A0A5K4F706_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F706, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low39.7Very low249 Ų249137 Ų137100%1.22772%0.718SS**  0112.30-75.1165.3138.700108.2
2T35.3Very low40.2Very low130 Ų130133.6 Ų133.680%0.79871%0.71SS**  trans-79.8125.4172.7270000109.4I4T2-I4 PolarHBondContact O-N 3.36Å; T2-I4 VanDerWaalsContact O-N 3.07Å
3N34.4Very low40.4Very low160 Ų160129.9 Ų129.986%0.85669%0.686SS**  trans-7794.3175.9-171.6-31.9000108.8S5N3-S5 PolarHBondContact O-N 3.49Å
4I41.2Very low40.4Very low124 Ų124130.8 Ų130.864%0.63668%0.677SS**  trans-73.7109.6176.7-60.5175.2000107.9T2 T6T2-I4 PolarHBondContact O-N 3.36Å; T2-I4 VanDerWaalsContact O-N 3.07Å; I4-T6 PolarHBondContact O-N 2.87Å; I4-T6 VanDerWaalsContact O-N 3.07Å
5S34.7Very low40.7Very low60 Ų60127.2 Ų127.242%0.4266%0.659SS.*  trans-58.9112.5174179.40000110.1N3 R7 S8N3-S5 PolarHBondContact O-N 3.49Å; S5-R7 PolarHBondContact O-N 3.24Å; S5-S8 PolarHBondContact O-N 3.44Å; S5-S8 PolarHBondContact O-OG 3.48Å
6T43.2Very low40.6Very low145 Ų145128.4 Ų128.489%0.8966%0.66SS**THydrogen-bonded Turntrans-65.812.1178.454.60000114.4I4I4-T6 PolarHBondContact O-N 2.87Å; I4-T6 VanDerWaalsContact O-N 3.07Å
7R40Very low40.6Very low233 Ų233132.5 Ų132.588%0.87967%0.667SS**THydrogen-bonded Turntrans-110.4-10.8179.7-64.4-173.3176.1-170.62.2114.3S5S5-R7 PolarHBondContact O-N 3.24Å
8S39.6Very low40.8Very low41 Ų41135.6 Ų135.629%0.28767%0.671SS.*  trans-102.2112.8174.549.80000110S5 P10S5-S8 PolarHBondContact O-N 3.44Å; S5-S8 PolarHBondContact O-OG 3.48Å; S8-P10 WeakPolarHBondContact O-CD 3.45Å
9V43.1Very low40.5Very low135 Ų135135.9 Ų135.982%0.81867%0.668SS**  trans-70.9115.8167.3179.70000107.3
10P43.7Very low40.1Very low80 Ų80135.6 Ų135.652%0.51967%0.669SS.*  trans-65.4139.117329.3-33.4000108.8S8S8-P10 WeakPolarHBondContact O-CD 3.45Å
11R46.2Very low39.8Very low150 Ų150136 Ų13657%0.56667%0.674SS**  trans-69.7153.8174.3-75.3-168.7166.8-164.9-7.4111.5E13 Y14R11-E13 HydrophobicContact CB-CG 4.03Å; R11-E13 VanDerWaalsContact CB-OE2 3.31Å; R11-E13 WeakPolarHBondContact CB-OE2 3.36Å; R11-E13 WeakPolarHBondContact CD-OE1 3.12Å; R11-E13 WeakPolarHBondContact CD-OE2 3.3Å; R11-E13 IonicContact CZ-OE1 3.6Å; R11-E13 IonicContact NE-OE1 2.83Å; R11-E13 IonicContact NH1-OE1 2.86Å; R11-E13 PolarHBondContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.26Å; R11-Y14 HydrophobicContact CB-CD2 3.93Å; R11-Y14 HydrophobicContact CB-CE2 4.12Å; R11-Y14 PolarHBondContact O-N 3.3Å
12P45.6Very low39.7Very low96 Ų96129.7 Ų129.762%0.62365%0.654SS**G310 helixtrans-53.3-37.7178.8-2736.1000114Y14 L15P12-Y14 PolarHBondContact O-N 2.65Å; P12-L15 PolarHBondContact O-N 2.66Å
13E43.3Very low39.4Very low86 Ų86127.4 Ų127.440%0.40265%0.649SS.*G310 helixtrans-59.6-10177.362.3-112.7-14000115.1R11R11-E13 HydrophobicContact CB-CG 4.03Å; R11-E13 VanDerWaalsContact CB-OE2 3.31Å; R11-E13 WeakPolarHBondContact CB-OE2 3.36Å; R11-E13 WeakPolarHBondContact CD-OE1 3.12Å; R11-E13 WeakPolarHBondContact CD-OE2 3.3Å; R11-E13 IonicContact CZ-OE1 3.6Å; R11-E13 IonicContact NE-OE1 2.83Å; R11-E13 IonicContact NH1-OE1 2.86Å; R11-E13 PolarHBondContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.26Å
14Y40.7Very low39.1Very low142 Ų142125.2 Ų125.256%0.55764%0.643SS**G310 helixtrans-103.1-9.3173.6-58.1-65.7000114R11 P12 Y18R11-Y14 HydrophobicContact CB-CD2 3.93Å; R11-Y14 HydrophobicContact CB-CE2 4.12Å; R11-Y14 PolarHBondContact O-N 3.3Å; P12-Y14 PolarHBondContact O-N 2.65Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.33Å
15L44.4Very low38.4Very low77 Ų77125.3 Ų125.340%0.40365%0.654SS.*THydrogen-bonded Turntrans-80.8-28.6178.9-71.7170000112.5P12 Y17 Y18 F19P12-L15 PolarHBondContact O-N 2.66Å; L15-Y17 PolarHBondContact O-N 3.35Å; L15-Y17 VanDerWaalsContact O-N 3.16Å; L15-Y18 PolarHBondContact O-N 2.9Å; L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 PolarHBondContact O-N 3.16Å
16E39.3Very low38.1Very low146 Ų146126.2 Ų126.268%0.68267%0.666SS**THydrogen-bonded Turntrans-56.4-31.8176.3-66.8177.1175.600112.7Y18E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 3.29Å
17Y41.1Very low37.5Very low199 Ų199129 Ų12978%0.7867%0.669SS**THydrogen-bonded Turntrans-72.5-16.2175-84.6-81.8000114.6L15L15-Y17 PolarHBondContact O-N 3.35Å; L15-Y17 VanDerWaalsContact O-N 3.16Å
18Y43.1Very low37Very low187 Ų187129.3 Ų129.373%0.73367%0.669SS**THydrogen-bonded Turntrans-98-22.1179.9-75.5-83.4000113.9Y14 L15 E16Y14-Y18 WeakPolarHBondContact O-CD2 3.33Å; L15-Y18 PolarHBondContact O-N 2.9Å; E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 3.29Å
19F36Very low36.5Very low142 Ų142133.2 Ų133.262%0.62369%0.692SS**  trans-106.635.6-172.1-75.1-83.4000114.7L15 L21L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 PolarHBondContact O-N 3.16Å; F19-L21 VanDerWaalsContact C-N 3.28Å; F19-L21 HydrophobicContact CD1-CD1 3.93Å; F19-L21 PolarHBondContact O-N 3.15Å
20N31.5Very low36Very low129 Ų129136.8 Ų136.869%0.6970%0.7SS**  trans-77.976.6166.6-92.7-67.5000111.2S22N20-S22 VanDerWaalsContact C-N 3.31Å
21L34.7Very low35.5Very low146 Ų146136.4 Ų136.476%0.76470%0.703SS**  trans-79.5-5.8177.6-85.4134.2000114.3F19 A23F19-L21 VanDerWaalsContact C-N 3.28Å; F19-L21 HydrophobicContact CD1-CD1 3.93Å; F19-L21 PolarHBondContact O-N 3.15Å; L21-A23 PolarHBondContact O-N 3.17Å
22S32.7Very low34.8Very low115 Ų115138.9 Ų138.980%0.80472%0.718SS**  trans-88.417.8-169.5-45.60000115.7N20N20-S22 VanDerWaalsContact C-N 3.31Å
23A29Very low34.5Very low83 Ų83143 Ų14369%0.68673%0.734SS**  trans-118108.8-174.500000112.6L21L21-A23 PolarHBondContact O-N 3.17Å
24P28.1Very low33.8Very low113 Ų113144 Ų14473%0.73475%0.751SS**  trans-71.2134176.129.1-33.6000111.6A26P24-A26 PolarHBondContact O-N 2.87Å
25S27Very low33.5Very low126 Ų126145 Ų14588%0.88177%0.766SS**SBendtrans32.178.1157.264.10000117.4
26A28.7Very low33.2Very low80 Ų80150.4 Ų150.466%0.66179%0.786SS**  trans-136.4120.8162.900000110.9P24 R28P24-A26 PolarHBondContact O-N 2.87Å; A26-R28 PolarHBondContact O-N 2.92Å
27H29.5Very low33.1Very low204 Ų204152.8 Ų152.894%0.94480%0.797SS**  trans-58.295.9173.6-68.8-83.9000110.8
28R29.3Very low33Very low238 Ų238149 Ų14990%0.89880%0.795SS**  trans-92.5109.6172.4-84.4-168.3170.2-173.6-0111.1A26 Q30A26-R28 PolarHBondContact O-N 2.92Å; R28-Q30 PolarHBondContact O-N 2.96Å
29T30.2Very low32.7Very low124 Ų124144.4 Ų144.476%0.76178%0.783SS**  trans-54.4122.4-179.4-30.90000111.6A31T29-A31 HydrophobicContact CG2-CB 4Å; T29-A31 PolarHBondContact O-N 3Å
30Q32.6Very low33.3Very low209 Ų209141.8 Ų141.898%0.97778%0.778SS**SBendtrans-78.241.7-172.7-156.3175.529.600113.1R28R28-Q30 PolarHBondContact O-N 2.96Å
31A32.2Very low33.7Very low72 Ų72141.3 Ų141.360%0.59578%0.776SS**  trans-12512.4-156.400000116.2T29T29-A31 HydrophobicContact CG2-CB 4Å; T29-A31 PolarHBondContact O-N 3Å
32F32.4Very low34.2Very low202 Ų202142.2 Ų142.289%0.88678%0.782SS**SBendtrans-129.418.7-171.4-116.1-82.7000116.5
33L37.7Very low34.2Very low182 Ų182139.6 Ų139.695%0.95377%0.766SS**  trans-125.566.1178-67.4175.6000112.1
34S29.2Very low34.4Very low107 Ų107141.2 Ų141.275%0.74877%0.77SS**  trans-104.5149.7162.7-65.30000110.6
35D35.2Very low34.7Very low164 Ų164140.4 Ų140.488%0.87776%0.763SS**SBendtrans63.537.3163.2-60.2-5.1000119.2
36K37Very low35Very low191 Ų191143.2 Ų143.283%0.8376%0.76SS**  trans-117.797.9152.1-77.8-170.8177-179.60111.2V38K36-V38 PolarHBondContact O-N 3.41Å; K36-V38 VanDerWaalsContact O-N 3.07Å
37E37Very low35.1Very low196 Ų196145.1 Ų145.192%0.91677%0.767SS**  trans-69.895.2169.9-170.8174-158.700109.3N39E37-N39 PolarHBondContact O-N 3.21Å
38V39.7Very low35.5Very low120 Ų120143.6 Ų143.673%0.72776%0.764SS**  trans-78101.5-178.7-177.70000109.6K36 T40K36-V38 PolarHBondContact O-N 3.41Å; K36-V38 VanDerWaalsContact O-N 3.07Å; V38-T40 PolarHBondContact O-N 3.33Å
39N37.7Very low35.8Very low90 Ų90139.6 Ų139.648%0.48176%0.756SS.*  trans-67.6117.2175-179.89000111E37 N41E37-N39 PolarHBondContact O-N 3.21Å; N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 2.82Å
40T48Very low35.7Very low86 Ų86143.6 Ų143.653%0.52876%0.757SS.*  trans-91.57.9-179.247.40000114.4V38V38-T40 PolarHBondContact O-N 3.33Å
41N40.4Very low35.7Very low120 Ų120143.1 Ų143.164%0.64275%0.752SS**SBendtrans-96.7131175-74.8-59.4000112.3N39 A43N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 2.82Å; N41-A43 PolarHBondContact O-N 2.72Å
42N43.9Very low35.6Very low165 Ų165144 Ų14488%0.88275%0.754SS**  trans-69.837178.7-65.8-13.2000114.8
43A33.5Very low35.4Very low59 Ų59143.6 Ų143.649%0.48875%0.754SS.*SBendtrans-105132.9173.800000109.7N41 V45N41-A43 PolarHBondContact O-N 2.72Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 2.91Å
44P33.7Very low35.1Very low117 Ų117140.6 Ų140.676%0.7675%0.749SS**  trans-70.591.3173.329.5-33.4000109.6F46P44-F46 PolarHBondContact O-N 3.4Å
45V34.7Very low35.1Very low96 Ų96140 Ų14058%0.58275%0.745SS**  trans-80.7108.7172.1-176.70000108A43 C47A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 2.91Å; V45-C47 PolarHBondContact O-N 2.86Å; V45-C47 VanDerWaalsContact O-N 3.1Å
46F32.2Very low34.9Very low186 Ų186142.6 Ų142.682%0.81674%0.742SS**  trans-67106.3170.8-69.9-88.1000109.5P44 L48P44-F46 PolarHBondContact O-N 3.4Å; F46-L48 PolarHBondContact O-N 3.23Å
47C31.8Very low34.6Very low120 Ų120140.9 Ų140.981%0.81174%0.741SS**  trans-69.897.7169.6-69.60000109.8V45 E49V45-C47 PolarHBondContact O-N 2.86Å; V45-C47 VanDerWaalsContact O-N 3.1Å; C47-E49 PolarHBondContact O-N 3.31Å
48L36.7Very low34.3Very low171 Ų171136.9 Ų136.990%0.89574%0.735SS**  trans-79.3108.6169-143.587.9000108.8F46F46-L48 PolarHBondContact O-N 3.23Å
49E36.5Very low34.2Very low155 Ų155137 Ų13772%0.72474%0.738SS**  trans-65.7136.6178.2-84.6-161110.300112.8C47C47-E49 PolarHBondContact O-N 3.31Å
50R28.6Very low33.8Very low208 Ų208139.7 Ų139.779%0.78575%0.748SS**  trans18.3117.3154.5-60179.9-175.2129.1-5.5118
51K31.2Very low33.2Very low198 Ų198140.8 Ų140.886%0.86176%0.759SS**  -168.6126115.3-104.9154.7-174.2174.30114.4
52S29.9Very low32.8Very low92 Ų92142.5 Ų142.564%0.64376%0.761SS**  trans49.9120.1143.956.70000121.9
53H28.2Very low32.4Very low192 Ų192145.4 Ų145.489%0.88976%0.759SS**  trans41.6105.6134.7-48.6-67.5000120
54S31.6Very low32.6Very low120 Ų120148.7 Ų148.784%0.83977%0.773SS**  -165.9142.9127.1-1680000111.2
55S30.1Very low32.6Very low95 Ų95151.7 Ų151.766%0.66478%0.776SS**  trans-82149.4166.853.70000110.6
56R29.8Very low32.8Very low218 Ų218153 Ų15382%0.82379%0.787SS**  165.8129.2128.8-90.1161.2-170-132.81.3114.3
57L31.8Very low32.5Very low155 Ų155149.7 Ų149.781%0.81279%0.786SS**  trans67.8114.9136.7-58.3168.9000120.1
58S30.7Very low32.6Very low111 Ų111149.5 Ų149.578%0.77679%0.786SS**  trans-78.6146.5160.3178.50000111.5
59P37.9Very low32.2Very low124 Ų124145 Ų14581%0.80578%0.78SS**  trans-105.8111.4158.433-22.6000111.5
60E28.6Very low32.2Very low145 Ų145143.3 Ų143.368%0.67878%0.783SS**  trans-72.9133.7168.5-173.1-179.8154.900110.3K62E60-K62 WeakPolarHBondContact OE1-CE 3.33Å; E60-K62 IonicContact OE1-NZ 2.6Å; E60-K62 PolarHBondContact OE1-NZ 2.69Å
61S35.1Very low32.3Very low109 Ų109139.3 Ų139.376%0.76279%0.787SS**  trans-142.1110.2170.3-156.90000112.6
62K32.3Very low32.5Very low156 Ų156133.6 Ų133.668%0.67878%0.784SS**  trans-92.4128.3178.6-69.7158167.4151.30110.5E60E60-K62 WeakPolarHBondContact OE1-CE 3.33Å; E60-K62 IonicContact OE1-NZ 2.6Å; E60-K62 PolarHBondContact OE1-NZ 2.69Å
63R36.1Very low32.6Very low226 Ų226136.7 Ų136.785%0.85379%0.793SS**  trans-147.693.2154.6-60.9-171.6-166.8-173.15106.3
64V37.6Very low32.8Very low128 Ų128138.1 Ų138.178%0.77679%0.791SS**  53.689.372.5-169.10000112
65H32.6Very low32.9Very low180 Ų180138.6 Ų138.683%0.83378%0.784SS**PPolyproline II helixtrans-93.3132.8158.2-77.6-90.2000109
66P38.7Very low33.1Very low124 Ų124139.8 Ų139.881%0.80579%0.787SS**PPolyproline II helixtrans-88.5138165.70.818.2000111.1
67C26.5Very low33Very low117 Ų117136.7 Ų136.779%0.79179%0.787SS**PPolyproline II helixtrans-97.3156.9176.5-71.50000113.2
68S33.3Very low32.9Very low116 Ų116133.4 Ų133.481%0.81178%0.776SS**  trans59.3101.8139.561.30000122.4
69G29.1Very low33Very low75 Ų75134.4 Ų134.477%0.77377%0.773SS**  73.9178.7128.800000120.2
70P37.4Very low32.7Very low120 Ų120135 Ų13578%0.77977%0.77SS**  cis-135.7-171.1-26.239.5-22.2000113.8
71S30.4Very low33Very low124 Ų124135.8 Ų135.887%0.86778%0.778SS**  trans80.1136.5157.2-53.60000120.3
72G35.4Very low33Very low78 Ų78136.8 Ų136.880%0.80477%0.774SS**  trans156.889.617100000113.9
73D31.3Very low33.1Very low158 Ų158135.8 Ų135.885%0.84578%0.776SS**  trans-57.8147.9-179-57.8-71.5000115.1
74R32.5Very low33.3Very low221 Ų221132.3 Ų132.383%0.83477%0.773SS**  174.9127110.8-94.8174.9172.3-158.5-2.7115.7
75L34.3Very low33.2Very low131 Ų131134.1 Ų134.169%0.68678%0.777SS**  trans67.5108.6130.4-65169.2000122.3
76T34.1Very low33Very low119 Ų119134.7 Ų134.773%0.7377%0.772SS**  54.3106.6126.659.40000122.2
77N27.6Very low32.9Very low153 Ų153134.2 Ų134.282%0.81877%0.769SS**  68.1140.6114.5-154.119000121.9
78S29.3Very low33.2Very low86 Ų86137.4 Ų137.460%0.60176%0.764SS**  trans89.1120.5155.879.60000120.8
79N33.3Very low33Very low133 Ų133137.5 Ų137.571%0.71176%0.76SS**  trans78.1109.7132.4-63.2-4.9000122.8
80N30.3Very low33.3Very low137 Ų137138.8 Ų138.873%0.73376%0.757SS**  84.6156.8125.7-61.3-17.1000121.6
81L35.9Very low33.3Very low161 Ų161139.9 Ų139.984%0.84376%0.757SS**  trans79140.1169.9-50.4174.8000114.4
82L35.6Very low33.4Very low129 Ų129144.2 Ų144.268%0.67575%0.754SS**  cis-158.9142.311.9-163.170000111.4
83N34.1Very low33.5Very low136 Ų136144.9 Ų144.973%0.72774%0.744SS**  trans36151.2151.9-52.7-12.7000120.9
84I39.5Very low33.5Very low153 Ų153145.4 Ų145.479%0.78574%0.741SS**  -162.9109.651.3-71.7171.5000106
85L35.4Very low33.7Very low166 Ų166145.4 Ų145.487%0.86975%0.748SS**  106143.195.1-159.172.2000113.6
86W28.7Very low33.5Very low192 Ų192148.3 Ų148.373%0.72776%0.758SS**  trans-110.1-164.4-166.3-99.434.6000111.4R88W86-R88 HydrophobicContact CE3-CB 4.09Å; W86-R88 HydrophobicContact CZ3-CB 4.3Å; W86-R88 HydrophobicContact CZ3-CG 4.41Å
87P37.9Very low33.5Very low113 Ų113146.9 Ų146.973%0.73476%0.758SS**  cis-130.6171.82.744.5-27.3000114.1
88R30.8Very low33.7Very low184 Ų184145.8 Ų145.869%0.69476%0.757SS**  cis65.2114.244.9-130.5-170.4-178.5-170.35.6113.7W86W86-R88 HydrophobicContact CE3-CB 4.09Å; W86-R88 HydrophobicContact CZ3-CB 4.3Å; W86-R88 HydrophobicContact CZ3-CG 4.41Å
89T30.5Very low33.8Very low119 Ų119149 Ų14973%0.7377%0.767SS**  176.8167.277.725.30000111.8
90S35.4Very low33.7Very low102 Ų102154.1 Ų154.171%0.71378%0.776SS**  trans80.2143165.4-720000118.4
91D36.6Very low33.6Very low142 Ų142155.1 Ų155.176%0.75978%0.781SS**  cis-157-164-12.7-129.8-71.8000116
92R33.2Very low33.5Very low216 Ų216153.1 Ų153.182%0.81578%0.78SS**  trans-95-178.5-175.3-89.7178.7143.9-155.8-7115.3
93P36.8Very low33.4Very low91 Ų91152.4 Ų152.459%0.59179%0.786SS**  cis-140.2-172.8-39.340.3-22.1000114.2
94E32.1Very low33.7Very low170 Ų170151.9 Ų151.979%0.79479%0.791SS**  trans49120.7146.8-74.9163.1177.500122.2
95F35.6Very low33.4Very low220 Ų220149.5 Ų149.597%0.96579%0.787SS**  -163.8141.2128-106.6-70.3000111.5
96E30.4Very low33.3Very low193 Ų193149.3 Ų149.390%0.90279%0.786SS**  trans-88137.7177.9-59.2173.9119.400112.4
97A33.8Very low33.5Very low89 Ų89145.1 Ų145.174%0.73679%0.786SS**  trans-172.6108154.100000109.5
98V32.7Very low33.5Very low130 Ų130149 Ų14979%0.78879%0.792SS**  76107.593.2169.40000114.6
99L31.6Very low33.8Very low154 Ų154148 Ų14881%0.80680%0.799SS**  trans33.9121.3155.3-69.693000120.1
100R31.1Very low34.1Very low240 Ų240146.7 Ų146.791%0.90680%0.795SS**  -175.1152.2103.3-100.9176-174.5-138.30.8114.1
101N27.5Very low34.2Very low157 Ų157148 Ų14884%0.8480%0.799SS**  trans-47139.2175.9-51.2-12.7000113.6
