBondContact O-N 3.46Å; L200-C202 VanDerWaalsContact O-N 3.12Å
201K49.6Very low47.1Very low204 Ų204151 Ų15189%0.88781%0.807SS**  trans-67104.9167.7-155.8176.9-173.7-178.50107.9N199 L203N199-K201 PolarHBondContact O-N 3.04Å; K201-L203 PolarHBondContact O-N 3.2Å
202C42.8Very low47.4Very low111 Ų111153.4 Ų153.475%0.7581%0.811SS**  trans-64115.9176.8-74.20000109.8L200 N204L200-C202 PolarHBondContact O-N 3.46Å; L200-C202 VanDerWaalsContact O-N 3.12Å; C202-N204 VanDerWaalsContact C-N 3.29Å; C202-N204 PolarHBondContact O-N 2.56Å
203L48.5Very low46.5Very low176 Ų176154.8 Ų154.892%0.92181%0.813SS**  trans-76.278.7168.2-84160.7000108.9K201K201-L203 PolarHBondContact O-N 3.2Å
204N43.1Very low45.6Very low124 Ų124150.4 Ų150.466%0.66380%0.803SS**  trans-135.514.5173.2-162.854.3000115.3C202C202-N204 VanDerWaalsContact C-N 3.29Å; C202-N204 PolarHBondContact O-N 2.56Å
205D46.3Very low44.4Very low154 Ų154151 Ų15182%0.82481%0.813SS**THydrogen-bonded Turntrans-101.428.7-176.5-72.6-13.3000114.8
206H46.2Very low43.6Very low181 Ų181147.9 Ų147.984%0.83881%0.809SS**THydrogen-bonded Turntrans-117.48.3177.2-81.7-62.9000116.2
207L46.7Very low42.5Very low158 Ų158146.1 Ų146.183%0.82781%0.809SS**  trans-116.513.7-177.5-71.5176000116.4
208E39.3Very low42.1Very low194 Ų194148.2 Ų148.291%0.90782%0.817SS**SBendtrans-108.188.9165.6-67.5-153.9172.400112.3
209A36.6Very low42.3Very low91 Ų91150.1 Ų150.175%0.75281%0.813SS**  trans11.4114.7146.600000118.9
210K34.2Very low41.8Very low213 Ų213148.2 Ų148.293%0.92681%0.807SS**  -166.6129.6122.8-102.3159.9-173.3178.10113.1
211K32.2Very low41.8Very low207 Ų207149.2 Ų149.290%0.981%0.808SS**  trans-21.4166.7173-94.7-172171.9176.70122.2
212P52.4Low41.4Very low112 Ų112146.2 Ų146.273%0.72780%0.802SS**  trans-99.6153.5-142.739.3-35.9000115.1
213L30.4Very low41.5Very low165 Ų165149.4 Ų149.486%0.86480%0.798SS**  trans-165.7119.4147.5-145.956.7000112.8
214S34Very low41.2Very low98 Ų98147 Ų14769%0.68579%0.786SS**  trans68.8111.8143.3-55.80000124.2
215T32.3Very low41.3Very low138 Ų138146.6 Ų146.685%0.84779%0.788SS**  trans78.8139138.529.40000122.5
216P43.6Very low41.1Very low124 Ų124147.5 Ų147.581%0.80579%0.787SS**  trans-98.4147-167.438.7-30.2000112.9
217S31.5Very low40.6Very low116 Ų116145.2 Ų145.281%0.81178%0.781SS**  trans-133.2120161.9-175.50000109.4
218M46.7Very low40.4Very low166 Ų166145.7 Ų145.782%0.81878%0.779SS**  trans-53.1167.2162.2-75.2173.4128.600111
219V52.5Low40.4Very low119 Ų119145.1 Ų145.172%0.72178%0.776SS**  trans101.378.4171.3-168.50000113.9
220T42.7Very low40.5Very low123 Ų123147.8 Ų147.876%0.75578%0.777SS**  trans-167.353.7136.53.40000112.6
221E46Very low40.9Very low159 Ų159143.5 Ų143.574%0.74377%0.771SS**  trans-102.74.6172.5-76.8143161.900113.2
222D40.8Very low41.1Very low141 Ų141138.9 Ų138.975%0.75476%0.764SS**SBendtrans-95.4-3-170.5-75.5-27.5000115.7
223W46.6Very low40.6Very low178 Ų178142.6 Ų142.667%0.67477%0.768SS**SBendtrans-90.6-17179.890.8-85.2000114
224L40.4Very low41.4Very low126 Ų126140.2 Ų140.266%0.6676%0.761SS**SBendtrans-82.1-14.4-173.3-141.981.7000113.7
225V46.1Very low41.9Very low116 Ų116144.4 Ų144.470%0.70377%0.769SS**SBendtrans-90.8-16.4-172.1-176.80000112.7
226Q41.5Very low42.6Very low172 Ų172146.6 Ų146.680%0.80477%0.77SS**THydrogen-bonded Turntrans-94.1-5.9-166.7-157162.5-11.700115.5
227N36.4Very low42.6Very low134 Ų134146.3 Ų146.372%0.71777%0.766SS**THydrogen-bonded Turntrans-99.527.9179.4-78.8-52.2000114.2
228H42.7Very low42.8Very low168 Ų168145.3 Ų145.378%0.77876%0.758SS**  trans-104.165170.2-81.7-70.3000111.6
229Q38.8Very low42.8Very low181 Ų181148.3 Ų148.385%0.84676%0.76SS**  trans-146.983.6156.3-76.6-146.212.300111.4
230D38.8Very low42.9Very low147 Ų147145.8 Ų145.879%0.78675%0.752SS**  -151.7116.1125.9-95.8-35.2000106.9C232D230-C232 VanDerWaalsContact C-N 3.29Å; D230-C232 PolarHBondContact O-N 3.29Å
231P43.8Very low43.3Very low123 Ų123146.3 Ų146.380%0.79975%0.75SS**  trans-71.988.9175.526.3-28.7000108.9K233P231-K233 PolarHBondContact O-N 3.44Å
232C34.5Very low44.3Very low110 Ų110145.5 Ų145.574%0.74375%0.746SS**  trans-54.5126.1163.2-72.50000108.5D230 V234D230-C232 VanDerWaalsContact C-N 3.29Å; D230-C232 PolarHBondContact O-N 3.29Å; C232-V234 PolarHBondContact O-N 3.33Å
233K41.9Very low45Very low190 Ų190144.7 Ų144.783%0.82675%0.749SS**  trans-60.8108.9177.8-64.7-177.8-179.7-179.30109P231 E235P231-K233 PolarHBondContact O-N 3.44Å; K233-E235 PolarHBondContact O-N 3.43Å
234V47.4Very low45.9Very low115 Ų115138.5 Ų138.570%0.69773%0.732SS**THydrogen-bonded Turntrans-67.5-3.2-175.5178.10000113.1C232 E236C232-V234 PolarHBondContact O-N 3.33Å; V234-E236 PolarHBondContact O-N 3.47Å
235E45.8Very low47.2Very low186 Ų186138.7 Ų138.787%0.86974%0.739SS**THydrogen-bonded Turntrans-81.1-7-171.5-86.1166.9141.200116.1K233K233-E235 PolarHBondContact O-N 3.43Å
236E46.7Very low47.9Very low184 Ų184136.3 Ų136.386%0.8673%0.727SS**SBendtrans-119.6-4.9-173.8-70.9-173.4159.800116.7V234V234-E236 PolarHBondContact O-N 3.47Å
237V43.8Very low48.5Very low119 Ų119136.3 Ų136.372%0.72173%0.725SS**SBendtrans-142.2111.4179-1700000111.6
238C34.7Very low49.8Very low95 Ų95133.9 Ų133.964%0.64272%0.723SS**  trans59.5113.9167.8-105.90000117.8A240C238-A240 HydrophobicContact CB-CB 4.07Å; C238-A240 PolarHBondContact O-N 3.46Å
239R46.1Very low50.8Low228 Ų228131.6 Ų131.686%0.8671%0.713SS**SBendtrans-75.653.7161.4-161.5-166.9-89.3-105.3-0.8110.2
240A54.9Low51.9Low67 Ų67126.6 Ų126.655%0.55470%0.697SS**  trans-125.819.2-177.300000112.6C238C238-A240 HydrophobicContact CB-CB 4.07Å; C238-A240 PolarHBondContact O-N 3.46Å
241N52Low53.1Low134 Ų134122.6 Ų122.672%0.71768%0.678SS**  trans-100.419176.5-67.8-26.4000112.7
242E66.3Low54Low141 Ų141120.7 Ų120.766%0.65967%0.666SS**SBendtrans-85.4128.5168.2-69.4-174-176.600108.3C244E242-C244 PolarHBondContact O-N 3.35Å
243P55.4Low55.3Low125 Ų125121.6 Ų121.681%0.81266%0.664SS**  trans-65.3104.3176.226.5-32000108.6
244C66.1Low56.2Low47 Ų47121.2 Ų121.232%0.31867%0.665SS.*  trans-69.8139.7173.3-52.60000109.8E242 S246 E249 C250E242-C244 PolarHBondContact O-N 3.35Å; C244-S246 VanDerWaalsContact C-N 3.27Å; C244-E249 HydrophobicContact CB-CB 4.26Å; C244-E249 HydrophobicContact CB-CG 4.47Å; C244-C250 HydrophobicContact CB-CB 3.59Å; C244-C250 WeakPolarHBondContact CB-SG 3.46Å; C244-C250 WeakPolarHBondContact SG-CA 3.49Å; C244-C250 WeakPolarHBondContact SG-CB 3.29Å; C244-C250 CovalentContact SG-SG 2.02Å; C244-C250 PolarHBondContact SG-SG 2.92Å
245T66.5Low56.8Low131 Ų131120.1 Ų120.180%0.80466%0.655SS**SBendtrans-80.7-12.6178.865.60000112.5E249T245-E249 PolarHBondContact N-OE2 2.02Å; T245-E249 PolarHBondContact OG1-OE2 3.21Å
246S61.3Low57.9Low66 Ų66113.4 Ų113.446%0.46263%0.628SS.*SBendtrans-150.6151.9177.4176.90000111.9C244 A248 E249 C250C244-S246 VanDerWaalsContact C-N 3.27Å; S246-A248 PolarHBondContact O-N 3.25Å; S246-A248 PolarHBondContact OG-N 3.02Å; S246-E249 WeakPolarHBondContact O-CB 2.91Å; S246-E249 PolarHBondContact O-N 3.17Å; S246-C250 PolarHBondContact O-N 3.22Å
247F55.2Low58.8Low172 Ų172112.3 Ų112.375%0.75462%0.623SS**Hα-helixtrans-56.6-38.9174.3178.9-104.4000111.9E249 C250 V251F247-E249 PolarHBondContact O-N 3.46Å; F247-C250 PolarHBondContact O-N 2.97Å; F247-C250 VanDerWaalsContact O-N 3.14Å; F247-V251 HydrophobicContact CD1-CG2 3.79Å; F247-V251 HydrophobicContact CD2-CG2 4.05Å; F247-V251 HydrophobicContact CE1-CG2 3.45Å; F247-V251 VanDerWaalsContact CE1-CG2 3.45Å; F247-V251 HydrophobicContact CE2-CG2 3.72Å; F247-V251 HydrophobicContact CG-CG2 4.08Å; F247-V251 HydrophobicContact CZ-CG2 3.41Å; F247-V251 VanDerWaalsContact CZ-CG2 3.41Å; F247-V251 VanDerWaalsContact O-CG2 3.23Å; F247-V251 WeakPolarHBondContact O-CG2 3.38Å; F247-V251 PolarHBondContact O-N 3.3Å
