A0A087XRF4_POEFO Loading...

F-box protein 5

AlphaFold DB , UniProt , Accession A0A087XRF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low38.4Very low241 Ų241155.3 Ų155.3100%1.18788%0.881SS**  0131.80-68.4178.2-93.100108.7
2K30.8Very low38Very low209 Ų209154.9 Ų154.991%0.90988%0.875SS**  trans-145.5126.4172.1-74.1-175.7177.2179.90106.9
3C36.1Very low37.6Very low128 Ų128154.4 Ų154.487%0.86588%0.878SS**PPolyproline II helixtrans-102.6125.7-177.5-60.10000110.3
4P49.6Very low37.4Very low120 Ų120155.5 Ų155.578%0.77988%0.875SS**PPolyproline II helixtrans-84.4143.2173.7-6.724.8000112.3
5T37.3Very low37.1Very low137 Ų137154.3 Ų154.384%0.8486%0.859SS**PPolyproline II helixtrans-80.5138.7166.2-48.80000110.4
6I46.1Very low36.8Very low159 Ų159154.9 Ų154.982%0.81585%0.85SS**  trans-122.5146.9168.7-60.5-177.6000109.2
7K34.7Very low36.7Very low196 Ų196152.5 Ų152.585%0.85285%0.847SS**  trans-98.7152.5-166.4-59.3172.5-179175.40112.4
8S39.3Very low37.9Very low128 Ų128150.2 Ų150.290%0.89584%0.84SS**  trans-76.8146.6167.3-47.30000112.2
9A35Very low37.5Very low103 Ų103151.5 Ų151.585%0.85184%0.844SS**  trans-146.4154.6165.600000110.3
10K41.5Very low37.4Very low211 Ų211147.8 Ų147.892%0.91783%0.834SS**  trans-96.3157.5178.6-67.8-179.4177179.80111.5
11G30.9Very low37Very low76 Ų76149.7 Ų149.778%0.78484%0.836SS**  trans-158.2132.7161.600000110.3
12N33.5Very low36.8Very low151 Ų151143 Ų14381%0.80782%0.819SS**  trans-110.2146.6179.9-64.2-1000110.3
13T33.5Very low36.9Very low148 Ų148137.9 Ų137.991%0.90882%0.815SS**  trans-154.8150.7147.55.30000112.2
14M34.6Very low36.8Very low170 Ų170136.2 Ų136.284%0.83781%0.811SS**  trans-91.7-177.1169.5-55.5155.872.400108.2
15E32.4Very low36.1Very low137 Ų137134.9 Ų134.964%0.6481%0.81SS**  cis-163.5177.512.6-147.6-152.1152.100110.7
16K32Very low36Very low165 Ų165135.8 Ų135.872%0.71781%0.805SS**  trans77154.6155.5-85.5174.9177.663.20122.5
17S35.3Very low35.5Very low113 Ų113132.1 Ų132.179%0.7979%0.793SS**  trans-142.2-158.7-174.3-54.10000108.7
18P58.8Low35.5Very low112 Ų112131 Ų13173%0.72779%0.788SS**  -122.4179.5-81.639-23.3000113.1
19L30.5Very low35.3Very low174 Ų174130.8 Ų130.891%0.91178%0.782SS**  trans173.2161.1156.7-113.486.6000107
20A34.8Very low35Very low77 Ų77134.2 Ų134.264%0.63679%0.785SS**  cis-164.3-173.4-14.400000110.8
21E29.3Very low34.5Very low188 Ų188134.7 Ų134.788%0.87978%0.782SS**  trans73.3123.9169.5-52.9-169116.700116.5
22A35.9Very low34.5Very low101 Ų101135.3 Ų135.384%0.83578%0.78SS**  cis101.1142.127.300000112.7
23A33.2Very low34.3Very low101 Ų101136.9 Ų136.984%0.83578%0.78SS**  cis-138.6-153.4-1.400000109
24A34Very low34.1Very low94 Ų94136.2 Ų136.278%0.77777%0.771SS**  cis-161.1-178.35.400000111.2
25A35.6Very low34.3Very low91 Ų91133.5 Ų133.575%0.75277%0.768SS**  trans62.6112.416800000118
26E34.2Very low34.8Very low156 Ų156132.2 Ų132.273%0.72977%0.772SS**  68.2136.655.4-66.2-137.7-158.400114.3K28E26-K28 IonicContact OE1-NZ 3.05Å; E26-K28 IonicContact OE2-NZ 2.76Å; E26-K28 PolarHBondContact OE2-NZ 2.98Å
27S36Very low34.8Very low83 Ų83133.9 Ų133.958%0.5878%0.779SS**  cis-167.3171.74.7-116.20000110.2
28K36Very low34.5Very low172 Ų172138.2 Ų138.275%0.74878%0.784SS**  cis-152.6-160.8-1.6-130.4147.7-166.2130.80109.1E26E26-K28 IonicContact OE1-NZ 3.05Å; E26-K28 IonicContact OE2-NZ 2.76Å; E26-K28 PolarHBondContact OE2-NZ 2.98Å
29V33.4Very low33.3Very low124 Ų124140.6 Ų140.675%0.75279%0.785SS**  trans-132.6152.9-175.1172.60000112.4Y31V29-Y31 HydrophobicContact CG1-CD2 4.45Å
30L30.5Very low33.7Very low175 Ų175138 Ų13892%0.91678%0.779SS**  trans-149.1148.9155.4-110171.8000112.2
31Y30.4Very low33.7Very low220 Ų220138.3 Ų138.386%0.86378%0.781SS**  trans-148.3128.6-172.3-120.9-75.8000111.3V29V29-Y31 HydrophobicContact CG1-CD2 4.45Å
32A30.1Very low34.5Very low89 Ų89135 Ų13574%0.73678%0.776SS**  trans-168.7123.316500000107.3
33K30.7Very low34.2Very low185 Ų185137.1 Ų137.180%0.80478%0.778SS**  64.5135.888.5-80.5-165.4167.5-154.50114
34D28.8Very low34.1Very low134 Ų134139.5 Ų139.572%0.71778%0.775SS**  cis-144.2-178.618-92.2-49.2000114
35S38.2Very low33.8Very low112 Ų112140.1 Ų140.178%0.78377%0.774SS**  trans-124.5175.2164.3-80.80000108.5
36P44.3Very low33.6Very low111 Ų111144.2 Ų144.272%0.72178%0.777SS**  cis-139.2-170.213.544.5-27.3000115.1
37K30.5Very low33.3Very low199 Ų199144.5 Ų144.587%0.86578%0.784SS**  trans-174.4133.3131.8-102.3150-170.41700116.3
38K29.9Very low33.1Very low205 Ų205149.1 Ų149.189%0.89179%0.789SS**  trans61119.4144.6-100.7-171.8173.5-173.10123
39E33.1Very low33.5Very low161 Ų161146.5 Ų146.575%0.75279%0.789SS**  trans-57.5165.4139.1-112.4-167.5119.500112.3
40P38.5Very low33.4Very low121 Ų121147.3 Ų147.379%0.78679%0.794SS**  cis-147.517649.243.1-23.5000118.8
41A35.3Very low33.4Very low82 Ų82141 Ų14168%0.67877%0.771SS**  trans-116.1177.3153.300000108.8
42P45.6Very low33.5Very low120 Ų120138.8 Ų138.878%0.77977%0.769SS**  cis-129.9-164.41.243.7-27000113.1
43V29.4Very low33.5Very low144 Ų144139.3 Ų139.387%0.87376%0.763SS**  trans-179.5166.7138142.90000111.6
44I32Very low33.6Very low152 Ų152136.5 Ų136.578%0.77976%0.762SS**  trans-111.9147.3-165.4-61.3155000112.4
45S28.3Very low33.6Very low106 Ų106134.5 Ų134.574%0.74175%0.754SS**  trans-160.6131.1143.8-79.90000107.3
46Q29.7Very low33.1Very low178 Ų178139.4 Ų139.483%0.83276%0.762SS**  50.1121.375.2-66.8-173.9-20.200111.7
47D28Very low32.4Very low161 Ų161143 Ų14386%0.86177%0.766SS**  -152.3-177.354.2-142-22.7000115.8
48R31.6Very low32.2Very low181 Ų181138.9 Ų138.968%0.68376%0.763SS**  trans-144.4150.9175.4-171.5-166.4179.1-176.73.9110.7G51R48-G51 PolarHBondContact NH2-O 2.93Å
49P44.5Very low32.2Very low117 Ų117135.6 Ų135.676%0.7676%0.76SS**  -140.3155.1129.726.1-7.5000116
50V32.3Very low32.1Very low140 Ų140137.6 Ų137.685%0.84877%0.766SS**  trans48.5107153.3-178.80000117.1
51G29.6Very low31.7Very low43 Ų43137.2 Ų137.244%0.44377%0.766SS.*  cis-164.1-133.910.600000112.5R48R48-G51 PolarHBondContact NH2-O 2.93Å
52Q32.8Very low31.4Very low174 Ų174138.7 Ų138.781%0.81377%0.771SS**  cis-151.5-123-0.5-155.1-135.755.200111.9
53T31.8Very low30.9Very low100 Ų100140.6 Ų140.661%0.61377%0.774SS**  trans-126.3155.8-166.8-1.50000110.2
54T31.6Very low31Very low126 Ų126139.2 Ų139.277%0.77377%0.77SS**  cis-140.5130.529.713.70000115.8
55V29.1Very low30.8Very low92 Ų92136.3 Ų136.356%0.55877%0.769SS**  trans47.8115136.7-176.30000120.6F57V55-F57 HydrophobicContact CG1-CD2 3.44Å; V55-F57 VanDerWaalsContact CG1-CD2 3.44Å; V55-F57 HydrophobicContact CG1-CE2 3.61Å; V55-F57 HydrophobicContact CG1-CG 4.45Å
56F27.1Very low30.9Very low215 Ų215138.3 Ų138.394%0.94378%0.777SS**  trans-120.3137.1137.3-102.4-93.7000107.9
57F29.5Very low31.2Very low186 Ų186137.8 Ų137.882%0.81677%0.773SS**  trans-99.8140.4171.8-86.9-77.8000111.3V55V55-F57 HydrophobicContact CG1-CD2 3.44Å; V55-F57 VanDerWaalsContact CG1-CD2 3.44Å; V55-F57 HydrophobicContact CG1-CE2 3.61Å; V55-F57 HydrophobicContact CG1-CG 4.45Å
58S27.3Very low31.6Very low113 Ų113138.1 Ų138.179%0.7978%0.775SS**  trans-134.1133.7172.2179.70000108.5
59T29.6Very low31.9Very low136 Ų136138 Ų13883%0.83478%0.78SS**  trans-128.4113.5176.741.20000110.2
60K30.4Very low31.3Very low202 Ų202141.3 Ų141.388%0.87879%0.785SS**  trans-112.1135.9154.9-81.7-172.3174.1-1770107.8
61S29.6Very low31.4Very low113 Ų113140.9 Ų140.979%0.7978%0.778SS**  trans-127.9141.6161.3-174.60000107.6
62S30.7Very low31.5Very low113 Ų113145.7 Ų145.779%0.7979%0.794SS**  trans-126.5128.7-176.6-600000108.6
63I33.5Very low31.4Very low161 Ų161142 Ų14283%0.82679%0.787SS**  trans-127.8154.9173.3-66.3-175.9000109.5
64S32Very low31.5Very low114 Ų114141 Ų14180%0.79780%0.797SS**  trans-55.2156.1-158.348.80000119.5
65A28.4Very low31.6Very low92 Ų92146.2 Ų146.276%0.7680%0.802SS**  trans-75.9166.8174.900000115.3
66V30.7Very low32.1Very low148 Ų148151 Ų15190%0.89782%0.819SS**  trans-140.1153144.6177.80000108.8
67H34.8Very low32.5Very low166 Ų166149.3 Ų149.377%0.76981%0.814SS**  trans-64.1147.7179.7-93.6-121.5000115.4
68N37.6Very low32.9Very low168 Ų168148.8 Ų148.890%0.89882%0.819SS**  -159170.8107.3-114.2-30.6000113.8
69K37.1Very low33.3Very low179 Ų179146.8 Ų146.878%0.77882%0.816SS**  trans-137.6129.3-160.1166.2-167.1171.7-172.30111.8
70E32.9Very low33.8Very low187 Ų187145.5 Ų145.587%0.87482%0.82SS**  trans165.6159.7153.8-97.1160.1-15300109.1
71N33.4Very low33.9Very low130 Ų130144 Ų14470%0.69582%0.821SS**  cis-166.6132.5-38.9173.830.2000108.6
72N31.4Very low33.9Very low144 Ų144147.4 Ų147.477%0.7782%0.824SS**  trans58.6166.8170-93.2-22000117
73S31.7Very low34.2Very low98 Ų98149.5 Ų149.569%0.68582%0.821SS**  cis-148.6143.9-21.839.90000108.6
74G34Very low34.1Very low79 Ų79149.3 Ų149.381%0.81481%0.811SS**  trans-77.6131.617600000112.2
75R33.6Very low34.2Very low235 Ų235152.2 Ų152.289%0.88781%0.81SS**  trans-141.4124.1155.8-82.4-165.5168177.5-3.9110.2
76E38.7Very low34.7Very low193 Ų193155.8 Ų155.890%0.90281%0.811SS**  trans-73.3141.2164.4-60.4162.4133.900108.8
77Q36Very low34.6Very low178 Ų178156.4 Ų156.483%0.83281%0.809SS**  trans-144.5122.2156.7-72.5-162.6-25.800108.8
78D38Very low35Very low175 Ų175153.3 Ų153.394%0.93681%0.806SS**  trans-63.3146.7164.2-75-63.4000110.5
79G34.6Very low35.3Very low71 Ų71148.9 Ų148.973%0.73280%0.8SS**  trans-152.8101.9175.500000110L81G79-L81 PolarHBondContact O-N 2.94Å
80A39.9Very low35.1Very low109 Ų109150.8 Ų150.890%0.90180%0.804SS**  trans-62.3128.3174.500000109.9
81L32.6Very low35.1Very low172 Ų172150.1 Ų150.190%0.90181%0.805SS**  trans-9898.6173.6-166.881.4000108.7G79G79-L81 PolarHBondContact O-N 2.94Å
82E30.1Very low35.4Very low184 Ų184149.7 Ų149.786%0.8681%0.813SS**  trans-69.9130.5172.5-166.1165.6-168.100109.7
83E37.6Very low35.6Very low157 Ų157150.1 Ų150.173%0.73481%0.814SS**  trans-93.1118.3-167.8-173.8170.3-14400110.9F85E83-F85 HydrophobicContact CG-CD2 4.16Å; E83-F85 HydrophobicContact CG-CE2 3.77Å