102S33.7Very low34.3Very low119 Ų119150.4 Ų150.483%0.83280%0.799SS**  trans-159.5106.9157-76.40000110.3
103S33.6Very low34.6Very low114 Ų114145.3 Ų145.380%0.79779%0.794SS**  trans-66.4146.1166.2-600000109.9S105S103-S105 PolarHBondContact O-N 2.94Å
104P41.4Very low34.5Very low126 Ų126146.9 Ų146.982%0.81881%0.807SS**  trans-72.8100.5179.429.1-33.6000110.9L106P104-L106 PolarHBondContact O-N 2.82Å
105S32.4Very low34.7Very low103 Ų103145.7 Ų145.772%0.7281%0.806SS**  trans-66.2125170.655.90000110.7S103 S107S103-S105 PolarHBondContact O-N 2.94Å; S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.44Å
106L33.2Very low34.8Very low162 Ų162140.1 Ų140.185%0.84879%0.794SS**  trans-75.575.2179.2-73171.1000112.3P104 F108P104-L106 PolarHBondContact O-N 2.82Å; L106-F108 PolarHBondContact O-N 3.23Å
107S33.6Very low35Very low103 Ų103140.6 Ų140.672%0.7279%0.793SS**  trans-88.976.7171.360.40000111.5S105S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.44Å
108F37.4Very low35.3Very low196 Ų196142.6 Ų142.686%0.8680%0.797SS**  trans-108.752.9170-85.1-77.6000112.2L106 S110L106-F108 PolarHBondContact O-N 3.23Å; F108-S110 PolarHBondContact O-N 3.39Å
109L37.2Very low35.5Very low162 Ų162145.3 Ų145.385%0.84880%0.8SS**  trans-84.297.7160.9-98.5157000108.4T111L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.14Å
110S36.1Very low35.5Very low91 Ų91144 Ų14464%0.63680%0.804SS**  trans-75.483.4176.1178.20000110.8F108 Y112F108-S110 PolarHBondContact O-N 3.39Å; S110-Y112 PolarHBondContact O-N 3.02Å; S110-Y112 VanDerWaalsContact O-N 3.11Å
111T38.2Very low35.7Very low129 Ų129138 Ų13879%0.79180%0.797SS**  trans-65.8105.9172.5-310000109.7L109L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.14Å
112Y38.9Very low36.1Very low194 Ų194138.3 Ų138.376%0.76180%0.799SS**  trans-78.5131.9170.9-89.8-87.7000109.9S110 S114S110-Y112 PolarHBondContact O-N 3.02Å; S110-Y112 VanDerWaalsContact O-N 3.11Å; Y112-S114 PolarHBondContact O-N 3.09Å
113P39Very low36.2Very low109 Ų109137 Ų13771%0.70879%0.788SS**  trans-69.6124.3177.328.4-33.2000110.1
114S34.3Very low36.4Very low123 Ų123141.4 Ų141.486%0.8679%0.793SS**  trans-98.677.9173.2-70.70000110.4Y112Y112-S114 PolarHBondContact O-N 3.09Å
115D37.8Very low36.2Very low145 Ų145139.6 Ų139.678%0.77578%0.783SS**  trans-123.8142.4167.8-74-51.8000108.4
116S37.8Very low36.5Very low103 Ų103144.4 Ų144.472%0.7279%0.787SS**  cis-164.2131.6-11.353.50000107.2
117K33.6Very low36.7Very low203 Ų203143.6 Ų143.688%0.88378%0.782SS**  trans-127.297.1172.7-95.9-170.4177.5179.40110.2
118T39.4Very low36.8Very low132 Ų132145.3 Ų145.381%0.8178%0.784SS**  trans-168.5119.9159.69.70000111.5
119H37.5Very low36.9Very low187 Ų187140.6 Ų140.687%0.86678%0.78SS**  trans22120.9150.5-61.5-88.7000121.4
120S32.5Very low37Very low125 Ų125137.8 Ų137.887%0.87477%0.774SS**  -161.3158.6111.6-163.80000111.3
121C35.2Very low36.9Very low115 Ų115141.9 Ų141.978%0.77778%0.784SS**  trans-87146.2-173.3-59.90000113.2
122D34.5Very low36.9Very low163 Ų163141.4 Ų141.487%0.87279%0.786SS**  -159.2139.3121.3-120.7-25.3000111.7
123P36.4Very low36.7Very low93 Ų93139.7 Ų139.760%0.60479%0.788SS**  trans-105.3158.2-176.738.2-31.6000114.3
124K39.1Very low36.8Very low206 Ų206145.4 Ų145.490%0.89680%0.795SS**  trans80.3131-178.9-50158.6-179.3170.30111.7
125S35.8Very low36.9Very low87 Ų87145.4 Ų145.461%0.60879%0.786SS**  cis-170.6159.94960.10000114.7
126Y39.8Very low37Very low204 Ų204144.5 Ų144.580%0.879%0.788SS**  trans59.198164-49.4-64000117.3
127L37.7Very low36.9Very low145 Ų145145.2 Ų145.276%0.75978%0.783SS**  81.5130.976.6-84.5172.7000115.7
128N34Very low37Very low140 Ų140142 Ų14275%0.74978%0.781SS**  trans79.193.8159.6-57.2-17.9000120.2
129A39.3Very low37Very low96 Ų96139.5 Ų139.579%0.79377%0.774SS**  177.275.8128.300000109.3
130S39.3Very low37.4Very low103 Ų103137.5 Ų137.572%0.7277%0.77SS**  66.488.795.9-61.60000115.4
131Q35.1Very low38.1Very low178 Ų178137.1 Ų137.183%0.83277%0.767SS**  trans53.4101133.4-65167.9-23.200119.1
132S37.7Very low38.9Very low119 Ų119141.4 Ų141.483%0.83277%0.772SS**  trans-138.1104.2131-164.80000109.5
133I34.8Very low40Very low158 Ų158137.2 Ų137.281%0.8176%0.756SS**  trans-79.8118.4175.9-65.5164.7000107.1
134R40.4Very low41Very low228 Ų228139 Ų13986%0.8676%0.756SS**  trans-140.4128167-138.2178.4-169.6-170.73.5110.3
135D36.4Very low42.1Very low123 Ų123132.7 Ų132.766%0.65874%0.742SS**  trans-48.9126.9-159.5-57.4-85.6000117N137D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 3.44Å
136P40.1Very low43.6Very low127 Ų127135 Ų13583%0.82574%0.743SS**  trans-88.654.1170.837.7-34.8000111.3
137N36.1Very low45.7Very low117 Ų117127 Ų12763%0.62672%0.723SS**  trans-110.7101.5-173.3-76.1-43.4000113.8D135D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 3.44Å
138T35.1Very low48Very low136 Ų136125.1 Ų125.183%0.83471%0.71SS**SBendtrans5572.5142.954.10000119.5
139A39.5Very low50.3Low79 Ų79121.2 Ų121.265%0.65370%0.698SS**  trans-162.9169.7146.700000111.2
140N46.9Very low52.5Low146 Ų146118.6 Ų118.678%0.78167%0.669SS**  trans84.52.1161-51.1-22.5000120.9S143N140-S143 PolarHBondContact O-OG 3.14Å
141S47.6Very low54.8Low117 Ų117120.3 Ų120.382%0.81867%0.666SS**THydrogen-bonded Turntrans-81.4-7.1173.848.20000115.4
142K51.8Low57.3Low204 Ų204116.4 Ų116.489%0.88765%0.649SS**THydrogen-bonded Turntrans-95.10.2-177.1-91.6178.5174.3176.30116
143S56.8Low59.8Low76 Ų76117.2 Ų117.253%0.53163%0.634SS.*SBendtrans-96.3-21.3-178.454.50000114.9N140 H146 G147N140-S143 PolarHBondContact O-OG 3.14Å; S143-H146 PolarHBondContact O-N 2.88Å; S143-G147 PolarHBondContact O-N 3.49Å
144H57.4Low62.4Low131 Ų131117 Ų11761%0.60662%0.623SS**Hα-helixtrans-64.2-48-171.7-166.3-75.2000113.2H146 G147 Q148H144-H146 VanDerWaalsContact C-N 3.32Å; H144-H146 PolarHBondContact O-N 2.74Å; H144-G147 PolarHBondContact O-N 3.19Å; H144-Q148 PolarHBondContact CE1-NE2 3.14Å; H144-Q148 PolarHBondContact O-N 2.95Å
145A62.9Low64.6Low72 Ų72109 Ų10960%0.59560%0.602SS**Hα-helixtrans-64.5-36.4177.500000112.3Q148 A149A145-Q148 PolarHBondContact O-N 3.24Å; A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 2.91Å
146H66.9Low67.3Low135 Ų135111.6 Ų111.663%0.62560%0.602SS**Hα-helixtrans-67.9-39.2174.9-174.161.1000111.7S143 H144 A149 E150S143-H146 PolarHBondContact O-N 2.88Å; H144-H146 VanDerWaalsContact C-N 3.32Å; H144-H146 PolarHBondContact O-N 2.74Å; H146-A149 PolarHBondContact O-N 3.25Å; H146-E150 VanDerWaalsContact O-CB 3.27Å; H146-E150 WeakPolarHBondContact O-CB 3.28Å; H146-E150 PolarHBondContact O-N 3.41Å
147G83.3Confident69.6Low38 Ų38108.7 Ų108.739%0.39258%0.578SS.*Hα-helixtrans-61-43.9172.900000112.8S143 H144 E150 Q151S143-G147 PolarHBondContact O-N 3.49Å; H144-G147 PolarHBondContact O-N 3.19Å; G147-E150 PolarHBondContact O-N 3.12Å; G147-Q151 VanDerWaalsContact O-CB 3.29Å; G147-Q151 WeakPolarHBondContact O-CB 3.09Å; G147-Q151 PolarHBondContact O-N 3.22Å
148Q85.6Confident71.9Confident105 Ų105106.1 Ų106.149%0.49157%0.569SS.*Hα-helixtrans-64.1-47174.7-75.1-179.3-3800112.1H144 A145 E150 Q151 I152H144-Q148 PolarHBondContact CE1-NE2 3.14Å; H144-Q148 PolarHBondContact O-N 2.95Å; A145-Q148 PolarHBondContact O-N 3.24Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-E150 PolarHBondContact O-N 2.95Å; Q148-Q151 PolarHBondContact O-N 3.05Å; Q148-I152 VanDerWaalsContact O-CG1 3.3Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.15Å
149A84Confident74.5Confident58 Ų58104.5 Ų104.548%0.47955%0.554SS.*Hα-helixtrans-60.9-41.5177.300000112.2A145 H146 I152 R153A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 2.91Å; H146-A149 PolarHBondContact O-N 3.25Å; A149-I152 PolarHBondContact O-N 2.79Å; A149-R153 WeakPolarHBondContact O-CB 3.48Å; A149-R153 PolarHBondContact O-N 2.79Å
150E83.8Confident76.8Confident40 Ų40104.4 Ų104.419%0.18755%0.546CS..Hα-helixtrans-68.2-37.2175.7176.262.7-17700112.3H146 G147 Q148 R153 R154H146-E150 VanDerWaalsContact O-CB 3.27Å; H146-E150 WeakPolarHBondContact O-CB 3.28Å; H146-E150 PolarHBondContact O-N 3.41Å; G147-E150 PolarHBondContact O-N 3.12Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-E150 PolarHBondContact O-N 2.95Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-R153 IonicContact OE1-CZ 2.63Å; E150-R153 IonicContact OE1-NH2 3.7Å; E150-R153 PolarHBondContact OE1-NH2 3Å; E150-R153 IonicContact OE2-CZ 2.72Å; E150-R153 IonicContact OE2-NE 3.63Å; E150-R153 PolarHBondContact OE2-NE 2.9Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.34Å; E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.29Å; E150-R154 WeakPolarHBondContact O-CG 3.27Å; E150-R154 PolarHBondContact O-N 3.28Å; E150-R154 IonicContact OE1-CZ 3.19Å; E150-R154 IonicContact OE1-NE 2.74Å; E150-R154 PolarHBondContact OE1-NE 3.08Å; E150-R154 IonicContact OE1-NH2 2.78Å; E150-R154 PolarHBondContact OE1-NH2 3.3Å
151Q88Confident78.8Confident140 Ų14099.3 Ų99.365%0.65452%0.517SS*.Hα-helixtrans-65.6-44.3174.1-176175.5-1.800111.3G147 Q148 R154 S155G147-Q151 VanDerWaalsContact O-CB 3.29Å; G147-Q151 WeakPolarHBondContact O-CB 3.09Å; G147-Q151 PolarHBondContact O-N 3.22Å; Q148-Q151 PolarHBondContact O-N 3.05Å; Q151-R154 PolarHBondContact O-N 3.27Å; Q151-S155 WeakPolarHBondContact O-CB 3.31Å; Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 3.37Å
152I87.8Confident80.6Confident96 Ų9697.1 Ų97.149%0.49250%0.501SS..Hα-helixtrans-60-47.3173.5-68.1164.9000109.8Q148 A149 R154 S155 R156Q148-I152 VanDerWaalsContact O-CG1 3.3Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.15Å; A149-I152 PolarHBondContact O-N 2.79Å; I152-R154 PolarHBondContact O-N 3.1Å; I152-S155 WeakPolarHBondContact CA-OG 3.46Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-OG 3.36Å; I152-R156 PolarHBondContact O-N 3.47Å
153R90.3Very high82.4Confident136 Ų13692.4 Ų92.451%0.51349%0.485SS..Hα-helixtrans-56.8-47.2176.8-168.8-178.772.382.91.4112.1A149 E150 E157A149-R153 WeakPolarHBondContact O-CB 3.48Å; A149-R153 PolarHBondContact O-N 2.79Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-R153 IonicContact OE1-CZ 2.63Å; E150-R153 IonicContact OE1-NH2 3.7Å; E150-R153 PolarHBondContact OE1-NH2 3Å; E150-R153 IonicContact OE2-CZ 2.72Å; E150-R153 IonicContact OE2-NE 3.63Å; E150-R153 PolarHBondContact OE2-NE 2.9Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.34Å; R153-E157 IonicContact NH1-OE2 2.73Å; R153-E157 WeakPolarHBondContact O-CB 3.48Å; R153-E157 PolarHBondContact O-N 3.32Å
154R88.7Confident83.9Confident154 Ų15490.6 Ų90.658%0.58147%0.469SS*.Hα-helixtrans-65.5-37.5177.1-72.4175.9-170.8-170.86.9112.8E150 Q151 I152 E157 S158E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.29Å; E150-R154 WeakPolarHBondContact O-CG 3.27Å; E150-R154 PolarHBondContact O-N 3.28Å; E150-R154 IonicContact OE1-CZ 3.19Å; E150-R154 IonicContact OE1-NE 2.74Å; E150-R154 PolarHBondContact OE1-NE 3.08Å; E150-R154 IonicContact OE1-NH2 2.78Å; E150-R154 PolarHBondContact OE1-NH2 3.3Å; Q151-R154 PolarHBondContact O-N 3.27Å; I152-R154 PolarHBondContact O-N 3.1Å; R154-E157 PolarHBondContact O-N 2.89Å; R154-S158 WeakPolarHBondContact O-CB 3.45Å; R154-S158 PolarHBondContact O-N 3.34Å
155S88.5Confident85.3Confident58 Ų5887.5 Ų87.541%0.40646%0.457SS..Hα-helixtrans-65.9-47.2176.973.10000111.5Q151 I152 E157 S158 I159Q151-S155 WeakPolarHBondContact O-CB 3.31Å; Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 3.37Å; I152-S155 WeakPolarHBondContact CA-OG 3.46Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-OG 3.36Å; S155-E157 PolarHBondContact O-N 3.34Å; S155-S158 WeakPolarHBondContact O-CB 3.25Å; S155-S158 PolarHBondContact O-N 2.97Å; S155-S158 VanDerWaalsContact O-N 3.15Å; S155-I159 WeakPolarHBondContact O-CG1 3.46Å; S155-I159 PolarHBondContact O-N 2.91Å
156R91.7Very high86.4Confident178 Ų17886.5 Ų86.567%0.67245%0.446SS*.Hα-helixtrans-56.8-49.8172.5-78.7-177.2158.7-174.3-7.4111.1I152 S158 I159 T160I152-R156 PolarHBondContact O-N 3.47Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 2.88Å; R156-I159 PolarHBondContact O-N 3.21Å; R156-T160 PolarHBondContact O-N 3.48Å; R156-T160 PolarHBondContact O-OG1 2.89Å; R156-T160 VanDerWaalsContact O-OG1 3.05Å
157E88.2Confident87.4Confident66 Ų6685.6 Ų85.631%0.30844%0.442SS..Hα-helixtrans-57.5-40.7176.6-163.3-161.6131.500111.9R153 R154 S155 F161 K198R153-E157 IonicContact NH1-OE2 2.73Å; R153-E157 WeakPolarHBondContact O-CB 3.48Å; R153-E157 PolarHBondContact O-N 3.32Å; R154-E157 PolarHBondContact O-N 2.89Å; S155-E157 PolarHBondContact O-N 3.34Å; E157-F161 HydrophobicContact CG-CD2 3.89Å; E157-F161 HydrophobicContact CG-CE2 3.8Å; E157-F161 VanDerWaalsContact O-CD2 3.24Å; E157-F161 WeakPolarHBondContact O-CD2 3.47Å; E157-F161 PolarHBondContact O-N 3.37Å; E157-K198 IonicContact OE1-NZ 3.8Å; E157-K198 PolarHBondContact OE1-NZ 3.22Å
158S85.9Confident87.7Confident64 Ų6484 Ų8445%0.44842%0.424SS..Hα-helixtrans-66.6-41.4177.4-160.30000112.7R154 S155 R156 S162R154-S158 WeakPolarHBondContact O-CB 3.45Å; R154-S158 PolarHBondContact O-N 3.34Å; S155-S158 WeakPolarHBondContact O-CB 3.25Å; S155-S158 PolarHBondContact O-N 2.97Å; S155-S158 VanDerWaalsContact O-N 3.15Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 2.88Å; S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å
159I89Confident87.7Confident102 Ų10282.2 Ų82.252%0.52342%0.423SS..Hα-helixtrans-62.5-50.2174.9-67163.3000109.5S155 R156 F161 S162 L163S155-I159 WeakPolarHBondContact O-CG1 3.46Å; S155-I159 PolarHBondContact O-N 2.91Å; R156-I159 PolarHBondContact O-N 3.21Å; I159-F161 PolarHBondContact O-N 2.81Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 3.36Å; I159-S162 VanDerWaalsContact O-N 3.08Å; I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.46Å; I159-L163 WeakPolarHBondContact O-CG 3.42Å; I159-L163 PolarHBondContact O-N 3.39Å
160T88.6Confident87.8Confident76 Ų7683.7 Ų83.747%0.46642%0.422SS..Hα-helixtrans-56.7-45.7178-55.20000112.1R156 S162 L163 I164R156-T160 PolarHBondContact O-N 3.48Å; R156-T160 PolarHBondContact O-OG1 2.89Å; R156-T160 VanDerWaalsContact O-OG1 3.05Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 2.77Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 VanDerWaalsContact O-CG1 3.31Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 3.22Å
161F87.6Confident87.8Confident40 Ų4085.9 Ų85.918%0.17544%0.44CS..Hα-helixtrans-69.6-29.5177.4-82.6-67.8000113.7E157 I159 I164 D165 K198E157-F161 HydrophobicContact CG-CD2 3.89Å; E157-F161 HydrophobicContact CG-CE2 3.8Å; E157-F161 VanDerWaalsContact O-CD2 3.24Å; E157-F161 WeakPolarHBondContact O-CD2 3.47Å; E157-F161 PolarHBondContact O-N 3.37Å; I159-F161 PolarHBondContact O-N 2.81Å; F161-I164 HydrophobicContact CD1-CD1 4.18Å; F161-I164 HydrophobicContact CE1-CD1 4.37Å; F161-D165 VanDerWaalsContact O-CB 3.28Å; F161-D165 WeakPolarHBondContact O-CB 3.25Å; F161-D165 PolarHBondContact O-N 3.06Å; F161-K198 HydrophobicContact CB-CG 4.31Å; F161-K198 HydrophobicContact CD1-CB 3.89Å; F161-K198 HydrophobicContact CD1-CD 4.47Å; F161-K198 HydrophobicContact CD1-CG 3.8Å; F161-K198 HydrophobicContact CD2-CB 4.3Å; F161-K198 HydrophobicContact CD2-CD 3.47Å; F161-K198 VanDerWaalsContact CD2-CD 3.47Å; F161-K198 HydrophobicContact CD2-CG 3.72Å; F161-K198 HydrophobicContact CE1-CB 3.62Å; F161-K198 HydrophobicContact CE1-CG 4.01Å; F161-K198 WeakPolarHBondContact CE1-O 3.48Å; F161-K198 HydrophobicContact CE2-CB 4.06Å; F161-K198 HydrophobicContact CE2-CD 3.6Å; F161-K198 HydrophobicContact CE2-CG 3.94Å; F161-K198 HydrophobicContact CG-CB 4.24Å; F161-K198 HydrophobicContact CG-CD 3.96Å; F161-K198 HydrophobicContact CG-CG 3.66Å; F161-K198 HydrophobicContact CZ-CB 3.72Å; F161-K198 HydrophobicContact CZ-CD 4.17Å; F161-K198 HydrophobicContact CZ-CG 4.08Å