248A64Low60.1Low82 Ų82113.8 Ų113.868%0.67862%0.62SS**Hα-helixtrans-67.1-17.5177.200000114S246S246-A248 PolarHBondContact O-N 3.25Å; S246-A248 PolarHBondContact OG-N 3.02Å
249E62.6Low62Low121 Ų121114.1 Ų114.157%0.56561%0.612SS**Hα-helixtrans-89.1-22.5176.3-171.4176.9-15300111.8C244 T245 S246 F247C244-E249 HydrophobicContact CB-CB 4.26Å; C244-E249 HydrophobicContact CB-CG 4.47Å; T245-E249 PolarHBondContact N-OE2 2.02Å; T245-E249 PolarHBondContact OG1-OE2 3.21Å; S246-E249 WeakPolarHBondContact O-CB 2.91Å; S246-E249 PolarHBondContact O-N 3.17Å; F247-E249 PolarHBondContact O-N 3.46Å
250C62.6Low63.4Low76 Ų76105.9 Ų105.951%0.51459%0.593SS.*Hα-helixtrans-95-21.4177.8-110.10000113.4C244 S246 F247 C252C244-C250 HydrophobicContact CB-CB 3.59Å; C244-C250 WeakPolarHBondContact CB-SG 3.46Å; C244-C250 WeakPolarHBondContact SG-CA 3.49Å; C244-C250 WeakPolarHBondContact SG-CB 3.29Å; C244-C250 CovalentContact SG-SG 2.02Å; C244-C250 PolarHBondContact SG-SG 2.92Å; S246-C250 PolarHBondContact O-N 3.22Å; F247-C250 PolarHBondContact O-N 2.97Å; F247-C250 VanDerWaalsContact O-N 3.14Å; C250-C252 PolarHBondContact O-N 3.15Å
251V63.6Low64.4Low62 Ų62107.5 Ų107.538%0.37659%0.591SS.*SBendtrans-78110.8174.6173.20000108F247 D253F247-V251 HydrophobicContact CD1-CG2 3.79Å; F247-V251 HydrophobicContact CD2-CG2 4.05Å; F247-V251 HydrophobicContact CE1-CG2 3.45Å; F247-V251 VanDerWaalsContact CE1-CG2 3.45Å; F247-V251 HydrophobicContact CE2-CG2 3.72Å; F247-V251 HydrophobicContact CG-CG2 4.08Å; F247-V251 HydrophobicContact CZ-CG2 3.41Å; F247-V251 VanDerWaalsContact CZ-CG2 3.41Å; F247-V251 VanDerWaalsContact O-CG2 3.23Å; F247-V251 WeakPolarHBondContact O-CG2 3.38Å; F247-V251 PolarHBondContact O-N 3.3Å; V251-D253 PolarHBondContact O-N 3.14Å
252C62.3Low65.2Low83 Ų83107.2 Ų107.256%0.56158%0.581SS**  trans-66.7115.1165.5-100.70000109.2C250 C256C250-C252 PolarHBondContact O-N 3.15Å; C252-C256 HydrophobicContact CB-CB 3.25Å; C252-C256 WeakPolarHBondContact CB-SG 3.25Å; C252-C256 WeakPolarHBondContact SG-CB 3.24Å; C252-C256 CovalentContact SG-SG 2.01Å; C252-C256 PolarHBondContact SG-SG 3.5Å
253D62Low65.5Low129 Ų129106 Ų10669%0.6957%0.574SS**  trans-57.2160.2165.1-70.7-30.2000110.2V251 N255 C256V251-D253 PolarHBondContact O-N 3.14Å; D253-N255 PolarHBondContact O-N 2.82Å; D253-C256 VanDerWaalsContact O-CB 3.25Å; D253-C256 WeakPolarHBondContact O-CB 3.3Å; D253-C256 PolarHBondContact O-N 3.24Å
254E61.8Low66.5Low182 Ų182106.9 Ų106.985%0.8556%0.561SS**THydrogen-bonded Turntrans-51.3-17.1-177.5-61.6-177.3173.100114.4
255N60.2Low66.7Low93 Ų93108.7 Ų108.750%0.49757%0.567SS.*THydrogen-bonded Turntrans-91.1-9.8-179.4-75.633.5000114.8D253 E257 K258 E259D253-N255 PolarHBondContact O-N 2.82Å; N255-E257 VanDerWaalsContact C-N 3.35Å; N255-E257 PolarHBondContact O-N 3.48Å; N255-K258 PolarHBondContact O-N 2.87Å; N255-E259 PolarHBondContact O-N 3.42Å
256C67.1Low66.7Low45 Ų45103.3 Ų103.330%0.30453%0.533SS..Hα-helixtrans-61-40.1-176.9161.70000113.2C252 D253 K258 E259 A260C252-C256 HydrophobicContact CB-CB 3.25Å; C252-C256 WeakPolarHBondContact CB-SG 3.25Å; C252-C256 WeakPolarHBondContact SG-CB 3.24Å; C252-C256 CovalentContact SG-SG 2.01Å; C252-C256 PolarHBondContact SG-SG 3.5Å; D253-C256 VanDerWaalsContact O-CB 3.25Å; D253-C256 WeakPolarHBondContact O-CB 3.3Å; D253-C256 PolarHBondContact O-N 3.24Å; C256-K258 PolarHBondContact O-N 3.25Å; C256-E259 PolarHBondContact O-N 2.01Å; C256-A260 WeakPolarHBondContact O-CB 3.17Å; C256-A260 PolarHBondContact O-N 3.5Å
257E66.4Low67.1Low161 Ų161108 Ų10875%0.75255%0.546SS*.Hα-helixtrans-63.9-42.6176.6-63.9-174.8171.800111.6N255 A260 L261N255-E257 VanDerWaalsContact C-N 3.35Å; N255-E257 PolarHBondContact O-N 3.48Å; E257-A260 PolarHBondContact O-N 3.47Å; E257-L261 VanDerWaalsContact O-CB 3.23Å; E257-L261 WeakPolarHBondContact O-CB 3.36Å; E257-L261 PolarHBondContact O-N 2.89Å
258K71.9Confident67.5Low150 Ų150106.9 Ų106.965%0.65254%0.54SS*.Hα-helixtrans-68.7-41.1179.8-68.6177.8-177.6166.80111.6N255 C256 L261 Y262N255-K258 PolarHBondContact O-N 2.87Å; C256-K258 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 3.42Å; K258-Y262 VanDerWaalsContact O-CB 3.3Å; K258-Y262 WeakPolarHBondContact O-CB 3.33Å; K258-Y262 PolarHBondContact O-N 2.82Å
259E74Confident67.5Low102 Ų102108.7 Ų108.748%0.47753%0.534SS..Hα-helixtrans-69.1-38.8176-73.9-164.5-166.600112.8N255 C256 Y262 K263N255-E259 PolarHBondContact O-N 3.42Å; C256-E259 PolarHBondContact O-N 2.01Å; E259-Y262 PolarHBondContact O-N 2.88Å; E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.02Å; E259-K263 VanDerWaalsContact O-CG 3.25Å; E259-K263 WeakPolarHBondContact O-CG 3.43Å; E259-K263 PolarHBondContact O-N 3.48Å; E259-K263 IonicContact OE2-NZ 3.58Å; E259-K263 PolarHBondContact OE2-NZ 2.83Å
260A76.1Confident67.4Low55 Ų55104.3 Ų104.346%0.45552%0.522SS..Hα-helixtrans-64.1-43.8174.500000110.6C256 E257 K263 W264C256-A260 WeakPolarHBondContact O-CB 3.17Å; C256-A260 PolarHBondContact O-N 3.5Å; E257-A260 PolarHBondContact O-N 3.47Å; A260-K263 PolarHBondContact O-N 3.48Å; A260-W264 WeakPolarHBondContact O-CB 3.34Å; A260-W264 PolarHBondContact O-N 3.47Å
261L74.2Confident67.4Low100 Ų100103.6 Ų103.652%0.52451%0.51SS..Hα-helixtrans-63.3-45.3175.8-175.865.9000111.5E257 K258 W264 L265E257-L261 VanDerWaalsContact O-CB 3.23Å; E257-L261 WeakPolarHBondContact O-CB 3.36Å; E257-L261 PolarHBondContact O-N 2.89Å; K258-L261 PolarHBondContact O-N 3.42Å; L261-W264 PolarHBondContact O-N 3.28Å; L261-L265 HydrophobicContact CD1-CD1 4.29Å; L261-L265 HydrophobicContact CD1-CG 4.38Å; L261-L265 HydrophobicContact CG-CD1 3.96Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 WeakPolarHBondContact O-CB 3.11Å; L261-L265 VanDerWaalsContact O-CG 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.48Å; L261-L265 PolarHBondContact O-N 3.45Å
262Y68.9Low67.4Low129 Ų129103.5 Ų103.551%0.50651%0.508SS..Hα-helixtrans-62.9-46.1177.6-177.1-107.4000111.7K258 E259 W264 L265 L266K258-Y262 VanDerWaalsContact O-CB 3.3Å; K258-Y262 WeakPolarHBondContact O-CB 3.33Å; K258-Y262 PolarHBondContact O-N 2.82Å; E259-Y262 PolarHBondContact O-N 2.88Å; Y262-W264 VanDerWaalsContact C-N 3.32Å; Y262-W264 PolarHBondContact O-N 2.95Å; Y262-L265 PolarHBondContact O-N 2.88Å; Y262-L266 HydrophobicContact CD1-CD1 3.61Å; Y262-L266 HydrophobicContact CD1-CG 4.4Å; Y262-L266 HydrophobicContact CE1-CD1 3.23Å; Y262-L266 HydrophobicContact CE1-CG 4.13Å; Y262-L266 HydrophobicContact CE2-CD1 4.31Å; Y262-L266 HydrophobicContact CE2-CG 4.38Å; Y262-L266 HydrophobicContact CG-CD1 4.31Å; Y262-L266 VanDerWaalsContact O-CB 3.3Å; Y262-L266 WeakPolarHBondContact O-CB 3.3Å; Y262-L266 VanDerWaalsContact O-CG 3.24Å; Y262-L266 WeakPolarHBondContact O-CG 3.09Å; Y262-L266 PolarHBondContact O-N 3.23Å
263K72.4Confident67.6Low114 Ų114107.4 Ų107.450%0.49652%0.515SS..Hα-helixtrans-63.6-36.7175.2-74167.8-174.8154.70112E259 A260 K267E259-K263 VanDerWaalsContact O-CB 3.29Å; E259-K263 WeakPolarHBondContact O-CB 3.02Å; E259-K263 VanDerWaalsContact O-CG 3.25Å; E259-K263 WeakPolarHBondContact O-CG 3.43Å; E259-K263 PolarHBondContact O-N 3.48Å; E259-K263 IonicContact OE2-NZ 3.58Å; E259-K263 PolarHBondContact OE2-NZ 2.83Å; A260-K263 PolarHBondContact O-N 3.48Å; K263-K267 VanDerWaalsContact O-CB 3.23Å; K263-K267 WeakPolarHBondContact O-CB 3.23Å; K263-K267 PolarHBondContact O-N 3.44Å