84Y31.7Very low35.6Very low156 Ų156152.8 Ų152.861%0.61282%0.816SS**  trans-126.9117.3-176.9-141.8-101.8000111.4E86 F327Y84-E86 HydrophobicContact CD1-CG 4.25Å; Y84-F327 WeakPolarHBondContact OH-CE1 3.46Å; Y84-F327 WeakPolarHBondContact OH-CZ 3.49Å
85F33.2Very low35.4Very low175 Ų175157.2 Ų157.277%0.76882%0.82SS**  trans-100.5119.5176.3-79.6-94.3000110.3E83E83-F85 HydrophobicContact CG-CD2 4.16Å; E83-F85 HydrophobicContact CG-CE2 3.77Å
86E39.6Very low35.5Very low167 Ų167151.3 Ų151.378%0.7882%0.816SS**  trans-102.5100.9168.8-67.6-172.7151.400109.8Y84 S88Y84-E86 HydrophobicContact CD1-CG 4.25Å; E86-S88 PolarHBondContact O-N 3.31Å
87D29.2Very low35.3Very low162 Ų162149.5 Ų149.587%0.86681%0.807SS**  trans-72.9121.3177-176.720.9000111.1G89D87-G89 PolarHBondContact O-N 2.82Å
88S42.4Very low35.3Very low101 Ų101148 Ų14871%0.70680%0.803SS**  trans-96.190.4-172.2-71.20000111.7E86 Y90E86-S88 PolarHBondContact O-N 3.31Å; S88-Y90 PolarHBondContact O-N 3.22Å
89G44.7Very low35.1Very low74 Ų74145.6 Ų145.676%0.76379%0.79SS**  trans-61.9120.2-179.100000114.3D87D87-G89 PolarHBondContact O-N 2.82Å
90Y32.5Very low35.1Very low219 Ų219150.9 Ų150.986%0.85980%0.795SS**  trans-143.680.3179-118.4-81.1000112.8S88S88-Y90 PolarHBondContact O-N 3.22Å
91L32.3Very low35Very low173 Ų173154.6 Ų154.691%0.90679%0.794SS**  trans-149.798165.8-77.4-176.3000111.1
92S39.6Very low34.9Very low122 Ų122150 Ų15085%0.85379%0.788SS**  trans-162.162.9166.5-820000113.1
93L34.9Very low35Very low152 Ų152149.2 Ų149.280%0.79679%0.789SS**  trans-141.3146.2154.1-62.4174.8000105.3
94Q32.3Very low35.1Very low155 Ų155151.2 Ų151.272%0.72480%0.799SS**  cis-128161.8-0-75.782-2.200110.2
95N30.1Very low35.4Very low171 Ų171153.1 Ų153.191%0.91481%0.813SS**  trans-169.592.1141.6-104.3-14.1000110.3
96S35.9Very low35.3Very low112 Ų112154.6 Ų154.678%0.78382%0.822SS**  trans-86.1103.2165.5520000108.7
97H33.6Very low35Very low155 Ų155153 Ų15372%0.71882%0.819SS**  trans-66.7143.4170.6-167.1-104.8000109.7D99H97-D99 IonicContact CE1-OD1 3.22Å; H97-D99 IonicContact CG-OD1 3.8Å; H97-D99 IonicContact ND1-OD1 2.69Å; H97-D99 PolarHBondContact ND1-OD1 3.36Å
98I35.9Very low35.2Very low147 Ų147152.1 Ų152.175%0.75481%0.81SS**  trans-100.4111170.6-63.2174.3000105.9
99D35.4Very low34.7Very low124 Ų124155.1 Ų155.166%0.66382%0.816SS**  trans-75.8142.3176.8-62.6-33000110.4H97H97-D99 IonicContact CE1-OD1 3.22Å; H97-D99 IonicContact CG-OD1 3.8Å; H97-D99 IonicContact ND1-OD1 2.69Å; H97-D99 PolarHBondContact ND1-OD1 3.36Å
100H33.7Very low33.9Very low182 Ų182155.6 Ų155.684%0.84381%0.813SS**  trans-134.4114.1-171.6-156.656.3000108.2
101H37.4Very low33.7Very low187 Ų187153.8 Ų153.887%0.86681%0.812SS**  trans-150.1142.4-173.9-86.4-67.3000110.7
102G31.5Very low33.4Very low75 Ų75149.9 Ų149.977%0.77380%0.796SS**  trans100.784.1163.700000114.7
103D32Very low33.2Very low168 Ų168151.3 Ų151.390%0.89879%0.788SS**  trans-85.3123.7153.5-57.2-69.3000107.9
104E39.7Very low33Very low199 Ų199152.6 Ų152.693%0.9379%0.79SS**  trans-138.3135160.5-70.6-168.9153.100108.4
105E36.6Very low32.6Very low196 Ų196148.2 Ų148.292%0.91679%0.787SS**  trans-99.4133.8179.8-60-179.8132.700110.2
106E32.8Very low32.6Very low205 Ų205150.3 Ų150.396%0.95879%0.788SS**  trans-159.8175.2137.5-123.4178.6175.700111.4
107D33.1Very low32.1Very low133 Ų133155.9 Ų155.971%0.71179%0.792SS**  trans-119176.9-143.6-153.2-29.7000113.7
108H33.1Very low32Very low144 Ų144155.5 Ų155.567%0.66780%0.795SS**  trans99.2118.3148.4-65.2-10.7000123
109I31.3Very low31.6Very low165 Ų165153.6 Ų153.685%0.84679%0.794SS**  trans86.2154.9133.9-67.1169.1000117.9
110A28.9Very low31.2Very low84 Ų84151.8 Ų151.869%0.69480%0.797SS**  trans-131.7-170.9-160.700000112.5
111E26.8Very low30.9Very low181 Ų181148 Ų14885%0.84679%0.79SS**  trans76.3162.7173.7-55.7-152107.500118.3
112T27.1Very low30.4Very low91 Ų91146.4 Ų146.456%0.55879%0.788SS**  cis-163.4167.3-45.2-69.30000105.8
113H34.3Very low30.6Very low151 Ų151148.3 Ų148.370%0.69979%0.79SS**  trans75.6158168.5-47.8-86.2000116.4
114Q30.6Very low31.2Very low179 Ų179145.7 Ų145.784%0.83678%0.782SS**  cis-166.9164.8-25.1-101.9172.618.400105.1
115G25.3Very low30.9Very low64 Ų64141.1 Ų141.166%0.6677%0.772SS**  cis-162.4-171.91.600000108.1
116K30.5Very low30.6Very low214 Ų214140.6 Ų140.693%0.9377%0.767SS**  -165168.765.6-88.4168.6174.9168.60111.5
117R25.6Very low30.5Very low230 Ų230135.5 Ų135.587%0.86875%0.753SS**  trans-63.2165.1169.6-61.7177.3170.9-173.8-3.5111.2
118L30Very low30.5Very low147 Ų147136.8 Ų136.877%0.7775%0.754SS**  cis-152.5144.744.2-73.9160000109.4
119S27.9Very low30.3Very low107 Ų107137.3 Ų137.375%0.74876%0.757SS**  54.9135.982.3-47.60000115.8
120A27.5Very low30.3Very low86 Ų86139 Ų13971%0.71175%0.753SS**  cis-171.3164.2-14.800000112.2
121S27.7Very low30.3Very low102 Ų102140.7 Ų140.771%0.71376%0.755SS**  trans82.5148147.979.60000123.2
122N26.9Very low30.3Very low153 Ų153141.1 Ų141.182%0.81875%0.749SS**  trans83.6113.6151.6-58.9-21.3000122.4
123S34.2Very low30.6Very low115 Ų115144.1 Ų144.180%0.80476%0.76SS**  trans-79.8-179.3159-40.80000111.5
124P45.2Very low30.3Very low113 Ų113142.2 Ų142.273%0.73476%0.764SS**  -161.1165.391.741.1-21.4000119.7
125S33.2Very low30.5Very low104 Ų104143.1 Ų143.173%0.72777%0.765SS**  trans74.3163149.882.40000118.7
126K31.7Very low31.3Very low185 Ų185146.2 Ų146.280%0.80477%0.773SS**  cis-157.6154.312.3-146160.3-177.1177.80112.5
127C29Very low31.1Very low98 Ų98139.7 Ų139.766%0.66277%0.767SS**  trans18.1155.1147.2-630000123
128Q34.2Very low31.4Very low159 Ų159134 Ų13474%0.74376%0.762SS**  cis-169.6170.45.7-122.9161.6-23.200113.4
129Q29.3Very low31.5Very low156 Ų156135.4 Ų135.473%0.72977%0.77SS**  trans56115.4157.7-110.3119.4-66.500120.1
130R30.9Very low31.6Very low199 Ų199134.5 Ų134.575%0.75177%0.769SS**  78.611761.9-160.1-178.3-148.7-173.28.2112.9
131T29.4Very low31.6Very low121 Ų121137.4 Ų137.474%0.74278%0.777SS**  -166.3135.790.8-70.10000115
132R26.8Very low31.8Very low189 Ų189137 Ų13771%0.71377%0.774SS**  trans6140.1153.5-45.3-179.7-169.4-150.72.8119.7
133I31.9Very low31.9Very low155 Ų155136 Ų13680%0.79577%0.774SS**  cis67.4120.346.7-48.6165.2000110.7
134S29.8Very low32.1Very low111 Ų111135.7 Ų135.778%0.77677%0.769SS**  -159.8175.965.2-55.90000115.4
135F33.8Very low31.6Very low198 Ų198137.2 Ų137.287%0.86878%0.776SS**  trans-73.5167.9172.7-60.6-95.2000114.7
136P41.3Very low31.4Very low128 Ų128138 Ų13883%0.83177%0.773SS**  -128.7-179.486.340.3-32.2000112.7
137G28.1Very low31.5Very low77 Ų77140.1 Ų140.179%0.79478%0.775SS**  cis-169.3174.80.700000111.1
138S30.1Very low31.8Very low111 Ų111143.7 Ų143.778%0.77678%0.782SS**  trans-99139.8-170.2-179.80000114.5
139L32.8Very low31.6Very low177 Ų177139.4 Ų139.493%0.92778%0.78SS**  trans-146144.8143.5-80-173.4000109.9
140A30.6Very low32Very low88 Ų88143.6 Ų143.673%0.72779%0.79SS**  trans-131.5141.2176.500000110.9
141V28Very low32.1Very low147 Ų147139.3 Ų139.389%0.89179%0.79SS**  trans-136149.1170.7177.50000107.4
142S30.6Very low32.6Very low93 Ų93139.7 Ų139.765%0.6579%0.792SS**  trans-137.9170.6-165.8-68.60000113.2
143T30.3Very low32.9Very low132 Ų132135.4 Ų135.481%0.8180%0.797SS**  trans75.6160.1166.678.10000116.8
144P37.6Very low33.2Very low108 Ų108132.6 Ų132.670%0.70180%0.797SS**  cis-128165.1-38.128.5-11.5000113
145V33.8Very low33.5Very low145 Ų145135.5 Ų135.588%0.87980%0.803SS**  trans-104.7106.5162.8177.40000107.8
146D29.3Very low33.7Very low122 Ų122131.1 Ų131.165%0.65280%0.797SS**  trans-83153.8-176.7-140.2-45000112.9H148D146-H148 IonicContact OD1-CE1 3.89Å; D146-H148 IonicContact OD1-ND1 2.64Å
147R34.6Very low33.3Very low229 Ų229130.5 Ų130.586%0.86480%0.796SS**  trans-123.8100.1-177.6-83-177.4170172.4-2.1110.7
148H34.3Very low34.1Very low173 Ų173133.2 Ų133.280%0.80180%0.797SS**  trans-117.2143.5158.3-53.9-24.8000108.2D146D146-H148 IonicContact OD1-CE1 3.89Å; D146-H148 IonicContact OD1-ND1 2.64Å
149G30.2Very low34.5Very low69 Ų69133.8 Ų133.871%0.71180%0.798SS**  cis154.395.92.100000107.2S151G149-S151 PolarHBondContact O-N 2.67Å
150R38.7Very low35Very low244 Ų244131.8 Ų131.892%0.92179%0.789SS**  trans-72.295.7-172.7-178.9-177.1-74-147.1-2.2110
151S32.4Very low35.3Very low109 Ų109136 Ų13676%0.76279%0.793SS**  trans-93.9127165.9-170.80000110.2G149G149-S151 PolarHBondContact O-N 2.67Å
152T38.8Very low36.1Very low129 Ų129136.2 Ų136.279%0.79178%0.784SS**  trans-97.7105.8172.446.90000109.5
153A35.1Very low37Very low98 Ų98140.1 Ų140.181%0.8179%0.791SS**  trans-124.4114.4167.100000108.6
154A37.6Very low37.8Very low97 Ų97140.3 Ų140.380%0.80279%0.792SS**  trans-94.2135.6164.100000108.2
155L35.3Very low38.7Very low171 Ų171138.5 Ų138.590%0.89578%0.779SS**  -176.7167.5127.2-97.1168.3000110.4
156S38.3Very low39.7Very low106 Ų106134.9 Ų134.974%0.74176%0.759SS**  trans-67.7131.4-168.252.20000115.3
157S33.9Very low41.3Very low115 Ų115135.2 Ų135.280%0.80476%0.761SS**  trans-148117.8150.5-68.80000109P159S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å
158T44.2Very low43.1Very low135 Ų135129.2 Ų129.283%0.82875%0.745SS**  trans-87.2110.6170.444.90000110.1N160T158-N160 VanDerWaalsContact C-N 3.32Å; T158-N160 PolarHBondContact O-N 2.85Å
159P38.1Very low45Very low122 Ų122123.6 Ų123.679%0.79272%0.724SS**  trans-81.982.5176.6-1.121.7000108.5S157 H161S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-H161 VanDerWaalsContact C-N 3.27Å; P159-H161 PolarHBondContact O-N 2.82Å
160N44Very low47.4Very low136 Ų136124 Ų12473%0.72771%0.709SS**  trans-74.783.4172.4-174.531000109.4T158T158-N160 VanDerWaalsContact C-N 3.32Å; T158-N160 PolarHBondContact O-N 2.85Å
161H35.3Very low49.5Very low175 Ų175115.3 Ų115.381%0.8168%0.681SS**  trans-129.7118.1174.9-119.3-75.9000111.2P159 H163P159-H161 VanDerWaalsContact C-N 3.27Å; P159-H161 PolarHBondContact O-N 2.82Å; H161-H163 PolarHBondContact O-N 3.34Å