162S85.3Confident87.7Confident71 Ų7183.3 Ų83.350%0.49744%0.436SS..Hα-helixtrans-69.1-40174.1-53.20000111.2S158 I159 T160 D165 S166S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 3.36Å; I159-S162 VanDerWaalsContact O-N 3.08Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 2.77Å; S162-D165 PolarHBondContact O-N 2.85Å; S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.68Å
163L90.1Very high87.6Confident105 Ų10581 Ų8155%0.5542%0.424SS..Hα-helixtrans-63.8-45.9172.7-68.3171.8000111.5I159 T160 D165 S166 Q167I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.46Å; I159-L163 WeakPolarHBondContact O-CG 3.42Å; I159-L163 PolarHBondContact O-N 3.39Å; T160-L163 PolarHBondContact O-N 2.79Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.86Å; L163-S166 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-OG 3.31Å; L163-Q167 WeakPolarHBondContact O-CG 3.49Å; L163-Q167 PolarHBondContact O-N 3.38Å
164I88.7Confident87.3Confident38 Ų3876.5 Ų76.520%0.19541%0.41CS..Hα-helixtrans-59.5-42.2173.7-67.4165.2000110.9T160 F161 Q167 L168 N201 V205T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 VanDerWaalsContact O-CG1 3.31Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 3.22Å; F161-I164 HydrophobicContact CD1-CD1 4.18Å; F161-I164 HydrophobicContact CE1-CD1 4.37Å; I164-Q167 PolarHBondContact O-N 3.02Å; I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.16Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 3.13Å; I164-N201 HydrophobicContact CG2-CB 3.92Å; I164-V205 HydrophobicContact CG2-CG2 3.67Å
165D87.1Confident87.2Confident65 Ų6575 Ų7535%0.34841%0.41SS..Hα-helixtrans-65.9-40.1-178-158.456.4000112.6F161 S162 L163 S169 R177 N201F161-D165 VanDerWaalsContact O-CB 3.28Å; F161-D165 WeakPolarHBondContact O-CB 3.25Å; F161-D165 PolarHBondContact O-N 3.06Å; S162-D165 PolarHBondContact O-N 2.85Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.86Å; D165-S169 PolarHBondContact O-N 3.29Å; D165-S169 VanDerWaalsContact O-N 3.12Å; D165-R177 PolarHBondContact O-NH1 2.74Å; D165-R177 IonicContact OD1-CZ 3.31Å; D165-R177 IonicContact OD1-NH1 3.01Å; D165-R177 PolarHBondContact OD1-NH1 3.34Å; D165-R177 IonicContact OD1-NH2 2.68Å; D165-R177 PolarHBondContact OD1-NH2 3.15Å; D165-N201 PolarHBondContact OD1-ND2 3.14Å
166S86Confident86.9Confident51 Ų5175.4 Ų75.436%0.35741%0.407SS..Hα-helixtrans-67.4-42.5173.763.20000112.8S162 L163 L168 S169 I170S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.68Å; L163-S166 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-OG 3.31Å; S166-L168 PolarHBondContact O-N 2.76Å; S166-S169 PolarHBondContact O-N 2.98Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.29Å; S166-I170 WeakPolarHBondContact O-CG1 3.24Å
167Q88.2Confident86.6Confident116 Ų11668.8 Ų68.854%0.54238%0.381SS..Hα-helixtrans-64.8-39.8175.8-68.8-66.6-15.500111.9L163 I164 S169 I170L163-Q167 WeakPolarHBondContact O-CG 3.49Å; L163-Q167 PolarHBondContact O-N 3.38Å; I164-Q167 PolarHBondContact O-N 3.02Å; Q167-S169 VanDerWaalsContact C-N 3.25Å; Q167-S169 PolarHBondContact O-N 2.96Å; Q167-I170 PolarHBondContact O-N 2.99Å
168L88.3Confident86.3Confident4 Ų469.2 Ų69.22%0.02139%0.386CS..THydrogen-bonded Turntrans-74.5-6.3175.1-68.6-177.1000114.4I164 S166 L173 N174 N201 V204 V205 I208I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.16Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 3.13Å; S166-L168 PolarHBondContact O-N 2.76Å; L168-L173 HydrophobicContact CD2-CB 4.24Å; L168-L173 HydrophobicContact CD2-CD1 4.48Å; L168-N174 VanDerWaalsContact O-CA 3.26Å; L168-N174 WeakPolarHBondContact O-CA 3.41Å; L168-N174 PolarHBondContact O-N 3.48Å; L168-N201 HydrophobicContact CD1-CB 3.82Å; L168-V204 HydrophobicContact CD1-CB 4.18Å; L168-V204 HydrophobicContact CD1-CG1 4.08Å; L168-V204 HydrophobicContact CD2-CG1 3.74Å; L168-V205 HydrophobicContact CD1-CG2 4.17Å; L168-V205 HydrophobicContact CD2-CG2 4.29Å; L168-V205 HydrophobicContact CG-CG2 4.41Å; L168-I208 HydrophobicContact CD2-CD1 3.62Å
169S85.5Confident86.1Confident68 Ų6870.9 Ų70.948%0.47639%0.389SS..THydrogen-bonded Turntrans-93-9.317473.30000113.2D165 S166 Q167 N174D165-S169 PolarHBondContact O-N 3.29Å; D165-S169 VanDerWaalsContact O-N 3.12Å; S166-S169 PolarHBondContact O-N 2.98Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.29Å; Q167-S169 VanDerWaalsContact C-N 3.25Å; Q167-S169 PolarHBondContact O-N 2.96Å; S169-N174 WeakPolarHBondContact O-CB 3.47Å
170I85.9Confident85.9Confident89 Ų8968 Ų6846%0.45637%0.372SS..SBendtrans-91.4139.9179.5-60.3164.5000109.9S166 Q167 L173 N174S166-I170 WeakPolarHBondContact O-CG1 3.24Å; Q167-I170 PolarHBondContact O-N 2.99Å; I170-L173 PolarHBondContact O-N 3.17Å; I170-N174 PolarHBondContact O-N 2.93Å; I170-N174 VanDerWaalsContact O-N 3.09Å
171P84.9Confident85.5Confident86 Ų8666.5 Ų66.556%0.55836%0.36SS*.THydrogen-bonded Turntrans-62.1146.7171.4-2233000113.1N174P171-N174 VanDerWaalsContact CA-OD1 3.32Å; P171-N174 WeakPolarHBondContact CA-OD1 3.46Å
172P85Confident85.2Confident87 Ų8770.2 Ų70.257%0.56538%0.378SS*.THydrogen-bonded Turncis-83.6-3.8-0.834.3-36.1000113.9N174 Q175P172-N174 VanDerWaalsContact C-N 3.29Å; P172-N174 PolarHBondContact O-N 3.38Å; P172-Q175 WeakPolarHBondContact O-CB 3.4Å; P172-Q175 PolarHBondContact O-N 3.16Å; P172-Q175 VanDerWaalsContact O-N 3.15Å
173L85.9Confident84.8Confident48 Ų4871.9 Ų71.925%0.25139%0.386SS..Hα-helixtrans-66.2-29.5-170.9-56.6-174.7000113.3L168 I170 Q175 I176 R177 I208L168-L173 HydrophobicContact CD2-CB 4.24Å; L168-L173 HydrophobicContact CD2-CD1 4.48Å; I170-L173 PolarHBondContact O-N 3.17Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.37Å; L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 PolarHBondContact O-N 3.36Å; L173-R177 PolarHBondContact O-N 3.27Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.41Å; L173-I208 HydrophobicContact CD2-CG2 4.32Å
174N85.3Confident83.9Confident40 Ų4074.1 Ų74.121%0.21439%0.387CS..Hα-helixtrans-59.3-37.6173.668-14.5000113.1L168 S169 I170 P171 P172 I176 R177 D178L168-N174 VanDerWaalsContact O-CA 3.26Å; L168-N174 WeakPolarHBondContact O-CA 3.41Å; L168-N174 PolarHBondContact O-N 3.48Å; S169-N174 WeakPolarHBondContact O-CB 3.47Å; I170-N174 PolarHBondContact O-N 2.93Å; I170-N174 VanDerWaalsContact O-N 3.09Å; P171-N174 VanDerWaalsContact CA-OD1 3.32Å; P171-N174 WeakPolarHBondContact CA-OD1 3.46Å; P172-N174 VanDerWaalsContact C-N 3.29Å; P172-N174 PolarHBondContact O-N 3.38Å; N174-I176 PolarHBondContact O-N 3.07Å; N174-R177 WeakPolarHBondContact O-CB 3.19Å; N174-R177 PolarHBondContact O-N 2.99Å; N174-D178 WeakPolarHBondContact O-CB 3.48Å; N174-D178 VanDerWaalsContact O-CG 3.24Å; N174-D178 PolarHBondContact O-N 2.83Å
175Q84.8Confident82.6Confident123 Ų12376.6 Ų76.658%0.57541%0.407SS*.Hα-helixtrans-64.2-42.8177-57.5178.415.900111P172 L173 R177 D178 I179P172-Q175 WeakPolarHBondContact O-CB 3.4Å; P172-Q175 PolarHBondContact O-N 3.16Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.37Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.39Å; Q175-D178 PolarHBondContact O-N 3.38Å; Q175-I179 WeakPolarHBondContact O-CB 3.46Å; Q175-I179 WeakPolarHBondContact O-CD1 3.28Å; Q175-I179 WeakPolarHBondContact O-CG1 3.49Å; Q175-I179 PolarHBondContact O-N 3.41Å
176I83.9Confident81.1Confident67 Ų6779.4 Ų79.434%0.34443%0.427SS..Hα-helixtrans-63-43176.6-54.8175.5000110.3L173 N174 Y180 V204 I208L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 PolarHBondContact O-N 3.36Å; N174-I176 PolarHBondContact O-N 3.07Å; I176-Y180 VanDerWaalsContact O-CB 3.3Å; I176-Y180 WeakPolarHBondContact O-CB 3.3Å; I176-Y180 PolarHBondContact O-N 3.43Å; I176-V204 HydrophobicContact CG2-CG1 4.31Å; I176-I208 HydrophobicContact CD1-CG1 4.01Å; I176-I208 HydrophobicContact CG2-CG1 4.2Å
177R84Confident79.3Confident38 Ų3882.6 Ų82.614%0.14345%0.448CS..Hα-helixtrans-60.9-46.6175.5-177.8-166.7-178.9148.86.5111.6D165 L173 N174 Q175 Y180 L181 N201 V204D165-R177 PolarHBondContact O-NH1 2.74Å; D165-R177 IonicContact OD1-CZ 3.31Å; D165-R177 IonicContact OD1-NH1 3.01Å; D165-R177 PolarHBondContact OD1-NH1 3.34Å; D165-R177 IonicContact OD1-NH2 2.68Å; D165-R177 PolarHBondContact OD1-NH2 3.15Å; L173-R177 PolarHBondContact O-N 3.27Å; N174-R177 WeakPolarHBondContact O-CB 3.19Å; N174-R177 PolarHBondContact O-N 2.99Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.39Å; R177-Y180 PolarHBondContact O-N 3.2Å; R177-L181 HydrophobicContact CG-CD1 4.12Å; R177-L181 WeakPolarHBondContact O-CB 3.39Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.02Å; R177-N201 PolarHBondContact NH2-OD1 2.73Å; R177-V204 HydrophobicContact CB-CG1 4.28Å
178D81.9Confident77.4Confident76 Ų7680.2 Ų80.241%0.40646%0.455SS..Hα-helixtrans-68.6-43.4-177.4-72.4-16.6000111.3N174 Q175 Y180 L181 Q182N174-D178 WeakPolarHBondContact O-CB 3.48Å; N174-D178 VanDerWaalsContact O-CG 3.24Å; N174-D178 PolarHBondContact O-N 2.83Å; Q175-D178 PolarHBondContact O-N 3.38Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3Å; D178-L181 PolarHBondContact O-N 3.42Å; D178-Q182 WeakPolarHBondContact O-CB 3.05Å; D178-Q182 WeakPolarHBondContact O-CG 3.5Å; D178-Q182 PolarHBondContact O-N 3.4Å
179I83.2Confident75.4Confident99 Ų9987.3 Ų87.351%0.50849%0.493SS..Hα-helixtrans-58.7-43.9172.2-68.7163.7000110.6Q175 L181 Q182 T183Q175-I179 WeakPolarHBondContact O-CB 3.46Å; Q175-I179 WeakPolarHBondContact O-CD1 3.28Å; Q175-I179 WeakPolarHBondContact O-CG1 3.49Å; Q175-I179 PolarHBondContact O-N 3.41Å; I179-L181 PolarHBondContact O-N 3.49Å; I179-Q182 PolarHBondContact O-N 3.42Å; I179-T183 VanDerWaalsContact O-CB 3.31Å; I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.23Å; I179-T183 PolarHBondContact O-OG1 3.38Å
180Y83.3Confident73.3Confident42 Ų4288.6 Ų88.617%0.16550%0.502CS..Hα-helixtrans-65.4-37.9178-174.6-88000112.7I176 R177 D178 R184 T200 S203 V204I176-Y180 VanDerWaalsContact O-CB 3.3Å; I176-Y180 WeakPolarHBondContact O-CB 3.3Å; I176-Y180 PolarHBondContact O-N 3.43Å; R177-Y180 PolarHBondContact O-N 3.2Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3Å; Y180-R184 HydrophobicContact CE1-CG 4.49Å; Y180-R184 VanDerWaalsContact CE1-NE 3.3Å; Y180-R184 PolarHBondContact O-N 3.32Å; Y180-R184 PolarHBondContact OH-NE 2.93Å; Y180-R184 PolarHBondContact OH-NH2 3.47Å; Y180-T200 HydrophobicContact CD1-CG2 3.75Å; Y180-T200 HydrophobicContact CE1-CG2 3.86Å; Y180-S203 VanDerWaalsContact CZ-OG 3.3Å; Y180-S203 WeakPolarHBondContact OH-CB 3.22Å; Y180-S203 PolarHBondContact OH-OG 3.04Å; Y180-V204 HydrophobicContact CD1-CG2 3.61Å; Y180-V204 HydrophobicContact CD2-CG2 4.34Å; Y180-V204 HydrophobicContact CE1-CG2 4.3Å; Y180-V204 HydrophobicContact CG-CG2 3.65Å
181L81.1Confident71.2Confident43 Ų4391.9 Ų91.923%0.22552%0.52CS..Hα-helixtrans-66.7-48.4174.1-78.6169.9000111.5R177 D178 I179 T183 R184 S185 T196 T200R177-L181 HydrophobicContact CG-CD1 4.12Å; R177-L181 WeakPolarHBondContact O-CB 3.39Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.02Å; D178-L181 PolarHBondContact O-N 3.42Å; I179-L181 PolarHBondContact O-N 3.49Å; L181-T183 PolarHBondContact O-N 3.31Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 PolarHBondContact O-N 2.92Å; L181-R184 VanDerWaalsContact O-N 3.16Å; L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 2.89Å; L181-T196 HydrophobicContact CD2-CG2 3.98Å; L181-T200 HydrophobicContact CD2-CG2 3.69Å; L181-T200 HydrophobicContact CG-CG2 4.16Å
182Q80.3Confident69.2Low118 Ų11891 Ų9155%0.55152%0.516SS*.Hα-helixtrans-57.7-49.2177.4-72.5168.120.800111.4D178 I179 R184 S185 T186D178-Q182 WeakPolarHBondContact O-CB 3.05Å; D178-Q182 WeakPolarHBondContact O-CG 3.5Å; D178-Q182 PolarHBondContact O-N 3.4Å; I179-Q182 PolarHBondContact O-N 3.42Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-R184 VanDerWaalsContact O-N 3.14Å; Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 3.02Å; Q182-T186 PolarHBondContact O-N 3.27Å; Q182-T186 PolarHBondContact O-OG1 3.01Å; Q182-T186 VanDerWaalsContact O-OG1 3.14Å
183T77.4Confident67.4Low106 Ų10693.4 Ų93.465%0.6553%0.529SS*.Hα-helixtrans-59.2-28.1179.2-54.90000112.5I179 L181I179-T183 VanDerWaalsContact O-CB 3.31Å; I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.23Å; I179-T183 PolarHBondContact O-OG1 3.38Å; L181-T183 PolarHBondContact O-N 3.31Å
184R70.8Confident65.4Low153 Ų15395.8 Ų95.858%0.57756%0.556SS**Hα-helixtrans-89.8-25.6174.7-77.4-175.3169.3-86.8-2.7114.3Y180 L181 Q182 T186Y180-R184 HydrophobicContact CE1-CG 4.49Å; Y180-R184 VanDerWaalsContact CE1-NE 3.3Å; Y180-R184 PolarHBondContact O-N 3.32Å; Y180-R184 PolarHBondContact OH-NE 2.93Å; Y180-R184 PolarHBondContact OH-NH2 3.47Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 PolarHBondContact O-N 2.92Å; L181-R184 VanDerWaalsContact O-N 3.16Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-R184 VanDerWaalsContact O-N 3.14Å; R184-T186 VanDerWaalsContact C-N 3.32Å
185S61.2Low63.6Low89 Ų89103.3 Ų103.362%0.62258%0.581SS**Hα-helixtrans-82-6.6-176.766.40000114.4L181 Q182 C187L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 2.89Å; Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 3.02Å; S185-C187 PolarHBondContact O-N 3.12Å
186T57.2Low62.1Low124 Ų124100.6 Ų100.676%0.76157%0.574SS**THydrogen-bonded Turntrans-62.3-5.9179.1-34.60000114.1Q182 R184Q182-T186 PolarHBondContact O-N 3.27Å; Q182-T186 PolarHBondContact O-OG1 3.01Å; Q182-T186 VanDerWaalsContact O-OG1 3.14Å; R184-T186 VanDerWaalsContact C-N 3.32Å
187C48.1Very low61.4Low119 Ų119100.4 Ų100.480%0.80458%0.575SS**SBendtrans-13192.8178.3-160.80000112.5S185S185-C187 PolarHBondContact O-N 3.12Å
188G48Very low61.1Low66 Ų66102.7 Ų102.768%0.6859%0.587SS**SBendtrans92.7112155.900000117.9
189N45.6Very low61.1Low153 Ų153106.6 Ų106.682%0.81860%0.6SS**  trans51.7102.9148.2-62.114.8000119.5
190S40.6Very low61.1Low95 Ų95102.7 Ų102.766%0.66458%0.581SS**SBend20.2133.1127.655.90000120.2
191N43.2Very low61.2Low158 Ų158101 Ų10185%0.84557%0.574SS**  trans98.944.8159.5-48.8-20.1000118.5
192S42Very low61.4Low66 Ų66103.9 Ų103.946%0.46259%0.589SS.*  trans-140.748.7170.1-167.60000114.3A194 R195 T196S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.27Å; S192-R195 PolarHBondContact O-N 3.18Å; S192-R195 WeakPolarHBondContact OG-CB 3.15Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.08Å; S192-T196 PolarHBondContact O-OG1 3.16Å
193T47.5Very low61.7Low138 Ų13899.9 Ų99.985%0.84758%0.575SS**THydrogen-bonded Turntrans-66.2-23.7-176.545.70000115.3T196T193-T196 PolarHBondContact O-OG1 3.46Å
194A43.3Very low62.1Low99 Ų9994.9 Ų94.982%0.81854%0.544SS*.THydrogen-bonded Turntrans-102.6-8.1177.200000113.8S192S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.27Å
195R47.6Very low63.1Low197 Ų19789.8 Ų89.874%0.74353%0.53SS*.THydrogen-bonded Turntrans-115.68.6178.8-105.9-175.8-178.3175.91.9113.2S192 T197S192-R195 PolarHBondContact O-N 3.18Å; S192-R195 WeakPolarHBondContact OG-CB 3.15Å; R195-T197 VanDerWaalsContact C-N 3.26Å; R195-T197 HydrophobicContact CB-CG2 4.47Å; R195-T197 HydrophobicContact CG-CG2 4.2Å; R195-T197 WeakPolarHBondContact O-CA 3.31Å; R195-T197 WeakPolarHBondContact O-CB 3.24Å; R195-T197 VanDerWaalsContact O-CG2 3.25Å; R195-T197 WeakPolarHBondContact O-CG2 3.37Å; R195-T197 PolarHBondContact O-N 3.18Å; R195-T197 PolarHBondContact O-OG1 3.13Å
196T53.9Low64.3Low67 Ų6791 Ų9141%0.41153%0.525SS..SBendtrans-63.491.3151.132.20000107.8L181 S192 T193L181-T196 HydrophobicContact CD2-CG2 3.98Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.08Å; S192-T196 PolarHBondContact O-OG1 3.16Å; T193-T196 PolarHBondContact O-OG1 3.46Å
197T69.6Low65.6Low62 Ų6287 Ų8738%0.3850%0.501SS..  trans-97.4174.7-134.72.60000113.8R195 K199 T200 N201R195-T197 VanDerWaalsContact C-N 3.26Å; R195-T197 HydrophobicContact CB-CG2 4.47Å; R195-T197 HydrophobicContact CG-CG2 4.2Å; R195-T197 WeakPolarHBondContact O-CA 3.31Å; R195-T197 WeakPolarHBondContact O-CB 3.24Å; R195-T197 VanDerWaalsContact O-CG2 3.25Å; R195-T197 WeakPolarHBondContact O-CG2 3.37Å; R195-T197 PolarHBondContact O-N 3.18Å; R195-T197 PolarHBondContact O-OG1 3.13Å; T197-K199 CarbonylContact O-C 3.6Å; T197-K199 PolarHBondContact O-N 3Å; T197-T200 PolarHBondContact N-OG1 2.68Å; T197-T200 WeakPolarHBondContact O-CA 3.33Å; T197-T200 VanDerWaalsContact O-CB 3.31Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 2.99Å; T197-N201 PolarHBondContact O-N 2.94Å