264W77.5Confident67.7Low144 Ų144107.9 Ų107.955%0.54552%0.517SS..Hα-helixtrans-70.6-44177.4-176.593.3000112A260 L261 Y262 K267 K268A260-W264 WeakPolarHBondContact O-CB 3.34Å; A260-W264 PolarHBondContact O-N 3.47Å; L261-W264 PolarHBondContact O-N 3.28Å; Y262-W264 VanDerWaalsContact C-N 3.32Å; Y262-W264 PolarHBondContact O-N 2.95Å; W264-K267 PolarHBondContact O-N 2.9Å; W264-K268 HydrophobicContact CD2-CG 3.86Å; W264-K268 HydrophobicContact CE3-CG 4.06Å; W264-K268 HydrophobicContact CH2-CG 3.93Å; W264-K268 HydrophobicContact CZ2-CD 4.14Å; W264-K268 VanDerWaalsContact CZ2-CE 3.46Å; W264-K268 HydrophobicContact CZ2-CG 3.72Å; W264-K268 HydrophobicContact CZ3-CG 4.08Å; W264-K268 WeakPolarHBondContact O-CB 3.35Å; W264-K268 WeakPolarHBondContact O-CG 3.23Å; W264-K268 PolarHBondContact O-N 2.78Å
265L70.8Confident67.4Low86 Ų86100.8 Ų100.845%0.4549%0.493SS..Hα-helixtrans-61.3-47.6175.1-75.8169.1000110.7L261 Y262 K267 K268 E269L261-L265 HydrophobicContact CD1-CD1 4.29Å; L261-L265 HydrophobicContact CD1-CG 4.38Å; L261-L265 HydrophobicContact CG-CD1 3.96Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 WeakPolarHBondContact O-CB 3.11Å; L261-L265 VanDerWaalsContact O-CG 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.48Å; L261-L265 PolarHBondContact O-N 3.45Å; Y262-L265 PolarHBondContact O-N 2.88Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.09Å; L265-K268 PolarHBondContact O-N 2.88Å; L265-E269 VanDerWaalsContact O-CB 3.31Å; L265-E269 WeakPolarHBondContact O-CB 3.05Å; L265-E269 PolarHBondContact O-N 2.92Å
266L66.8Low67.1Low17 Ų17102 Ų1029%0.08950%0.497CS..Hα-helixtrans-55.7-46.4173-77.8175.5000111.7Y262 K268 E269 G270 K271 D272Y262-L266 HydrophobicContact CD1-CD1 3.61Å; Y262-L266 HydrophobicContact CD1-CG 4.4Å; Y262-L266 HydrophobicContact CE1-CD1 3.23Å; Y262-L266 HydrophobicContact CE1-CG 4.13Å; Y262-L266 HydrophobicContact CE2-CD1 4.31Å; Y262-L266 HydrophobicContact CE2-CG 4.38Å; Y262-L266 HydrophobicContact CG-CD1 4.31Å; Y262-L266 VanDerWaalsContact O-CB 3.3Å; Y262-L266 WeakPolarHBondContact O-CB 3.3Å; Y262-L266 VanDerWaalsContact O-CG 3.24Å; Y262-L266 WeakPolarHBondContact O-CG 3.09Å; Y262-L266 PolarHBondContact O-N 3.23Å; L266-K268 PolarHBondContact O-N 3.2Å; L266-E269 PolarHBondContact O-N 2.86Å; L266-G270 PolarHBondContact O-N 3.38Å; L266-G270 VanDerWaalsContact O-N 3.09Å; L266-K271 CarbonylContact C-O 3.59Å; L266-K271 HydrophobicContact CD2-CB 4Å; L266-K271 PolarHBondContact O-N 3.34Å; L266-D272 WeakPolarHBondContact CD2-O 3.18Å
267K68.3Low66.1Low166 Ų166104.3 Ų104.372%0.72251%0.512SS*.Hα-helixtrans-68.4-34.5179.9-170.2176.7-179.6-177.10113.2K263 W264 L265 G270K263-K267 VanDerWaalsContact O-CB 3.23Å; K263-K267 WeakPolarHBondContact O-CB 3.23Å; K263-K267 PolarHBondContact O-N 3.44Å; W264-K267 PolarHBondContact O-N 2.9Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.09Å; K267-G270 PolarHBondContact O-N 3.44Å
268K64.4Low65.8Low148 Ų148100.7 Ų100.764%0.64350%0.5SS*.Hα-helixtrans-74.8-33.7177-79.8-69.1-173.1179.70112.6W264 L265 L266 G270W264-K268 HydrophobicContact CD2-CG 3.86Å; W264-K268 HydrophobicContact CE3-CG 4.06Å; W264-K268 HydrophobicContact CH2-CG 3.93Å; W264-K268 HydrophobicContact CZ2-CD 4.14Å; W264-K268 VanDerWaalsContact CZ2-CE 3.46Å; W264-K268 HydrophobicContact CZ2-CG 3.72Å; W264-K268 HydrophobicContact CZ3-CG 4.08Å; W264-K268 WeakPolarHBondContact O-CB 3.35Å; W264-K268 WeakPolarHBondContact O-CG 3.23Å; W264-K268 PolarHBondContact O-N 2.78Å; L265-K268 PolarHBondContact O-N 2.88Å; L266-K268 PolarHBondContact O-N 3.2Å; K268-G270 PolarHBondContact O-N 2.65Å
269E64.3Low64.9Low119 Ų119101.3 Ų101.356%0.55651%0.506SS*.THydrogen-bonded Turntrans-81-3.3174.9-148.2173.917700112.2L265 L266 K271L265-E269 VanDerWaalsContact O-CB 3.31Å; L265-E269 WeakPolarHBondContact O-CB 3.05Å; L265-E269 PolarHBondContact O-N 2.92Å; L266-E269 PolarHBondContact O-N 2.86Å; E269-K271 HydrophobicContact CB-CD 4.05Å; E269-K271 HydrophobicContact CB-CG 4.2Å; E269-K271 VanDerWaalsContact CD-CE 3.45Å; E269-K271 HydrophobicContact CG-CD 3.74Å; E269-K271 HydrophobicContact CG-CG 4.25Å; E269-K271 PolarHBondContact O-N 2.77Å; E269-K271 WeakPolarHBondContact OE1-CE 3.1Å; E269-K271 IonicContact OE1-NZ 3.21Å; E269-K271 PolarHBondContact OE1-NZ 3.01Å; E269-K271 WeakPolarHBondContact OE2-CD 2.89Å; E269-K271 IonicContact OE2-NZ 2.65Å
270G59.2Low63.6Low29 Ų29102.4 Ų102.430%0.29952%0.522SS..THydrogen-bonded Turntrans63.129.5-176.700000111.7L266 K267 K268 P277 V278L266-G270 PolarHBondContact O-N 3.38Å; L266-G270 VanDerWaalsContact O-N 3.09Å; K267-G270 PolarHBondContact O-N 3.44Å; K268-G270 PolarHBondContact O-N 2.65Å; G270-P277 CarbonylContact O-C 3.43Å; G270-P277 WeakPolarHBondContact O-CA 3.4Å; G270-V278 WeakPolarHBondContact O-CA 3.28Å; G270-V278 WeakPolarHBondContact O-CB 3.31Å; G270-V278 PolarHBondContact O-N 3.28Å
271K63.8Low61.9Low62 Ų62109 Ų10927%0.2754%0.54SS..BIsolated β-bridgetrans-106.5144.7-175.6-70173.5177.41800112L266 E269 G275 M276 P277L266-K271 CarbonylContact C-O 3.59Å; L266-K271 HydrophobicContact CD2-CB 4Å; L266-K271 PolarHBondContact O-N 3.34Å; E269-K271 HydrophobicContact CB-CD 4.05Å; E269-K271 HydrophobicContact CB-CG 4.2Å; E269-K271 VanDerWaalsContact CD-CE 3.45Å; E269-K271 HydrophobicContact CG-CD 3.74Å; E269-K271 HydrophobicContact CG-CG 4.25Å; E269-K271 PolarHBondContact O-N 2.77Å; E269-K271 WeakPolarHBondContact OE1-CE 3.1Å; E269-K271 IonicContact OE1-NZ 3.21Å; E269-K271 PolarHBondContact OE1-NZ 3.01Å; E269-K271 WeakPolarHBondContact OE2-CD 2.89Å; E269-K271 IonicContact OE2-NZ 2.65Å; K271-G275 WeakPolarHBondContact CD-O 3.19Å; K271-M276 CarbonylContact C-O 3.48Å; K271-M276 WeakPolarHBondContact CA-O 3.35Å; K271-P277 HydrophobicContact CG-CB 4.46Å
272D64.2Low60.3Low60 Ų60110 Ų11032%0.32155%0.552SS.*  trans-73.4176.4173.467.79.9000111.6L266 N274 G275 M276 V278L266-D272 WeakPolarHBondContact CD2-O 3.18Å; D272-N274 PolarHBondContact O-N 3.35Å; D272-N274 VanDerWaalsContact OD1-C 3.28Å; D272-N274 WeakPolarHBondContact OD1-CA 3.25Å; D272-N274 WeakPolarHBondContact OD1-CB 3.29Å; D272-N274 PolarHBondContact OD1-N 3.17Å; D272-G275 PolarHBondContact O-N 3.44Å; D272-G275 PolarHBondContact OD1-N 3.06Å; D272-G275 VanDerWaalsContact OD1-N 3.09Å; D272-M276 PolarHBondContact N-O 3.4Å; D272-M276 PolarHBondContact OD1-N 3.06Å; D272-V278 HydrophobicContact CB-CG2 3.73Å
273K66.3Low58.7Low165 Ų165112.9 Ų112.972%0.71757%0.571SS**THydrogen-bonded Turntrans-60.2-4.5178.1-62-177.2-179.7-179.40113.9
274N63.9Low57.5Low138 Ų138113.3 Ų113.374%0.73859%0.585SS**THydrogen-bonded Turntrans-112.87.9179.5-59.992.4000111.9D272D272-N274 PolarHBondContact O-N 3.35Å; D272-N274 VanDerWaalsContact OD1-C 3.28Å; D272-N274 WeakPolarHBondContact OD1-CA 3.25Å; D272-N274 WeakPolarHBondContact OD1-CB 3.29Å; D272-N274 PolarHBondContact OD1-N 3.17Å
275G55.6Low55.9Low33 Ų33114.9 Ų114.934%0.3460%0.598SS.*SBendtrans80.612.5175.300000114.7K271 D272K271-G275 WeakPolarHBondContact CD-O 3.19Å; D272-G275 PolarHBondContact O-N 3.44Å; D272-G275 PolarHBondContact OD1-N 3.06Å; D272-G275 VanDerWaalsContact OD1-N 3.09Å
276M52.7Low54.5Low119 Ų119119.7 Ų119.759%0.58662%0.616SS**  trans-95.8132.4-178.3-64.8-60.6-65.600111.4K271 D272 V278K271-M276 CarbonylContact C-O 3.48Å; K271-M276 WeakPolarHBondContact CA-O 3.35Å; D272-M276 PolarHBondContact N-O 3.4Å; D272-M276 PolarHBondContact OD1-N 3.06Å; M276-V278 PolarHBondContact O-N 2.87Å; M276-V278 VanDerWaalsContact O-N 3.09Å