162H46.7Very low51.9Low153 Ų153114.7 Ų114.771%0.70866%0.661SS**  trans-61.5123.7167-51.6-81.6000108.9
163H48.4Very low54.1Low174 Ų174110 Ų11081%0.80663%0.63SS**  trans159.976.2146.6-83.6-56.1000111.8H161H161-H163 PolarHBondContact O-N 3.34Å
164V47.6Very low56.6Low137 Ų137110.6 Ų110.683%0.8362%0.616SS**  trans-126.897147.4-177.50000106.8P166V164-P166 WeakPolarHBondContact O-CD 3.42Å
165T55.8Low59.1Low69 Ų69110.6 Ų110.642%0.42360%0.599SS.*  trans-65.2119.5167.853.70000107.4N167 R172T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 PolarHBondContact O-OD1 3.45Å; T165-N167 PolarHBondContact OG1-OD1 3.45Å; T165-R172 PolarHBondContact OG1-NH2 2.98Å
166P54.9Low61.6Low69 Ų69103.2 Ų103.245%0.44856%0.563SS.*  trans-70.7109.2-17829.6-34.2000108V164 L168 L171V164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-L168 PolarHBondContact O-N 3.21Å; P166-L171 HydrophobicContact CB-CD1 3.62Å; P166-L171 HydrophobicContact CG-CB 4.27Å; P166-L171 HydrophobicContact CG-CD1 3.46Å; P166-L171 VanDerWaalsContact CG-CD1 3.46Å; P166-L171 HydrophobicContact CG-CG 4.48Å
167N63.7Low64.1Low130 Ų13098.9 Ų98.970%0.69553%0.532SS*.  trans-75.929.5-171.7-67.9-36000113.5T165T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 PolarHBondContact O-OD1 3.45Å; T165-N167 PolarHBondContact OG1-OD1 3.45Å
168L71.4Confident66.7Low103 Ų10396.6 Ų96.654%0.53952%0.515SS..  trans-82.2125.1173.7-66.9168.6000109P166 I170 L171 R172P166-L168 PolarHBondContact O-N 3.21Å; L168-I170 HydrophobicContact CB-CG2 4.26Å; L168-I170 PolarHBondContact O-N 2.8Å; L168-I170 VanDerWaalsContact O-N 3.11Å; L168-L171 HydrophobicContact CB-CD1 4.23Å; L168-L171 HydrophobicContact CB-CG 4.39Å; L168-L171 HydrophobicContact CD1-CD1 3.96Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-R172 PolarHBondContact O-N 2.99Å
169P75.1Confident68.9Low55 Ų5594.1 Ų94.136%0.35749%0.494SS..Hα-helixtrans-54-34.4-178.8-29.736.1000114.2L171 R172 F173 P204P169-L171 VanDerWaalsContact C-N 3.34Å; P169-L171 PolarHBondContact O-N 3.3Å; P169-R172 PolarHBondContact O-N 3.36Å; P169-F173 WeakPolarHBondContact O-CB 3.34Å; P169-F173 PolarHBondContact O-N 2.69Å; P169-P204 HydrophobicContact CB-CG 4.19Å; P169-P204 HydrophobicContact CG-CG 4.38Å
170I80.9Confident71.3Confident76 Ų7691.8 Ų91.839%0.3947%0.473SS..Hα-helixtrans-64.8-32.8178.3-170.9161.6000113.5L168 F173 Q174 V208L168-I170 HydrophobicContact CB-CG2 4.26Å; L168-I170 PolarHBondContact O-N 2.8Å; L168-I170 VanDerWaalsContact O-N 3.11Å; I170-F173 PolarHBondContact O-N 3.48Å; I170-Q174 WeakPolarHBondContact O-CB 3.48Å; I170-Q174 PolarHBondContact O-N 2.93Å; I170-V208 HydrophobicContact CB-CG1 4.28Å; I170-V208 HydrophobicContact CB-CG2 4.08Å; I170-V208 HydrophobicContact CD1-CG1 4.05Å; I170-V208 HydrophobicContact CG2-CG1 4.37Å
171L82Confident73.5Confident63 Ų6386.6 Ų86.633%0.3345%0.445SS..Hα-helixtrans-79.6-30.8178.9-66.4173.3000111.7P166 L168 P169 Q175P166-L171 HydrophobicContact CB-CD1 3.62Å; P166-L171 HydrophobicContact CG-CB 4.27Å; P166-L171 HydrophobicContact CG-CD1 3.46Å; P166-L171 VanDerWaalsContact CG-CD1 3.46Å; P166-L171 HydrophobicContact CG-CG 4.48Å; L168-L171 HydrophobicContact CB-CD1 4.23Å; L168-L171 HydrophobicContact CB-CG 4.39Å; L168-L171 HydrophobicContact CD1-CD1 3.96Å; L168-L171 PolarHBondContact O-N 2.8Å; P169-L171 VanDerWaalsContact C-N 3.34Å; P169-L171 PolarHBondContact O-N 3.3Å; L171-Q175 WeakPolarHBondContact O-CB 3.45Å; L171-Q175 PolarHBondContact O-N 2.82Å
172R81.9Confident76.2Confident95 Ų9581.5 Ų81.536%0.35843%0.426SS..Hα-helixtrans-67.9-39.8168.3-63.7-62.7-170.2162.15111.8T165 L168 P169 A176 Y203T165-R172 PolarHBondContact OG1-NH2 2.98Å; L168-R172 PolarHBondContact O-N 2.99Å; P169-R172 PolarHBondContact O-N 3.36Å; R172-A176 WeakPolarHBondContact O-CB 3.04Å; R172-A176 PolarHBondContact O-N 3.31Å; R172-Y203 HydrophobicContact CB-CD1 4.37Å; R172-Y203 HydrophobicContact CB-CE1 3.82Å
173F86.6Confident78.2Confident32 Ų3279.1 Ų79.114%0.1441%0.414CS..Hα-helixtrans-62.4-48.6171.7168.7-110.2000111.9P169 I170 Q175 A176 V177 I196 I199 A200 Y203 L205P169-F173 WeakPolarHBondContact O-CB 3.34Å; P169-F173 PolarHBondContact O-N 2.69Å; I170-F173 PolarHBondContact O-N 3.48Å; F173-Q175 VanDerWaalsContact C-N 3.33Å; F173-Q175 PolarHBondContact O-N 2.71Å; F173-A176 PolarHBondContact O-N 3.23Å; F173-V177 HydrophobicContact CD2-CG2 3.92Å; F173-V177 HydrophobicContact CE1-CG2 4.14Å; F173-V177 HydrophobicContact CE2-CG2 3.45Å; F173-V177 VanDerWaalsContact CE2-CG2 3.45Å; F173-V177 HydrophobicContact CG-CG2 4.44Å; F173-V177 HydrophobicContact CZ-CG2 3.59Å; F173-V177 WeakPolarHBondContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.85Å; F173-I196 HydrophobicContact CE2-CG2 4.49Å; F173-I196 HydrophobicContact CZ-CG2 3.86Å; F173-I199 HydrophobicContact CD2-CG2 3.82Å; F173-I199 HydrophobicContact CE2-CB 4.21Å; F173-I199 HydrophobicContact CE2-CG2 3.89Å; F173-A200 HydrophobicContact CE2-CB 3.85Å; F173-A200 HydrophobicContact CZ-CB 4.14Å; F173-Y203 HydrophobicContact CB-CD1 4.24Å; F173-Y203 HydrophobicContact CB-CD2 4.1Å; F173-Y203 HydrophobicContact CB-CG 3.89Å; F173-Y203 AromaticContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CG 4.29Å; F173-Y203 HydrophobicContact CG-CD2 4.47Å; F173-L205 HydrophobicContact CB-CD2 3.85Å; F173-L205 HydrophobicContact CD1-CD1 3.8Å; F173-L205 HydrophobicContact CD1-CD2 3.92Å; F173-L205 HydrophobicContact CD2-CD1 3.87Å; F173-L205 HydrophobicContact CE1-CD1 3.76Å; F173-L205 HydrophobicContact CE2-CD1 3.84Å; F173-L205 HydrophobicContact CG-CD1 3.85Å; F173-L205 HydrophobicContact CG-CD2 3.85Å; F173-L205 HydrophobicContact CG-CG 4.36Å; F173-L205 HydrophobicContact CZ-CD1 3.77Å
174Q87.2Confident80.1Confident110 Ų11071.6 Ų71.651%0.51438%0.381SS..Hα-helixtrans-57.7-45.1176.9-177.1179.9-4.900111.4I170 V177 C178I170-Q174 WeakPolarHBondContact O-CB 3.48Å; I170-Q174 PolarHBondContact O-N 2.93Å; Q174-V177 PolarHBondContact O-N 3.34Å; Q174-C178 WeakPolarHBondContact O-CB 3.47Å; Q174-C178 PolarHBondContact O-N 2.83Å; Q174-C178 PolarHBondContact O-SG 3.25Å
175Q88.9Confident82Confident96 Ų9670.1 Ų70.145%0.44936%0.361SS..Hα-helixtrans-57.7-51.2174.4-177.3-176.1-13.300111.5L171 F173 V177 C178 E179L171-Q175 WeakPolarHBondContact O-CB 3.45Å; L171-Q175 PolarHBondContact O-N 2.82Å; F173-Q175 VanDerWaalsContact C-N 3.33Å; F173-Q175 PolarHBondContact O-N 2.71Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; Q175-V177 PolarHBondContact O-N 3.22Å; Q175-C178 PolarHBondContact O-N 3.06Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.1Å; Q175-E179 PolarHBondContact NE2-OE1 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.17Å; Q175-E179 PolarHBondContact O-N 3.43Å
176A88.1Confident83.7Confident16 Ų1675 Ų7513%0.13238%0.377CS..Hα-helixtrans-62.1-38.3-179.800000112.9R172 F173 E179 E180 I199 Y203R172-A176 WeakPolarHBondContact O-CB 3.04Å; R172-A176 PolarHBondContact O-N 3.31Å; F173-A176 PolarHBondContact O-N 3.23Å; A176-E179 PolarHBondContact O-N 3.33Å; A176-E180 PolarHBondContact O-N 3.18Å; A176-I199 HydrophobicContact CB-CG2 3.98Å; A176-Y203 HydrophobicContact CB-CE2 3.89Å; A176-Y203 WeakPolarHBondContact CB-OH 3.41Å
177V90.4Very high85.3Confident15 Ų1580.2 Ų80.29%0.09139%0.392CS..Hα-helixtrans-63.4-48173167.70000111F173 Q174 Q175 E179 E180 L181 I196 I199F173-V177 HydrophobicContact CD2-CG2 3.92Å; F173-V177 HydrophobicContact CE1-CG2 4.14Å; F173-V177 HydrophobicContact CE2-CG2 3.45Å; F173-V177 VanDerWaalsContact CE2-CG2 3.45Å; F173-V177 HydrophobicContact CG-CG2 4.44Å; F173-V177 HydrophobicContact CZ-CG2 3.59Å; F173-V177 WeakPolarHBondContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.85Å; Q174-V177 PolarHBondContact O-N 3.34Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; Q175-V177 PolarHBondContact O-N 3.22Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.36Å; V177-E180 PolarHBondContact O-N 3.49Å; V177-L181 HydrophobicContact CG1-CD1 3.64Å; V177-L181 HydrophobicContact CG1-CG 4.18Å; V177-L181 VanDerWaalsContact O-CB 3.25Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3Å; V177-I196 HydrophobicContact CG1-CD1 4.09Å; V177-I196 HydrophobicContact CG1-CG1 4.01Å; V177-I196 HydrophobicContact CG2-CG2 4.12Å; V177-I199 HydrophobicContact CG2-CB 4.34Å; V177-I199 HydrophobicContact CG2-CD1 4.05Å; V177-I199 HydrophobicContact CG2-CG2 4.07Å
178C89.4Confident86.3Confident67 Ų6778.6 Ų78.645%0.45338%0.383SS..Hα-helixtrans-61.9-39.1177.1-71.20000112.4Q174 Q175 T182Q174-C178 WeakPolarHBondContact O-CB 3.47Å; Q174-C178 PolarHBondContact O-N 2.83Å; Q174-C178 PolarHBondContact O-SG 3.25Å; Q175-C178 PolarHBondContact O-N 3.06Å; C178-T182 VanDerWaalsContact O-CB 3.27Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 PolarHBondContact O-N 3.25Å; C178-T182 PolarHBondContact O-OG1 3.4Å
179E90.8Very high87.1Confident83 Ų8383.7 Ų83.739%0.38840%0.396SS..Hα-helixtrans-65.4-48.7176.5-75.8-179.8-154.400112.4Q175 A176 V177 T182 K183Q175-E179 WeakPolarHBondContact CG-OE1 3.1Å; Q175-E179 PolarHBondContact NE2-OE1 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.17Å; Q175-E179 PolarHBondContact O-N 3.43Å; A176-E179 PolarHBondContact O-N 3.33Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.36Å; E179-T182 WeakPolarHBondContact O-CB 3.15Å; E179-T182 PolarHBondContact O-N 3.39Å; E179-K183 VanDerWaalsContact O-CG 3.3Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 2.79Å
180E88.9Confident87.6Confident73 Ų7390.6 Ų90.634%0.34142%0.415SS..Hα-helixtrans-69.7-37.8178.5-72.2-54.2136.600112.8A176 V177 T182 K183 S184 V195 I199A176-E180 PolarHBondContact O-N 3.18Å; V177-E180 PolarHBondContact O-N 3.49Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.98Å; E180-K183 PolarHBondContact O-N 2.88Å; E180-K183 WeakPolarHBondContact OE1-CD 3.42Å; E180-K183 WeakPolarHBondContact OE1-CE 3.35Å; E180-K183 IonicContact OE1-NZ 2.67Å; E180-K183 PolarHBondContact OE1-NZ 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 2.82Å; E180-V195 HydrophobicContact CB-CG1 4.21Å; E180-I199 HydrophobicContact CB-CD1 3.69Å; E180-I199 HydrophobicContact CG-CD1 3.77Å; E180-I199 HydrophobicContact CG-CG1 4.47Å