198K78.1Confident67.5Low87 Ų8783.1 Ų83.138%0.37847%0.472SS..Hα-helixtrans-32.1-40.3156.4-67.1-177.5165.7-173.80114.2E157 F161 N201 L202E157-K198 IonicContact OE1-NZ 3.8Å; E157-K198 PolarHBondContact OE1-NZ 3.22Å; F161-K198 HydrophobicContact CB-CG 4.31Å; F161-K198 HydrophobicContact CD1-CB 3.89Å; F161-K198 HydrophobicContact CD1-CD 4.47Å; F161-K198 HydrophobicContact CD1-CG 3.8Å; F161-K198 HydrophobicContact CD2-CB 4.3Å; F161-K198 HydrophobicContact CD2-CD 3.47Å; F161-K198 VanDerWaalsContact CD2-CD 3.47Å; F161-K198 HydrophobicContact CD2-CG 3.72Å; F161-K198 HydrophobicContact CE1-CB 3.62Å; F161-K198 HydrophobicContact CE1-CG 4.01Å; F161-K198 WeakPolarHBondContact CE1-O 3.48Å; F161-K198 HydrophobicContact CE2-CB 4.06Å; F161-K198 HydrophobicContact CE2-CD 3.6Å; F161-K198 HydrophobicContact CE2-CG 3.94Å; F161-K198 HydrophobicContact CG-CB 4.24Å; F161-K198 HydrophobicContact CG-CD 3.96Å; F161-K198 HydrophobicContact CG-CG 3.66Å; F161-K198 HydrophobicContact CZ-CB 3.72Å; F161-K198 HydrophobicContact CZ-CD 4.17Å; F161-K198 HydrophobicContact CZ-CG 4.08Å; K198-N201 PolarHBondContact O-N 3.11Å; K198-L202 VanDerWaalsContact O-CB 3.25Å; K198-L202 WeakPolarHBondContact O-CB 3.44Å; K198-L202 PolarHBondContact O-N 3.28Å
199K81.3Confident69.4Low157 Ų15783.5 Ų83.568%0.68346%0.461SS*.Hα-helixtrans-64.7-39.8175.5-175.2177.1-179.1178.80114.3T197 S203T197-K199 CarbonylContact O-C 3.6Å; T197-K199 PolarHBondContact O-N 3Å; K199-S203 WeakPolarHBondContact O-CB 3.38Å; K199-S203 PolarHBondContact O-N 3.08Å
200T82.9Confident71.2Confident18 Ų1881.7 Ų81.711%0.1144%0.442CS..Hα-helixtrans-63.1-54.1172.5-56.90000109.4Y180 L181 T197 L202 S203 V204Y180-T200 HydrophobicContact CD1-CG2 3.75Å; Y180-T200 HydrophobicContact CE1-CG2 3.86Å; L181-T200 HydrophobicContact CD2-CG2 3.69Å; L181-T200 HydrophobicContact CG-CG2 4.16Å; T197-T200 PolarHBondContact N-OG1 2.68Å; T197-T200 WeakPolarHBondContact O-CA 3.33Å; T197-T200 VanDerWaalsContact O-CB 3.31Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 2.99Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.75Å; T200-S203 CarbonylContact O-C 3.52Å; T200-S203 PolarHBondContact O-N 3.1Å; T200-V204 HydrophobicContact CG2-CG2 4.36Å; T200-V204 WeakPolarHBondContact O-CG2 3.32Å; T200-V204 PolarHBondContact O-N 2.72Å
201N85.1Confident73.2Confident6 Ų683.4 Ų83.43%0.03244%0.438CS..Hα-helixtrans-57.5-46.5-179.6-71.116.6000111.4I164 D165 L168 R177 T197 K198 S203 V204 V205I164-N201 HydrophobicContact CG2-CB 3.92Å; D165-N201 PolarHBondContact OD1-ND2 3.14Å; L168-N201 HydrophobicContact CD1-CB 3.82Å; R177-N201 PolarHBondContact NH2-OD1 2.73Å; T197-N201 PolarHBondContact O-N 2.94Å; K198-N201 PolarHBondContact O-N 3.11Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.01Å; N201-V204 PolarHBondContact O-N 3.41Å; N201-V205 WeakPolarHBondContact O-CG2 3.14Å; N201-V205 PolarHBondContact O-N 2.99Å
202L86.7Confident75.2Confident103 Ų10380.6 Ų80.654%0.53942%0.416SS..Hα-helixtrans-60.8-38.1175.4-173.766.6000112.6K198 T200 H206K198-L202 VanDerWaalsContact O-CB 3.25Å; K198-L202 WeakPolarHBondContact O-CB 3.44Å; K198-L202 PolarHBondContact O-N 3.28Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.75Å; L202-H206 VanDerWaalsContact O-CB 3.25Å; L202-H206 WeakPolarHBondContact O-CB 3.39Å; L202-H206 PolarHBondContact O-N 3.48Å
203S85.2Confident77.1Confident35 Ų3581.4 Ų81.425%0.24541%0.414CS..Hα-helixtrans-72.8-32.7177-169.30000113.1Y180 K199 T200 N201 T207Y180-S203 VanDerWaalsContact CZ-OG 3.3Å; Y180-S203 WeakPolarHBondContact OH-CB 3.22Å; Y180-S203 PolarHBondContact OH-OG 3.04Å; K199-S203 WeakPolarHBondContact O-CB 3.38Å; K199-S203 PolarHBondContact O-N 3.08Å; T200-S203 CarbonylContact O-C 3.52Å; T200-S203 PolarHBondContact O-N 3.1Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.01Å; S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 3.32Å; S203-T207 PolarHBondContact O-OG1 3.24Å
204V87.3Confident78.6Confident0 Ų076.5 Ų76.50%038%0.381CS..Hα-helixtrans-69.1-48.6174172.50000109.2L168 I176 R177 Y180 T200 N201 H206 T207 I208L168-V204 HydrophobicContact CD1-CB 4.18Å; L168-V204 HydrophobicContact CD1-CG1 4.08Å; L168-V204 HydrophobicContact CD2-CG1 3.74Å; I176-V204 HydrophobicContact CG2-CG1 4.31Å; R177-V204 HydrophobicContact CB-CG1 4.28Å; Y180-V204 HydrophobicContact CD1-CG2 3.61Å; Y180-V204 HydrophobicContact CD2-CG2 4.34Å; Y180-V204 HydrophobicContact CE1-CG2 4.3Å; Y180-V204 HydrophobicContact CG-CG2 3.65Å; T200-V204 HydrophobicContact CG2-CG2 4.36Å; T200-V204 WeakPolarHBondContact O-CG2 3.32Å; T200-V204 PolarHBondContact O-N 2.72Å; N201-V204 PolarHBondContact O-N 3.41Å; V204-H206 PolarHBondContact O-N 2.92Å; V204-T207 WeakPolarHBondContact O-CB 3.38Å; V204-T207 PolarHBondContact O-N 2.86Å; V204-T207 VanDerWaalsContact O-N 3.1Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.15Å
205V90.2Very high80.5Confident46 Ų4676 Ų7628%0.27936%0.362SS..Hα-helixtrans-55.4-49.9172.6170.80000111.4I164 L168 N201 T207 I208 V209I164-V205 HydrophobicContact CG2-CG2 3.67Å; L168-V205 HydrophobicContact CD1-CG2 4.17Å; L168-V205 HydrophobicContact CD2-CG2 4.29Å; L168-V205 HydrophobicContact CG-CG2 4.41Å; N201-V205 WeakPolarHBondContact O-CG2 3.14Å; N201-V205 PolarHBondContact O-N 2.99Å; V205-T207 PolarHBondContact O-N 3.08Å; V205-I208 PolarHBondContact O-N 3.4Å; V205-V209 HydrophobicContact CG1-CG2 4.17Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.21Å
206H86.8Confident82.2Confident115 Ų11571.9 Ų71.953%0.53235%0.347SS..Hα-helixtrans-58.2-37.7177.6176.8-81.4000112.3L202 V204 R210L202-H206 VanDerWaalsContact O-CB 3.25Å; L202-H206 WeakPolarHBondContact O-CB 3.39Å; L202-H206 PolarHBondContact O-N 3.48Å; V204-H206 PolarHBondContact O-N 2.92Å; H206-R210 VanDerWaalsContact O-CB 3.3Å; H206-R210 WeakPolarHBondContact O-CB 3.45Å; H206-R210 PolarHBondContact O-N 2.71Å
207T84.9Confident83.5Confident41 Ų4171.6 Ų71.625%0.25234%0.343SS..Hα-helixtrans-68-47.8176.8-58.40000111S203 V204 V205 R210 F211S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 3.32Å; S203-T207 PolarHBondContact O-OG1 3.24Å; V204-T207 WeakPolarHBondContact O-CB 3.38Å; V204-T207 PolarHBondContact O-N 2.86Å; V204-T207 VanDerWaalsContact O-N 3.1Å; V205-T207 PolarHBondContact O-N 3.08Å; T207-R210 PolarHBondContact O-N 3.24Å; T207-F211 HydrophobicContact CG2-CD2 3.73Å; T207-F211 HydrophobicContact CG2-CE2 3.54Å; T207-F211 WeakPolarHBondContact O-CD2 3.26Å; T207-F211 PolarHBondContact O-N 3.48Å
208I87Confident83.9Confident37 Ų3772 Ų7219%0.1934%0.342CS..Hα-helixtrans-57.9-49.7176-66.6157.7000110.8L168 L173 I176 V204 V205 R210 F211 R212L168-I208 HydrophobicContact CD2-CD1 3.62Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.41Å; L173-I208 HydrophobicContact CD2-CG2 4.32Å; I176-I208 HydrophobicContact CD1-CG1 4.01Å; I176-I208 HydrophobicContact CG2-CG1 4.2Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.15Å; V205-I208 PolarHBondContact O-N 3.4Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 3.3Å; I208-F211 PolarHBondContact O-N 3.07Å; I208-F211 VanDerWaalsContact O-N 3.17Å; I208-R212 PolarHBondContact O-N 3.32Å
209V88.6Confident84.3Confident73 Ų7371.9 Ų71.944%0.44234%0.342SS..Hα-helixtrans-60.1-43.8178.1170.90000110.9V205 F211 R212 I213V205-V209 HydrophobicContact CG1-CG2 4.17Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.21Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.26Å; V209-R212 PolarHBondContact O-N 3.48Å; V209-I213 HydrophobicContact CG1-CD1 3.72Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.47Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.43Å; V209-I213 PolarHBondContact O-N 2.63Å
210R83.4Confident84.5Confident115 Ų11567.6 Ų67.643%0.43433%0.327SS..Hα-helixtrans-62.8-38.7176.3-173.6177.5-179.1-173.1-1.3112.3H206 T207 I208 K214 F265H206-R210 VanDerWaalsContact O-CB 3.3Å; H206-R210 WeakPolarHBondContact O-CB 3.45Å; H206-R210 PolarHBondContact O-N 2.71Å; T207-R210 PolarHBondContact O-N 3.24Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 3.3Å; R210-K214 WeakPolarHBondContact O-CG 3.21Å; R210-K214 PolarHBondContact O-N 3.29Å; R210-F265 HydrophobicContact CG-CE2 4.35Å
211F82.8Confident84.5Confident131 Ų13168.5 Ų68.558%0.57533%0.328SS*.Hα-helixtrans-67.3-45.9174.4-82.9-66.1000111.9T207 I208 V209 I213 K214 E215T207-F211 HydrophobicContact CG2-CD2 3.73Å; T207-F211 HydrophobicContact CG2-CE2 3.54Å; T207-F211 WeakPolarHBondContact O-CD2 3.26Å; T207-F211 PolarHBondContact O-N 3.48Å; I208-F211 PolarHBondContact O-N 3.07Å; I208-F211 VanDerWaalsContact O-N 3.17Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.26Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.2Å; F211-K214 WeakPolarHBondContact O-CB 3.42Å; F211-K214 PolarHBondContact O-N 2.9Å; F211-K214 VanDerWaalsContact O-N 3.07Å; F211-E215 PolarHBondContact O-N 3.1Å
212R84.8Confident84.5Confident99 Ų9972.3 Ų72.337%0.37435%0.346SS..Hα-helixtrans-64.4-36.5180-171.559.3-177.9166.912.7112.8I208 V209 E215 Y216I208-R212 PolarHBondContact O-N 3.32Å; V209-R212 PolarHBondContact O-N 3.48Å; R212-E215 WeakPolarHBondContact CD-OE2 3.41Å; R212-E215 IonicContact CZ-OE2 3.41Å; R212-E215 IonicContact NE-OE2 3.16Å; R212-E215 IonicContact NH1-OE1 2.65Å; R212-E215 PolarHBondContact NH1-OE1 2.71Å; R212-E215 IonicContact NH1-OE2 3.21Å; R212-E215 PolarHBondContact NH1-OE2 2.75Å; R212-E215 PolarHBondContact O-N 3Å; R212-Y216 WeakPolarHBondContact O-CB 3.36Å; R212-Y216 PolarHBondContact O-N 2.93Å
213I81.3Confident84.6Confident84 Ų8471.5 Ų71.543%0.43134%0.339SS..Hα-helixtrans-64.3-40.6172.2-68.5167.2000111V209 F211 L217 F265V209-I213 HydrophobicContact CG1-CD1 3.72Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.47Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.43Å; V209-I213 PolarHBondContact O-N 2.63Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.2Å; I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CD1 3.48Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.42Å; I213-L217 PolarHBondContact O-N 3.14Å; I213-L217 VanDerWaalsContact O-N 3.08Å; I213-F265 HydrophobicContact CG2-CZ 4.02Å
214K80Confident84.7Confident34 Ų3473.6 Ų73.615%0.14835%0.346CS..Hα-helixtrans-64.1-46.2176-77.9-178.6166-168.60112.2R210 F211 L217 I218 F265 D268 L269R210-K214 WeakPolarHBondContact O-CG 3.21Å; R210-K214 PolarHBondContact O-N 3.29Å; F211-K214 WeakPolarHBondContact O-CB 3.42Å; F211-K214 PolarHBondContact O-N 2.9Å; F211-K214 VanDerWaalsContact O-N 3.07Å; K214-L217 PolarHBondContact O-N 3.4Å; K214-I218 WeakPolarHBondContact O-CG1 3.42Å; K214-I218 PolarHBondContact O-N 3.09Å; K214-F265 HydrophobicContact CG-CE1 3.93Å; K214-F265 HydrophobicContact CG-CE2 4.23Å; K214-F265 HydrophobicContact CG-CZ 3.54Å; K214-D268 VanDerWaalsContact NZ-CB 3.31Å; K214-D268 VanDerWaalsContact NZ-CG 3.3Å; K214-D268 IonicContact NZ-OD2 3.84Å; K214-D268 PolarHBondContact NZ-OD2 3.37Å; K214-L269 HydrophobicContact CB-CD2 3.93Å; K214-L269 HydrophobicContact CG-CD2 4.01Å; K214-L269 WeakPolarHBondContact O-CD2 3.22Å
215E82.4Confident84.7Confident90 Ų9074.6 Ų74.642%0.42135%0.351SS..Hα-helixtrans-57.1-51.7177.1-174.2-179.7-157.800111.1F211 R212 L217 I218 E219F211-E215 PolarHBondContact O-N 3.1Å; R212-E215 WeakPolarHBondContact CD-OE2 3.41Å; R212-E215 IonicContact CZ-OE2 3.41Å; R212-E215 IonicContact NE-OE2 3.16Å; R212-E215 IonicContact NH1-OE1 2.65Å; R212-E215 PolarHBondContact NH1-OE1 2.71Å; R212-E215 IonicContact NH1-OE2 3.21Å; R212-E215 PolarHBondContact NH1-OE2 2.75Å; R212-E215 PolarHBondContact O-N 3Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.35Å; E215-I218 WeakPolarHBondContact O-CB 3.27Å; E215-I218 PolarHBondContact O-N 3.35Å; E215-E219 PolarHBondContact O-N 3.12Å
216Y83.3Confident84.7Confident110 Ų11078.9 Ų78.943%0.43136%0.362SS..Hα-helixtrans-57.1-38.6175.8179.6-101.8000113.2R212 E219 L220R212-Y216 WeakPolarHBondContact O-CB 3.36Å; R212-Y216 PolarHBondContact O-N 2.93Å; Y216-E219 PolarHBondContact O-N 2.94Å; Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 VanDerWaalsContact O-CB 3.24Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 PolarHBondContact O-N 2.83Å
217L81.8Confident84.9Confident61 Ų6176.2 Ų76.232%0.31935%0.354SS..Hα-helixtrans-73.1-25.9177.5-71.9167.2000113.1I213 K214 E215 L220 R221 F265 L269I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CD1 3.48Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.42Å; I213-L217 PolarHBondContact O-N 3.14Å; I213-L217 VanDerWaalsContact O-N 3.08Å; K214-L217 PolarHBondContact O-N 3.4Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.35Å; L217-L220 HydrophobicContact CD2-CD2 4.41Å; L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 PolarHBondContact O-N 3.42Å; L217-F265 HydrophobicContact CD1-CE1 3.65Å; L217-F265 HydrophobicContact CD1-CZ 4.36Å; L217-L269 HydrophobicContact CB-CD1 4.02Å; L217-L269 HydrophobicContact CB-CD2 4.21Å; L217-L269 HydrophobicContact CD1-CD1 4.22Å
218I79.1Confident85.3Confident70 Ų7075 Ų7536%0.35935%0.346SS..Hα-helixtrans-71.5-50.2169.7-66.8162.8000109.5K214 E215 L220 R221 E222 L269K214-I218 WeakPolarHBondContact O-CG1 3.42Å; K214-I218 PolarHBondContact O-N 3.09Å; E215-I218 WeakPolarHBondContact O-CB 3.27Å; E215-I218 PolarHBondContact O-N 3.35Å; I218-L220 PolarHBondContact O-N 3.27Å; I218-R221 WeakPolarHBondContact O-CB 3.49Å; I218-R221 PolarHBondContact O-N 3.16Å; I218-R221 VanDerWaalsContact O-N 3.12Å; I218-E222 WeakPolarHBondContact O-CG 3.22Å; I218-E222 PolarHBondContact O-N 2.84Å; I218-L269 HydrophobicContact CD1-CD2 4.33Å; I218-L269 HydrophobicContact CG1-CD2 3.94Å
219E84.5Confident85.5Confident84 Ų8474.9 Ų74.939%0.39335%0.346SS..Hα-helixtrans-55.7-48177.2-69.6174.816500111.9E215 Y216 R221 E222 H223E215-E219 PolarHBondContact O-N 3.12Å; Y216-E219 PolarHBondContact O-N 2.94Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.4Å; E219-E222 PolarHBondContact O-N 3.44Å; E219-H223 WeakPolarHBondContact O-CB 3.3Å; E219-H223 PolarHBondContact O-N 3.42Å
220L86.3Confident85.6Confident68 Ų6875.4 Ų75.436%0.35635%0.349SS..Hα-helixtrans-60.5-41.1176.9179.462.6000111.8Y216 L217 I218 H223 I224Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 VanDerWaalsContact O-CB 3.24Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 PolarHBondContact O-N 2.83Å; L217-L220 HydrophobicContact CD2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 3.27Å; L220-H223 PolarHBondContact O-N 3.2Å; L220-I224 HydrophobicContact CD1-CD1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.18Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.26Å; L220-I224 PolarHBondContact O-N 2.98Å
221R82.9Confident86Confident36 Ų3672.3 Ų72.314%0.13634%0.341CS..Hα-helixtrans-66.9-44.5178.2-179.7175.2-175.8-92.5-6112L217 I218 E219 H223 I224 H225 E274L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 PolarHBondContact O-N 3.42Å; I218-R221 WeakPolarHBondContact O-CB 3.49Å; I218-R221 PolarHBondContact O-N 3.16Å; I218-R221 VanDerWaalsContact O-N 3.12Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.4Å; R221-H223 VanDerWaalsContact C-N 3.3Å; R221-H223 PolarHBondContact O-N 2.88Å; R221-I224 PolarHBondContact O-N 2.89Å; R221-H225 PolarHBondContact NH2-CE1 3.15Å; R221-H225 WeakPolarHBondContact O-CB 3.46Å; R221-H225 PolarHBondContact O-CD2 2.98Å; R221-H225 PolarHBondContact O-N 3.32Å; R221-E274 IonicContact CZ-OE1 2.82Å; R221-E274 IonicContact CZ-OE2 3.25Å; R221-E274 IonicContact NH1-OE1 3.67Å; R221-E274 PolarHBondContact NH1-OE1 2.84Å; R221-E274 IonicContact NH1-OE2 3.14Å; R221-E274 PolarHBondContact NH1-OE2 2.66Å; R221-E274 IonicContact NH2-OE1 2.77Å; R221-E274 PolarHBondContact NH2-OE1 2.89Å; R221-E274 IonicContact NH2-OE2 2.66Å; R221-E274 PolarHBondContact NH2-OE2 3.13Å