277P47.4Very low53.4Low94 Ų94127 Ų12761%0.6165%0.649SS**BIsolated β-bridgetrans-63.7113.3179.723.7-30.4000111G270 K271 E279G270-P277 CarbonylContact O-C 3.43Å; G270-P277 WeakPolarHBondContact O-CA 3.4Å; K271-P277 HydrophobicContact CG-CB 4.46Å; P277-E279 PolarHBondContact O-N 3.35Å
278V58.4Low52.3Low84 Ų84127.5 Ų127.551%0.50965%0.651SS.*  trans-74.2102.6168.6-178.40000108.1G270 D272 M276G270-V278 WeakPolarHBondContact O-CA 3.28Å; G270-V278 WeakPolarHBondContact O-CB 3.31Å; G270-V278 PolarHBondContact O-N 3.28Å; D272-V278 HydrophobicContact CB-CG2 3.73Å; M276-V278 PolarHBondContact O-N 2.87Å; M276-V278 VanDerWaalsContact O-N 3.09Å
279E53.3Low51.4Low164 Ų164126.5 Ų126.577%0.76665%0.653SS**  trans-61.5146.8163.8-72.3-174.1167.300110.7P277 K281P277-E279 PolarHBondContact O-N 3.35Å; E279-K281 PolarHBondContact O-N 3.38Å; E279-K281 VanDerWaalsContact O-N 3.09Å
280P47.5Very low50.7Low125 Ų125124.5 Ų124.581%0.81265%0.652SS**  trans-63.3114.1173.624.9-30.2000109.6P282P280-P282 WeakPolarHBondContact O-CD 3.3Å
281K40.7Very low50.1Low194 Ų194129.1 Ų129.184%0.84367%0.669SS**  trans-58.9128.4176.3-78.4-179.9177.2172.70111.2E279E279-K281 PolarHBondContact O-N 3.38Å; E279-K281 VanDerWaalsContact O-N 3.09Å
282P39.1Very low49.1Very low120 Ų120131.7 Ų131.778%0.77969%0.686SS**  trans-72.2154.3145.630-27000109.7P280P280-P282 WeakPolarHBondContact O-CD 3.3Å
283E35.7Very low48.3Very low190 Ų190136.1 Ų136.189%0.88871%0.706SS**  trans-44.3153.7-172.3-96178.6133.600117.1
284P48.2Very low47.2Very low122 Ų122139.2 Ų139.279%0.79271%0.714SS**  trans-98.2102.8-170.836.5-25.8000111.9
285E43Very low46Very low178 Ų178138.8 Ų138.883%0.83271%0.711SS**  trans-147.4134.1155.7-110.6-179.1179.800109.1
286K42.5Very low45Very low187 Ų187141.8 Ų141.881%0.81373%0.726SS**SBendtrans97.68.8171.3-50.1-177.8-177.5-177.30120.4
287H43.4Very low44Very low171 Ų171142.4 Ų142.479%0.79274%0.738SS**  trans-10715.4177.6-118.8-74.1000116.1
288K45Very low43.5Very low175 Ų175147.7 Ų147.776%0.76175%0.746SS**SBendtrans-91.3-17.5-179.9-80.4179.6176.9175.40114.7N292K288-N292 PolarHBondContact O-ND2 3.1Å
289D44.6Very low42.5Very low127 Ų127153.1 Ų153.168%0.67976%0.763SS**THydrogen-bonded Turntrans-88.3-23.8-171.8-59.7-31.7000113.4
290S50.9Low41.6Very low77 Ų77152.2 Ų152.254%0.53876%0.758SS.*THydrogen-bonded Turntrans-79-23.6-178.5-520000114.1
291L44.8Very low40.9Very low127 Ų127152.1 Ų152.167%0.66576%0.756SS**THydrogen-bonded Turntrans-82.1-27.1-177.3-15381.8000112.4M293L291-M293 VanDerWaalsContact C-N 3.29Å; L291-M293 PolarHBondContact O-N 3.49Å
292N44.2Very low40.7Very low115 Ų115149.8 Ų149.862%0.61575%0.751SS**THydrogen-bonded Turntrans-75.5-13.4-179.2-79.8-43.1000113.9K288K288-N292 PolarHBondContact O-ND2 3.1Å
293M46.2Very low40.2Very low153 Ų153152.5 Ų152.575%0.75475%0.753SS**THydrogen-bonded Turntrans-76.2-24.9178.3-149.79168.100113.2L291L291-M293 VanDerWaalsContact C-N 3.29Å; L291-M293 PolarHBondContact O-N 3.49Å
294W43.5Very low40.1Very low230 Ų230151.1 Ų151.187%0.87175%0.747SS**SBendtrans-89.3-18.2-174.8-86.392.1000114
295L39.5Very low39.2Very low129 Ų129150.8 Ų150.868%0.67574%0.742SS**SBendtrans-97.7-3.5-171.1-67172.9000114.2
296C33.4Very low38.6Very low97 Ų97151.8 Ų151.866%0.65574%0.744SS**  trans-149109.4178.5-80.40000112.5R298C296-R298 PolarHBondContact O-N 2.86Å; C296-R298 VanDerWaalsContact O-N 3.13Å
297P32.9Very low38.2Very low131 Ų131147.4 Ų147.485%0.85174%0.742SS**  trans-77.396161.224.8-17.8000108.4K299P297-K299 PolarHBondContact O-N 3.11Å
298R36.5Very low38Very low206 Ų206144.7 Ų144.778%0.77774%0.74SS**  trans-73122.7172.8-159.5179.1-166.1-161.911.1108.9C296 E300C296-R298 PolarHBondContact O-N 2.86Å; C296-R298 VanDerWaalsContact O-N 3.13Å; R298-E300 WeakPolarHBondContact CD-OE1 3.21Å; R298-E300 IonicContact CZ-OE1 3.44Å; R298-E300 VanDerWaalsContact CZ-OE1 3.27Å; R298-E300 IonicContact NE-OE1 2.97Å; R298-E300 PolarHBondContact NE-OE1 2.87Å; R298-E300 IonicContact NH1-OE1 3.27Å; R298-E300 PolarHBondContact NH1-OE1 3.38Å; R298-E300 PolarHBondContact O-N 3.43Å
299K37.5Very low37.3Very low198 Ų198145.8 Ų145.886%0.86175%0.745SS**  trans-74.5110.7169.2-69.4179.1179.3178.40108.4P297P297-K299 PolarHBondContact O-N 3.11Å
300E34.9Very low37Very low144 Ų144144.9 Ų144.967%0.67376%0.755SS**  trans-120.9120.1161.1-78.6170.4-165.900108.6R298R298-E300 WeakPolarHBondContact CD-OE1 3.21Å; R298-E300 IonicContact CZ-OE1 3.44Å; R298-E300 VanDerWaalsContact CZ-OE1 3.27Å; R298-E300 IonicContact NE-OE1 2.97Å; R298-E300 PolarHBondContact NE-OE1 2.87Å; R298-E300 IonicContact NH1-OE1 3.27Å; R298-E300 PolarHBondContact NH1-OE1 3.38Å; R298-E300 PolarHBondContact O-N 3.43Å
301V32.5Very low36.3Very low124 Ų124150 Ų15075%0.75277%0.773SS**  trans-90.8119.5-176.5163.20000107.5
302I35.5Very low35.8Very low145 Ų145150.2 Ų150.274%0.74478%0.78SS**  trans63.4117.5146.4-54.4169.5000117.4
303E30.3Very low35.5Very low177 Ų177149.4 Ų149.483%0.82778%0.781SS**  -168.215590.8-149.4164.1-168.700113.1
304Q32.7Very low35.2Very low161 Ų161145.7 Ų145.775%0.75277%0.77SS**  trans-53.6158.4-164.6-53-178.311.200115
305T29.3Very low35.4Very low115 Ų115145.5 Ų145.571%0.70677%0.769SS**  176.2151.563.3-34.90000109.6
306K31.3Very low35.9Very low199 Ų199144.7 Ų144.787%0.86576%0.764SS**  trans94.2102.7162-58.4-177.2-179.4177.40118.2
307A33.3Very low36.3Very low94 Ų94143 Ų14378%0.77776%0.756SS**  trans-65.2155.6149.900000109.5
308P39.1Very low37Very low115 Ų115141.1 Ų141.175%0.74774%0.74SS**  -152.8146.265.140-19.7000117.1
309K29.8Very low37.9Very low197 Ų197134.6 Ų134.686%0.85773%0.726SS**  153.7124.3118.8-88.4-178.1178.1175.10110.4M311K309-M311 PolarHBondContact O-N 3.22Å
310A39.3Very low38.5Very low109 Ų109131.8 Ų131.890%0.90171%0.713SS**  trans-56.7123.4174.100000110.6
311M34.9Very low39.5Very low183 Ų183130.3 Ų130.390%0.90171%0.707SS**  trans-113.1120.4164.1-159.1159.7163.800106.2K309K309-M311 PolarHBondContact O-N 3.22Å
312T36Very low40.6Very low133 Ų133129.3 Ų129.382%0.81670%0.701SS**PPolyproline II helixtrans-49.7124.7-175.1-29.20000110.4S314T312-S314 PolarHBondContact O-N 3.08Å
313P36.8Very low41.6Very low98 Ų98126.3 Ų126.364%0.63669%0.685SS**PPolyproline II helixtrans-64.6130.6176.224.5-29.7000109.3R315P313-R315 PolarHBondContact O-N 3.08Å
314S41.1Very low42.8Very low74 Ų74126.3 Ų126.352%0.51768%0.682SS.*PPolyproline II helixtrans-59.4126.4175176.60000109.7T312 I316 A317T312-S314 PolarHBondContact O-N 3.08Å; S314-I316 PolarHBondContact O-N 2.96Å; S314-A317 PolarHBondContact O-N 2.87Å; S314-A317 VanDerWaalsContact O-N 3.09Å
315R47.1Very low44.2Very low227 Ų227124.6 Ų124.686%0.85768%0.679SS**Hα-helixtrans-50.9-11.6178.4-82.6-178.1175.4176.5-1.6115.2P313P313-R315 PolarHBondContact O-N 3.08Å
316I48.6Very low45.8Very low112 Ų112120.5 Ų120.557%0.57466%0.655SS**Hα-helixtrans-79.5-35.1-178.3-55.5172.2000110.9S314 D318 S319 F320S314-I316 PolarHBondContact O-N 2.96Å; I316-D318 PolarHBondContact O-N 3.26Å; I316-S319 PolarHBondContact O-N 3.04Å; I316-F320 HydrophobicContact CG2-CD2 4.21Å; I316-F320 HydrophobicContact CG2-CE2 3.84Å; I316-F320 VanDerWaalsContact O-CD2 3.3Å; I316-F320 WeakPolarHBondContact O-CD2 3.23Å
317A43.9Very low47.4Very low60 Ų60114.8 Ų114.850%0.49664%0.638SS.*Hα-helixtrans-68.6-34.5-177.500000112.6S314 S319 Q321S314-A317 PolarHBondContact O-N 2.87Å; S314-A317 VanDerWaalsContact O-N 3.09Å; A317-S319 VanDerWaalsContact C-N 3.35Å; A317-Q321 WeakPolarHBondContact O-CG 3.49Å; A317-Q321 PolarHBondContact O-N 3.05Å