181L90.1Very high87.8Confident27 Ų2793 Ų9314%0.14142%0.42CS..Hα-helixtrans-61-40.6171.8-72.9176.9000110.9V177 S184 Y185 Y191 I196V177-L181 HydrophobicContact CG1-CD1 3.64Å; V177-L181 HydrophobicContact CG1-CG 4.18Å; V177-L181 VanDerWaalsContact O-CB 3.25Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3Å; L181-S184 PolarHBondContact O-N 3.18Å; L181-S184 PolarHBondContact O-OG 3.32Å; L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.03Å; L181-Y191 HydrophobicContact CB-CD1 4.03Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CD2-CD1 4.42Å; L181-I196 HydrophobicContact CD1-CD1 4.3Å
182T91.3Very high87.9Confident68 Ų6893 Ų9342%0.41742%0.42SS..Hα-helixtrans-63.7-40.4174.1-60.10000112.2C178 E179 E180 K186C178-T182 VanDerWaalsContact O-CB 3.27Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 PolarHBondContact O-N 3.25Å; C178-T182 PolarHBondContact O-OG1 3.4Å; E179-T182 WeakPolarHBondContact O-CB 3.15Å; E179-T182 PolarHBondContact O-N 3.39Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.98Å; T182-K186 HydrophobicContact CG2-CD 4.29Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.22Å; T182-K186 PolarHBondContact O-N 2.98Å
183K89Confident88.1Confident103 Ų10395.1 Ų95.145%0.44843%0.432SS..Hα-helixtrans-64.9-44.4174.3-67.4164.6-154.6170.90111.2E179 E180 Y185 K186 K187E179-K183 VanDerWaalsContact O-CG 3.3Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 2.79Å; E180-K183 PolarHBondContact O-N 2.88Å; E180-K183 WeakPolarHBondContact OE1-CD 3.42Å; E180-K183 WeakPolarHBondContact OE1-CE 3.35Å; E180-K183 IonicContact OE1-NZ 2.67Å; E180-K183 PolarHBondContact OE1-NZ 3.3Å; K183-Y185 PolarHBondContact O-N 3.4Å; K183-K186 PolarHBondContact O-N 3.42Å; K183-K187 PolarHBondContact O-N 3.2Å
184S87.2Confident88Confident16 Ų1697.1 Ų97.111%0.11245%0.45CS..Hα-helixtrans-61.3-42.5177.1790000111.8E180 L181 K187 N188 R190 D192E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 2.82Å; L181-S184 PolarHBondContact O-N 3.18Å; L181-S184 PolarHBondContact O-OG 3.32Å; S184-K187 PolarHBondContact O-N 3.14Å; S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 PolarHBondContact O-N 3.47Å; S184-R190 CarbonylContact C-O 3.28Å; S184-D192 PolarHBondContact OG-N 2.91Å
185Y89Confident87.9Confident106 Ų10693.5 Ų93.542%0.41644%0.435SS..Hα-helixtrans-67.2-42.7177.8-171.8-93.4000112L181 K183 K187 R189 Y191L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.03Å; K183-Y185 PolarHBondContact O-N 3.4Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.39Å; Y185-R189 WeakPolarHBondContact CE2-O 3.28Å; Y185-R189 WeakPolarHBondContact O-CA 3.36Å; Y185-R189 PolarHBondContact O-N 3.44Å; Y185-Y191 HydrophobicContact CD2-CD1 4.17Å; Y185-Y191 HydrophobicContact CD2-CD2 4.3Å; Y185-Y191 AromaticContact CD2-CE1 3.84Å; Y185-Y191 HydrophobicContact CD2-CE1 3.84Å; Y185-Y191 AromaticContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CG 4.39Å; Y185-Y191 AromaticContact CD2-CZ 3.73Å; Y185-Y191 HydrophobicContact CE2-CE2 4.28Å; Y185-Y191 HydrophobicContact CG-CD1 4.44Å; Y185-Y191 AromaticContact CG-CE1 3.92Å; Y185-Y191 HydrophobicContact CG-CE1 3.92Å
186K90.1Very high87.8Confident172 Ų17291.1 Ų91.175%0.74843%0.425SS*.Hα-helixtrans-60.3-34.3174-76.6175.6178.4-178.60112.7T182 K183T182-K186 HydrophobicContact CG2-CD 4.29Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.22Å; T182-K186 PolarHBondContact O-N 2.98Å; K183-K186 PolarHBondContact O-N 3.42Å
187K88.9Confident87.5Confident178 Ų17894 Ų9477%0.77444%0.444SS*.Hα-helixtrans-82.1-45.1179.9-166.9-177.5178.5178.10113.5K183 S184 Y185K183-K187 PolarHBondContact O-N 3.2Å; S184-K187 PolarHBondContact O-N 3.14Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.39Å
188N85.3Confident87.3Confident96 Ų9699.3 Ų99.351%0.51347%0.466SS..Hα-helixtrans-115.9-2.9-165.7-61.1-17.8000114.1S184 R190S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 PolarHBondContact O-N 3.47Å; N188-R190 PolarHBondContact O-N 2.97Å; N188-R190 VanDerWaalsContact O-N 3.08Å
189R89.1Confident87Confident211 Ų21196.7 Ų96.780%0.79645%0.447SS*.SBendtrans51.821.1-167.7-69.3-168.6174.2-159.40.1115Y185Y185-R189 WeakPolarHBondContact CE2-O 3.28Å; Y185-R189 WeakPolarHBondContact O-CA 3.36Å; Y185-R189 PolarHBondContact O-N 3.44Å
190R84.7Confident86.7Confident200 Ų20094.2 Ų94.276%0.75544%0.441SS*.SBendtrans-139.9149.8177-58.3-173.8-167.1-163.54109.5S184 N188S184-R190 CarbonylContact C-O 3.28Å; N188-R190 PolarHBondContact O-N 2.97Å; N188-R190 VanDerWaalsContact O-N 3.08Å
191Y85.1Confident86.3Confident127 Ų12798.4 Ų98.450%0.49846%0.461SS..  trans-83126.3171.4-63.6-63.4000110L181 Y185L181-Y191 HydrophobicContact CB-CD1 4.03Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CD2-CD1 4.42Å; Y185-Y191 HydrophobicContact CD2-CD1 4.17Å; Y185-Y191 HydrophobicContact CD2-CD2 4.3Å; Y185-Y191 AromaticContact CD2-CE1 3.84Å; Y185-Y191 HydrophobicContact CD2-CE1 3.84Å; Y185-Y191 AromaticContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CG 4.39Å; Y185-Y191 AromaticContact CD2-CZ 3.73Å; Y185-Y191 HydrophobicContact CE2-CE2 4.28Å; Y185-Y191 HydrophobicContact CG-CD1 4.44Å; Y185-Y191 AromaticContact CG-CE1 3.92Å; Y185-Y191 HydrophobicContact CG-CE1 3.92Å
192D85.1Confident85.9Confident63 Ų63105 Ų10534%0.33749%0.488SS..  trans-9998.4172.4-178.113.2000110.7S184 S194 V195S184-D192 PolarHBondContact OG-N 2.91Å; D192-S194 PolarHBondContact O-N 2.86Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 2.67Å; D192-S194 PolarHBondContact OD1-OG 2.94Å; D192-V195 HydrophobicContact CB-CG2 3.96Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 2.96Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.3Å
193F84.8Confident85.3Confident139 Ų139105.2 Ų105.261%0.6148%0.482SS*.THydrogen-bonded Turntrans-66.6-18.7177.6-65-89.8000112.7V195 I196F193-V195 PolarHBondContact O-N 3.31Å; F193-I196 HydrophobicContact CB-CD1 4.38Å; F193-I196 HydrophobicContact CD1-CD1 3.72Å; F193-I196 HydrophobicContact CG-CD1 4.49Å; F193-I196 WeakPolarHBondContact O-CB 3.39Å; F193-I196 WeakPolarHBondContact O-CG1 3.47Å; F193-I196 PolarHBondContact O-N 3.17Å
194S85.9Confident84.5Confident74 Ų74104 Ų10452%0.51749%0.485SS..Hα-helixtrans-64.9-19.2176.5-310000112.9D192 I196D192-S194 PolarHBondContact O-N 2.86Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 2.67Å; D192-S194 PolarHBondContact OD1-OG 2.94Å; S194-I196 VanDerWaalsContact C-N 3.33Å
195V84.3Confident83.8Confident34 Ų34105.6 Ų105.621%0.20649%0.492CS..Hα-helixtrans-73-28.2174.9-1680000111E180 D192 F193 S197 K198 I199E180-V195 HydrophobicContact CB-CG1 4.21Å; D192-V195 HydrophobicContact CB-CG2 3.96Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 2.96Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.3Å; F193-V195 PolarHBondContact O-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; V195-K198 PolarHBondContact O-N 2.81Å; V195-K198 VanDerWaalsContact O-N 3.12Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.47Å
196I86.3Confident82.8Confident46 Ų46102.8 Ų102.824%0.23648%0.484CS..Hα-helixtrans-60.7-43.3-174.9-58-179000111.2F173 V177 L181 F193 S194 K198 I199 A200F173-I196 HydrophobicContact CE2-CG2 4.49Å; F173-I196 HydrophobicContact CZ-CG2 3.86Å; V177-I196 HydrophobicContact CG1-CD1 4.09Å; V177-I196 HydrophobicContact CG1-CG1 4.01Å; V177-I196 HydrophobicContact CG2-CG2 4.12Å; L181-I196 HydrophobicContact CD1-CD1 4.3Å; F193-I196 HydrophobicContact CB-CD1 4.38Å; F193-I196 HydrophobicContact CD1-CD1 3.72Å; F193-I196 HydrophobicContact CG-CD1 4.49Å; F193-I196 WeakPolarHBondContact O-CB 3.39Å; F193-I196 WeakPolarHBondContact O-CG1 3.47Å; F193-I196 PolarHBondContact O-N 3.17Å; S194-I196 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 2.79Å; I196-I199 PolarHBondContact O-N 3.48Å; I196-I199 VanDerWaalsContact O-N 3.14Å; I196-A200 WeakPolarHBondContact O-CB 3.41Å; I196-A200 PolarHBondContact O-N 3.38Å
197S82.5Confident82Confident76 Ų76103.4 Ų103.453%0.53148%0.481SS..Hα-helixtrans-60.5-43176.5-48.50000112.3V195 I199 A200 E201V195-S197 PolarHBondContact O-N 3.42Å; S197-I199 PolarHBondContact O-N 2.9Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 3.16Å; S197-A200 VanDerWaalsContact O-N 3.1Å; S197-E201 WeakPolarHBondContact O-CG 3.43Å; S197-E201 PolarHBondContact O-N 3.34Å; S197-E201 VanDerWaalsContact O-N 3.08Å
198K85.1Confident81.4Confident127 Ų12796 Ų9655%0.55245%0.451SS*.Hα-helixtrans-69.1-18.3177.9-58.1175.5-176.6173.50113.4V195 I196 K202V195-K198 PolarHBondContact O-N 2.81Å; V195-K198 VanDerWaalsContact O-N 3.12Å; I196-K198 PolarHBondContact O-N 2.79Å; K198-K202 WeakPolarHBondContact O-CE 3.5Å
199I84.7Confident80.8Confident11 Ų1199.6 Ų99.66%0.05647%0.469CS..Hα-helixtrans-86.7-42.2169.6-60.5166.3000109.1F173 A176 V177 E180 V195 I196 S197 E201 K202 Y203F173-I199 HydrophobicContact CD2-CG2 3.82Å; F173-I199 HydrophobicContact CE2-CB 4.21Å; F173-I199 HydrophobicContact CE2-CG2 3.89Å; A176-I199 HydrophobicContact CB-CG2 3.98Å; V177-I199 HydrophobicContact CG2-CB 4.34Å; V177-I199 HydrophobicContact CG2-CD1 4.05Å; V177-I199 HydrophobicContact CG2-CG2 4.07Å; E180-I199 HydrophobicContact CB-CD1 3.69Å; E180-I199 HydrophobicContact CG-CD1 3.77Å; E180-I199 HydrophobicContact CG-CG1 4.47Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.47Å; I196-I199 PolarHBondContact O-N 3.48Å; I196-I199 VanDerWaalsContact O-N 3.14Å; S197-I199 PolarHBondContact O-N 2.9Å; I199-E201 VanDerWaalsContact C-N 3.29Å; I199-E201 PolarHBondContact O-N 3.06Å; I199-K202 WeakPolarHBondContact O-CA 3.44Å; I199-K202 WeakPolarHBondContact O-CB 3.39Å; I199-K202 PolarHBondContact O-N 3.2Å; I199-Y203 HydrophobicContact CG2-CD2 3.96Å; I199-Y203 HydrophobicContact CG2-CE2 3.73Å; I199-Y203 WeakPolarHBondContact O-CD2 3.49Å