222E86.3Confident86.5Confident86 Ų8666.1 Ų66.140%0.40231%0.314SS..Hα-helixtrans-62.9-37.6173.9-68.3-174.1173.700111.9I218 E219 H225 R226I218-E222 WeakPolarHBondContact O-CG 3.22Å; I218-E222 PolarHBondContact O-N 2.84Å; E219-E222 PolarHBondContact O-N 3.44Å; E222-H225 PolarHBondContact O-N 3.17Å; E222-R226 VanDerWaalsContact CB-NH1 3.32Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE2-CZ 3.43Å; E222-R226 IonicContact OE2-NH1 3.34Å; E222-R226 PolarHBondContact OE2-NH1 3.16Å; E222-R226 IonicContact OE2-NH2 2.69Å; E222-R226 PolarHBondContact OE2-NH2 2.9Å
223H87.1Confident86.8Confident86 Ų8667.1 Ų67.140%0.39832%0.323SS..Hα-helixtrans-62.3-48.1174.217877.8000111.6E219 L220 R221 H225 R226 T227E219-H223 WeakPolarHBondContact O-CB 3.3Å; E219-H223 PolarHBondContact O-N 3.42Å; L220-H223 PolarHBondContact O-N 3.2Å; R221-H223 VanDerWaalsContact C-N 3.3Å; R221-H223 PolarHBondContact O-N 2.88Å; H223-H225 VanDerWaalsContact C-N 3.28Å; H223-H225 PolarHBondContact O-N 2.94Å; H223-R226 PolarHBondContact O-N 3.36Å; H223-T227 WeakPolarHBondContact O-CB 3.39Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 PolarHBondContact O-OG1 2.81Å; H223-T227 VanDerWaalsContact O-OG1 3.1Å
224I87.1Confident87.2Confident79 Ų7969.2 Ų69.241%0.40534%0.335SS..Hα-helixtrans-56.5-44.8173.5-69.2163.3000110.5L220 R221 T227 L228L220-I224 HydrophobicContact CD1-CD1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.18Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.26Å; L220-I224 PolarHBondContact O-N 2.98Å; R221-I224 PolarHBondContact O-N 2.89Å; I224-T227 PolarHBondContact O-N 3.5Å; I224-L228 HydrophobicContact CG2-CD1 3.84Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.49Å
225H89.1Confident87.7Confident22 Ų2271.1 Ų71.110%0.10235%0.346CS..Hα-helixtrans-60.8-48.6177.7-77.7-161.9000112.7R221 E222 H223 T227 L228 D229 R244 E274R221-H225 PolarHBondContact NH2-CE1 3.15Å; R221-H225 WeakPolarHBondContact O-CB 3.46Å; R221-H225 PolarHBondContact O-CD2 2.98Å; R221-H225 PolarHBondContact O-N 3.32Å; E222-H225 PolarHBondContact O-N 3.17Å; H223-H225 VanDerWaalsContact C-N 3.28Å; H223-H225 PolarHBondContact O-N 2.94Å; H225-T227 VanDerWaalsContact C-N 3.31Å; H225-T227 PolarHBondContact O-N 3Å; H225-L228 PolarHBondContact O-N 2.71Å; H225-D229 WeakPolarHBondContact O-CB 3.19Å; H225-D229 PolarHBondContact O-N 3.22Å; H225-R244 PolarHBondContact CE1-NH2 2.71Å; H225-R244 VanDerWaalsContact ND1-CZ 3.28Å; H225-R244 PolarHBondContact ND1-NE 3.44Å; H225-R244 PolarHBondContact ND1-NH2 3.02Å; H225-R244 VanDerWaalsContact ND1-NH2 3.14Å; H225-E274 IonicContact CE1-OE1 3.92Å
226R90.2Very high87.9Confident136 Ų13669.4 Ų69.451%0.51334%0.339SS..Hα-helixtrans-59.2-40.9176.3-70.5169.2-172.2116.97.2111.9E222 H223 T230E222-R226 VanDerWaalsContact CB-NH1 3.32Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE2-CZ 3.43Å; E222-R226 IonicContact OE2-NH1 3.34Å; E222-R226 PolarHBondContact OE2-NH1 3.16Å; E222-R226 IonicContact OE2-NH2 2.69Å; E222-R226 PolarHBondContact OE2-NH2 2.9Å; H223-R226 PolarHBondContact O-N 3.36Å; R226-T230 WeakPolarHBondContact O-CB 3.37Å; R226-T230 PolarHBondContact O-N 3.15Å; R226-T230 PolarHBondContact O-OG1 3.44Å
227T91.1Very high88.1Confident59 Ų5972.7 Ų72.736%0.36236%0.359SS..Hα-helixtrans-67.3-41177.6-62.20000111.6H223 I224 H225 L231H223-T227 WeakPolarHBondContact O-CB 3.39Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 PolarHBondContact O-OG1 2.81Å; H223-T227 VanDerWaalsContact O-OG1 3.1Å; I224-T227 PolarHBondContact O-N 3.5Å; H225-T227 VanDerWaalsContact C-N 3.31Å; H225-T227 PolarHBondContact O-N 3Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 PolarHBondContact O-N 3.43Å
228L91.9Very high88.4Confident15 Ų1576.9 Ų76.98%0.07938%0.381CS..Hα-helixtrans-66.6-44.2174-71.8172.2000112.3I224 H225 T230 L231 F232 R244 A248 L252 L254I224-L228 HydrophobicContact CG2-CD1 3.84Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.49Å; H225-L228 PolarHBondContact O-N 2.71Å; L228-T230 VanDerWaalsContact C-N 3.31Å; L228-T230 PolarHBondContact O-N 3.14Å; L228-L231 PolarHBondContact O-N 3.03Å; L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 3.95Å; L228-F232 HydrophobicContact CD2-CE2 4Å; L228-F232 HydrophobicContact CD2-CZ 4Å; L228-F232 HydrophobicContact CG-CE2 4.48Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 WeakPolarHBondContact O-CD2 3.35Å; L228-F232 VanDerWaalsContact O-CG 3.31Å; L228-F232 WeakPolarHBondContact O-CG 3.29Å; L228-F232 PolarHBondContact O-N 3.14Å; L228-R244 HydrophobicContact CB-CG 3.87Å; L228-R244 HydrophobicContact CD1-CG 4.06Å; L228-A248 HydrophobicContact CD1-CB 4.03Å; L228-A248 HydrophobicContact CD2-CB 4.33Å; L228-L252 HydrophobicContact CD2-CD1 3.43Å; L228-L252 VanDerWaalsContact CD2-CD1 3.43Å; L228-L254 HydrophobicContact CD2-CD1 4.37Å
229D91.8Very high89Confident34 Ų3474.3 Ų74.318%0.18237%0.367CS..Hα-helixtrans-59.4-45.2176.3-65.2-16.1000110H225 F232 H233 Y239 R244H225-D229 WeakPolarHBondContact O-CB 3.19Å; H225-D229 PolarHBondContact O-N 3.22Å; D229-F232 PolarHBondContact O-N 3.3Å; D229-H233 WeakPolarHBondContact O-CB 3.35Å; D229-H233 PolarHBondContact O-CD2 2.86Å; D229-H233 PolarHBondContact O-N 3.42Å; D229-Y239 HydrophobicContact CB-CE1 4.28Å; D229-Y239 PolarHBondContact OD1-OH 2.7Å; D229-R244 VanDerWaalsContact OD1-CD 3.27Å; D229-R244 WeakPolarHBondContact OD1-CD 3.44Å; D229-R244 IonicContact OD1-CZ 3.63Å; D229-R244 IonicContact OD1-NE 3.84Å; D229-R244 IonicContact OD1-NH1 2.74Å; D229-R244 PolarHBondContact OD1-NH1 2.88Å; D229-R244 IonicContact OD2-NH1 2.88Å; D229-R244 PolarHBondContact OD2-NH1 2.85Å
230T90.9Very high89.2Confident84 Ų8474.8 Ų74.852%0.51537%0.369SS..Hα-helixtrans-62-44.2175.8-560000111.6R226 L228 N234R226-T230 WeakPolarHBondContact O-CB 3.37Å; R226-T230 PolarHBondContact O-N 3.15Å; R226-T230 PolarHBondContact O-OG1 3.44Å; L228-T230 VanDerWaalsContact C-N 3.31Å; L228-T230 PolarHBondContact O-N 3.14Å; T230-N234 PolarHBondContact O-N 3.4Å; T230-N234 PolarHBondContact O-ND2 2.99Å
231L92Very high89.3Confident51 Ų5173.8 Ų73.827%0.26737%0.371SS..Hα-helixtrans-62.4-46.7177.5-179.566.2000111.3T227 L228 N234 L235 L252 L359T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 3.03Å; L231-N234 PolarHBondContact O-N 2.98Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 3.85Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.32Å; L231-L235 VanDerWaalsContact O-N 3.16Å; L231-L252 HydrophobicContact CD2-CD1 4.15Å; L231-L252 HydrophobicContact CD2-CD2 4.49Å; L231-L359 HydrophobicContact CD1-CD2 4.48Å
232F93.3Very high89.6Confident0 Ų077.2 Ų77.20%039%0.387CS..Hα-helixtrans-76.1-33.3-176.2-60.9-42.2000113.5L228 D229 N234 L235 I236 Y239 R244 L247 A248 I251 L252L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 3.95Å; L228-F232 HydrophobicContact CD2-CE2 4Å; L228-F232 HydrophobicContact CD2-CZ 4Å; L228-F232 HydrophobicContact CG-CE2 4.48Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 WeakPolarHBondContact O-CD2 3.35Å; L228-F232 VanDerWaalsContact O-CG 3.31Å; L228-F232 WeakPolarHBondContact O-CG 3.29Å; L228-F232 PolarHBondContact O-N 3.14Å; D229-F232 PolarHBondContact O-N 3.3Å; F232-N234 PolarHBondContact O-N 3.39Å; F232-L235 PolarHBondContact O-N 3.36Å; F232-L235 VanDerWaalsContact O-N 3.15Å; F232-I236 HydrophobicContact CD1-CD1 4.43Å; F232-I236 PolarHBondContact O-N 2.88Å; F232-Y239 HydrophobicContact CB-CD1 4.13Å; F232-Y239 HydrophobicContact CB-CD2 3.42Å; F232-Y239 VanDerWaalsContact CB-CD2 3.42Å; F232-Y239 HydrophobicContact CB-CE1 4.07Å; F232-Y239 HydrophobicContact CB-CE2 3.34Å; F232-Y239 HydrophobicContact CB-CG 3.82Å; F232-Y239 AromaticContact CD2-CE2 3.74Å; F232-Y239 HydrophobicContact CD2-CE2 3.74Å; F232-Y239 AromaticContact CD2-CZ 3.93Å; F232-Y239 HydrophobicContact CG-CD2 4.33Å; F232-Y239 AromaticContact CG-CE2 3.9Å; F232-Y239 HydrophobicContact CG-CE2 3.9Å; F232-R244 HydrophobicContact CE2-CG 4.3Å; F232-L247 HydrophobicContact CD1-CB 4.36Å; F232-L247 HydrophobicContact CD2-CB 4.19Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.83Å; F232-L247 HydrophobicContact CG-CB 4.46Å; F232-L247 HydrophobicContact CG-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CB 3.77Å; F232-A248 HydrophobicContact CE2-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 4.29Å; F232-I251 HydrophobicContact CD1-CD1 4.27Å; F232-I251 HydrophobicContact CE1-CD1 3.89Å; F232-L252 HydrophobicContact CZ-CD1 4.35Å
233H91.4Very high89.5Confident121 Ų12177.8 Ų77.856%0.5639%0.388SS*.Hα-helixtrans-58.2-32.1168.6-88-62.6000112.7D229 Y239D229-H233 WeakPolarHBondContact O-CB 3.35Å; D229-H233 PolarHBondContact O-CD2 2.86Å; D229-H233 PolarHBondContact O-N 3.42Å; H233-Y239 HydrophobicContact CB-CD1 4.44Å; H233-Y239 AromaticContact CD2-CD1 3.66Å; H233-Y239 AromaticContact CD2-CE1 3.94Å; H233-Y239 AromaticContact CE1-CD1 3.69Å; H233-Y239 AromaticContact CG-CD1 3.68Å; H233-Y239 AromaticContact ND1-CD1 3.71Å; H233-Y239 AromaticContact NE2-CD1 3.66Å; H233-Y239 AromaticContact NE2-CE1 3.98Å
234N89.7Confident89.6Confident127 Ų12775.2 Ų75.268%0.67938%0.375SS*.Hα-helixtrans-84.9-18.7177.2-73.3-55.1000113.9T230 L231 F232T230-N234 PolarHBondContact O-N 3.4Å; T230-N234 PolarHBondContact O-ND2 2.99Å; L231-N234 PolarHBondContact O-N 2.98Å; F232-N234 PolarHBondContact O-N 3.39Å
235L88.7Confident89.4Confident74 Ų7474 Ų7439%0.38737%0.37SS..Hα-helixtrans-102.3-26.2-177-72.5175.1000114.2L231 F232L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 3.85Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.32Å; L231-L235 VanDerWaalsContact O-N 3.16Å; F232-L235 PolarHBondContact O-N 3.36Å; F232-L235 VanDerWaalsContact O-N 3.15Å
236I87.7Confident89.2Confident54 Ų5476.5 Ų76.528%0.27739%0.39SS..SBendtrans-131115.5-167.6-59.7169.3000110.1F232 N238 Y239 L247 I251F232-I236 HydrophobicContact CD1-CD1 4.43Å; F232-I236 PolarHBondContact O-N 2.88Å; I236-N238 PolarHBondContact O-N 3.47Å; I236-Y239 WeakPolarHBondContact O-CB 3.32Å; I236-Y239 PolarHBondContact O-N 3.36Å; I236-L247 HydrophobicContact CD1-CD1 3.66Å; I236-L247 HydrophobicContact CD1-CD2 3.72Å; I236-L247 HydrophobicContact CD1-CG 4.27Å; I236-I251 HydrophobicContact CD1-CD1 4.2Å
237E87.4Confident89Confident180 Ų18071.4 Ų71.484%0.84137%0.372SS*.THydrogen-bonded Turntrans-60.7131.7169.2-65.4-179.6-173.600110.3Y239E237-Y239 VanDerWaalsContact C-N 3.34Å
238N87.6Confident88.8Confident149 Ų14968.8 Ų68.880%0.79736%0.357SS*.THydrogen-bonded Turntrans63.931.7-175.3-42.5-76.7000114.6I236 E240I236-N238 PolarHBondContact O-N 3.47Å; N238-E240 PolarHBondContact O-N 2.97Å
239Y91.5Very high88.5Confident16 Ų1670.6 Ų70.66%0.06337%0.369CS..  trans-56.7135.5169.4174.5-105.4000112.6D229 F232 H233 I236 E237 R244 L247D229-Y239 HydrophobicContact CB-CE1 4.28Å; D229-Y239 PolarHBondContact OD1-OH 2.7Å; F232-Y239 HydrophobicContact CB-CD1 4.13Å; F232-Y239 HydrophobicContact CB-CD2 3.42Å; F232-Y239 VanDerWaalsContact CB-CD2 3.42Å; F232-Y239 HydrophobicContact CB-CE1 4.07Å; F232-Y239 HydrophobicContact CB-CE2 3.34Å; F232-Y239 HydrophobicContact CB-CG 3.82Å; F232-Y239 AromaticContact CD2-CE2 3.74Å; F232-Y239 HydrophobicContact CD2-CE2 3.74Å; F232-Y239 AromaticContact CD2-CZ 3.93Å; F232-Y239 HydrophobicContact CG-CD2 4.33Å; F232-Y239 AromaticContact CG-CE2 3.9Å; F232-Y239 HydrophobicContact CG-CE2 3.9Å; H233-Y239 HydrophobicContact CB-CD1 4.44Å; H233-Y239 AromaticContact CD2-CD1 3.66Å; H233-Y239 AromaticContact CD2-CE1 3.94Å; H233-Y239 AromaticContact CE1-CD1 3.69Å; H233-Y239 AromaticContact CG-CD1 3.68Å; H233-Y239 AromaticContact ND1-CD1 3.71Å; H233-Y239 AromaticContact NE2-CD1 3.66Å; H233-Y239 AromaticContact NE2-CE1 3.98Å; I236-Y239 WeakPolarHBondContact O-CB 3.32Å; I236-Y239 PolarHBondContact O-N 3.36Å; E237-Y239 VanDerWaalsContact C-N 3.34Å; Y239-R244 WeakPolarHBondContact OH-CA 3.19Å; Y239-R244 VanDerWaalsContact OH-CB 3.25Å; Y239-R244 WeakPolarHBondContact OH-CB 3.41Å; Y239-L247 HydrophobicContact CD2-CD1 3.75Å; Y239-L247 HydrophobicContact CE2-CD1 3.66Å
240E89.9Confident88Confident93 Ų9376.2 Ų76.244%0.43539%0.394SS..  trans-125.2137.2170.3-67-176.1-115.300110.4N238 K242 F243N238-E240 PolarHBondContact O-N 2.97Å; E240-K242 HydrophobicContact CB-CD 4.42Å; E240-K242 HydrophobicContact CB-CG 4.05Å; E240-K242 VanDerWaalsContact CD-CE 3.42Å; E240-K242 PolarHBondContact O-N 2.92Å; E240-K242 VanDerWaalsContact OE1-CE 3.3Å; E240-K242 WeakPolarHBondContact OE1-CE 3.45Å; E240-K242 IonicContact OE1-NZ 2.66Å; E240-K242 PolarHBondContact OE1-NZ 2.82Å; E240-K242 WeakPolarHBondContact OE2-CD 3.49Å; E240-K242 WeakPolarHBondContact OE2-CE 3.25Å; E240-K242 IonicContact OE2-NZ 2.65Å; E240-K242 PolarHBondContact OE2-NZ 2.87Å; E240-F243 HydrophobicContact CB-CD2 3.89Å; E240-F243 HydrophobicContact CB-CE2 4.07Å; E240-F243 HydrophobicContact CG-CE2 4.46Å; E240-F243 PolarHBondContact O-N 3.42Å
241A88.4Confident87.7Confident48 Ų4875.8 Ų75.840%0.39739%0.388SS..G310 helixtrans-55.6-22.8-179.400000114.3F243 R244A241-F243 PolarHBondContact O-N 2.66Å; A241-R244 VanDerWaalsContact O-CB 3.31Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 3.47Å; A241-R244 VanDerWaalsContact O-N 3.12Å
242K88.1Confident87.3Confident108 Ų10877.2 Ų77.247%0.4740%0.395SS..G310 helixtrans-60.8-23.6174.275.6-169.9-179.8-152.40113.4E240E240-K242 HydrophobicContact CB-CD 4.42Å; E240-K242 HydrophobicContact CB-CG 4.05Å; E240-K242 VanDerWaalsContact CD-CE 3.42Å; E240-K242 PolarHBondContact O-N 2.92Å; E240-K242 VanDerWaalsContact OE1-CE 3.3Å; E240-K242 WeakPolarHBondContact OE1-CE 3.45Å; E240-K242 IonicContact OE1-NZ 2.66Å; E240-K242 PolarHBondContact OE1-NZ 2.82Å; E240-K242 WeakPolarHBondContact OE2-CD 3.49Å; E240-K242 WeakPolarHBondContact OE2-CE 3.25Å; E240-K242 IonicContact OE2-NZ 2.65Å; E240-K242 PolarHBondContact OE2-NZ 2.87Å
243F84.7Confident86.6Confident97 Ų9780.3 Ų80.343%0.42543%0.427SS..G310 helixtrans-93.7-7.1178.5-57.6-60.2000113.7E240 A241 D245 S246 L247E240-F243 HydrophobicContact CB-CD2 3.89Å; E240-F243 HydrophobicContact CB-CE2 4.07Å; E240-F243 HydrophobicContact CG-CE2 4.46Å; E240-F243 PolarHBondContact O-N 3.42Å; A241-F243 PolarHBondContact O-N 2.66Å; F243-D245 PolarHBondContact O-N 3.38Å; F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.23Å; F243-S246 VanDerWaalsContact O-N 3.14Å; F243-L247 HydrophobicContact CB-CD1 3.71Å; F243-L247 HydrophobicContact CB-CG 4.23Å; F243-L247 WeakPolarHBondContact O-CG 3.32Å; F243-L247 PolarHBondContact O-N 3.27Å
244R89.4Confident85.7Confident32 Ų3278.4 Ų78.412%0.12142%0.42CS..Hα-helixtrans-44.4-57.4-175.8-179.7-178.838-118.3-2.7112.5H225 L228 D229 F232 Y239 A241 S246 L247 A248H225-R244 PolarHBondContact CE1-NH2 2.71Å; H225-R244 VanDerWaalsContact ND1-CZ 3.28Å; H225-R244 PolarHBondContact ND1-NE 3.44Å; H225-R244 PolarHBondContact ND1-NH2 3.02Å; H225-R244 VanDerWaalsContact ND1-NH2 3.14Å; L228-R244 HydrophobicContact CB-CG 3.87Å; L228-R244 HydrophobicContact CD1-CG 4.06Å; D229-R244 VanDerWaalsContact OD1-CD 3.27Å; D229-R244 WeakPolarHBondContact OD1-CD 3.44Å; D229-R244 IonicContact OD1-CZ 3.63Å; D229-R244 IonicContact OD1-NE 3.84Å; D229-R244 IonicContact OD1-NH1 2.74Å; D229-R244 PolarHBondContact OD1-NH1 2.88Å; D229-R244 IonicContact OD2-NH1 2.88Å; D229-R244 PolarHBondContact OD2-NH1 2.85Å; F232-R244 HydrophobicContact CE2-CG 4.3Å; Y239-R244 WeakPolarHBondContact OH-CA 3.19Å; Y239-R244 VanDerWaalsContact OH-CB 3.25Å; Y239-R244 WeakPolarHBondContact OH-CB 3.41Å; A241-R244 VanDerWaalsContact O-CB 3.31Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 3.47Å; A241-R244 VanDerWaalsContact O-N 3.12Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.1Å; R244-L247 PolarHBondContact O-N 2.89Å; R244-A248 VanDerWaalsContact O-CB 3.24Å; R244-A248 WeakPolarHBondContact O-CB 3.31Å; R244-A248 PolarHBondContact O-N 3.06Å