318D46.2Very low47.9Very low93 Ų93117.3 Ų117.350%0.49764%0.638SS.*Hα-helixtrans-69.8-33.4178.1-65-28.9000111.8I316 F320 Q321 V322I316-D318 PolarHBondContact O-N 3.26Å; D318-F320 PolarHBondContact O-N 3.01Å; D318-Q321 PolarHBondContact O-N 3.12Å; D318-V322 VanDerWaalsContact O-CG2 3.26Å; D318-V322 WeakPolarHBondContact O-CG2 3.44Å; D318-V322 PolarHBondContact O-N 3.42Å
319S55Low48.6Very low69 Ų69115.6 Ų115.648%0.48363%0.628SS.*Hα-helixtrans-65-38-179.3-138.80000112.5I316 A317 I323I316-S319 PolarHBondContact O-N 3.04Å; A317-S319 VanDerWaalsContact C-N 3.35Å; S319-I323 WeakPolarHBondContact O-CD1 3.32Å; S319-I323 WeakPolarHBondContact O-CG1 3.33Å; S319-I323 PolarHBondContact O-N 3.43Å
320F51.2Low49.8Very low138 Ų138112.3 Ų112.361%0.60562%0.616SS**Hα-helixtrans-76.9-28.4178.1-73.6-77.1000113.2I316 D318 K324I316-F320 HydrophobicContact CG2-CD2 4.21Å; I316-F320 HydrophobicContact CG2-CE2 3.84Å; I316-F320 VanDerWaalsContact O-CD2 3.3Å; I316-F320 WeakPolarHBondContact O-CD2 3.23Å; D318-F320 PolarHBondContact O-N 3.01Å; F320-K324 PolarHBondContact O-N 3.32Å; F320-K324 VanDerWaalsContact O-N 3.16Å
321Q54.9Low50.2Low114 Ų114114.6 Ų114.653%0.53360%0.601SS.*Hα-helixtrans-72.2-34.5173.2-71-71.80.600111.8A317 D318 K324 N325A317-Q321 WeakPolarHBondContact O-CG 3.49Å; A317-Q321 PolarHBondContact O-N 3.05Å; D318-Q321 PolarHBondContact O-N 3.12Å; Q321-K324 PolarHBondContact O-N 3.05Å; Q321-N325 PolarHBondContact O-N 3.47Å; Q321-N325 PolarHBondContact O-ND2 2.95Å
322V55.6Low50.5Low103 Ų103113.1 Ų113.162%0.62460%0.596SS**Hα-helixtrans-67.7-38.8175172.20000111.3D318 N325 S326D318-V322 VanDerWaalsContact O-CG2 3.26Å; D318-V322 WeakPolarHBondContact O-CG2 3.44Å; D318-V322 PolarHBondContact O-N 3.42Å; V322-N325 PolarHBondContact O-N 2.9Å; V322-S326 PolarHBondContact O-N 3.19Å; V322-S326 PolarHBondContact O-OG 3Å
323I56.8Low51.1Low81 Ų81112.6 Ų112.642%0.41559%0.587SS.*Hα-helixtrans-67.1-36.1175.9-70.3166.1000112.2S319 N325 S326 W331S319-I323 WeakPolarHBondContact O-CD1 3.32Å; S319-I323 WeakPolarHBondContact O-CG1 3.33Å; S319-I323 PolarHBondContact O-N 3.43Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 3.26Å; I323-S326 PolarHBondContact O-OG 3.14Å; I323-W331 HydrophobicContact CB-CZ2 4.22Å; I323-W331 HydrophobicContact CG1-CH2 4.13Å; I323-W331 HydrophobicContact CG1-CZ2 3.98Å; I323-W331 HydrophobicContact CG2-CH2 4.14Å; I323-W331 HydrophobicContact CG2-CZ2 3.75Å
324K56.7Low51.3Low177 Ų177118.6 Ų118.677%0.7760%0.597SS**Hα-helixtrans-72-25.2179.8-103.7-175.1167.5-177.60114F320 Q321F320-K324 PolarHBondContact O-N 3.32Å; F320-K324 VanDerWaalsContact O-N 3.16Å; Q321-K324 PolarHBondContact O-N 3.05Å
325N61.5Low51.2Low126 Ų126120.3 Ų120.367%0.67461%0.606SS**Hα-helixtrans-107.90.1-173.4-63.7-48.9000113.4Q321 V322 I323Q321-N325 PolarHBondContact O-N 3.47Å; Q321-N325 PolarHBondContact O-ND2 2.95Å; V322-N325 PolarHBondContact O-N 2.9Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 3.26Å
326S63.4Low50.8Low29 Ų29114.4 Ų114.420%0.20360%0.597CS.*SBendtrans-86.3130.6175.359.20000111.6V322 I323 E330 W331V322-S326 PolarHBondContact O-N 3.19Å; V322-S326 PolarHBondContact O-OG 3Å; I323-S326 PolarHBondContact O-OG 3.14Å; S326-E330 WeakPolarHBondContact CB-OE2 3.5Å; S326-W331 PolarHBondContact OG-NE1 3.3Å; S326-W331 VanDerWaalsContact OG-NE1 3.07Å
327P64.9Low49.9Very low79 Ų79117.2 Ų117.251%0.51360%0.602SS.*  trans-65.9143.9175.325.5-30.7000110.7S329 E330P327-S329 PolarHBondContact O-N 3.3Å; P327-E330 WeakPolarHBondContact O-CB 3.11Å; P327-E330 PolarHBondContact O-N 2.94Å
328L43.9Very low49.5Very low147 Ų147124 Ų12477%0.7762%0.62SS**G310 helixtrans-52-22.8-177.6-105.3137000114.7E330 W331L328-E330 VanDerWaalsContact C-N 3.27Å; L328-E330 PolarHBondContact O-N 3.31Å; L328-W331 PolarHBondContact O-N 3.12Å
329S52.7Low48.8Very low78 Ų78126.3 Ų126.355%0.54563%0.628SS.*G310 helixtrans-64.7-26.8175.451.90000113.8P327 W331 L332P327-S329 PolarHBondContact O-N 3.3Å; S329-W331 VanDerWaalsContact C-N 3.32Å; S329-L332 PolarHBondContact O-N 2.77Å
330E55.5Low47.7Very low128 Ų128126 Ų12660%0.59864%0.636SS**G310 helixtrans-77.4-21-179.5-137.7168.9-162.300112.3S326 P327 L328S326-E330 WeakPolarHBondContact CB-OE2 3.5Å; P327-E330 WeakPolarHBondContact O-CB 3.11Å; P327-E330 PolarHBondContact O-N 2.94Å; L328-E330 VanDerWaalsContact C-N 3.27Å; L328-E330 PolarHBondContact O-N 3.31Å
331W46.5Very low46.5Very low158 Ų158124.8 Ų124.860%0.59865%0.645SS**THydrogen-bonded Turntrans-79.8-18.8175.6-68.280.1000113.4I323 S326 L328 S329I323-W331 HydrophobicContact CB-CZ2 4.22Å; I323-W331 HydrophobicContact CG1-CH2 4.13Å; I323-W331 HydrophobicContact CG1-CZ2 3.98Å; I323-W331 HydrophobicContact CG2-CH2 4.14Å; I323-W331 HydrophobicContact CG2-CZ2 3.75Å; S326-W331 PolarHBondContact OG-NE1 3.3Å; S326-W331 VanDerWaalsContact OG-NE1 3.07Å; L328-W331 PolarHBondContact O-N 3.12Å; S329-W331 VanDerWaalsContact C-N 3.32Å
332L42.5Very low45.6Very low151 Ų151125.1 Ų125.179%0.79166%0.657SS**THydrogen-bonded Turntrans-93.90.6-178.8-67.6175.4000113.4S329S329-L332 PolarHBondContact O-N 2.77Å
333I47.9Very low44.5Very low122 Ų122130.1 Ų130.163%0.62667%0.67SS**  trans-94.5111.1-179.7-59.8173.6000109.5
334R41.5Very low43.2Very low225 Ų225134.8 Ų134.885%0.84969%0.69SS**PPolyproline II helixtrans-52.4132.8165.2-165.5-179.9-149.3177.55.7108.7
335P38.4Very low42.1Very low109 Ų109132.6 Ų132.671%0.70869%0.691SS**PPolyproline II helixtrans-59.2136.1-179.223.2-31.6000109.5Y337P335-Y337 PolarHBondContact O-N 2.94Å
336P38.9Very low40.9Very low104 Ų104132.3 Ų132.368%0.67570%0.696SS**PPolyproline II helixtrans-62.3124.4173.126-31.3000107.4K338P336-K338 PolarHBondContact O-N 3.07Å; P336-K338 VanDerWaalsContact O-N 3.16Å
337Y30.8Very low39Very low171 Ų171134.2 Ų134.267%0.67172%0.721SS**PPolyproline II helixtrans-49122.7169.578.3-69.6000108.4P335 E339P335-Y337 PolarHBondContact O-N 2.94Å; Y337-E339 VanDerWaalsContact C-N 3.27Å; Y337-E339 HydrophobicContact CD2-CB 4.06Å; Y337-E339 HydrophobicContact CE2-CB 3.48Å; Y337-E339 VanDerWaalsContact CE2-CB 3.48Å; Y337-E339 VanDerWaalsContact CE2-CD 3.49Å; Y337-E339 HydrophobicContact CE2-CG 4.04Å; Y337-E339 WeakPolarHBondContact CE2-OE2 3.37Å; Y337-E339 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E339 PolarHBondContact O-N 3Å; Y337-E339 PolarHBondContact OH-OE2 3.36Å
338K34Very low37.3Very low203 Ų203137.2 Ų137.288%0.88374%0.738SS**  trans-75.389.7169.9-74.1-76.4-177-178.50106.3P336 G340P336-K338 PolarHBondContact O-N 3.07Å; P336-K338 VanDerWaalsContact O-N 3.16Å; K338-G340 PolarHBondContact O-N 2.9Å; K338-G340 VanDerWaalsContact O-N 3.09Å
339E32Very low36.7Very low140 Ų140139 Ų13965%0.65474%0.742SS**  trans-57.5110.1160.4-164.1122.3-132.200106.9Y337 S341Y337-E339 VanDerWaalsContact C-N 3.27Å; Y337-E339 HydrophobicContact CD2-CB 4.06Å; Y337-E339 HydrophobicContact CE2-CB 3.48Å; Y337-E339 VanDerWaalsContact CE2-CB 3.48Å; Y337-E339 VanDerWaalsContact CE2-CD 3.49Å; Y337-E339 HydrophobicContact CE2-CG 4.04Å; Y337-E339 WeakPolarHBondContact CE2-OE2 3.37Å; Y337-E339 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E339 PolarHBondContact O-N 3Å; Y337-E339 PolarHBondContact OH-OE2 3.36Å; E339-S341 PolarHBondContact O-N 2.94Å
340G31.1Very low35.5Very low64 Ų64143.2 Ų143.266%0.6676%0.759SS**  trans-63.1109.617200000108.2K338 P342K338-G340 PolarHBondContact O-N 2.9Å; K338-G340 VanDerWaalsContact O-N 3.09Å; G340-P342 VanDerWaalsContact O-CD 3.23Å; G340-P342 WeakPolarHBondContact O-CD 3.44Å