200A82.6Confident80.1Confident31 Ų3191.2 Ų91.226%0.25645%0.448SS..Hα-helixtrans-57.7-39.8-178.700000112.4F173 I196 S197 K202 Y203 L205F173-A200 HydrophobicContact CE2-CB 3.85Å; F173-A200 HydrophobicContact CZ-CB 4.14Å; I196-A200 WeakPolarHBondContact O-CB 3.41Å; I196-A200 PolarHBondContact O-N 3.38Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 3.16Å; S197-A200 VanDerWaalsContact O-N 3.1Å; A200-K202 PolarHBondContact O-N 3.26Å; A200-K202 VanDerWaalsContact O-N 3.11Å; A200-Y203 PolarHBondContact O-N 3.23Å; A200-Y203 VanDerWaalsContact O-N 3.13Å; A200-L205 HydrophobicContact CB-CD1 3.86Å
201E81Confident79.6Confident161 Ų16184.1 Ų84.175%0.75244%0.437SS*.THydrogen-bonded Turntrans-54.7-25.1172.3-72.1163.6-159.100114.1S197 I199S197-E201 WeakPolarHBondContact O-CG 3.43Å; S197-E201 PolarHBondContact O-N 3.34Å; S197-E201 VanDerWaalsContact O-N 3.08Å; I199-E201 VanDerWaalsContact C-N 3.29Å; I199-E201 PolarHBondContact O-N 3.06Å
202K81.2Confident79.1Confident165 Ų16582.3 Ų82.372%0.71743%0.433SS*.THydrogen-bonded Turntrans-91.3-8.9-177.7-55.9179.5-177.11790113.9K198 I199 A200K198-K202 WeakPolarHBondContact O-CE 3.5Å; I199-K202 WeakPolarHBondContact O-CA 3.44Å; I199-K202 WeakPolarHBondContact O-CB 3.39Å; I199-K202 PolarHBondContact O-N 3.2Å; A200-K202 PolarHBondContact O-N 3.26Å; A200-K202 VanDerWaalsContact O-N 3.11Å
203Y80.1Confident78.9Confident73 Ų7386.3 Ų86.329%0.28645%0.453SS..SBendtrans-119.9140.8-179.2-70-87.3000110.4R172 F173 A176 I199 A200 L205R172-Y203 HydrophobicContact CB-CD1 4.37Å; R172-Y203 HydrophobicContact CB-CE1 3.82Å; F173-Y203 HydrophobicContact CB-CD1 4.24Å; F173-Y203 HydrophobicContact CB-CD2 4.1Å; F173-Y203 HydrophobicContact CB-CG 3.89Å; F173-Y203 AromaticContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CG 4.29Å; F173-Y203 HydrophobicContact CG-CD2 4.47Å; A176-Y203 HydrophobicContact CB-CE2 3.89Å; A176-Y203 WeakPolarHBondContact CB-OH 3.41Å; I199-Y203 HydrophobicContact CG2-CD2 3.96Å; I199-Y203 HydrophobicContact CG2-CE2 3.73Å; I199-Y203 WeakPolarHBondContact O-CD2 3.49Å; A200-Y203 PolarHBondContact O-N 3.23Å; A200-Y203 VanDerWaalsContact O-N 3.13Å; Y203-L205 PolarHBondContact O-N 3.08Å
204P71.4Confident78.6Confident79 Ų7983.5 Ų83.551%0.51346%0.463SS..  trans-77.260.8-177.532.5-36.9000112.2P169 D206 R207P169-P204 HydrophobicContact CB-CG 4.19Å; P169-P204 HydrophobicContact CG-CG 4.38Å; P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 PolarHBondContact O-N 2.76Å; P204-R207 PolarHBondContact O-N 3.43Å
205L73.4Confident78.4Confident48 Ų4884.5 Ų84.525%0.25146%0.462SS..G310 helixtrans-68.9-27.3-173.8-64.2-179.4000113.6F173 A200 Y203 R207 V208F173-L205 HydrophobicContact CB-CD2 3.85Å; F173-L205 HydrophobicContact CD1-CD1 3.8Å; F173-L205 HydrophobicContact CD1-CD2 3.92Å; F173-L205 HydrophobicContact CD2-CD1 3.87Å; F173-L205 HydrophobicContact CE1-CD1 3.76Å; F173-L205 HydrophobicContact CE2-CD1 3.84Å; F173-L205 HydrophobicContact CG-CD1 3.85Å; F173-L205 HydrophobicContact CG-CD2 3.85Å; F173-L205 HydrophobicContact CG-CG 4.36Å; F173-L205 HydrophobicContact CZ-CD1 3.77Å; A200-L205 HydrophobicContact CB-CD1 3.86Å; Y203-L205 PolarHBondContact O-N 3.08Å; L205-R207 PolarHBondContact O-N 2.84Å; L205-R207 VanDerWaalsContact O-N 3.11Å; L205-V208 HydrophobicContact CD2-CG2 4.22Å; L205-V208 WeakPolarHBondContact O-CB 3.38Å; L205-V208 WeakPolarHBondContact O-CG2 3.37Å; L205-V208 PolarHBondContact O-N 3.27Å; L205-V208 VanDerWaalsContact O-N 3.11Å
206D68.3Low78.4Confident47 Ų4791.7 Ų91.725%0.25149%0.494SS..G310 helixtrans-44.6-42.9170.1163.746.7000112.1P204 V208 F226 R227P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 PolarHBondContact O-N 2.76Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 2.69Å; D206-F226 HydrophobicContact CB-CD1 4.45Å; D206-F226 HydrophobicContact CB-CE1 3.87Å; D206-R227 PolarHBondContact O-NE 3.4Å; D206-R227 PolarHBondContact O-NH2 3.03Å; D206-R227 WeakPolarHBondContact OD1-CG 3.43Å; D206-R227 IonicContact OD1-NE 2.79Å; D206-R227 PolarHBondContact OD1-NE 2.77Å
207R71.6Confident78.3Confident185 Ų18595.8 Ų95.870%0.69852%0.516SS*.G310 helixtrans-90.510.1-170.7-58.8-171.2175.5-148.9-4.6113.8P204 L205 I209P204-R207 PolarHBondContact O-N 3.43Å; L205-R207 PolarHBondContact O-N 2.84Å; L205-R207 VanDerWaalsContact O-N 3.11Å; R207-I209 PolarHBondContact O-N 2.87Å
208V76.4Confident78.5Confident24 Ų2494.9 Ų94.915%0.14551%0.507CS..  trans-70.9116.9177.31750000110.1I170 L205 D206 G210 G211I170-V208 HydrophobicContact CB-CG1 4.28Å; I170-V208 HydrophobicContact CB-CG2 4.08Å; I170-V208 HydrophobicContact CD1-CG1 4.05Å; I170-V208 HydrophobicContact CG2-CG1 4.37Å; L205-V208 HydrophobicContact CD2-CG2 4.22Å; L205-V208 WeakPolarHBondContact O-CB 3.38Å; L205-V208 WeakPolarHBondContact O-CG2 3.37Å; L205-V208 PolarHBondContact O-N 3.27Å; L205-V208 VanDerWaalsContact O-N 3.11Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 2.69Å; V208-G210 PolarHBondContact O-N 2.89Å; V208-G211 PolarHBondContact O-N 3.04Å
209I73.1Confident78.8Confident171 Ų17191.6 Ų91.688%0.87750%0.496SS*.THydrogen-bonded Turntrans-59.6126.9171-58175.8000108.1R207R207-I209 PolarHBondContact O-N 2.87Å
210G74.4Confident79Confident35 Ų3596.4 Ų96.436%0.36152%0.519SS..THydrogen-bonded Turntrans90.9-3.5-179.700000116V208 Q212 I213V208-G210 PolarHBondContact O-N 2.89Å; G210-Q212 PolarHBondContact O-N 3.43Å; G210-I213 WeakPolarHBondContact O-CB 3.13Å; G210-I213 PolarHBondContact O-N 2.88Å
211G74.6Confident79.4Confident50 Ų5095.7 Ų95.752%0.51551%0.51SS..THydrogen-bonded Turntrans-65.13.5178.800000116.6V208V208-G211 PolarHBondContact O-N 3.04Å
212Q74.8Confident79.8Confident89 Ų8990.4 Ų90.442%0.41649%0.489SS..THydrogen-bonded Turntrans-123.42.3173.1-60.3-68.9-77.900112.1G210 L215 V218G210-Q212 PolarHBondContact O-N 3.43Å; Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 PolarHBondContact O-N 3.32Å; Q212-V218 HydrophobicContact CB-CG2 4.42Å
213I79.7Confident80.1Confident147 Ų14784.2 Ų84.275%0.75447%0.467SS*.THydrogen-bonded Turntrans-71.4132.8178.7-67.7173.1000109G210G210-I213 WeakPolarHBondContact O-CB 3.13Å; G210-I213 PolarHBondContact O-N 2.88Å
214G79.6Confident80.6Confident81 Ų8181.5 Ų81.584%0.83546%0.457SS*.THydrogen-bonded Turntrans87.70.8-178.700000114.7
215L81.2Confident81.4Confident95 Ų9579.6 Ų79.650%0.49744%0.442SS..  trans-80.6130.9165.4-61.6178.8000109.6Q212 V218Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 PolarHBondContact O-N 3.32Å; L215-V218 HydrophobicContact CB-CG2 3.92Å; L215-V218 HydrophobicContact CD1-CG2 4.31Å
216E85.1Confident82Confident185 Ų18584.8 Ų84.886%0.86446%0.463SS*.SBendtrans-67.9-37.9177.2-174.7-177.6-156.200112
217N84.2Confident82.7Confident131 Ų13187 Ų8770%0.70147%0.468SS*.  trans-129.7132.3-177.2-68.5-76.2000109.8
218V86.2Confident83.4Confident58 Ų5883.6 Ų83.635%0.35246%0.464SS..  trans-132.1119.4-179.6176.80000109.7Q212 L215 M220Q212-V218 HydrophobicContact CB-CG2 4.42Å; L215-V218 HydrophobicContact CB-CG2 3.92Å; L215-V218 HydrophobicContact CD1-CG2 4.31Å; V218-M220 HydrophobicContact CG1-SD 4.31Å; V218-M220 PolarHBondContact O-N 3.13Å; V218-M220 VanDerWaalsContact O-N 3.08Å
219D90.5Very high84Confident58 Ų5885.8 Ų85.831%0.3147%0.473SS..  trans-75.198171.8-177.7-14.4000109.9F221 T222 S223 W255D219-F221 PolarHBondContact O-N 2.69Å; D219-F221 PolarHBondContact OD1-N 2.79Å; D219-T222 VanDerWaalsContact CG-CB 3.43Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 3.11Å; D219-T222 VanDerWaalsContact OD2-CB 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.41Å; D219-T222 PolarHBondContact OD2-OG1 3.43Å; D219-S223 VanDerWaalsContact O-CB 3.24Å; D219-S223 WeakPolarHBondContact O-CB 3.44Å; D219-S223 PolarHBondContact O-N 3.21Å; D219-S223 PolarHBondContact O-OG 3.01Å; D219-W255 PolarHBondContact OD1-NE1 3.34Å; D219-W255 PolarHBondContact OD2-NE1 3.46Å
220M88.9Confident84.8Confident112 Ų11282 Ų8255%0.55245%0.45SS*.Hα-helixtrans-61.5-40.1177.9-68.9-64.3-6900112.7V218 S223 L224V218-M220 HydrophobicContact CG1-SD 4.31Å; V218-M220 PolarHBondContact O-N 3.13Å; V218-M220 VanDerWaalsContact O-N 3.08Å; M220-S223 PolarHBondContact O-N 3.3Å; M220-L224 WeakPolarHBondContact O-CB 3.43Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 3.15Å
221F90.9Very high85.6Confident15 Ų1582.3 Ų82.37%0.06645%0.454CS..Hα-helixtrans-68.8-45.1-177.6-82.9-102.9000111.4D219 S223 L224 L225 L233 I236 L237 L240 W255 I258D219-F221 PolarHBondContact O-N 2.69Å; D219-F221 PolarHBondContact OD1-N 2.79Å; F221-S223 VanDerWaalsContact C-N 3.34Å; F221-L224 PolarHBondContact O-N 2.91Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 3.31Å; F221-L233 HydrophobicContact CB-CD1 4.38Å; F221-L233 HydrophobicContact CD1-CD1 3.51Å; F221-L233 HydrophobicContact CD1-CG 4.48Å; F221-L233 HydrophobicContact CE1-CD1 4.02Å; F221-L233 HydrophobicContact CG-CD1 4.13Å; F221-I236 HydrophobicContact CE1-CG2 4.37Å; F221-I236 HydrophobicContact CE2-CG2 4.24Å; F221-I236 HydrophobicContact CZ-CG2 3.65Å; F221-L237 HydrophobicContact CE1-CD2 3.88Å; F221-L237 HydrophobicContact CE1-CG 4.33Å; F221-L237 HydrophobicContact CZ-CD2 4.47Å; F221-L240 HydrophobicContact CZ-CD1 4.05Å; F221-W255 HydrophobicContact CB-CD2 4.02Å; F221-W255 HydrophobicContact CB-CG 4.16Å; F221-W255 HydrophobicContact CB-CZ2 4.13Å; F221-W255 HydrophobicContact CD2-CD2 4.02Å; F221-W255 AromaticContact CD2-CE2 3.82Å; F221-W255 AromaticContact CD2-CE3 3.94Å; F221-W255 HydrophobicContact CD2-CE3 3.94Å; F221-W255 AromaticContact CD2-CH2 3.52Å; F221-W255 HydrophobicContact CD2-CH2 3.52Å; F221-W255 AromaticContact CD2-CZ2 3.58Å; F221-W255 HydrophobicContact CD2-CZ2 3.58Å; F221-W255 AromaticContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CE2-CE3 4.17Å; F221-W255 AromaticContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CZ2 4.39Å; F221-W255 AromaticContact CE2-CZ3 3.73Å; F221-W255 HydrophobicContact CE2-CZ3 3.73Å; F221-W255 AromaticContact CG-CD2 3.96Å; F221-W255 HydrophobicContact CG-CD2 3.96Å; F221-W255 AromaticContact CG-CE2 3.92Å; F221-W255 HydrophobicContact CG-CE3 4.21Å; F221-W255 HydrophobicContact CG-CG 4.41Å; F221-W255 HydrophobicContact CG-CH2 4.4Å; F221-W255 HydrophobicContact CG-CZ2 4.15Å; F221-W255 HydrophobicContact CG-CZ3 4.42Å; F221-W255 HydrophobicContact CZ-CZ3 4.48Å; F221-I258 HydrophobicContact CB-CD1 3.89Å; F221-I258 HydrophobicContact CD1-CD1 4.39Å; F221-I258 HydrophobicContact CD1-CG2 4.11Å