245D83.5Confident84.7Confident55 Ų5576.6 Ų76.629%0.29442%0.417SS..Hα-helixtrans-70.9-30.9-169.8-51.3-13.3000111.2F243 T249F243-D245 PolarHBondContact O-N 3.38Å; D245-T249 WeakPolarHBondContact O-CB 3.44Å; D245-T249 PolarHBondContact O-N 3.15Å; D245-T249 PolarHBondContact O-OG1 3.06Å
246S83.1Confident83.4Confident74 Ų7476.6 Ų76.652%0.51742%0.424SS..Hα-helixtrans-68.1-46.3173-167.70000111.3F243 R244 T249 E250F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.23Å; F243-S246 VanDerWaalsContact O-N 3.14Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.1Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 2.97Å; S246-E250 WeakPolarHBondContact O-CB 3.28Å; S246-E250 PolarHBondContact O-N 3.21Å
247L86.8Confident82.1Confident28 Ų2878 Ų7815%0.14743%0.425CS..Hα-helixtrans-70-35.4178.9-70.7165.6000112F232 I236 Y239 F243 R244 T249 E250 I251F232-L247 HydrophobicContact CD1-CB 4.36Å; F232-L247 HydrophobicContact CD2-CB 4.19Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.83Å; F232-L247 HydrophobicContact CG-CB 4.46Å; F232-L247 HydrophobicContact CG-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CB 3.77Å; I236-L247 HydrophobicContact CD1-CD1 3.66Å; I236-L247 HydrophobicContact CD1-CD2 3.72Å; I236-L247 HydrophobicContact CD1-CG 4.27Å; Y239-L247 HydrophobicContact CD2-CD1 3.75Å; Y239-L247 HydrophobicContact CE2-CD1 3.66Å; F243-L247 HydrophobicContact CB-CD1 3.71Å; F243-L247 HydrophobicContact CB-CG 4.23Å; F243-L247 WeakPolarHBondContact O-CG 3.32Å; F243-L247 PolarHBondContact O-N 3.27Å; R244-L247 PolarHBondContact O-N 2.89Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 3.16Å; L247-E250 PolarHBondContact O-N 3.43Å; L247-I251 HydrophobicContact CB-CD1 4.34Å; L247-I251 HydrophobicContact CD2-CD1 4Å; L247-I251 VanDerWaalsContact O-CB 3.25Å; L247-I251 WeakPolarHBondContact O-CB 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.41Å; L247-I251 PolarHBondContact O-N 3.33Å
248A86.9Confident80.9Confident5 Ų574.3 Ų74.34%0.04141%0.411CS..Hα-helixtrans-61.1-39.5169.900000111.6L228 F232 R244 L252 G253 L254L228-A248 HydrophobicContact CD1-CB 4.03Å; L228-A248 HydrophobicContact CD2-CB 4.33Å; F232-A248 HydrophobicContact CE2-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 4.29Å; R244-A248 VanDerWaalsContact O-CB 3.24Å; R244-A248 WeakPolarHBondContact O-CB 3.31Å; R244-A248 PolarHBondContact O-N 3.06Å; A248-L252 CarbonylContact O-C 3.6Å; A248-L252 WeakPolarHBondContact O-CA 3.14Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.45Å; A248-G253 PolarHBondContact O-N 3.38Å; A248-L254 HydrophobicContact CB-CB 4.31Å; A248-L254 HydrophobicContact CB-CD1 4.08Å; A248-L254 PolarHBondContact O-N 3.35Å
249T84.8Confident79.8Confident53 Ų5369 Ų6933%0.32539%0.385SS..Hα-helixtrans-70.5-41.7174.8-54.30000112.4D245 S246 L247 G253 L254 S256D245-T249 WeakPolarHBondContact O-CB 3.44Å; D245-T249 PolarHBondContact O-N 3.15Å; D245-T249 PolarHBondContact O-OG1 3.06Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 2.97Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 3.16Å; T249-G253 WeakPolarHBondContact O-CA 3.49Å; T249-G253 PolarHBondContact O-N 3.5Å; T249-L254 WeakPolarHBondContact CA-O 3.33Å; T249-L254 WeakPolarHBondContact CB-O 3.46Å; T249-L254 PolarHBondContact OG1-O 2.9Å; T249-L254 VanDerWaalsContact OG1-O 3.08Å; T249-S256 WeakPolarHBondContact OG1-CB 3.31Å; T249-S256 PolarHBondContact OG1-N 2.98Å
250E82.2Confident78.4Confident151 Ų15176.5 Ų76.571%0.70642%0.419SS*.Hα-helixtrans-77.3-45.3-175.4-174.9170.7-170.800113.3S246 L247S246-E250 WeakPolarHBondContact O-CB 3.28Å; S246-E250 PolarHBondContact O-N 3.21Å; L247-E250 PolarHBondContact O-N 3.43Å
251I84.4Confident76.9Confident76 Ų7676.4 Ų76.439%0.3943%0.426SS..Hα-helixtrans-88.7-42-173.4-59.4174.3000111.5F232 I236 L247F232-I251 HydrophobicContact CD1-CD1 4.27Å; F232-I251 HydrophobicContact CE1-CD1 3.89Å; I236-I251 HydrophobicContact CD1-CD1 4.2Å; L247-I251 HydrophobicContact CB-CD1 4.34Å; L247-I251 HydrophobicContact CD2-CD1 4Å; L247-I251 VanDerWaalsContact O-CB 3.25Å; L247-I251 WeakPolarHBondContact O-CB 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.41Å; L247-I251 PolarHBondContact O-N 3.33Å
252L83.5Confident75.5Confident81 Ų8181.1 Ų81.142%0.42444%0.444SS..SBendtrans-104.8-3.4-172.9-55.5174.6000113.3L228 L231 F232 A248 L254L228-L252 HydrophobicContact CD2-CD1 3.43Å; L228-L252 VanDerWaalsContact CD2-CD1 3.43Å; L231-L252 HydrophobicContact CD2-CD1 4.15Å; L231-L252 HydrophobicContact CD2-CD2 4.49Å; F232-L252 HydrophobicContact CZ-CD1 4.35Å; A248-L252 CarbonylContact O-C 3.6Å; A248-L252 WeakPolarHBondContact O-CA 3.14Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.45Å; L252-L254 HydrophobicContact CB-CD1 4.1Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 4.01Å; L252-L254 PolarHBondContact O-N 3.37Å
253G78Confident74.5Confident65 Ų6577.6 Ų77.667%0.6743%0.433SS*.  trans66.214.8-176.600000114.2A248 T249A248-G253 PolarHBondContact O-N 3.38Å; T249-G253 WeakPolarHBondContact O-CA 3.49Å; T249-G253 PolarHBondContact O-N 3.5Å
254L73.8Confident73.6Confident81 Ų8179.6 Ų79.642%0.42445%0.448SS..  trans-68.8137.9-178.7-66.1175.4000110.4L228 A248 T249 L252 S256L228-L254 HydrophobicContact CD2-CD1 4.37Å; A248-L254 HydrophobicContact CB-CB 4.31Å; A248-L254 HydrophobicContact CB-CD1 4.08Å; A248-L254 PolarHBondContact O-N 3.35Å; T249-L254 WeakPolarHBondContact CA-O 3.33Å; T249-L254 WeakPolarHBondContact CB-O 3.46Å; T249-L254 PolarHBondContact OG1-O 2.9Å; T249-L254 VanDerWaalsContact OG1-O 3.08Å; L252-L254 HydrophobicContact CB-CD1 4.1Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 4.01Å; L252-L254 PolarHBondContact O-N 3.37Å; L254-S256 PolarHBondContact O-N 3.38Å; L254-S256 VanDerWaalsContact O-N 3.16Å
255S68.9Low72.3Confident88 Ų8880.9 Ų80.962%0.61546%0.455SS*.  trans-63.9119.9175.4172.30000110.3R257S255-R257 WeakPolarHBondContact CB-O 3.24Å; S255-R257 CarbonylContact O-C 3.52Å; S255-R257 PolarHBondContact O-N 3.29Å; S255-R257 PolarHBondContact OG-N 3.16Å; S255-R257 PolarHBondContact OG-O 3.02Å
256S61.3Low71.4Confident75 Ų7579.4 Ų79.452%0.52445%0.448SS..SBendtrans-55.1-19.616951.70000113.6T249 L254T249-S256 WeakPolarHBondContact OG1-CB 3.31Å; T249-S256 PolarHBondContact OG1-N 2.98Å; L254-S256 PolarHBondContact O-N 3.38Å; L254-S256 VanDerWaalsContact O-N 3.16Å
257R60.2Low70.4Confident82 Ų8278.6 Ų78.631%0.30944%0.443SS..  trans-95.5124.2167-55.7-171.7-165.2-130-8.5110.4S255 C259 D282S255-R257 WeakPolarHBondContact CB-O 3.24Å; S255-R257 CarbonylContact O-C 3.52Å; S255-R257 PolarHBondContact O-N 3.29Å; S255-R257 PolarHBondContact OG-N 3.16Å; S255-R257 PolarHBondContact OG-O 3.02Å; R257-C259 WeakPolarHBondContact CB-O 3.35Å; R257-C259 PolarHBondContact O-N 3.3Å; R257-D282 IonicContact CZ-OD1 3.6Å; R257-D282 IonicContact CZ-OD2 3.94Å; R257-D282 VanDerWaalsContact CZ-OD2 3.25Å; R257-D282 IonicContact NH1-OD1 2.68Å; R257-D282 IonicContact NH1-OD2 2.76Å; R257-D282 PolarHBondContact NH1-OD2 2.92Å; R257-D282 IonicContact NH2-OD1 3.44Å; R257-D282 PolarHBondContact NH2-OD1 3.38Å; R257-D282 IonicContact NH2-OD2 2.85Å; R257-D282 PolarHBondContact NH2-OD2 3.4Å
258L61.5Low69.1Low104 Ų10481.1 Ų81.155%0.54546%0.456SS..SBendtrans-66.7-14.3170.4-63.3154000112.9L270L258-L270 HydrophobicContact CD1-CD2 3.95Å
259C64.1Low67.8Low37 Ų3782 Ų8225%0.2546%0.461CS..SBendtrans-157.7170.1-17666.20000113.2R257 C263 C266R257-C259 WeakPolarHBondContact CB-O 3.35Å; R257-C259 PolarHBondContact O-N 3.3Å; C259-C263 HydrophobicContact CB-CB 3.64Å; C259-C266 HydrophobicContact CB-CB 3.72Å; C259-C266 VanDerWaalsContact CB-SG 3.58Å; C259-C266 WeakPolarHBondContact SG-CB 3.2Å
260F63.3Low66.6Low174 Ų17480.6 Ų80.676%0.76345%0.451SS*.  trans-62.2149.8162.1-68.2-79.4000110.8D262 C263F260-D262 PolarHBondContact O-N 2.89Å; F260-D262 VanDerWaalsContact O-N 3.16Å; F260-C263 VanDerWaalsContact O-CB 3.27Å; F260-C263 WeakPolarHBondContact O-CB 3.25Å; F260-C263 PolarHBondContact O-N 2.94Å; F260-C263 VanDerWaalsContact O-N 3.13Å
261P56.9Low65.5Low90 Ų9077.2 Ų77.258%0.58444%0.441SS*.THydrogen-bonded Turntrans-58.9-30-174.722.5-33.8000114C263P261-C263 VanDerWaalsContact C-N 3.28Å; P261-C263 PolarHBondContact O-N 3.48Å
262D60.1Low63.9Low147 Ų14782.8 Ų82.879%0.78646%0.457SS*.THydrogen-bonded Turntrans-89.220.6-179-50.2-51.2000113.5F260 D264F260-D262 PolarHBondContact O-N 2.89Å; F260-D262 VanDerWaalsContact O-N 3.16Å; D262-D264 PolarHBondContact O-N 2.89Å; D262-D264 VanDerWaalsContact O-N 3.15Å
263C67.8Low62.3Low34 Ų3484 Ų8423%0.2346%0.464CS..  trans-84.189.3-177.6-167.30000112.5C259 F260 P261 F265 C266 S267C259-C263 HydrophobicContact CB-CB 3.64Å; F260-C263 VanDerWaalsContact O-CB 3.27Å; F260-C263 WeakPolarHBondContact O-CB 3.25Å; F260-C263 PolarHBondContact O-N 2.94Å; F260-C263 VanDerWaalsContact O-N 3.13Å; P261-C263 VanDerWaalsContact C-N 3.28Å; P261-C263 PolarHBondContact O-N 3.48Å; C263-F265 PolarHBondContact O-N 2.99Å; C263-C266 HydrophobicContact CB-CB 4.22Å; C263-C266 PolarHBondContact O-N 2.87Å; C263-C266 VanDerWaalsContact O-N 3.1Å; C263-S267 PolarHBondContact O-N 2.76Å; C263-S267 PolarHBondContact O-OG 3.34Å
264D64.7Low61.2Low139 Ų13982.3 Ų82.374%0.74344%0.438SS*.Hα-helixtrans-46.1-33.7171.2-70.6-24000113.5D262D262-D264 PolarHBondContact O-N 2.89Å; D262-D264 VanDerWaalsContact O-N 3.15Å
265F62.1Low60.1Low60 Ų6083.7 Ų83.726%0.26344%0.438SS..Hα-helixtrans-74.4-38.9-176.4-162-84.3000113R210 I213 K214 L217 C263 L269R210-F265 HydrophobicContact CG-CE2 4.35Å; I213-F265 HydrophobicContact CG2-CZ 4.02Å; K214-F265 HydrophobicContact CG-CE1 3.93Å; K214-F265 HydrophobicContact CG-CE2 4.23Å; K214-F265 HydrophobicContact CG-CZ 3.54Å; L217-F265 HydrophobicContact CD1-CE1 3.65Å; L217-F265 HydrophobicContact CD1-CZ 4.36Å; C263-F265 PolarHBondContact O-N 2.99Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD1-CG 4.37Å; F265-L269 HydrophobicContact CE1-CD1 3.96Å; F265-L269 HydrophobicContact CE1-CD2 4.4Å; F265-L269 HydrophobicContact CE1-CG 4.35Å
266C64.3Low59Low23 Ų2385.4 Ų85.416%0.15543%0.432CS..Hα-helixtrans-82.7-24.8-176.3-66.90000112.8C259 C263 D268 L269 L270C259-C266 HydrophobicContact CB-CB 3.72Å; C259-C266 VanDerWaalsContact CB-SG 3.58Å; C259-C266 WeakPolarHBondContact SG-CB 3.2Å; C263-C266 HydrophobicContact CB-CB 4.22Å; C263-C266 PolarHBondContact O-N 2.87Å; C263-C266 VanDerWaalsContact O-N 3.1Å; C266-D268 PolarHBondContact O-N 3.5Å; C266-L269 PolarHBondContact O-N 3.32Å; C266-L270 PolarHBondContact O-N 3.32Å; C266-L270 VanDerWaalsContact O-N 3.11Å
267S62.8Low58.4Low58 Ų5887.3 Ų87.341%0.40643%0.427SS..Hα-helixtrans-53.5-33.1168.7-63.60000112.8C263 R275C263-S267 PolarHBondContact O-N 2.76Å; C263-S267 PolarHBondContact O-OG 3.34Å; S267-R275 PolarHBondContact O-NE 2.88Å; S267-R275 PolarHBondContact O-NH2 3.36Å; S267-R275 VanDerWaalsContact O-NH2 3.1Å
268D58.9Low57.9Low80 Ų8085.6 Ų85.643%0.42843%0.426SS..THydrogen-bonded Turntrans-81.6-23.6176-76.1-22.2000114K214 C266K214-D268 VanDerWaalsContact NZ-CB 3.31Å; K214-D268 VanDerWaalsContact NZ-CG 3.3Å; K214-D268 IonicContact NZ-OD2 3.84Å; K214-D268 PolarHBondContact NZ-OD2 3.37Å; C266-D268 PolarHBondContact O-N 3.5Å
269L59.5Low57.4Low25 Ų2587 Ų8713%0.13143%0.43CS..THydrogen-bonded Turntrans-84-24.6-179.6-62.8174.9000112.7K214 L217 I218 F265 C266 T271K214-L269 HydrophobicContact CB-CD2 3.93Å; K214-L269 HydrophobicContact CG-CD2 4.01Å; K214-L269 WeakPolarHBondContact O-CD2 3.22Å; L217-L269 HydrophobicContact CB-CD1 4.02Å; L217-L269 HydrophobicContact CB-CD2 4.21Å; L217-L269 HydrophobicContact CD1-CD1 4.22Å; I218-L269 HydrophobicContact CD1-CD2 4.33Å; I218-L269 HydrophobicContact CG1-CD2 3.94Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD1-CG 4.37Å; F265-L269 HydrophobicContact CE1-CD1 3.96Å; F265-L269 HydrophobicContact CE1-CD2 4.4Å; F265-L269 HydrophobicContact CE1-CG 4.35Å; C266-L269 PolarHBondContact O-N 3.32Å; L269-T271 PolarHBondContact O-N 3.16Å
270L60.5Low56.5Low23 Ų2389.4 Ų89.412%0.1244%0.44CS..SBendtrans-69.6125.6174.6-71.4164.9000110.2L258 C266 E274 R275L258-L270 HydrophobicContact CD1-CD2 3.95Å; C266-L270 PolarHBondContact O-N 3.32Å; C266-L270 VanDerWaalsContact O-N 3.11Å; L270-E274 HydrophobicContact CB-CB 4.49Å; L270-E274 HydrophobicContact CD2-CB 3.87Å; L270-R275 HydrophobicContact CB-CG 3.66Å; L270-R275 HydrophobicContact CD1-CG 4.4Å; L270-R275 PolarHBondContact O-NE 3.08Å; L270-R275 PolarHBondContact O-NH2 3.47Å; L270-R275 VanDerWaalsContact O-NH2 3.13Å
271T58.5Low55.8Low80 Ų8087.7 Ų87.749%0.49143%0.434SS..  trans-61.1155.2168.159.60000109.9L269 D273 E274 R275L269-T271 PolarHBondContact O-N 3.16Å; T271-D273 PolarHBondContact O-N 3.22Å; T271-D273 VanDerWaalsContact O-N 3.13Å; T271-E274 PolarHBondContact N-OE2 3.05Å; T271-E274 VanDerWaalsContact N-OE2 3.14Å; T271-E274 PolarHBondContact O-N 2.98Å; T271-E274 VanDerWaalsContact OG1-CG 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-OE2 2.9Å; T271-R275 PolarHBondContact O-N 2.92Å
272R50.5Low55.3Low193 Ų19387.8 Ų87.873%0.72843%0.43SS*.Hα-helixtrans-55.8-36.7-171.8-171.2177.9178.8176.5-0.9112.6Y276R272-Y276 HydrophobicContact CG-CE2 4.18Å; R272-Y276 WeakPolarHBondContact O-CD2 3.46Å; R272-Y276 WeakPolarHBondContact O-CE2 3.43Å
273D50.4Low54.5Low106 Ų10687.4 Ų87.457%0.56743%0.427SS*.Hα-helixtrans-66.1-38.8178.5-166.825000112.6T271 Y276T271-D273 PolarHBondContact O-N 3.22Å; T271-D273 VanDerWaalsContact O-N 3.13Å; D273-Y276 PolarHBondContact O-N 2.75Å
274E54.4Low53Low30 Ų3090.4 Ų90.414%0.1445%0.448CS..Hα-helixtrans-73.8-31.3-177.6-65169.114200112.8R221 H225 L270 T271 Y276 R277 T278R221-E274 IonicContact CZ-OE1 2.82Å; R221-E274 IonicContact CZ-OE2 3.25Å; R221-E274 IonicContact NH1-OE1 3.67Å; R221-E274 PolarHBondContact NH1-OE1 2.84Å; R221-E274 IonicContact NH1-OE2 3.14Å; R221-E274 PolarHBondContact NH1-OE2 2.66Å; R221-E274 IonicContact NH2-OE1 2.77Å; R221-E274 PolarHBondContact NH2-OE1 2.89Å; R221-E274 IonicContact NH2-OE2 2.66Å; R221-E274 PolarHBondContact NH2-OE2 3.13Å; H225-E274 IonicContact CE1-OE1 3.92Å; L270-E274 HydrophobicContact CB-CB 4.49Å; L270-E274 HydrophobicContact CD2-CB 3.87Å; T271-E274 PolarHBondContact N-OE2 3.05Å; T271-E274 VanDerWaalsContact N-OE2 3.14Å; T271-E274 PolarHBondContact O-N 2.98Å; T271-E274 VanDerWaalsContact OG1-CG 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-OE2 2.9Å; E274-Y276 PolarHBondContact O-N 2.99Å; E274-R277 WeakPolarHBondContact O-CA 3.25Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.07Å; E274-T278 PolarHBondContact O-N 3.4Å; E274-T278 PolarHBondContact O-OG1 3.49Å
275R51.4Low51.7Low109 Ų10991.2 Ų91.241%0.41144%0.44SS..Hα-helixtrans-58-36.7175.7-61.9179.1-163.5-161.5-0.7112S267 L270 T271 Q279S267-R275 PolarHBondContact O-NE 2.88Å; S267-R275 PolarHBondContact O-NH2 3.36Å; S267-R275 VanDerWaalsContact O-NH2 3.1Å; L270-R275 HydrophobicContact CB-CG 3.66Å; L270-R275 HydrophobicContact CD1-CG 4.4Å; L270-R275 PolarHBondContact O-NE 3.08Å; L270-R275 PolarHBondContact O-NH2 3.47Å; L270-R275 VanDerWaalsContact O-NH2 3.13Å; T271-R275 PolarHBondContact O-N 2.92Å; R275-Q279 PolarHBondContact O-N 3.29Å
276Y46.6Very low50.4Low124 Ų12492.7 Ų92.749%0.48646%0.456SS..Hα-helixtrans-67.9-36.9174.1-65.8-72.1000111.5R272 D273 E274 N280R272-Y276 HydrophobicContact CG-CE2 4.18Å; R272-Y276 WeakPolarHBondContact O-CD2 3.46Å; R272-Y276 WeakPolarHBondContact O-CE2 3.43Å; D273-Y276 PolarHBondContact O-N 2.75Å; E274-Y276 PolarHBondContact O-N 2.99Å; Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.93Å; Y276-N280 VanDerWaalsContact O-CG 3.26Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.32Å
277R48.6Very low49Very low115 Ų115100.1 Ų100.143%0.43449%0.494SS..Hα-helixtrans-67.8-43.1176.9-66-168.9-175.9-165.83.3112.8E274 N280 H281E274-R277 WeakPolarHBondContact O-CA 3.25Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.07Å; R277-N280 PolarHBondContact O-N 3.44Å; R277-H281 WeakPolarHBondContact O-CB 3.31Å; R277-H281 PolarHBondContact O-N 2.91Å