341S27.7Very low34.4Very low112 Ų112148 Ų14878%0.78377%0.771SS**PPolyproline II helixtrans-59.4122170.555.80000110.8E339E339-S341 PolarHBondContact O-N 2.94Å
342P34.4Very low33.6Very low121 Ų121145.4 Ų145.479%0.78678%0.783SS**PPolyproline II helixtrans-85.8128.7159.6-2.723.5000108.5G340G340-P342 VanDerWaalsContact O-CD 3.23Å; G340-P342 WeakPolarHBondContact O-CD 3.44Å
343K34.3Very low32.9Very low208 Ų208142 Ų14290%0.90479%0.785SS**PPolyproline II helixtrans-56.7137.8173.7-74.7174.3171.5177.30111.3
344E28.1Very low32.4Very low179 Ų179146 Ų14684%0.83680%0.798SS**PPolyproline II helixtrans-48.2153.2155.8-76.5173.4134.800110.6
345V34Very low32Very low130 Ų130144.9 Ų144.979%0.78880%0.802SS**  -168.9-176.160.3-152.30000109.7
346P36.4Very low31.7Very low120 Ų120148.4 Ų148.478%0.77981%0.806SS**  -118.2172.9-85.534.8-16000116.8
347G23.3Very low31.1Very low70 Ų70153.8 Ų153.872%0.72282%0.82SS**  trans90.8131.4154.200000114.7
348T30.2Very low31Very low142 Ų142154.7 Ų154.787%0.87183%0.827SS**  cis-163.5155.637.6-24.70000108.7
349E30.3Very low31Very low185 Ų185150.3 Ų150.386%0.86482%0.822SS**  trans-47.8144.5177.2-68.3166.2121.200114.9
350D27.5Very low31.1Very low165 Ų165149 Ų14988%0.88283%0.825SS**  -160.2152.2111-143.6-10.8000113.1
351R32.6Very low31.2Very low230 Ų230154.2 Ų154.287%0.86884%0.835SS**  trans-83.3155.9-163.2-113.1175172.8-175.60.4114.2
352A30.1Very low31.7Very low103 Ų103155.9 Ų155.985%0.85184%0.835SS**  trans79.4111.4139.300000119.9
353G28Very low31.7Very low80 Ų80156.3 Ų156.383%0.82584%0.836SS**  trans-178.488.8158.800000111.6
354K36.1Very low31.7Very low205 Ų205150.8 Ų150.889%0.89182%0.823SS**  trans-64.5135.8-178-60.2-158.9178.8-163.40112.2
355Q32.9Very low32.1Very low201 Ų201154.1 Ų154.194%0.93983%0.828SS**  -157.5140126.8-119.6176.6-12.900113.3
356K32.4Very low32Very low183 Ų183154 Ų15480%0.79683%0.831SS**  trans-73.7140.8-170.6-57.6168.9174.7179.80110.8
357F27.1Very low31.7Very low218 Ų218153.5 Ų153.596%0.95683%0.831SS**  trans-140.8140.1134.4-92.7-76.6000110.7
358K27.7Very low32.4Very low189 Ų189159.8 Ų159.882%0.82284%0.839SS**  trans-73.3140.5-159.3-60.8167.1175.2178.70111.2
359S35.1Very low32.9Very low112 Ų112158 Ų15878%0.78382%0.824SS**  trans-68.5147.1148.170.90000108.6
360P34.6Very low33.6Very low111 Ų111154.7 Ų154.772%0.72182%0.817SS**  -135.1128121.117.52.5000112
361M32.1Very low34.4Very low175 Ų175149.8 Ų149.886%0.86280%0.799SS**  trans-49.2146.8141.8-110.494.1161.700109.5
362N38.6Very low34.9Very low146 Ų146145.4 Ų145.478%0.78179%0.793SS**  trans78.3100.4170.5-71-9.1000118.1
363T33.8Very low35.7Very low131 Ų131151 Ų15180%0.80479%0.792SS**  -15198.2125.845.80000106.6
364S34.6Very low36.5Very low92 Ų92152.9 Ų152.964%0.64379%0.787SS**  60.7105.991.869.10000112.5C366S364-C366 PolarHBondContact O-N 3.45Å
365W36Very low37Very low249 Ų249150.4 Ų150.494%0.94378%0.783SS**  trans21.8102.3138.8-65.276.7000114.8S367W365-S367 PolarHBondContact O-N 3.35Å
366C32.7Very low37.3Very low126 Ų126146.8 Ų146.885%0.85178%0.777SS**  trans-59.9107.1164.5-820000108.5S364 F368S364-C366 PolarHBondContact O-N 3.45Å; C366-F368 PolarHBondContact O-N 2.99Å
367S31.1Very low37.5Very low111 Ų111141.1 Ų141.178%0.77677%0.77SS**  trans-55.9120.7162.941.60000109W365 N369W365-S367 PolarHBondContact O-N 3.35Å; S367-N369 PolarHBondContact O-N 3.29Å
368F36.3Very low38.6Very low202 Ų202140.2 Ų140.289%0.88677%0.766SS**  trans-53.9126172.4-71.5-86.5000109.9C366 T370C366-F368 PolarHBondContact O-N 2.99Å; F368-T370 PolarHBondContact O-N 3.48Å
369N41.6Very low39.1Very low103 Ų103141 Ų14155%0.55177%0.769SS**  trans-81.7113.6176.6-169-15.3000109.2S367 A371 D372S367-N369 PolarHBondContact O-N 3.29Å; N369-A371 PolarHBondContact O-N 3.5Å; N369-A371 WeakPolarHBondContact OD1-CB 3.43Å; N369-A371 PolarHBondContact OD1-N 3.15Å; N369-D372 PolarHBondContact O-N 3.41Å
370T44.1Very low39.5Very low117 Ų117143.4 Ų143.472%0.71877%0.77SS**G310 helixtrans-69.2-7.4179.4-21.20000113.1F368 D372F368-T370 PolarHBondContact O-N 3.48Å; T370-D372 VanDerWaalsContact C-N 3.32Å
371A44.5Very low39.4Very low62 Ų62140.7 Ų140.751%0.51276%0.763SS.*G310 helixtrans-75.9-16.6177.500000113.9N369 W373N369-A371 PolarHBondContact O-N 3.5Å; N369-A371 WeakPolarHBondContact OD1-CB 3.43Å; N369-A371 PolarHBondContact OD1-N 3.15Å; A371-W373 PolarHBondContact O-N 3.43Å
372D44.2Very low39.6Very low137 Ų137139.8 Ų139.873%0.73376%0.761SS**G310 helixtrans-79.5-2.4178-64.6-31.5000113.1N369 T370N369-D372 PolarHBondContact O-N 3.41Å; T370-D372 VanDerWaalsContact C-N 3.32Å
373W45.7Very low39.4Very low221 Ų221139.3 Ų139.384%0.83776%0.758SS**G310 helixtrans-106.14.9179.9-68.986.9000114.4A371A371-W373 PolarHBondContact O-N 3.43Å
374V45.3Very low39.7Very low119 Ų119137.5 Ų137.572%0.72175%0.751SS**SBendtrans-93.5112.4176.6-170.80000109.6
375L46.9Very low40.2Very low154 Ų154141.9 Ų141.981%0.80676%0.761SS**PPolyproline II helixtrans-50.4141.5172.7-69.8166.1000111G377L375-G377 PolarHBondContact O-N 2.98Å; L375-G377 VanDerWaalsContact O-N 3.12Å
376P39Very low40.1Very low125 Ų125135.7 Ų135.781%0.81275%0.746SS**PPolyproline II helixtrans-61.3122.1177.422.1-28.8000110.2
377G36Very low40.4Very low64 Ų64134.7 Ų134.766%0.6674%0.74SS**PPolyproline II helixtrans-53136.8179.800000112.9L375 K379L375-G377 PolarHBondContact O-N 2.98Å; L375-G377 VanDerWaalsContact O-N 3.12Å; G377-K379 PolarHBondContact O-N 3.49Å
378K51Low41.3Very low198 Ų198135.4 Ų135.486%0.86175%0.745SS**  trans-48.297.1177.5-164.8178.9-172.2-1780111.8M380K378-M380 PolarHBondContact O-N 3.43Å
379K38.3Very low42Very low206 Ų206129.3 Ų129.390%0.89674%0.739SS**  trans-82.298.5162.7-65.5-167.4-178.2-177.60108G377 G381G377-K379 PolarHBondContact O-N 3.49Å; K379-G381 VanDerWaalsContact C-N 3.32Å; K379-G381 PolarHBondContact O-N 3.37Å
380M44.3Very low42.2Very low162 Ų162129.6 Ų129.680%0.79874%0.737SS**  trans-66.790.4168.6-172.174.3-175.700108.5K378K378-M380 PolarHBondContact O-N 3.43Å
381G30.8Very low43.2Very low55 Ų55129.1 Ų129.157%0.56773%0.73SS**  trans-81131.3164.600000109.6K379 L383K379-G381 VanDerWaalsContact C-N 3.32Å; K379-G381 PolarHBondContact O-N 3.37Å; G381-L383 PolarHBondContact O-N 3.46Å
382N36.3Very low44.6Very low155 Ų155133.8 Ų133.883%0.82974%0.739SS**  trans-45.5117.2177.9-107.2-54.5000112.4S384N382-S384 PolarHBondContact OD1-OG 2.98Å
383L34.5Very low45.2Very low136 Ų136134.8 Ų134.871%0.71273%0.733SS**  trans-11238.5172.1-125.1152.7000110.1G381 Q385 L386G381-L383 PolarHBondContact O-N 3.46Å; L383-Q385 VanDerWaalsContact C-N 3.27Å; L383-Q385 PolarHBondContact O-N 3.4Å; L383-L386 HydrophobicContact CD2-CD1 3.89Å; L383-L386 HydrophobicContact CD2-CG 4.36Å
384S39.8Very low45.7Very low94 Ų94128.7 Ų128.766%0.65772%0.716SS**  trans-93.15017163.30000110.5N382N382-S384 PolarHBondContact OD1-OG 2.98Å
385Q46.5Very low46.5Very low183 Ų183127.7 Ų127.786%0.85571%0.706SS**  trans-165.263.9168.1-137.8174.7-6.300112.2L383L383-Q385 VanDerWaalsContact C-N 3.27Å; L383-Q385 PolarHBondContact O-N 3.4Å
386L33.9Very low47.2Very low119 Ų119129.5 Ų129.562%0.62370%0.702SS**  trans-126.2116.9155-74.6174000108.6L383L383-L386 HydrophobicContact CD2-CD1 3.89Å; L383-L386 HydrophobicContact CD2-CG 4.36Å
387S37.7Very low48.6Very low105 Ų105128.8 Ų128.873%0.73469%0.686SS**  trans-59.6138.8-175.3175.50000111.4G389S387-G389 PolarHBondContact O-N 3.3Å