222T89.3Confident86.4Confident51 Ų5183.6 Ų83.631%0.31345%0.448SS..Hα-helixtrans-66.6-36.7174.6-62.10000111.3D219 L225 F226 T254D219-T222 VanDerWaalsContact CG-CB 3.43Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 3.11Å; D219-T222 VanDerWaalsContact OD2-CB 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.41Å; D219-T222 PolarHBondContact OD2-OG1 3.43Å; T222-L225 PolarHBondContact O-N 2.84Å; T222-F226 WeakPolarHBondContact O-CB 3.23Å; T222-F226 PolarHBondContact O-N 3.49Å; T222-T254 WeakPolarHBondContact OG1-CG2 3.34Å
223S88.3Confident87.3Confident35 Ų3579.8 Ų79.825%0.24543%0.43CS..Hα-helixtrans-65.7-42.5176.1-61.20000113D219 M220 F221 R227D219-S223 VanDerWaalsContact O-CB 3.24Å; D219-S223 WeakPolarHBondContact O-CB 3.44Å; D219-S223 PolarHBondContact O-N 3.21Å; D219-S223 PolarHBondContact O-OG 3.01Å; M220-S223 PolarHBondContact O-N 3.3Å; F221-S223 VanDerWaalsContact C-N 3.34Å; S223-R227 PolarHBondContact O-N 2.91Å
224L89.5Confident88Confident15 Ų1575.4 Ų75.48%0.07941%0.411CS..Hα-helixtrans-66.4-40.2174.5-70.9174.6000111.5M220 F221 R227 N228 M229 I232 L233 I236M220-L224 WeakPolarHBondContact O-CB 3.43Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 3.15Å; F221-L224 PolarHBondContact O-N 2.91Å; L224-R227 PolarHBondContact O-N 3.05Å; L224-N228 PolarHBondContact O-N 2.93Å; L224-M229 HydrophobicContact CD2-CB 4.46Å; L224-M229 HydrophobicContact CD2-CE 3.63Å; L224-M229 PolarHBondContact O-N 3.49Å; L224-I232 HydrophobicContact CD1-CG2 4.09Å; L224-I232 HydrophobicContact CD2-CB 4.46Å; L224-I232 HydrophobicContact CD2-CD1 4.5Å; L224-I232 HydrophobicContact CD2-CG2 4.14Å; L224-L233 HydrophobicContact CB-CD1 4.02Å; L224-L233 HydrophobicContact CD1-CD1 3.98Å; L224-I236 HydrophobicContact CD1-CD1 3.56Å
225L89.1Confident88.7Confident39 Ų3976.3 Ų76.320%0.20440%0.396CS..Hα-helixtrans-65-44.9176.718066.7000112.2F221 T222 R227 N228 L233 T254 I258F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 3.31Å; T222-L225 PolarHBondContact O-N 2.84Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; L225-N228 WeakPolarHBondContact O-CA 3.29Å; L225-N228 PolarHBondContact O-N 3.19Å; L225-L233 HydrophobicContact CB-CD2 4.4Å; L225-T254 HydrophobicContact CD2-CG2 4.13Å; L225-I258 HydrophobicContact CB-CD1 4.04Å; L225-I258 HydrophobicContact CB-CG1 4.46Å; L225-I258 HydrophobicContact CD1-CG1 4.4Å; L225-I258 HydrophobicContact CD2-CD1 3.95Å; L225-I258 HydrophobicContact CD2-CG1 3.85Å; L225-I258 HydrophobicContact CG-CD1 4.48Å; L225-I258 HydrophobicContact CG-CG1 4.46Å
226F85.4Confident89.3Confident157 Ų15774.4 Ų74.469%0.68939%0.386SS*.Hα-helixtrans-62.2-37.4179.3-174-113.7000111.9D206 T222 N228D206-F226 HydrophobicContact CB-CD1 4.45Å; D206-F226 HydrophobicContact CB-CE1 3.87Å; T222-F226 WeakPolarHBondContact O-CB 3.23Å; T222-F226 PolarHBondContact O-N 3.49Å; F226-N228 PolarHBondContact O-N 2.86Å
227R83.8Confident89.7Confident93 Ų9365.6 Ų65.635%0.35135%0.345SS..THydrogen-bonded Turntrans-76.62.5172-71.6175.6172.6-179-0.8114.3D206 S223 L224 L225 M229D206-R227 PolarHBondContact O-NE 3.4Å; D206-R227 PolarHBondContact O-NH2 3.03Å; D206-R227 WeakPolarHBondContact OD1-CG 3.43Å; D206-R227 IonicContact OD1-NE 2.79Å; D206-R227 PolarHBondContact OD1-NE 2.77Å; S223-R227 PolarHBondContact O-N 2.91Å; L224-R227 PolarHBondContact O-N 3.05Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; R227-M229 HydrophobicContact CB-CE 3.8Å; R227-M229 HydrophobicContact CB-CG 4.1Å; R227-M229 HydrophobicContact CG-CE 4.47Å; R227-M229 PolarHBondContact O-N 3.15Å
228N86.9Confident90.2Very high115 Ų11562.7 Ų62.762%0.61534%0.339SS*.THydrogen-bonded Turntrans55.727.1-177.3-164.138.2000114.5L224 L225 F226 K230L224-N228 PolarHBondContact O-N 2.93Å; L225-N228 WeakPolarHBondContact O-CA 3.29Å; L225-N228 PolarHBondContact O-N 3.19Å; F226-N228 PolarHBondContact O-N 2.86Å; N228-K230 PolarHBondContact O-N 2.97Å
229M87.9Confident90.6Very high69 Ų6967.3 Ų67.334%0.3436%0.361SS..  trans-85.657.4-177.4-65.3-167.2-6900111.8L224 R227 G231 I232 L233L224-M229 HydrophobicContact CD2-CB 4.46Å; L224-M229 HydrophobicContact CD2-CE 3.63Å; L224-M229 PolarHBondContact O-N 3.49Å; R227-M229 HydrophobicContact CB-CE 3.8Å; R227-M229 HydrophobicContact CB-CG 4.1Å; R227-M229 HydrophobicContact CG-CE 4.47Å; R227-M229 PolarHBondContact O-N 3.15Å; M229-G231 VanDerWaalsContact C-N 3.27Å; M229-G231 PolarHBondContact O-N 2.98Å; M229-I232 HydrophobicContact CB-CD1 4.16Å; M229-I232 HydrophobicContact CB-CG1 4.48Å; M229-I232 HydrophobicContact CE-CD1 4.47Å; M229-I232 PolarHBondContact O-N 3.35Å; M229-I232 HydrophobicContact SD-CD1 3.92Å; M229-L233 PolarHBondContact O-N 3.07Å
230K89.9Confident90.7Very high92 Ų9266.5 Ų66.540%0.436%0.356SS..Hα-helixtrans-62-27.7-173.3-63-161.8-177.8-165.40114.5N228 L233 T234 E261N228-K230 PolarHBondContact O-N 2.97Å; K230-L233 VanDerWaalsContact O-CB 3.27Å; K230-L233 WeakPolarHBondContact O-CB 3.33Å; K230-L233 PolarHBondContact O-N 2.61Å; K230-T234 PolarHBondContact O-N 3.28Å; K230-T234 PolarHBondContact O-OG1 2.88Å; K230-E261 IonicContact NZ-OE2 2.87Å; K230-E261 PolarHBondContact NZ-OE2 3.25Å
231G90.9Very high90.9Very high42 Ų4262.6 Ų62.643%0.43335%0.345SS..Hα-helixtrans-61.9-51.8175.500000112.6M229 L233 T234 D235M229-G231 VanDerWaalsContact C-N 3.27Å; M229-G231 PolarHBondContact O-N 2.98Å; G231-L233 PolarHBondContact O-N 2.96Å; G231-T234 WeakPolarHBondContact CA-OG1 3.08Å; G231-T234 PolarHBondContact O-N 2.89Å; G231-T234 VanDerWaalsContact O-N 3.08Å; G231-T234 PolarHBondContact O-OG1 2.91Å; G231-D235 PolarHBondContact O-N 2.86Å
232I92.4Very high91Very high77 Ų7765.4 Ų65.440%0.39536%0.361SS..Hα-helixtrans-58-35.1175.2-54.1178.5000110.5L224 M229 D235 I236L224-I232 HydrophobicContact CD1-CG2 4.09Å; L224-I232 HydrophobicContact CD2-CB 4.46Å; L224-I232 HydrophobicContact CD2-CD1 4.5Å; L224-I232 HydrophobicContact CD2-CG2 4.14Å; M229-I232 HydrophobicContact CB-CD1 4.16Å; M229-I232 HydrophobicContact CB-CG1 4.48Å; M229-I232 HydrophobicContact CE-CD1 4.47Å; M229-I232 PolarHBondContact O-N 3.35Å; M229-I232 HydrophobicContact SD-CD1 3.92Å; I232-D235 PolarHBondContact O-N 3.29Å; I232-I236 HydrophobicContact CG2-CD1 3.95Å; I232-I236 HydrophobicContact CG2-CG1 4.5Å; I232-I236 WeakPolarHBondContact O-CB 3.37Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.32Å; I232-I236 PolarHBondContact O-N 3.37Å
233L93.7Very high91.2Very high9 Ų968.3 Ų68.35%0.04737%0.373CS..Hα-helixtrans-66.8-45.2177.7-152.757.1000111.6F221 L224 L225 M229 K230 G231 L237 I258F221-L233 HydrophobicContact CB-CD1 4.38Å; F221-L233 HydrophobicContact CD1-CD1 3.51Å; F221-L233 HydrophobicContact CD1-CG 4.48Å; F221-L233 HydrophobicContact CE1-CD1 4.02Å; F221-L233 HydrophobicContact CG-CD1 4.13Å; L224-L233 HydrophobicContact CB-CD1 4.02Å; L224-L233 HydrophobicContact CD1-CD1 3.98Å; L225-L233 HydrophobicContact CB-CD2 4.4Å; M229-L233 PolarHBondContact O-N 3.07Å; K230-L233 VanDerWaalsContact O-CB 3.27Å; K230-L233 WeakPolarHBondContact O-CB 3.33Å; K230-L233 PolarHBondContact O-N 2.61Å; G231-L233 PolarHBondContact O-N 2.96Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.88Å; L233-I258 HydrophobicContact CD1-CG2 4.07Å; L233-I258 HydrophobicContact CD2-CB 4.37Å; L233-I258 HydrophobicContact CD2-CD1 4.17Å; L233-I258 HydrophobicContact CD2-CG1 4.06Å; L233-I258 HydrophobicContact CD2-CG2 3.45Å; L233-I258 VanDerWaalsContact CD2-CG2 3.45Å; L233-I258 HydrophobicContact CG-CG2 3.57Å
234T93.8Very high91.5Very high55 Ų5570.7 Ų70.734%0.33738%0.384SS..Hα-helixtrans-66.8-34.2173.149.80000112.5K230 G231 L237 A238 D262K230-T234 PolarHBondContact O-N 3.28Å; K230-T234 PolarHBondContact O-OG1 2.88Å; G231-T234 WeakPolarHBondContact CA-OG1 3.08Å; G231-T234 PolarHBondContact O-N 2.89Å; G231-T234 VanDerWaalsContact O-N 3.08Å; G231-T234 PolarHBondContact O-OG1 2.91Å; T234-L237 PolarHBondContact O-N 2.9Å; T234-A238 VanDerWaalsContact O-CB 3.29Å; T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 2.67Å; T234-D262 HydrophobicContact CG2-CB 4.21Å
235D94.1Very high91.6Very high99 Ų9970 Ų7053%0.52938%0.38SS..Hα-helixtrans-66.9-45177.2-60.7-27.6000111.1G231 I232 A238 L239G231-D235 PolarHBondContact O-N 2.86Å; I232-D235 PolarHBondContact O-N 3.29Å; D235-A238 PolarHBondContact O-N 2.77Å; D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.39Å
236I94.6Very high91.8Very high55 Ų5569.1 Ų69.128%0.28238%0.375SS..Hα-helixtrans-61.7-44.4173.3-69.4165.5000110.5F221 L224 I232 A238 L239 L240F221-I236 HydrophobicContact CE1-CG2 4.37Å; F221-I236 HydrophobicContact CE2-CG2 4.24Å; F221-I236 HydrophobicContact CZ-CG2 3.65Å; L224-I236 HydrophobicContact CD1-CD1 3.56Å; I232-I236 HydrophobicContact CG2-CD1 3.95Å; I232-I236 HydrophobicContact CG2-CG1 4.5Å; I232-I236 WeakPolarHBondContact O-CB 3.37Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.32Å; I232-I236 PolarHBondContact O-N 3.37Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.04Å; I236-L239 PolarHBondContact O-N 3.31Å; I236-L240 HydrophobicContact CG2-CD1 4.19Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.27Å; I236-L240 VanDerWaalsContact O-N 3.11Å