278T50Low47.6Very low47 Ų47101.4 Ų101.429%0.28850%0.503SS..Hα-helixtrans-65.4-39.8178.82.70000112.2E274E274-T278 PolarHBondContact O-N 3.4Å; E274-T278 PolarHBondContact O-OG1 3.49Å
279Q49.7Very low46.2Very low132 Ų132105.2 Ų105.262%0.61751%0.513SS*.Hα-helixtrans-67.7-41.9174.5-72.8-173.5-7.500112.5R275 H281 D282 L283R275-Q279 PolarHBondContact O-N 3.29Å; Q279-H281 PolarHBondContact O-N 3.21Å; Q279-D282 PolarHBondContact O-N 3.36Å; Q279-L283 PolarHBondContact O-N 3.08Å
280N46.2Very low44.8Very low88 Ų88109 Ų10947%0.47154%0.538SS..Hα-helixtrans-69-31.4178.8-75-39.7000112.8Y276 R277 D282 L283 C284Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.93Å; Y276-N280 VanDerWaalsContact O-CG 3.26Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.32Å; R277-N280 PolarHBondContact O-N 3.44Å; N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.19Å; N280-L283 PolarHBondContact O-N 3.05Å; N280-L283 VanDerWaalsContact O-N 3.16Å; N280-C284 VanDerWaalsContact O-CB 3.3Å; N280-C284 WeakPolarHBondContact O-CB 3.38Å; N280-C284 PolarHBondContact O-N 2.89Å
281H47.9Very low43.4Very low138 Ų138113.1 Ų113.164%0.63957%0.569SS**Hα-helixtrans-66.4-25.6174.3-100.3-66.5000113.9R277 Q279R277-H281 WeakPolarHBondContact O-CB 3.31Å; R277-H281 PolarHBondContact O-N 2.91Å; Q279-H281 PolarHBondContact O-N 3.21Å
282D46.4Very low42.1Very low92 Ų92118.9 Ų118.949%0.49258%0.582SS.*Hα-helixtrans-75.2-30.6171.3-102-42000112.7R257 Q279 N280R257-D282 IonicContact CZ-OD1 3.6Å; R257-D282 IonicContact CZ-OD2 3.94Å; R257-D282 VanDerWaalsContact CZ-OD2 3.25Å; R257-D282 IonicContact NH1-OD1 2.68Å; R257-D282 IonicContact NH1-OD2 2.76Å; R257-D282 PolarHBondContact NH1-OD2 2.92Å; R257-D282 IonicContact NH2-OD1 3.44Å; R257-D282 PolarHBondContact NH2-OD1 3.38Å; R257-D282 IonicContact NH2-OD2 2.85Å; R257-D282 PolarHBondContact NH2-OD2 3.4Å; Q279-D282 PolarHBondContact O-N 3.36Å; N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.19Å
283L42.9Very low41.3Very low140 Ų140117.7 Ų117.773%0.73359%0.589SS**Hα-helixtrans-90.2-28-177.9-68.2165.7000113.5Q279 N280Q279-L283 PolarHBondContact O-N 3.08Å; N280-L283 PolarHBondContact O-N 3.05Å; N280-L283 VanDerWaalsContact O-N 3.16Å
284C37Very low40.6Very low97 Ų97119.5 Ų119.566%0.65560%0.604SS**SBendtrans-96.610.8-177.9-67.60000114.4N280 P286N280-C284 VanDerWaalsContact O-CB 3.3Å; N280-C284 WeakPolarHBondContact O-CB 3.38Å; N280-C284 PolarHBondContact O-N 2.89Å; C284-P286 WeakPolarHBondContact O-CD 3.36Å
285R37.7Very low39.4Very low155 Ų155122.1 Ų122.159%0.58563%0.625SS**  trans-85.6101.8168.1-160.4-177.2-158.7-174.17108.9Y289R285-Y289 VanDerWaalsContact CZ-CE2 3.45Å; R285-Y289 PolarHBondContact NH2-OH 2.7Å
286P35Very low38.4Very low92 Ų92124.7 Ų124.760%0.59764%0.642SS**  trans-57.5145.4169.924.9-33.7000109.6C284 S288C284-P286 WeakPolarHBondContact O-CD 3.36Å; P286-S288 PolarHBondContact O-N 2.94Å; P286-S288 PolarHBondContact O-OG 3.16Å
287N35.1Very low37.7Very low178 Ų178126.8 Ų126.895%0.95266%0.66SS**SBendtrans-71.360.4176.6-84.7-41.4000111.6
288S31.6Very low37Very low85 Ų85126.8 Ų126.859%0.59468%0.675SS**  trans-119.134.6-178.148.70000112.5P286P286-S288 PolarHBondContact O-N 2.94Å; P286-S288 PolarHBondContact O-OG 3.16Å
289Y29.7Very low36.1Very low161 Ų161129.2 Ų129.263%0.63169%0.694SS**SBendtrans-88.6118.8149.3-80-98.7000108.2R285 S291R285-Y289 VanDerWaalsContact CZ-CE2 3.45Å; R285-Y289 PolarHBondContact NH2-OH 2.7Å; Y289-S291 VanDerWaalsContact C-N 3.34Å; Y289-S291 PolarHBondContact O-N 2.99Å
290P30.6Very low35.4Very low103 Ų103130.4 Ų130.467%0.66970%0.704SS**  trans-72.193170.329.8-32.1000108.7R292P290-R292 PolarHBondContact O-N 3.02Å
291S32.3Very low34.7Very low111 Ų111132.1 Ų132.178%0.77672%0.722SS**THydrogen-bonded Turntrans-68.247.3169.4-57.60000112.2Y289Y289-S291 VanDerWaalsContact C-N 3.34Å; Y289-S291 PolarHBondContact O-N 2.99Å
292R30.6Very low33.9Very low200 Ų200131.7 Ų131.776%0.75573%0.732SS**THydrogen-bonded Turntrans-126.28.7-170.6-85.4-163.6171.1-154.3-0.3115P290P290-R292 PolarHBondContact O-N 3.02Å
293L34.2Very low33.3Very low168 Ų168132.7 Ų132.788%0.8875%0.746SS**SBendtrans-93.1-0.6175.2-83.6167.1000115
294V34Very low33Very low145 Ų145130.7 Ų130.788%0.87974%0.741SS**SBendtrans-135.343.8178.5-161.80000112.4
295S30Very low32.9Very low84 Ų84135.7 Ų135.759%0.58775%0.752SS**SBendtrans-171.571.2163.762.20000113.5
296Q31.5Very low32.9Very low164 Ų164133.8 Ų133.877%0.76676%0.76SS**  trans-17096.5152.7-107.8153.148.600108.8P298Q296-P298 WeakPolarHBondContact O-CD 3.3Å
297I31.6Very low33Very low167 Ų167134.8 Ų134.886%0.85677%0.766SS**  trans-93.1103160.7-63.5167.9000105.1S299I297-S299 PolarHBondContact O-N 3.32Å; I297-S299 VanDerWaalsContact O-N 3.15Å
298P32.8Very low33.1Very low116 Ų116134 Ų13475%0.75376%0.757SS**  trans-80.793.7166.611.38.1000106.5Q296 N300Q296-P298 WeakPolarHBondContact O-CD 3.3Å; P298-N300 PolarHBondContact O-N 2.86Å
299S31.1Very low33.3Very low98 Ų98136.7 Ų136.769%0.68576%0.763SS**  trans-55.6109.5157.81550000108.1I297I297-S299 PolarHBondContact O-N 3.32Å; I297-S299 VanDerWaalsContact O-N 3.15Å
300N35.3Very low33.6Very low156 Ų156134 Ų13483%0.83477%0.767SS**  trans-166.7133.8147.4-92.1-23.4000110.8P298P298-N300 PolarHBondContact O-N 2.86Å
301C31.4Very low33.7Very low124 Ų124135 Ų13584%0.83877%0.772SS**  trans-72.7156.3-170-66.10000114.2
302P31.8Very low34Very low130 Ų130135.5 Ų135.584%0.84478%0.775SS**  trans-76.9144.6174.332.7-34.8000112
303S33.6Very low34.1Very low113 Ų113135.6 Ų135.679%0.7978%0.782SS**  trans-135.3129.6163.8-175.40000109
304P35.4Very low34.4Very low97 Ų97133.3 Ų133.363%0.6378%0.777SS**  trans-88.2149.9-177.835.1-34000112.3
305F36.2Very low34.8Very low202 Ų202132 Ų13289%0.88678%0.775SS**  trans156.2127138-82-59.6000111.8
306P36.7Very low34.9Very low116 Ų116135.1 Ų135.175%0.75379%0.785SS**  trans-107.6-163173.343.8-36000111
307P38Very low35.3Very low112 Ų112134.5 Ų134.573%0.72779%0.786SS**  cis-122.7-167.9-25.237.3-20.1000112
308Q37.9Very low35.5Very low163 Ų163132.2 Ų132.276%0.76278%0.78SS**  trans169.7129.6132.8-93.9-177.518.900116.1
309I34.9Very low35.6Very low140 Ų140130.9 Ų130.972%0.71878%0.779SS**  trans58.7125.5138.3-42.7159.8000117.3
310S36.5Very low35.8Very low104 Ų104138.5 Ų138.573%0.72779%0.793SS**  cis-157.6148.644.2-50.80000117.1
311T31.2Very low35.6Very low126 Ų126135.8 Ų135.877%0.77379%0.787SS**  trans-26.5152.6154.248.50000119.1
312S39.3Very low35.8Very low120 Ų120138.3 Ų138.384%0.83979%0.79SS**  -160.4179.165.953.80000116.1
313F32.7Very low35.7Very low203 Ų203137.8 Ų137.889%0.8979%0.785SS**  trans-125.8-172.6-151.8-105.2-53.9000113.4
314P41.6Very low35.8Very low119 Ų119137.6 Ų137.677%0.77378%0.784SS**  trans-114.8-172.2-145.544.7-31000115.2
315S40.7Very low35.8Very low119 Ų119140.8 Ų140.883%0.83280%0.795SS**  trans-152.8147157.9-1610000113.6
316N33.5Very low35.8Very low149 Ų149134.9 Ų134.980%0.79778%0.784SS**  trans-90.6157.4172.4-71.1-39.7000111.2
317D39.7Very low35.6Very low150 Ų150135.1 Ų135.180%0.80279%0.788SS**  trans-170.9118.5130.7-109.9-38.6000116.4
318T35.2Very low35.5Very low119 Ų119139.2 Ų139.273%0.7379%0.791SS**  48.9102.3124.9-480000123.5
319A34.6Very low35.3Very low89 Ų89137.6 Ų137.674%0.73679%0.786SS**  trans52.3127.6132.400000124.3
320R36.3Very low35.2Very low257 Ų257134.6 Ų134.697%0.9779%0.79SS**  -166.7152.7119.2-111.4172.5179.81590.9114.3
321S30.2Very low35.1Very low100 Ų100135.5 Ų135.570%0.69979%0.791SS**  trans-94.7156.2-179.5171.80000112.3
322L36.5Very low35.3Very low176 Ų176135.1 Ų135.192%0.92179%0.788SS**  trans-161145.8148.6-105.8146.7000111.9
323T29.8Very low35.2Very low119 Ų119135.8 Ų135.873%0.7378%0.782SS**  trans-118.9155.1-169.246.30000113
324S35Very low35.1Very low109 Ų109133.4 Ų133.476%0.76278%0.778SS**  trans-165.5117.6158.2-71.60000107.5
325D35.9Very low34.7Very low164 Ų164134.6 Ų134.688%0.87778%0.783SS**  70.2136.788-75.3-17.3000114.3
326A35.1Very low34.4Very low79 Ų79138.3 Ų138.365%0.65379%0.785SS**  cis-168.8174.6-8.400000111.3
327S33.5Very low34.6Very low120 Ų120136.6 Ų136.684%0.83978%0.782SS**  trans75.3149161.180.70000119.1
328Y34.4Very low34.1Very low199 Ų199135.9 Ų135.978%0.7878%0.778SS**  cis-167.7128-16.6172.1-92.4000112.6
329I34.1Very low34Very low129 Ų129141.2 Ų141.266%0.66279%0.785SS**  trans52.8130.9154.6-59.4-165.9000123
330G34.4Very low34.2Very low77 Ų77140.8 Ų140.879%0.79478%0.776SS**  trans-174.880.115900000112.8
331V33.6Very low34.1Very low123 Ų123135 Ų13575%0.74577%0.769SS**  trans-83.2148.9-175.9-176.70000110
332V36Very low34.3Very low117 Ų117136.1 Ų136.171%0.70978%0.775SS**  179.5129.897161.40000111.6
333N36Very low34.3Very low135 Ų135134.6 Ų134.672%0.72277%0.772SS**  trans52114.5158.3-54.9-11000120.6
334N29.9Very low34.4Very low152 Ų152135.9 Ų135.981%0.81378%0.775SS**  61.8102.164-70.9-14.1000116.1
335V34.5Very low34.2Very low144 Ų144141.5 Ų141.587%0.87378%0.779SS**  -159122.4117.3176.30000109.6
336F33.1Very low34Very low197 Ų197138.8 Ų138.886%0.86477%0.772SS**  trans-116.7174.3158.4-104.5-88.9000105.6
337P38.3Very low33.7Very low114 Ų114141.8 Ų141.874%0.7478%0.777SS**  cis-153174.33447.7-26.8000120.6
338D29.8Very low33.5Very low135 Ų135142.2 Ų142.272%0.72277%0.77SS**  trans73.6118.3139.9-140-9000123.3S340D338-S340 PolarHBondContact OD1-N 2.67Å
339R33.1Very low33.3Very low231 Ų231141.3 Ų141.387%0.87277%0.772SS**  -159.6118.5114.2-123.8-178.9-178.1-173.3-0.2115.4
340S37.6Very low33.2Very low79 Ų79142.2 Ų142.255%0.55278%0.778SS**  trans54.293.6143.359.20000119.4D338D338-S340 PolarHBondContact OD1-N 2.67Å
341T34.3Very low33.2Very low135 Ų135148.8 Ų148.883%0.82879%0.785SS**  96.5124.384.245.90000114.8
342P34.3Very low33.1Very low125 Ų125148.6 Ų148.681%0.81278%0.784SS**  trans-97.3165.4-175.739-36.1000114.3
343V38.6Very low32.8Very low144 Ų144147.4 Ų147.487%0.87379%0.787SS**  trans-133.7119.4163.2176.50000109.7
344D30.5Very low32.7Very low145 Ų145147.8 Ų147.878%0.77579%0.788SS**  trans-60.3144.6169.8-85.7-59.8000112.8
345R32Very low33.3Very low228 Ų228146.8 Ų146.886%0.8678%0.781SS**  -176.6123.3114.7-98.7165.1-170.4-162.13.1114.1
346C31Very low33.5Very low107 Ų107146.4 Ų146.472%0.72377%0.774SS**  trans60.1109.2137.4-59.10000120.3
347N28.5Very low33.4Very low142 Ų142143.4 Ų143.476%0.75978%0.777SS**  63.6142.6123.9-91.651000123.1
348D29.8Very low33.4Very low129 Ų129140 Ų14069%0.6976%0.762SS**  trans86.2105.4153.1-54.6-15.4000119
349H29.6Very low34.1Very low179 Ų179138.1 Ų138.183%0.82975%0.752SS**  trans26.5100.4147.5-62.7-49.8000119.4
350N33Very low34.3Very low148 Ų148135.2 Ų135.279%0.79175%0.754SS**  trans-153.9119.8138.5-98.4-41.1000112.2T352N350-T352 PolarHBondContact O-N 3.18Å; N350-T352 VanDerWaalsContact O-N 3.14Å
351K34.1Very low34.4Very low216 Ų216139.9 Ų139.994%0.93977%0.767SS**  trans-8357.5170.5-82.4-174164.8-171.10110.6
352T31.7Very low34.7Very low118 Ų118141.8 Ų141.872%0.72476%0.76SS**  trans-154.348.6-175.733.10000113.2N350N350-T352 PolarHBondContact O-N 3.18Å; N350-T352 VanDerWaalsContact O-N 3.14Å
353A29.8Very low34.9Very low92 Ų92144 Ų14476%0.7676%0.764SS**  trans-157.1137.9160.400000105.8
354I32.9Very low35Very low144 Ų144145.2 Ų145.274%0.73876%0.758SS**  cis-141.3119.931.7-64.2146.1000108
355I42.2Very low35.6Very low131 Ų131144 Ų14467%0.67276%0.758SS**  trans-109.8112.7161.9-61179.9000106.4
356N38.4Very low35.8Very low136 Ų136137.9 Ų137.973%0.72774%0.742SS**  trans-62.7137.6-173.1-82.2-35.9000111.7G358N356-G358 PolarHBondContact O-N 3.26Å
357S32.9Very low36.4Very low134 Ų134137.1 Ų137.194%0.93774%0.736SS**SBendtrans-76.956.3-171.1-45.70000113.6
358G38.5Very low36.8Very low41 Ų41133 Ų13342%0.42372%0.719SS.*  trans-105.5-10.9-178.700000115.9N356 N360N356-G358 PolarHBondContact O-N 3.26Å; G358-N360 VanDerWaalsContact C-N 3.28Å; G358-N360 PolarHBondContact O-N 2.82Å
359L42.8Very low37.3Very low97 Ų97136.2 Ų136.251%0.50872%0.722SS.*G310 helixtrans-71.4-12.7-168.7-76.4165.3000115.5L231 Q361L231-L359 HydrophobicContact CD1-CD2 4.48Å; L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 3.21Å
360N38.6Very low38.2Very low170 Ų170132.2 Ų132.291%0.90971%0.711SS**G310 helixtrans-82.46.9-178.4-75.2-9.2000114.8G358G358-N360 VanDerWaalsContact C-N 3.28Å; G358-N360 PolarHBondContact O-N 2.82Å
361Q38.9Very low38.6Very low177 Ų177131.5 Ų131.583%0.82771%0.706SS**G310 helixtrans-117.5-2.4-179.7-66.7-17412.400114.5L359 L363L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 3.21Å; Q361-L363 PolarHBondContact O-N 3.07Å
362Y40Very low39Very low174 Ų174129.5 Ų129.568%0.68270%0.7SS**  trans-93.795.6176.8-70.2-80.2000110.5F364Y362-F364 PolarHBondContact O-N 2.79Å; Y362-F364 VanDerWaalsContact O-N 3.15Å
363L39.1Very low39.5Very low171 Ų171132.6 Ų132.690%0.89570%0.703SS**  trans-58.1113.5160.8-81.1130.4000108.3Q361Q361-L363 PolarHBondContact O-N 3.07Å
364F41.7Very low39.9Very low170 Ų170133.3 Ų133.375%0.74670%0.7SS**PPolyproline II helixtrans-56.3138.1165.3-76.6-93.3000108.8Y362 D366Y362-F364 PolarHBondContact O-N 2.79Å; Y362-F364 VanDerWaalsContact O-N 3.15Å; F364-D366 PolarHBondContact O-N 2.95Å
365P42.9Very low40.2Very low120 Ų120132 Ų13278%0.77969%0.694SS**PPolyproline II helixtrans-54.7129168.3-22.833.5000109.2
366D36.4Very low40Very low99 Ų99130.6 Ų130.653%0.52969%0.694SS.*PPolyproline II helixtrans-59120.4-173.5-173.310.9000110.3F364 S368 Y369F364-D366 PolarHBondContact O-N 2.95Å; D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 PolarHBondContact OD1-OG 3.42Å; D366-S368 PolarHBondContact OD2-OG 2.93Å; D366-Y369 HydrophobicContact CB-CD2 4.49Å; D366-Y369 PolarHBondContact O-N 3.15Å; D366-Y369 VanDerWaalsContact O-N 3.15Å
367P42.7Very low39.8Very low92 Ų92128.6 Ų128.660%0.59769%0.69SS**THydrogen-bonded Turntrans-62.2-13.2-174.123-34.8000114.1Y369 V370P367-Y369 VanDerWaalsContact C-N 3.25Å; P367-Y369 PolarHBondContact O-N 3.48Å; P367-V370 PolarHBondContact O-N 2.87Å
368S37.6Very low39.9Very low55 Ų55131.7 Ų131.739%0.38568%0.683SS.*Hα-helixtrans-53-37.6170.358.70000113.4D366 V370D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 PolarHBondContact OD1-OG 3.42Å; D366-S368 PolarHBondContact OD2-OG 2.93Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact O-N 3.19Å
369Y40.6Very low39.7Very low196 Ų196136.8 Ų136.877%0.76970%0.695SS**Hα-helixtrans-75.8-12.4-174.2-85.9-91.7000115.5D366 P367D366-Y369 HydrophobicContact CB-CD2 4.49Å; D366-Y369 PolarHBondContact O-N 3.15Å; D366-Y369 VanDerWaalsContact O-N 3.15Å; P367-Y369 VanDerWaalsContact C-N 3.25Å; P367-Y369 PolarHBondContact O-N 3.48Å
370V47.1Very low39.3Very low96 Ų96138.5 Ų138.558%0.58271%0.705SS**Hα-helixtrans-92.8-23.4-174.3-177.70000112.4P367 S368P367-V370 PolarHBondContact O-N 2.87Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact O-N 3.19Å
371L42.9Very low38.9Very low132 Ų132136.8 Ų136.869%0.69170%0.696SS**Hα-helixtrans-99.2-17.6-172.3-74.7167.2000115.1
372E41.9Very low38.8Very low175 Ų175134.4 Ų134.482%0.81869%0.693SS**SBendtrans-91.6-6.7-177.8-71.1-159.8140.100115P374E372-P374 WeakPolarHBondContact O-CD 3.48Å
373K41.2Very low38.5Very low182 Ų182134.7 Ų134.779%0.79170%0.698SS**  trans-75.8111.2-176.8-155.9164.8-169.4169.50110.1L375K373-L375 PolarHBondContact O-N 2.93Å
374P38.1Very low38Very low108 Ų108133 Ų13370%0.70169%0.69SS**  trans-62.3140.7177.627-34.2000109.5E372E372-P374 WeakPolarHBondContact O-CD 3.48Å
375L41Very low37.8Very low116 Ų116129.9 Ų129.961%0.60769%0.689SS**  trans-52.6140.4177.6-69.9169.7000110.3K373 S377K373-L375 PolarHBondContact O-N 2.93Å; L375-S377 PolarHBondContact O-N 3.5Å
376P37.9Very low37.4Very low102 Ų102134.4 Ų134.466%0.66269%0.691SS**  trans-55.6109.2172.9-24.133.8000110.2Y378P376-Y378 HydrophobicContact CB-CE2 4.32Å; P376-Y378 WeakPolarHBondContact O-CD2 3.37Å; P376-Y378 PolarHBondContact O-N 2.9Å