388S50Low49.9Very low126 Ų126132 Ų13288%0.88168%0.682SS**SBendtrans-46.6104.4165.8169.30000111.3
389G50.9Low50.2Low74 Ų74125.2 Ų125.276%0.76366%0.663SS**  trans163.322.4175.900000115.9S387S387-G389 PolarHBondContact O-N 3.3Å
390E46.2Very low51.1Low109 Ų109120.8 Ų120.851%0.50965%0.646SS.*  trans-92.9121.8-177.8-68.4167.8161.900110.4K392E390-K392 PolarHBondContact O-N 3.34Å
391D64.5Low51.3Low107 Ų107119 Ų11957%0.57264%0.635SS**  trans-59.8118.6-177.1-165.8-7.2000110.3W393 L394 L395D391-W393 PolarHBondContact O-N 3.28Å; D391-W393 PolarHBondContact OD1-N 3.43Å; D391-L394 HydrophobicContact CB-CB 4.45Å; D391-L394 WeakPolarHBondContact O-CB 3.23Å; D391-L394 PolarHBondContact O-N 2.07Å; D391-L395 PolarHBondContact O-N 2.73Å
392K73.8Confident52.3Low161 Ų161121.1 Ų121.170%0.764%0.637SS**Hα-helixtrans-58-22.5-175.4-67.7-179.91791770112.2E390 R396E390-K392 PolarHBondContact O-N 3.34Å; K392-R396 PolarHBondContact O-N 2.69Å
393W56.8Low53.1Low157 Ų157120.7 Ų120.760%0.59563%0.634SS**Hα-helixtrans-67.9-41.2172.5178.980.9000112.7D391 L395 R396 K397D391-W393 PolarHBondContact O-N 3.28Å; D391-W393 PolarHBondContact OD1-N 3.43Å; W393-L395 VanDerWaalsContact C-N 3.31Å; W393-L395 PolarHBondContact O-N 3.06Å; W393-R396 PolarHBondContact O-N 3.02Å; W393-K397 HydrophobicContact CH2-CG 4.37Å; W393-K397 HydrophobicContact CZ2-CG 4.01Å; W393-K397 PolarHBondContact O-N 2.88Å
394L57.1Low53.7Low94 Ų94120.6 Ų120.649%0.49263%0.634SS.*Hα-helixtrans-67.4-33.9179.7-148.679.9000111.6D391 K397 K398D391-L394 HydrophobicContact CB-CB 4.45Å; D391-L394 WeakPolarHBondContact O-CB 3.23Å; D391-L394 PolarHBondContact O-N 2.07Å; L394-K397 PolarHBondContact O-N 2.88Å; L394-K398 WeakPolarHBondContact O-CB 3.47Å; L394-K398 PolarHBondContact O-N 3.48Å
395L62.5Low54Low97 Ų97122.1 Ų122.151%0.50863%0.634SS.*Hα-helixtrans-67.4-40174.1-72168.4000112.2D391 W393 A399D391-L395 PolarHBondContact O-N 2.73Å; W393-L395 VanDerWaalsContact C-N 3.31Å; W393-L395 PolarHBondContact O-N 3.06Å; L395-A399 WeakPolarHBondContact O-CB 3.17Å; L395-A399 PolarHBondContact O-N 2.91Å
396R62.1Low53.4Low192 Ų192117.1 Ų117.173%0.72562%0.62SS**Hα-helixtrans-68-39.3174.2-71.7-179.1-172.1172.21.7111.9K392 W393 A399 Q400K392-R396 PolarHBondContact O-N 2.69Å; W393-R396 PolarHBondContact O-N 3.02Å; R396-A399 PolarHBondContact O-N 2.86Å; R396-Q400 WeakPolarHBondContact O-CB 3.29Å; R396-Q400 PolarHBondContact O-N 3.38Å
397K66.8Low53.9Low110 Ų110117.8 Ų117.848%0.47863%0.631SS.*Hα-helixtrans-63.7-44.5174.8-95.9-71.1-177.5-176.20112.2W393 L394 Q400 E401W393-K397 HydrophobicContact CH2-CG 4.37Å; W393-K397 HydrophobicContact CZ2-CG 4.01Å; W393-K397 PolarHBondContact O-N 2.88Å; L394-K397 PolarHBondContact O-N 2.88Å; K397-Q400 PolarHBondContact O-N 2.96Å; K397-E401 WeakPolarHBondContact O-CB 3.12Å; K397-E401 PolarHBondContact O-N 2.73Å
398K63.4Low54Low131 Ų131119.8 Ų119.857%0.5763%0.633SS**Hα-helixtrans-64.1-39.1174.2-88.4-176.6172.41770112.9L394 Q400 E401 V402L394-K398 WeakPolarHBondContact O-CB 3.47Å; L394-K398 PolarHBondContact O-N 3.48Å; K398-Q400 VanDerWaalsContact C-N 3.33Å; K398-Q400 PolarHBondContact O-N 2.89Å; K398-E401 PolarHBondContact O-N 3.1Å; K398-V402 WeakPolarHBondContact O-CB 3.4Å; K398-V402 VanDerWaalsContact O-CG2 3.23Å; K398-V402 WeakPolarHBondContact O-CG2 3.33Å; K398-V402 PolarHBondContact O-N 3.47Å
399A57.2Low53.5Low56 Ų56122.9 Ų122.946%0.46363%0.634SS.*Hα-helixtrans-64.7-37.4175.400000112.3L395 R396 V402 L403L395-A399 WeakPolarHBondContact O-CB 3.17Å; L395-A399 PolarHBondContact O-N 2.91Å; R396-A399 PolarHBondContact O-N 2.86Å; A399-V402 PolarHBondContact O-N 3.45Å; A399-L403 PolarHBondContact O-N 2.94Å; A399-L403 VanDerWaalsContact O-N 3.15Å
400Q57.3Low52.9Low114 Ų114126.1 Ų126.153%0.53363%0.629SS.*Hα-helixtrans-71.3-34.6176.2-163.2167.519.900112.3R396 K397 K398 L403 L404R396-Q400 WeakPolarHBondContact O-CB 3.29Å; R396-Q400 PolarHBondContact O-N 3.38Å; K397-Q400 PolarHBondContact O-N 2.96Å; K398-Q400 VanDerWaalsContact C-N 3.33Å; K398-Q400 PolarHBondContact O-N 2.89Å; Q400-L403 PolarHBondContact O-N 3.21Å; Q400-L404 HydrophobicContact CG-CD1 4.27Å; Q400-L404 WeakPolarHBondContact O-CD1 3.48Å; Q400-L404 WeakPolarHBondContact O-CG 3.02Å; Q400-L404 PolarHBondContact O-N 3.16Å; Q400-L404 VanDerWaalsContact O-N 3.14Å
401E49.8Very low52.8Low123 Ų123129.3 Ų129.358%0.57564%0.644SS**Hα-helixtrans-71.8-31.2175.8-149.2175.1-156.900112.6K397 K398 L404 N405K397-E401 WeakPolarHBondContact O-CB 3.12Å; K397-E401 PolarHBondContact O-N 2.73Å; K398-E401 PolarHBondContact O-N 3.1Å; E401-L404 PolarHBondContact O-N 3.44Å; E401-N405 PolarHBondContact O-N 3.39Å; E401-N405 PolarHBondContact O-ND2 3.3Å
402V52.2Low51.5Low101 Ų101130.1 Ų130.161%0.61264%0.644SS**Hα-helixtrans-73.7-31.2174170.20000112.1K398 A399K398-V402 WeakPolarHBondContact O-CB 3.4Å; K398-V402 VanDerWaalsContact O-CG2 3.23Å; K398-V402 WeakPolarHBondContact O-CG2 3.33Å; K398-V402 PolarHBondContact O-N 3.47Å; A399-V402 PolarHBondContact O-N 3.45Å
403L51.4Low49.8Very low146 Ų146129.8 Ų129.876%0.76465%0.65SS**Hα-helixtrans-73.4-29.4171.9-87.3157.5000112.9A399 Q400A399-L403 PolarHBondContact O-N 2.94Å; A399-L403 VanDerWaalsContact O-N 3.15Å; Q400-L403 PolarHBondContact O-N 3.21Å
404L48.8Very low49Very low134 Ų134129.8 Ų129.870%0.70265%0.654SS**Hα-helixtrans-87.8-11.6-178.9-72.5166.9000114.4Q400 E401Q400-L404 HydrophobicContact CG-CD1 4.27Å; Q400-L404 WeakPolarHBondContact O-CD1 3.48Å; Q400-L404 WeakPolarHBondContact O-CG 3.02Å; Q400-L404 PolarHBondContact O-N 3.16Å; Q400-L404 VanDerWaalsContact O-N 3.14Å; E401-L404 PolarHBondContact O-N 3.44Å
405N44.4Very low48.1Very low125 Ų125129.8 Ų129.867%0.66866%0.66SS**SBendtrans-117.815.1-178.1-69.4-66.7000114.7E401E401-N405 PolarHBondContact O-N 3.39Å; E401-N405 PolarHBondContact O-ND2 3.3Å
406S35.3Very low47.3Very low79 Ų79131 Ų13155%0.55267%0.674SS**  trans-81.2131.5167.7-88.20000111L408S406-L408 PolarHBondContact O-N 3.24Å
407P43.3Very low46.4Very low133 Ų133128.4 Ų128.486%0.86467%0.674SS**SBendtrans-81.827.8-179.334.7-34.6000113.3
408L40.3Very low45.3Very low146 Ų146130.6 Ų130.676%0.76469%0.686SS**  trans-12086.2177.4-96.3151000108.1S406 E410S406-L408 PolarHBondContact O-N 3.24Å; L408-E410 VanDerWaalsContact C-N 3.27Å; L408-E410 PolarHBondContact O-N 3.31Å; L408-E410 VanDerWaalsContact O-N 3.11Å
409Q40Very low44.3Very low192 Ų192134.3 Ų134.390%0.89770%0.697SS**  trans-77.885.5166.3-159177.620.100106.8E411Q409-E411 PolarHBondContact O-N 3.43Å
410E38.7Very low43.5Very low141 Ų141135.5 Ų135.566%0.65972%0.716SS**  trans-75.7111.3168.7-166.4160.2-170.300107.4L408 H412L408-E410 VanDerWaalsContact C-N 3.27Å; L408-E410 PolarHBondContact O-N 3.31Å; L408-E410 VanDerWaalsContact O-N 3.11Å; E410-H412 VanDerWaalsContact C-N 3.26Å; E410-H412 PolarHBondContact O-N 3.39Å
411E43.8Very low42.7Very low176 Ų176137.5 Ų137.582%0.82273%0.729SS**  trans-62.387.6170.2-87.1-174.6145.400109.1Q409 N413Q409-E411 PolarHBondContact O-N 3.43Å; E411-N413 PolarHBondContact O-N 2.84Å
412H36.4Very low42.2Very low124 Ų124137 Ų13757%0.57474%0.737SS**  trans-84.6109.6159.9-75.4-52.1000109.5E410 F414E410-H412 VanDerWaalsContact C-N 3.26Å; E410-H412 PolarHBondContact O-N 3.39Å; H412-F414 HydrophobicContact CB-CD2 3.63Å; H412-F414 HydrophobicContact CB-CE2 3.44Å; H412-F414 VanDerWaalsContact CB-CE2 3.44Å; H412-F414 HydrophobicContact CB-CZ 4.44Å; H412-F414 AromaticContact CG-CE2 3.91Å; H412-F414 PolarHBondContact O-N 3.5Å; H412-F414 VanDerWaalsContact O-N 3.1Å