237L94Very high92.2Very high1 Ų165 Ų651%0.00537%0.366CS..Hα-helixtrans-62.8-36.5176.5-71.1175.1000112.2F221 L233 T234 L240 L245 I258 I259 D262 A265 R268F221-L237 HydrophobicContact CE1-CD2 3.88Å; F221-L237 HydrophobicContact CE1-CG 4.33Å; F221-L237 HydrophobicContact CZ-CD2 4.47Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.88Å; T234-L237 PolarHBondContact O-N 2.9Å; L237-L240 HydrophobicContact CD2-CD1 4.27Å; L237-L240 PolarHBondContact O-N 3.39Å; L237-L245 HydrophobicContact CD2-CD1 3.69Å; L237-I258 HydrophobicContact CD1-CG2 4.19Å; L237-I259 HydrophobicContact CD1-CG1 4.45Å; L237-I259 HydrophobicContact CD2-CD1 4.39Å; L237-I259 HydrophobicContact CD2-CG1 3.61Å; L237-D262 HydrophobicContact CD1-CB 3.85Å; L237-A265 HydrophobicContact CB-CB 3.97Å; L237-A265 HydrophobicContact CD1-CB 4.02Å; L237-A265 HydrophobicContact CG-CB 4.43Å; L237-R268 PolarHBondContact O-NH2 2.91Å
238A93.6Very high92.6Very high70 Ų7061.4 Ų61.458%0.57936%0.355SS*.Hα-helixtrans-67.3-32.8175.900000113.1T234 D235 I236T234-A238 VanDerWaalsContact O-CB 3.29Å; T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 2.67Å; D235-A238 PolarHBondContact O-N 2.77Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.04Å
239L94.3Very high92.9Very high155 Ų15557 Ų5781%0.81233%0.331SS*.Hα-helixtrans-79-20.6176.2-68.5169.5000113.7D235 I236D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.39Å; I236-L239 PolarHBondContact O-N 3.31Å
240L93.6Very high93.1Very high40 Ų4059.2 Ų59.221%0.20934%0.343CS..SBendtrans-74.3132.2178-77.6165.4000112.2F221 I236 L237 D244 R268F221-L240 HydrophobicContact CZ-CD1 4.05Å; I236-L240 HydrophobicContact CG2-CD1 4.19Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.27Å; I236-L240 VanDerWaalsContact O-N 3.11Å; L237-L240 HydrophobicContact CD2-CD1 4.27Å; L237-L240 PolarHBondContact O-N 3.39Å; L240-D244 HydrophobicContact CD2-CB 3.77Å; L240-R268 PolarHBondContact O-NH1 3.11Å
241G93.7Very high93.2Very high30 Ų3059.1 Ų59.131%0.30935%0.35SS..  trans-65.6159.2173.500000112.1L243 D244 L245G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 3.42Å; G241-D244 WeakPolarHBondContact CA-OD2 3.3Å; G241-D244 PolarHBondContact N-OD2 3.3Å; G241-D244 PolarHBondContact O-N 3.13Å; G241-D244 VanDerWaalsContact O-N 3.15Å; G241-L245 VanDerWaalsContact O-CB 3.31Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.45Å
242D92.9Very high93.2Very high75 Ų7558.7 Ų58.740%0.40134%0.341SS..Hα-helixtrans-66.6-28.6-171.3-76.6-14.5000113.5I246 R268 A272D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.2Å; D242-R268 IonicContact OD1-CZ 2.67Å; D242-R268 IonicContact OD1-NH1 2.77Å; D242-R268 PolarHBondContact OD1-NH1 3.23Å; D242-A272 HydrophobicContact CB-CB 3.81Å
243L92.6Very high93.3Very high111 Ų11164.3 Ų64.358%0.58136%0.363SS*.Hα-helixtrans-72.6-46.6170.5-64.3179000111.6G241 L245 I246 S247 L276G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 3.42Å; L243-L245 PolarHBondContact O-N 3.1Å; L243-I246 WeakPolarHBondContact O-CB 3.37Å; L243-I246 PolarHBondContact O-N 2.77Å; L243-I246 VanDerWaalsContact O-N 3.07Å; L243-S247 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-OG 3.14Å; L243-L276 HydrophobicContact CD2-CD1 3.92Å; L243-L276 HydrophobicContact CD2-CD2 4.13Å; L243-L276 HydrophobicContact CD2-CG 4.39Å
244D93.9Very high93.2Very high86 Ų8666.6 Ų66.646%0.4638%0.377SS..Hα-helixtrans-60.2-36.4179.1-48.6-56.5000111.2L240 G241 I246 S247 C248L240-D244 HydrophobicContact CD2-CB 3.77Å; G241-D244 WeakPolarHBondContact CA-OD2 3.3Å; G241-D244 PolarHBondContact N-OD2 3.3Å; G241-D244 PolarHBondContact O-N 3.13Å; G241-D244 VanDerWaalsContact O-N 3.15Å; D244-I246 VanDerWaalsContact C-N 3.33Å; D244-I246 PolarHBondContact O-N 3.11Å; D244-S247 WeakPolarHBondContact O-CB 3.5Å; D244-S247 PolarHBondContact O-N 2.91Å; D244-C248 WeakPolarHBondContact O-CB 3.35Å; D244-C248 PolarHBondContact O-N 3.31Å; D244-C248 PolarHBondContact O-SG 3.12Å
245L93.3Very high93.3Very high0 Ų065.9 Ų65.90%037%0.368CS..Hα-helixtrans-66.6-32.8177.8-174.160.4000112.6L237 G241 L243 K249 I259 A265 R268 C269L237-L245 HydrophobicContact CD2-CD1 3.69Å; G241-L245 VanDerWaalsContact O-CB 3.31Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.45Å; L243-L245 PolarHBondContact O-N 3.1Å; L245-K249 WeakPolarHBondContact O-CB 3.38Å; L245-K249 PolarHBondContact O-N 2.82Å; L245-I259 HydrophobicContact CD1-CD1 4.16Å; L245-I259 HydrophobicContact CD1-CG1 4.08Å; L245-I259 HydrophobicContact CD1-CG2 4.03Å; L245-A265 HydrophobicContact CD1-CB 4.3Å; L245-A265 HydrophobicContact CD2-CB 4.28Å; L245-R268 HydrophobicContact CD2-CB 4.07Å; L245-C269 HydrophobicContact CD2-CB 3.89Å; L245-C269 HydrophobicContact CG-CB 3.92Å
246I92.9Very high93.2Very high20 Ų2066.1 Ų66.110%0.10336%0.364CS..Hα-helixtrans-70.3-44.9170.3-63.9172.8000110.1D242 L243 D244 C248 K249 N250 A272 E273 L276D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.2Å; L243-I246 WeakPolarHBondContact O-CB 3.37Å; L243-I246 PolarHBondContact O-N 2.77Å; L243-I246 VanDerWaalsContact O-N 3.07Å; D244-I246 VanDerWaalsContact C-N 3.33Å; D244-I246 PolarHBondContact O-N 3.11Å; I246-C248 PolarHBondContact O-N 3.04Å; I246-K249 WeakPolarHBondContact O-CB 3.44Å; I246-K249 PolarHBondContact O-N 3.35Å; I246-N250 PolarHBondContact O-N 3.4Å; I246-N250 PolarHBondContact O-ND2 3.08Å; I246-A272 HydrophobicContact CD1-CB 3.74Å; I246-A272 HydrophobicContact CG1-CB 4.34Å; I246-E273 HydrophobicContact CD1-CG 3.83Å; I246-E273 HydrophobicContact CG1-CG 3.9Å; I246-E273 HydrophobicContact CG2-CG 4.34Å; I246-L276 HydrophobicContact CD1-CD1 3.62Å
247S93.9Very high93.2Very high72 Ų7269.2 Ų69.250%0.50338%0.376SS..Hα-helixtrans-58.5-49.1176-620000111.4L243 D244 K249 N250 V251L243-S247 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-OG 3.14Å; D244-S247 WeakPolarHBondContact O-CB 3.5Å; D244-S247 PolarHBondContact O-N 2.91Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.3Å; S247-N250 WeakPolarHBondContact O-CA 3.43Å; S247-N250 WeakPolarHBondContact O-CB 3.48Å; S247-N250 PolarHBondContact O-N 2.96Å; S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.44Å
248C92.3Very high93.2Very high17 Ų1769.4 Ų69.412%0.11538%0.377CS..Hα-helixtrans-58.3-35.1176.4-690000112.9D244 I246 N250 V251 W255 I259D244-C248 WeakPolarHBondContact O-CB 3.35Å; D244-C248 PolarHBondContact O-N 3.31Å; D244-C248 PolarHBondContact O-SG 3.12Å; I246-C248 PolarHBondContact O-N 3.04Å; C248-N250 PolarHBondContact O-N 2.97Å; C248-V251 PolarHBondContact O-N 3.38Å; C248-W255 HydrophobicContact CB-CE3 3.93Å; C248-W255 HydrophobicContact CB-CZ3 4.24Å; C248-W255 VanDerWaalsContact O-CB 3.29Å; C248-W255 WeakPolarHBondContact O-CB 3.42Å; C248-I259 HydrophobicContact CB-CD1 3.8Å
249K92.6Very high93.1Very high23 Ų2366.1 Ų66.110%0.135%0.349CS..Hα-helixtrans-68.3-22.3174.6-179.7178.2172-170.30113.2L245 I246 S247 K256 I259 C269 E273L245-K249 WeakPolarHBondContact O-CB 3.38Å; L245-K249 PolarHBondContact O-N 2.82Å; I246-K249 WeakPolarHBondContact O-CB 3.44Å; I246-K249 PolarHBondContact O-N 3.35Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.3Å; K249-K256 HydrophobicContact CG-CB 4.32Å; K249-K256 HydrophobicContact CG-CD 4.2Å; K249-K256 HydrophobicContact CG-CG 3.96Å; K249-K256 WeakPolarHBondContact O-CB 3.14Å; K249-I259 HydrophobicContact CB-CD1 3.9Å; K249-C269 WeakPolarHBondContact CD-SG 3.29Å; K249-E273 WeakPolarHBondContact CE-OE1 3.49Å; K249-E273 IonicContact NZ-OE1 2.67Å; K249-E273 PolarHBondContact NZ-OE1 3.49Å; K249-E273 IonicContact NZ-OE2 3.54Å; K249-E273 PolarHBondContact NZ-OE2 2.83Å
250N91.4Very high93Very high114 Ų11462.2 Ų62.261%0.6133%0.334SS*.Hα-helixtrans-93.7-23.1177.6-63.9-30.6000113I246 S247 C248 S252I246-N250 PolarHBondContact O-N 3.4Å; I246-N250 PolarHBondContact O-ND2 3.08Å; S247-N250 WeakPolarHBondContact O-CA 3.43Å; S247-N250 WeakPolarHBondContact O-CB 3.48Å; S247-N250 PolarHBondContact O-N 2.96Å; C248-N250 PolarHBondContact O-N 2.97Å; N250-S252 PolarHBondContact O-N 3.4Å
251V92Very high92.8Very high90 Ų9064.2 Ų64.255%0.54534%0.343SS..Hα-helixtrans-52.1-46.41781700000112.9S247 C248 W255S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.44Å; C248-V251 PolarHBondContact O-N 3.38Å; V251-W255 HydrophobicContact CB-CD2 4.05Å; V251-W255 HydrophobicContact CB-CE3 3.81Å; V251-W255 HydrophobicContact CB-CZ3 4.22Å; V251-W255 HydrophobicContact CG1-CD2 3.79Å; V251-W255 HydrophobicContact CG1-CE3 3.87Å; V251-W255 HydrophobicContact CG1-CG 4.39Å; V251-W255 HydrophobicContact CG1-CH2 4.2Å; V251-W255 HydrophobicContact CG1-CZ2 4.11Å; V251-W255 HydrophobicContact CG1-CZ3 4.08Å; V251-W255 HydrophobicContact CG2-CE3 4.13Å; V251-W255 HydrophobicContact CG2-CZ3 4.12Å
252S92.3Very high92.8Very high34 Ų3464 Ų6424%0.23833%0.334CS..  trans-158.2161.8176.279.80000114.4N250 T254 W255 K256N250-S252 PolarHBondContact O-N 3.4Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.91Å; S252-W255 PolarHBondContact O-N 3.39Å; S252-W255 PolarHBondContact OG-N 2.95Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.29Å
253K93.3Very high92.7Very high195 Ų19565.1 Ų65.185%0.84835%0.348SS*.Hα-helixtrans-59.4-32.6172.1-63.7178-177174.40112.1K257K253-K257 PolarHBondContact O-N 3.03Å; K253-K257 VanDerWaalsContact O-N 3.08Å
254T92.9Very high92.7Very high57 Ų5762.1 Ų62.135%0.3534%0.339SS..Hα-helixtrans-72.5-44177.5-48.10000111.3T222 L225 S252 K257 I258T222-T254 WeakPolarHBondContact OG1-CG2 3.34Å; L225-T254 HydrophobicContact CD2-CG2 4.13Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.91Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 3.39Å; T254-K257 VanDerWaalsContact O-N 3.14Å; T254-I258 HydrophobicContact CG2-CD1 4.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.4Å; T254-I258 PolarHBondContact O-N 3.4Å