377S33.5Very low37.5Very low94 Ų94139 Ų13966%0.65771%0.709SS**  trans-69.6101.6170.8-175.80000107.7L375 H379L375-S377 PolarHBondContact O-N 3.5Å; S377-H379 PolarHBondContact O-N 2.77Å; S377-H379 PolarHBondContact OG-CD2 2.65Å
378Y33.9Very low37.1Very low199 Ų199143.1 Ų143.178%0.7872%0.72SS**  trans-69.275.1167.9-76.3-87000109.3P376 N380P376-Y378 HydrophobicContact CB-CE2 4.32Å; P376-Y378 WeakPolarHBondContact O-CD2 3.37Å; P376-Y378 PolarHBondContact O-N 2.9Å; Y378-N380 PolarHBondContact O-N 3.31Å
379H34.8Very low37Very low147 Ų147149.1 Ų149.168%0.68174%0.741SS**  trans-64.193159.3-102.3-81.5000107.9S377 N381S377-H379 PolarHBondContact O-N 2.77Å; S377-H379 PolarHBondContact OG-CD2 2.65Å; H379-N381 PolarHBondContact O-N 2.99Å
380N35Very low36.7Very low133 Ų133150 Ų15071%0.71174%0.743SS**  trans-63.289.6165.3-85.1-12.2000108.4Y378 V382Y378-N380 PolarHBondContact O-N 3.31Å; N380-V382 HydrophobicContact CB-CG2 4.2Å; N380-V382 PolarHBondContact O-N 3.46Å
381N30.4Very low36.2Very low135 Ų135151.1 Ų151.172%0.72275%0.75SS**  trans-68.663.5166.6-74.8-19.5000109.8H379 F383H379-N381 PolarHBondContact O-N 2.99Å; N381-F383 PolarHBondContact O-N 2.74Å
382V35.9Very low35.6Very low126 Ų126154.9 Ų154.976%0.76476%0.755SS**  trans-92.786.4172.4-178.30000107.9N380N380-V382 HydrophobicContact CB-CG2 4.2Å; N380-V382 PolarHBondContact O-N 3.46Å
383F33.2Very low35.4Very low180 Ų180154.3 Ų154.379%0.78976%0.757SS**  trans9.5125.6152.9-79.6-96.9000118.5N381 S385N381-F383 PolarHBondContact O-N 2.74Å; F383-S385 PolarHBondContact O-N 2.87Å; F383-S385 VanDerWaalsContact O-N 3.09Å
384D29.9Very low34.9Very low137 Ų137152.4 Ų152.473%0.73376%0.755SS**  trans-45.9111.9153.1-179.713.1000110.5
385S37.9Very low34.4Very low103 Ų103152.3 Ų152.372%0.7276%0.757SS**  trans-155.198.2172.6-81.10000109.7F383 H387F383-S385 PolarHBondContact O-N 2.87Å; F383-S385 VanDerWaalsContact O-N 3.09Å; S385-H387 PolarHBondContact O-N 3.47Å
386R34.2Very low33.9Very low216 Ų216153.2 Ų153.282%0.81577%0.768SS**  trans-61.2101.4174.7-54.7169.4-168.31781.9110
387H38.4Very low33.5Very low195 Ų195153.8 Ų153.890%0.90377%0.774SS**  trans-165.4107.2147.3-95.1-60.9000110.5S385S385-H387 PolarHBondContact O-N 3.47Å
388H34.1Very low33.3Very low179 Ų179157 Ų15783%0.82978%0.783SS**  trans-82.6118.5168.6-80.1-52.6000110.4
389E35.3Very low33.2Very low180 Ų180156.1 Ų156.184%0.84179%0.786SS**  trans-124.4117.5151.6-168.2162.4-157.800109V391E389-V391 PolarHBondContact O-N 3.35Å
390R34.8Very low33Very low216 Ų216157.8 Ų157.882%0.81579%0.791SS**  trans-88.692.8-175.9-73.4179.3174.6140.5-2.7109.8R392R390-R392 PolarHBondContact O-N 2.88Å
391V35Very low33Very low119 Ų119156.7 Ų156.772%0.72179%0.791SS**  trans-69.7109.5166.7-1780000108.7E389 L393E389-V391 PolarHBondContact O-N 3.35Å; V391-L393 HydrophobicContact CG1-CG 4.41Å
392R31.4Very low33.1Very low210 Ų210159.2 Ų159.279%0.79280%0.799SS**  trans-77.7119.5164.9-69.3175107.7107.4-3.2107.7R390R390-R392 PolarHBondContact O-N 2.88Å
393L37.2Very low32.8Very low163 Ų163160 Ų16085%0.85380%0.799SS**  trans-97107.7159.3-71.4173.4000107.3V391V391-L393 HydrophobicContact CG1-CG 4.41Å
394D30.5Very low32.9Very low142 Ų142159.3 Ų159.376%0.75980%0.802SS**  trans-73.1155174.9-78.4-43.1000111.3
395S29.1Very low32.9Very low107 Ų107159.5 Ų159.575%0.74880%0.803SS**SBendtrans-65.8164.3-169.3-52.60000114.5
396T28.8Very low32.5Very low135 Ų135165.4 Ų165.483%0.82881%0.812SS**  trans83.980.516471.60000117.9
397S30Very low32.6Very low114 Ų114158.9 Ų158.980%0.79780%0.804SS**  trans173.189.2135.2380000111.9
398L30.1Very low32.2Very low161 Ų161156 Ų15684%0.84380%0.795SS**  trans-122.378.6157.4-80.8173.4000108.4F400L398-F400 PolarHBondContact O-N 3.4Å
399H30.8Very low32.2Very low180 Ų180153.2 Ų153.283%0.83379%0.794SS**  trans-63.2118.7149.7-96.2-86.5000106.5P401H399-P401 WeakPolarHBondContact O-CD 3.29Å
400F32Very low31.8Very low183 Ų183150.4 Ų150.480%0.80379%0.79SS**  trans-64.9126.4163.6-71.9-85.6000107.5L398 E402L398-F400 PolarHBondContact O-N 3.4Å; F400-E402 PolarHBondContact O-N 3.41Å; F400-E402 VanDerWaalsContact O-N 3.08Å
401P33.1Very low31.8Very low109 Ų109144.2 Ų144.271%0.70879%0.785SS**  trans-70106.1171.827.7-31.2000108.8H399 D403H399-P401 WeakPolarHBondContact O-CD 3.29Å; P401-D403 PolarHBondContact O-N 2.9Å
402E32.5Very low31.7Very low188 Ų188145.5 Ų145.588%0.87979%0.787SS**SBendtrans-65.384.2149-68.6177.6130.500106.8F400F400-E402 PolarHBondContact O-N 3.41Å; F400-E402 VanDerWaalsContact O-N 3.08Å
403D30.8Very low31.7Very low143 Ų143142.3 Ų142.377%0.76579%0.786SS**  trans177.882.5162.8-91.2-22.7000109.4P401P401-D403 PolarHBondContact O-N 2.9Å
404L35.9Very low31.6Very low165 Ų165141.2 Ų141.286%0.86478%0.78SS**  trans-140.960.6161.2-100.7172.7000108.6
405D30.1Very low31.7Very low141 Ų141140.2 Ų140.275%0.75478%0.781SS**  trans-66.1144.9160.9-104.7-30.2000110
406Y29.3Very low31.9Very low228 Ų228144.5 Ų144.589%0.89479%0.787SS**  trans48.684.3159.8-98.7-97.2000117.8
407A35.5Very low32Very low79 Ų79142.7 Ų142.765%0.65378%0.779SS**  trans-125.6106.2154.600000110C409A407-C409 PolarHBondContact O-N 2.86Å
408D29.2Very low32.2Very low134 Ų134143 Ų14372%0.71778%0.779SS**  trans-73.8103.1178.2-171.7-10.2000109.9T410D408-T410 PolarHBondContact OD1-OG1 2.83Å
409C34.3Very low32.6Very low120 Ų120144.9 Ų144.981%0.81178%0.78SS**  trans-106.561.5179-73.50000111.3A407 A411A407-C409 PolarHBondContact O-N 2.86Å; C409-A411 PolarHBondContact O-N 2.73Å
410T27.8Very low32.9Very low121 Ų121140.1 Ų140.174%0.74278%0.78SS**  trans-90.688.3167.840.60000111.3D408D408-T410 PolarHBondContact OD1-OG1 2.83Å
411A34.7Very low33.1Very low86 Ų86140.7 Ų140.771%0.71179%0.785SS**  trans-151.8101.5167.500000107.8C409C409-A411 PolarHBondContact O-N 2.73Å
412N31.8Very low33.2Very low146 Ų146143.9 Ų143.978%0.78179%0.79SS**  43.7127.675.8-79.113000114.9
413D31.8Very low33.6Very low144 Ų144143.1 Ų143.177%0.7779%0.792SS**  trans69.177.8158.5-50.7-34.6000119.3
414I35.5Very low34Very low140 Ų140141.1 Ų141.172%0.71878%0.784SS**  trans-131.6107.2146.3-51.3178.6000109.9F416I414-F416 HydrophobicContact CG2-CD2 3.8Å; I414-F416 HydrophobicContact CG2-CE2 3.46Å; I414-F416 VanDerWaalsContact CG2-CE2 3.46Å; I414-F416 HydrophobicContact CG2-CZ 4.26Å
415P31.8Very low34.2Very low121 Ų121137.5 Ų137.579%0.78677%0.766SS**  trans-90.4117.9175.233.1-29.8000111.2
416F34.9Very low34.8Very low197 Ų197136.8 Ų136.886%0.86476%0.761SS**  trans-103.7113166.7-82-74.6000110.7I414I414-F416 HydrophobicContact CG2-CD2 3.8Å; I414-F416 HydrophobicContact CG2-CE2 3.46Å; I414-F416 VanDerWaalsContact CG2-CE2 3.46Å; I414-F416 HydrophobicContact CG2-CZ 4.26Å
417S30.8Very low35.6Very low97 Ų97132.4 Ų132.468%0.67875%0.749SS**  trans-86.2147179.1-154.10000110.9
418P33.5Very low36.2Very low120 Ų120132.4 Ų132.478%0.77974%0.744SS**  trans-81.7136.4-17532.8-33.8000112.1
419F38.5Very low36.8Very low201 Ų201131.5 Ų131.588%0.88274%0.738SS**  trans-136133.5174.7-92.6-83.8000111.7
420G36.9Very low37.4Very low79 Ų79130.2 Ų130.281%0.81473%0.727SS**  trans92.376155.700000116.4
421E35.7Very low38.1Very low195 Ų195131.2 Ų131.291%0.91172%0.721SS**  trans-76.2118.3159.7-65.3175.9162.400109.8
422E36.8Very low38.3Very low176 Ų176134 Ų13482%0.82272%0.724SS**  trans-130.1106.6158.1-171.2168.2-163.800108.2V424E422-V424 PolarHBondContact O-N 2.78Å
423L39.2Very low38.6Very low173 Ų173132.3 Ų132.391%0.90672%0.723SS**  trans-78.287.3-177-74.3164.8000110.2D425L423-D425 PolarHBondContact O-N 2.8Å
424V40.8Very low38.9Very low100 Ų100131.1 Ų131.161%0.60672%0.716SS**  trans-74.7109.2166.4-179.70000108.6E422 L426 L429E422-V424 PolarHBondContact O-N 2.78Å; V424-L426 PolarHBondContact O-N 2.74Å; V424-L429 HydrophobicContact CG1-CD1 3.89Å
425D39.1Very low38.9Very low90 Ų90129 Ų12948%0.48171%0.713SS.*  trans-65.3114.4175.7175.317000110.8L423 H427 S428L423-D425 PolarHBondContact O-N 2.8Å; D425-H427 PolarHBondContact O-N 3.02Å; D425-H427 WeakPolarHBondContact OD1-CB 3.46Å; D425-H427 IonicContact OD1-CD2 3.77Å; D425-H427 IonicContact OD1-CG 3.89Å; D425-H427 PolarHBondContact OD1-N 3.17Å; D425-S428 PolarHBondContact O-N 3.07Å
426L44Very low39.2Very low126 Ų126131 Ų13166%0.6672%0.717SS**THydrogen-bonded Turntrans-64.1-22.7-176.5-155.772000112.5V424 S428 L429V424-L426 PolarHBondContact O-N 2.74Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.11Å; L426-L429 PolarHBondContact O-N 2.87Å
427H44.2Very low39.3Very low136 Ų136128.7 Ų128.763%0.6371%0.712SS**Hα-helixtrans-67.4-28174.8-74.1-76000112.9D425 L429 F431D425-H427 PolarHBondContact O-N 3.02Å; D425-H427 WeakPolarHBondContact OD1-CB 3.46Å; D425-H427 IonicContact OD1-CD2 3.77Å; D425-H427 IonicContact OD1-CG 3.89Å; D425-H427 PolarHBondContact OD1-N 3.17Å; H427-L429 VanDerWaalsContact C-N 3.29Å; H427-L429 PolarHBondContact O-N 3.23Å; H427-F431 WeakPolarHBondContact O-CD2 3.49Å
428S48.5Very low39.7Very low78 Ų78129.8 Ų129.855%0.54572%0.717SS.*Hα-helixtrans-72.7-20.7178.6-65.30000113.3D425 L426D425-S428 PolarHBondContact O-N 3.07Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.11Å
429L42.7Very low39.7Very low115 Ų115129.4 Ų129.460%0.60272%0.717SS**Hα-helixtrans-92.3-11.6-177.8-74.6168.2000114.5V424 L426 H427V424-L429 HydrophobicContact CG1-CD1 3.89Å; L426-L429 PolarHBondContact O-N 2.87Å; H427-L429 VanDerWaalsContact C-N 3.29Å; H427-L429 PolarHBondContact O-N 3.23Å
430V47.1Very low39.7Very low94 Ų94127.6 Ų127.657%0.5772%0.717SS**Hα-helixtrans-90.5-21.4-177-179.90000112.6
431F42.7Very low39.9Very low142 Ų142130.3 Ų130.362%0.62372%0.717SS**Hα-helixtrans-90.4-26.4-177.7-73-73.7000115H427 S433 I434H427-F431 WeakPolarHBondContact O-CD2 3.49Å; F431-S433 PolarHBondContact O-N 3.48Å; F431-S433 VanDerWaalsContact O-N 3.08Å; F431-I434 PolarHBondContact O-N 3.42Å; F431-I434 VanDerWaalsContact O-N 3.14Å
432D37.8Very low39.9Very low145 Ų145126.8 Ų126.878%0.77571%0.705SS**THydrogen-bonded Turntrans-73.50.7-175.8-83.6-3.1000115
433S38.9Very low40.2Very low109 Ų109127.1 Ų127.176%0.76271%0.706SS**THydrogen-bonded Turntrans-105.37.3171.9-64.40000114F431F431-S433 PolarHBondContact O-N 3.48Å; F431-S433 VanDerWaalsContact O-N 3.08Å
434I37Very low40.3Very low120 Ų120124.1 Ų124.162%0.61570%0.695SS**  trans-110.768.5-179.4-46.4179.7000110F431F431-I434 PolarHBondContact O-N 3.42Å; F431-I434 VanDerWaalsContact O-N 3.14Å
435S37Very low40.3Very low94 Ų94124.8 Ų124.866%0.65770%0.704SS**  trans-113.7143.316150.10000109.7
436D36.7Very low40Very low163 Ų163129.1 Ų129.187%0.87272%0.719SS**SBendtrans74.536.2174.7-55.8-18.5000119
437I38.2Very low39.8Very low149 Ų149129.2 Ų129.276%0.76472%0.721SS**  trans-126.5120.7159.8-55.7-178.8000110.5
438P38.1Very low39.8Very low121 Ų121128.9 Ų128.979%0.78673%0.73SS**  trans-70.2134.4-179.728-33.7000111.9N440P438-N440 PolarHBondContact O-N 2.91Å
439S33.7Very low39.7Very low111 Ų111128.4 Ų128.478%0.77673%0.731SS**SBendtrans-63.1111179.954.70000112.7
440N38.2Very low39.6Very low164 Ų164132.8 Ų132.888%0.87774%0.741SS**  trans-165.169.7155.6-93.4-29.4000108.3P438 D442P438-N440 PolarHBondContact O-N 2.91Å; N440-D442 PolarHBondContact O-N 3.43Å
441V42.1Very low39.2Very low136 Ų136132.8 Ų132.882%0.82474%0.738SS**  trans-87.9102.2165-179.90000106.6E443V441-E443 PolarHBondContact O-N 2.96Å
442D35.4Very low39.3Very low121 Ų121132.2 Ų132.265%0.64774%0.74SS**  trans-73.6112.6175-158.1-30.8000107.8N440 T444N440-D442 PolarHBondContact O-N 3.43Å; D442-T444 VanDerWaalsContact CG-OG1 3.28Å; D442-T444 PolarHBondContact O-N 2.97Å; D442-T444 VanDerWaalsContact OD1-CG2 3.25Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.29Å; D442-T444 PolarHBondContact OD1-OG1 3.44Å
443E41.8Very low39.8Very low183 Ų183128.4 Ų128.486%0.85573%0.725SS**THydrogen-bonded Turntrans-72.925.4-172.9-63.2-157.4131.700113.9V441V441-E443 PolarHBondContact O-N 2.96Å
444T43.1Very low40.4Very low110 Ų110128 Ų12868%0.67571%0.714SS**THydrogen-bonded Turntrans-101.59.2-17049.60000114D442D442-T444 VanDerWaalsContact CG-OG1 3.28Å; D442-T444 PolarHBondContact O-N 2.97Å; D442-T444 VanDerWaalsContact OD1-CG2 3.25Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.29Å; D442-T444 PolarHBondContact OD1-OG1 3.44Å
445S40.2Very low41Very low114 Ų114128.4 Ų128.480%0.79772%0.717SS**  trans-91.714.9-178.9700000115.7
446F33.2Very low41.5Very low181 Ų181130.2 Ų130.279%0.79472%0.716SS**SBendtrans-83.4120.8166.4-93.4-88.7000110.3P448F446-P448 WeakPolarHBondContact O-CD 3.44Å
447D39.7Very low42.1Very low128 Ų128129.5 Ų129.568%0.68471%0.708SS**  trans-68.1116.2176.2-170.5-16.3000109.4A449D447-A449 PolarHBondContact O-N 3.35Å
448P43Very low42.5Very low128 Ų128130 Ų13083%0.83171%0.706SS**THydrogen-bonded Turntrans-74.813.4-170.532.3-37.8000114.1F446 Y450F446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-Y450 VanDerWaalsContact C-N 3.31Å; P448-Y450 PolarHBondContact O-N 2.88Å
449A47.8Very low42.7Very low68 Ų68132.8 Ų132.856%0.56271%0.707SS**THydrogen-bonded Turntrans-77.9-9.1-179.100000114.7D447D447-A449 PolarHBondContact O-N 3.35Å
450Y40.5Very low43Very low207 Ų207135.2 Ų135.281%0.81273%0.733SS**  trans-138.1105.4178.2-75.3-85.4000110.9P448P448-Y450 VanDerWaalsContact C-N 3.31Å; P448-Y450 PolarHBondContact O-N 2.88Å
451D38.7Very low43.2Very low95 Ų95133.8 Ų133.851%0.50873%0.726SS.*  trans-73.4128.1165.6-165.7-30.2000108.6S453 D454D451-S453 PolarHBondContact O-N 3.37Å; D451-S453 VanDerWaalsContact O-N 3.13Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 3.24Å; D451-S453 PolarHBondContact OD1-OG 2.88Å; D451-D454 PolarHBondContact O-N 3.49Å
452I43.9Very low43.3Very low129 Ų129133.6 Ų133.666%0.66272%0.721SS**Hα-helixtrans-59.5-25.1177-63.4170.5000110.3D454 L455 M456I452-D454 PolarHBondContact O-N 3.44Å; I452-L455 PolarHBondContact O-N 3.31Å; I452-M456 WeakPolarHBondContact O-CG 2.99Å; I452-M456 PolarHBondContact O-N 3.1Å
453S48.9Very low43.7Very low65 Ų65134.3 Ų134.346%0.45573%0.725SS.*Hα-helixtrans-63.6-34.7174.9-46.20000113.6D451 M456 Q457D451-S453 PolarHBondContact O-N 3.37Å; D451-S453 VanDerWaalsContact O-N 3.13Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 3.24Å; D451-S453 PolarHBondContact OD1-OG 2.88Å; S453-M456 PolarHBondContact O-N 3.04Å; S453-Q457 PolarHBondContact O-N 3.18Å
454D51.8Low43.8Very low102 Ų102131.5 Ų131.555%0.54572%0.717SS.*Hα-helixtrans-72.8-32.5178.8-82.8-15.4000111.4D451 I452 M456D451-D454 PolarHBondContact O-N 3.49Å; I452-D454 PolarHBondContact O-N 3.44Å; D454-M456 VanDerWaalsContact C-N 3.28Å; D454-M456 PolarHBondContact O-N 3.44Å
455L49.9Very low43.8Very low127 Ų127132.8 Ų132.867%0.66572%0.72SS**Hα-helixtrans-70.4-26.9175.5-159.171.5000112.2I452I452-L455 PolarHBondContact O-N 3.31Å
456M46.8Very low44.1Very low133 Ų133134.1 Ų134.166%0.65572%0.715SS**Hα-helixtrans-78.8-26.3178.8-74.2-79.7-65.900113.6I452 S453 D454 H458 F459I452-M456 WeakPolarHBondContact O-CG 2.99Å; I452-M456 PolarHBondContact O-N 3.1Å; S453-M456 PolarHBondContact O-N 3.04Å; D454-M456 VanDerWaalsContact C-N 3.28Å; D454-M456 PolarHBondContact O-N 3.44Å; M456-H458 PolarHBondContact O-N 3.38Å; M456-H458 VanDerWaalsContact O-N 3.16Å; M456-F459 PolarHBondContact O-N 2.6Å
457Q48.5Very low44.9Very low147 Ų147130.7 Ų130.769%0.68771%0.709SS**THydrogen-bonded Turntrans-68.8-10-178.4-76.9-171.722.500114.5S453S453-Q457 PolarHBondContact O-N 3.18Å
458H48.3Very low45.3Very low159 Ų159130.9 Ų130.974%0.73671%0.711SS**THydrogen-bonded Turntrans-92.13.1177.5-66.1-29.8000114.4M456M456-H458 PolarHBondContact O-N 3.38Å; M456-H458 VanDerWaalsContact O-N 3.16Å
459F41.8Very low45.5Very low181 Ų181131.2 Ų131.279%0.79470%0.701SS**  trans-126.916.6-176.4-65.5-78.4000114.7M456M456-F459 PolarHBondContact O-N 2.6Å
460A38.7Very low45.2Very low161 Ų161136.9 Ų136.9100%1.33171%0.714SS**  trans-107.30179.600000113

Retrieved 460 of 460 residues in 114.8 ms (Link to these results)