413N38Very low41.8Very low155 Ų155135.7 Ų135.783%0.82974%0.736SS**  trans-65.298.6164-72.5-78.7000109E411E411-N413 PolarHBondContact O-N 2.84Å
414F39.9Very low41.6Very low156 Ų156135.3 Ų135.368%0.68474%0.74SS**  trans-118.6145.5165.4-71.9-69.7000109.8H412H412-F414 HydrophobicContact CB-CD2 3.63Å; H412-F414 HydrophobicContact CB-CE2 3.44Å; H412-F414 VanDerWaalsContact CB-CE2 3.44Å; H412-F414 HydrophobicContact CB-CZ 4.44Å; H412-F414 AromaticContact CG-CE2 3.91Å; H412-F414 PolarHBondContact O-N 3.5Å; H412-F414 VanDerWaalsContact O-N 3.1Å
415P39.4Very low41.5Very low95 Ų95134.2 Ų134.262%0.61774%0.742SS**  trans-65.8151.9179.525.9-32.2000111.9D417P415-D417 VanDerWaalsContact C-N 3.26Å; P415-D417 PolarHBondContact O-N 3Å
416P45Very low41.7Very low122 Ų122132.8 Ų132.879%0.79273%0.734SS**THydrogen-bonded Turntrans-72.93.1-164.1-16.631.8000117.3
417D43.8Very low42.4Very low137 Ų137135.8 Ų135.873%0.73374%0.743SS**THydrogen-bonded Turntrans-98.19.1-162-76.5-21.8000116.9P415P415-D417 VanDerWaalsContact C-N 3.26Å; P415-D417 PolarHBondContact O-N 3Å
418H42Very low42.6Very low156 Ų156137.6 Ų137.672%0.72274%0.738SS**SBendtrans-125.915.9-173-68.3-37000117.6
419Y42.9Very low43.2Very low209 Ų209134.1 Ų134.182%0.8273%0.73SS**  trans-135.279.1169.8-60.9-77.1000111.6L421Y419-L421 PolarHBondContact O-N 3.39Å
420G39.8Very low43.6Very low82 Ų82130 Ų13085%0.84572%0.722SS**  trans-62.2101.8160.800000109.3
421L42.5Very low43.9Very low156 Ų156128.5 Ų128.582%0.81772%0.716SS**  trans-51.1139.3159.9-69.7164.9000107.9Y419 A423Y419-L421 PolarHBondContact O-N 3.39Å; L421-A423 PolarHBondContact O-N 3.25Å
422P39.2Very low44.3Very low113 Ų113128.6 Ų128.673%0.73472%0.716SS**  trans-59114.4169-15.328000107.1
423A43.8Very low45Very low73 Ų73126.8 Ų126.860%0.60371%0.71SS**  trans-50.5145.9171.600000108.5L421 C425L421-A423 PolarHBondContact O-N 3.25Å; A423-C425 PolarHBondContact O-N 2.9Å
424V46.6Very low45.8Very low138 Ų138129 Ų12984%0.83671%0.712SS**THydrogen-bonded Turntrans-65.419.6-176.7-169.20000112.7
425C47.4Very low46.7Very low110 Ų110125.6 Ų125.674%0.74371%0.705SS**THydrogen-bonded Turntrans-99.6-0.4-179.2-61.80000114.3A423A423-C425 PolarHBondContact O-N 2.9Å
426D48.6Very low47.1Very low96 Ų96125.9 Ų125.951%0.51370%0.701SS.*  trans-1026.8-174.7-125.423.2000115.5F428 A429D426-F428 PolarHBondContact O-N 3.29Å; D426-A429 WeakPolarHBondContact OD1-CB 3.35Å
427L49.4Very low47.7Very low141 Ų141129.1 Ų129.174%0.73870%0.702SS**THydrogen-bonded Turntrans-66.4-23.3174.7-109.691000113
428F47.6Very low48.4Very low172 Ų172129.7 Ų129.775%0.75470%0.701SS**THydrogen-bonded Turntrans-101.8-18.3-179.6-66.1-76.7000113.9D426 C430 M431D426-F428 PolarHBondContact O-N 3.29Å; F428-C430 VanDerWaalsContact C-N 3.26Å; F428-C430 PolarHBondContact O-N 3.32Å; F428-M431 PolarHBondContact O-N 3.43Å
429A52.3Low49Very low72 Ų72129.3 Ų129.360%0.59570%0.697SS**THydrogen-bonded Turntrans-71-23.5179.100000112.9D426D426-A429 WeakPolarHBondContact OD1-CB 3.35Å
430C48.1Very low49.5Very low107 Ų107126.3 Ų126.372%0.72368%0.684SS**THydrogen-bonded Turntrans-89.8-6.7-179.5-58.10000114.1F428 Q432F428-C430 VanDerWaalsContact C-N 3.26Å; F428-C430 PolarHBondContact O-N 3.32Å; C430-Q432 PolarHBondContact O-N 2.88Å
431M45.6Very low50.1Low108 Ų108129.7 Ų129.753%0.53268%0.682SS.*  trans-9295.3-177.9-123.9170.16700110F428 L433F428-M431 PolarHBondContact O-N 3.43Å; M431-L433 VanDerWaalsContact C-N 3.3Å; M431-L433 HydrophobicContact CE-CD1 4.44Å; M431-L433 HydrophobicContact CE-CD2 3.56Å; M431-L433 HydrophobicContact CE-CG 4.14Å; M431-L433 PolarHBondContact O-N 3.37Å
432Q52.6Low50.5Low179 Ų179132 Ų13284%0.83668%0.681SS**  trans-67.691.4166.5-81.8-179.231.200109.5C430 K434C430-Q432 PolarHBondContact O-N 2.88Å; Q432-K434 PolarHBondContact O-N 3.22Å
433L51.5Low51.1Low86 Ų86137.2 Ų137.245%0.4569%0.686SS.*  trans-72.6106.1169.7-67.9173.7000108.7M431 V435 W440M431-L433 VanDerWaalsContact C-N 3.3Å; M431-L433 HydrophobicContact CE-CD1 4.44Å; M431-L433 HydrophobicContact CE-CD2 3.56Å; M431-L433 HydrophobicContact CE-CG 4.14Å; M431-L433 PolarHBondContact O-N 3.37Å; L433-V435 PolarHBondContact O-N 3.48Å; L433-W440 HydrophobicContact CD1-CE3 4.01Å; L433-W440 HydrophobicContact CD1-CH2 3.49Å; L433-W440 VanDerWaalsContact CD1-CH2 3.49Å; L433-W440 HydrophobicContact CD1-CZ2 4.19Å; L433-W440 HydrophobicContact CD1-CZ3 3.37Å; L433-W440 HydrophobicContact CD2-CH2 3.34Å; L433-W440 HydrophobicContact CD2-CZ2 3.91Å; L433-W440 HydrophobicContact CD2-CZ3 4.08Å; L433-W440 HydrophobicContact CG-CH2 4.01Å; L433-W440 HydrophobicContact CG-CZ3 4.36Å
434K52.9Low51.3Low200 Ų200139.8 Ų139.887%0.8770%0.695SS**  trans-72.527.4172.5-70-172.6176-1780113.2Q432Q432-K434 PolarHBondContact O-N 3.22Å
435V58.8Low51.3Low86 Ų86138.8 Ų138.852%0.52169%0.691SS.*SBendtrans-134.5137.1-176.6179.20000110.3L433 K437L433-V435 PolarHBondContact O-N 3.48Å; V435-K437 PolarHBondContact O-N 3.12Å
436D49.2Very low51.4Low100 Ų100141.8 Ų141.854%0.53570%0.699SS.*  trans-46.6121.4-174.3-140.2-13.3000113.2E438 K439D436-E438 PolarHBondContact O-N 3.41Å; D436-E438 VanDerWaalsContact O-N 3.12Å; D436-K439 PolarHBondContact O-N 3.35Å
437K57.5Low51.1Low190 Ų190146.7 Ų146.783%0.82672%0.719SS**G310 helixtrans-61.9-23.6-171-69.5-179.2178.3-179.20113V435V435-K437 PolarHBondContact O-N 3.12Å
438E57.3Low50.4Low149 Ų149152.4 Ų152.470%0.69675%0.745SS**G310 helixtrans-82.3-18.1-172.5-60.4179.7-176.800113.8D436D436-E438 PolarHBondContact O-N 3.41Å; D436-E438 VanDerWaalsContact O-N 3.12Å
439K55Low50.6Low149 Ų149151.5 Ų151.565%0.64875%0.745SS**G310 helixtrans-88.2-12.7-178.9-71.6-177.1-180174.10114.2D436D436-K439 PolarHBondContact O-N 3.35Å
440W53.6Low50.5Low145 Ų145155.6 Ų155.655%0.54975%0.752SS.*SBendtrans-84.3-27.4-174-80.436.1000113.4L433 Y442L433-W440 HydrophobicContact CD1-CE3 4.01Å; L433-W440 HydrophobicContact CD1-CH2 3.49Å; L433-W440 VanDerWaalsContact CD1-CH2 3.49Å; L433-W440 HydrophobicContact CD1-CZ2 4.19Å; L433-W440 HydrophobicContact CD1-CZ3 3.37Å; L433-W440 HydrophobicContact CD2-CH2 3.34Å; L433-W440 HydrophobicContact CD2-CZ2 3.91Å; L433-W440 HydrophobicContact CD2-CZ3 4.08Å; L433-W440 HydrophobicContact CG-CH2 4.01Å; L433-W440 HydrophobicContact CG-CZ3 4.36Å; W440-Y442 PolarHBondContact O-N 3.2Å
441L52.4Low50.6Low154 Ų154158.3 Ų158.381%0.80675%0.754SS**THydrogen-bonded Turntrans-73.1-11.4179.7-76.3162.8000113.8
442Y50.7Low50.9Low204 Ų204161.3 Ų161.380%0.877%0.767SS**THydrogen-bonded Turntrans-113.914.4-173.9-64.3-73.5000115.2W440W440-Y442 PolarHBondContact O-N 3.2Å
443R51.7Low50.8Low222 Ų222160.2 Ų160.284%0.83876%0.763SS**  trans-99115.7171.6-83.3-162.4172.7-173.8-0.8111.5
444T47.6Very low50.7Low128 Ų128165.1 Ų165.179%0.78578%0.784SS**PPolyproline II helixtrans-58.4129.6168.7-31.60000109.5L446T444-L446 PolarHBondContact O-N 2.97Å
445P48.4Very low50.6Low117 Ų117162.6 Ų162.676%0.7678%0.778SS**PPolyproline II helixtrans-66.7124.9178.424.3-30.7000110.2Q447P445-Q447 PolarHBondContact O-N 2.99Å
446L48Very low50Low172 Ų172168.5 Ų168.590%0.90180%0.797SS**PPolyproline II helixtrans-74.9119.5169.7-75.7164.2000108.3T444T444-L446 PolarHBondContact O-N 2.97Å
447Q43.3Very low50Low199 Ų199174.3 Ų174.393%0.9382%0.819SS**PPolyproline II helixtrans-65.5127.9168.1-78.1175.6-25.200109.2P445P445-Q447 PolarHBondContact O-N 2.99Å
448M34.7Very low49.3Very low262 Ų262172.8 Ų172.8100%1.29182%0.818SS**  trans-104.30159.3-80.9-165.3-167.200109.3

Retrieved 448 of 448 residues in 54.8 ms (Link to these results)