255W94.6Very high92.7Very high40 Ų4058 Ų5815%0.15232%0.318CS..Hα-helixtrans-65.7-41.2177.5-68.632.2000110.9D219 F221 C248 V251 S252 K257 I258 I259D219-W255 PolarHBondContact OD1-NE1 3.34Å; D219-W255 PolarHBondContact OD2-NE1 3.46Å; F221-W255 HydrophobicContact CB-CD2 4.02Å; F221-W255 HydrophobicContact CB-CG 4.16Å; F221-W255 HydrophobicContact CB-CZ2 4.13Å; F221-W255 HydrophobicContact CD2-CD2 4.02Å; F221-W255 AromaticContact CD2-CE2 3.82Å; F221-W255 AromaticContact CD2-CE3 3.94Å; F221-W255 HydrophobicContact CD2-CE3 3.94Å; F221-W255 AromaticContact CD2-CH2 3.52Å; F221-W255 HydrophobicContact CD2-CH2 3.52Å; F221-W255 AromaticContact CD2-CZ2 3.58Å; F221-W255 HydrophobicContact CD2-CZ2 3.58Å; F221-W255 AromaticContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CE2-CE3 4.17Å; F221-W255 AromaticContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CZ2 4.39Å; F221-W255 AromaticContact CE2-CZ3 3.73Å; F221-W255 HydrophobicContact CE2-CZ3 3.73Å; F221-W255 AromaticContact CG-CD2 3.96Å; F221-W255 HydrophobicContact CG-CD2 3.96Å; F221-W255 AromaticContact CG-CE2 3.92Å; F221-W255 HydrophobicContact CG-CE3 4.21Å; F221-W255 HydrophobicContact CG-CG 4.41Å; F221-W255 HydrophobicContact CG-CH2 4.4Å; F221-W255 HydrophobicContact CG-CZ2 4.15Å; F221-W255 HydrophobicContact CG-CZ3 4.42Å; F221-W255 HydrophobicContact CZ-CZ3 4.48Å; C248-W255 HydrophobicContact CB-CE3 3.93Å; C248-W255 HydrophobicContact CB-CZ3 4.24Å; C248-W255 VanDerWaalsContact O-CB 3.29Å; C248-W255 WeakPolarHBondContact O-CB 3.42Å; V251-W255 HydrophobicContact CB-CD2 4.05Å; V251-W255 HydrophobicContact CB-CE3 3.81Å; V251-W255 HydrophobicContact CB-CZ3 4.22Å; V251-W255 HydrophobicContact CG1-CD2 3.79Å; V251-W255 HydrophobicContact CG1-CE3 3.87Å; V251-W255 HydrophobicContact CG1-CG 4.39Å; V251-W255 HydrophobicContact CG1-CH2 4.2Å; V251-W255 HydrophobicContact CG1-CZ2 4.11Å; V251-W255 HydrophobicContact CG1-CZ3 4.08Å; V251-W255 HydrophobicContact CG2-CE3 4.13Å; V251-W255 HydrophobicContact CG2-CZ3 4.12Å; S252-W255 PolarHBondContact O-N 3.39Å; S252-W255 PolarHBondContact OG-N 2.95Å; W255-K257 VanDerWaalsContact C-N 3.3Å; W255-K257 PolarHBondContact O-N 3.01Å; W255-I258 WeakPolarHBondContact O-CB 3.38Å; W255-I258 PolarHBondContact O-N 2.91Å; W255-I259 WeakPolarHBondContact O-CG1 3.21Å; W255-I259 PolarHBondContact O-N 3.05Å
256K93.6Very high92.7Very high104 Ų10458.4 Ų58.445%0.45232%0.32SS..Hα-helixtrans-57-40.6170.2-174.6160.3-177.7168.10112.8K249 S252 C260K249-K256 HydrophobicContact CG-CB 4.32Å; K249-K256 HydrophobicContact CG-CD 4.2Å; K249-K256 HydrophobicContact CG-CG 3.96Å; K249-K256 WeakPolarHBondContact O-CB 3.14Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.29Å; K256-C260 WeakPolarHBondContact O-CB 3.07Å; K256-C260 PolarHBondContact O-N 3.43Å; K256-C260 VanDerWaalsContact O-N 3.08Å; K256-C260 PolarHBondContact O-SG 2.69Å
257K94Very high92.7Very high119 Ų11964.5 Ų64.552%0.51734%0.342SS..Hα-helixtrans-65.4-45.2175.1-176.1174.6-177.4-71.60111.3K253 T254 W255 C260 E261K253-K257 PolarHBondContact O-N 3.03Å; K253-K257 VanDerWaalsContact O-N 3.08Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 3.39Å; T254-K257 VanDerWaalsContact O-N 3.14Å; W255-K257 VanDerWaalsContact C-N 3.3Å; W255-K257 PolarHBondContact O-N 3.01Å; K257-C260 PolarHBondContact O-N 3.08Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 PolarHBondContact NZ-OE1 2.84Å; K257-E261 WeakPolarHBondContact O-CG 3.44Å; K257-E261 PolarHBondContact O-N 3.04Å
258I92.9Very high92.8Very high5 Ų563.9 Ų63.93%0.02633%0.329CS..Hα-helixtrans-57.9-51.7175.9-71.9164.5000111.3F221 L225 L233 L237 T254 W255 C260 E261 D262F221-I258 HydrophobicContact CB-CD1 3.89Å; F221-I258 HydrophobicContact CD1-CD1 4.39Å; F221-I258 HydrophobicContact CD1-CG2 4.11Å; L225-I258 HydrophobicContact CB-CD1 4.04Å; L225-I258 HydrophobicContact CB-CG1 4.46Å; L225-I258 HydrophobicContact CD1-CG1 4.4Å; L225-I258 HydrophobicContact CD2-CD1 3.95Å; L225-I258 HydrophobicContact CD2-CG1 3.85Å; L225-I258 HydrophobicContact CG-CD1 4.48Å; L225-I258 HydrophobicContact CG-CG1 4.46Å; L233-I258 HydrophobicContact CD1-CG2 4.07Å; L233-I258 HydrophobicContact CD2-CB 4.37Å; L233-I258 HydrophobicContact CD2-CD1 4.17Å; L233-I258 HydrophobicContact CD2-CG1 4.06Å; L233-I258 HydrophobicContact CD2-CG2 3.45Å; L233-I258 VanDerWaalsContact CD2-CG2 3.45Å; L233-I258 HydrophobicContact CG-CG2 3.57Å; L237-I258 HydrophobicContact CD1-CG2 4.19Å; T254-I258 HydrophobicContact CG2-CD1 4.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.4Å; T254-I258 PolarHBondContact O-N 3.4Å; W255-I258 WeakPolarHBondContact O-CB 3.38Å; W255-I258 PolarHBondContact O-N 2.91Å; I258-C260 PolarHBondContact O-N 2.76Å; I258-E261 PolarHBondContact O-N 3.11Å; I258-D262 PolarHBondContact O-N 2.7Å
259I93.1Very high92.8Very high1 Ų163.1 Ų63.11%0.00532%0.324CS..Hα-helixtrans-62.8-30.4179.9-68.8160.8000111.5L237 L245 C248 K249 W255 A266 C269L237-I259 HydrophobicContact CD1-CG1 4.45Å; L237-I259 HydrophobicContact CD2-CD1 4.39Å; L237-I259 HydrophobicContact CD2-CG1 3.61Å; L245-I259 HydrophobicContact CD1-CD1 4.16Å; L245-I259 HydrophobicContact CD1-CG1 4.08Å; L245-I259 HydrophobicContact CD1-CG2 4.03Å; C248-I259 HydrophobicContact CB-CD1 3.8Å; K249-I259 HydrophobicContact CB-CD1 3.9Å; W255-I259 WeakPolarHBondContact O-CG1 3.21Å; W255-I259 PolarHBondContact O-N 3.05Å; I259-A266 WeakPolarHBondContact O-CA 3.41Å; I259-A266 VanDerWaalsContact O-CB 3.32Å; I259-A266 WeakPolarHBondContact O-CB 3.46Å; I259-A266 PolarHBondContact O-N 3.36Å; I259-C269 HydrophobicContact CG2-CB 4.34Å
260C90.6Very high92.9Very high74 Ų7468.5 Ų68.550%0.534%0.343SS..Hα-helixtrans-80.3-18.8174.2-74.10000114.5K256 K257 I258K256-C260 WeakPolarHBondContact O-CB 3.07Å; K256-C260 PolarHBondContact O-N 3.43Å; K256-C260 VanDerWaalsContact O-N 3.08Å; K256-C260 PolarHBondContact O-SG 2.69Å; K257-C260 PolarHBondContact O-N 3.08Å; I258-C260 PolarHBondContact O-N 2.76Å
261E91Very high93Very high82 Ų8268.5 Ų68.538%0.38334%0.34SS..Hα-helixtrans-79-31.2173.7-79-179.2-146.400112.1K230 K257 I258 S263K230-E261 IonicContact NZ-OE2 2.87Å; K230-E261 PolarHBondContact NZ-OE2 3.25Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 PolarHBondContact NZ-OE1 2.84Å; K257-E261 WeakPolarHBondContact O-CG 3.44Å; K257-E261 PolarHBondContact O-N 3.04Å; I258-E261 PolarHBondContact O-N 3.11Å; E261-S263 PolarHBondContact O-N 3.41Å
262D92.4Very high93.1Very high24 Ų2464.8 Ų64.813%0.12832%0.318CS..SBendtrans-78.2110.1168177.8-18.3000110T234 L237 I258 A264 A265 A266T234-D262 HydrophobicContact CG2-CB 4.21Å; L237-D262 HydrophobicContact CD1-CB 3.85Å; I258-D262 PolarHBondContact O-N 2.7Å; D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 2.79Å; D262-A264 WeakPolarHBondContact OD1-CA 3.28Å; D262-A264 WeakPolarHBondContact OD1-CB 3.3Å; D262-A264 PolarHBondContact OD1-N 3.01Å; D262-A265 HydrophobicContact CB-CB 3.89Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 PolarHBondContact OD1-N 2.89Å; D262-A265 WeakPolarHBondContact OD2-CB 3.2Å; D262-A266 WeakPolarHBondContact O-CB 3.32Å; D262-A266 PolarHBondContact O-N 3.19Å
263S91.8Very high93.1Very high100 Ų10066.2 Ų66.270%0.69932%0.321SS*.Hα-helixtrans-67.5-25-177.865.10000114.1E261 R267E261-S263 PolarHBondContact O-N 3.41Å; S263-R267 WeakPolarHBondContact O-CB 3.38Å; S263-R267 PolarHBondContact O-N 2.76Å
264A92.5Very high93.1Very high47 Ų4762.2 Ų62.239%0.38831%0.306SS..Hα-helixtrans-82.1-47.5178.600000111.1D262 R267 R268D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 2.79Å; D262-A264 WeakPolarHBondContact OD1-CA 3.28Å; D262-A264 WeakPolarHBondContact OD1-CB 3.3Å; D262-A264 PolarHBondContact OD1-N 3.01Å; A264-R267 PolarHBondContact O-N 3.14Å; A264-R268 PolarHBondContact O-N 2.67Å
265A92.6Very high93Very high1 Ų162 Ų621%0.00831%0.31CS..Hα-helixtrans-64.2-43.6173.700000111.5L237 L245 D262 R267 R268 C269L237-A265 HydrophobicContact CB-CB 3.97Å; L237-A265 HydrophobicContact CD1-CB 4.02Å; L237-A265 HydrophobicContact CG-CB 4.43Å; L245-A265 HydrophobicContact CD1-CB 4.3Å; L245-A265 HydrophobicContact CD2-CB 4.28Å; D262-A265 HydrophobicContact CB-CB 3.89Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 PolarHBondContact OD1-N 2.89Å; D262-A265 WeakPolarHBondContact OD2-CB 3.2Å; A265-R267 PolarHBondContact O-N 3.4Å; A265-R268 PolarHBondContact O-N 3.28Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.37Å; A265-C269 PolarHBondContact O-N 3.13Å
266A93.5Very high92.8Very high7 Ų763.5 Ų63.56%0.05832%0.32CS..Hα-helixtrans-57.3-36.3174.700000112.3I259 D262 R270I259-A266 WeakPolarHBondContact O-CA 3.41Å; I259-A266 VanDerWaalsContact O-CB 3.32Å; I259-A266 WeakPolarHBondContact O-CB 3.46Å; I259-A266 PolarHBondContact O-N 3.36Å; D262-A266 WeakPolarHBondContact O-CB 3.32Å; D262-A266 PolarHBondContact O-N 3.19Å; A266-R270 WeakPolarHBondContact O-CG 3.46Å; A266-R270 PolarHBondContact O-N 3.24Å; A266-R270 PolarHBondContact O-NH1 3.3Å
267R94.1Very high92.6Very high148 Ų14868.2 Ų68.256%0.55834%0.335SS*.Hα-helixtrans-70.7-51.6177-175.3176.963.7-166.2-3.4111.5S263 A264 A265 C269 R270 Q271S263-R267 WeakPolarHBondContact O-CB 3.38Å; S263-R267 PolarHBondContact O-N 2.76Å; A264-R267 PolarHBondContact O-N 3.14Å; A265-R267 PolarHBondContact O-N 3.4Å; R267-C269 VanDerWaalsContact C-N 3.34Å; R267-C269 PolarHBondContact O-N 3.03Å; R267-R270 PolarHBondContact O-N 3.37Å; R267-Q271 WeakPolarHBondContact O-CG 3.24Å; R267-Q271 PolarHBondContact O-N 2.87Å
268R94.8Very high92.4Very high60 Ų6067.4 Ų67.423%0.22633%0.333CS..Hα-helixtrans-56.3-48.1176.8-77.5-164.7-64.7125.2-7.1111.7L237 L240 D242 L245 A264 A265 R270 Q271 A272L237-R268 PolarHBondContact O-NH2 2.91Å; L240-R268 PolarHBondContact O-NH1 3.11Å; D242-R268 IonicContact OD1-CZ 2.67Å; D242-R268 IonicContact OD1-NH1 2.77Å; D242-R268 PolarHBondContact OD1-NH1 3.23Å; L245-R268 HydrophobicContact CD2-CB 4.07Å; A264-R268 PolarHBondContact O-N 2.67Å; A265-R268 PolarHBondContact O-N 3.28Å; R268-R270 VanDerWaalsContact C-N 3.34Å; R268-R270 PolarHBondContact O-N 3.43Å; R268-Q271 PolarHBondContact O-N 2.89Å; R268-Q271 VanDerWaalsContact O-N 3.08Å; R268-A272 WeakPolarHBondContact O-CB 3.35Å; R268-A272 PolarHBondContact O-N 3.4Å
269C93.7Very high92.1Very high1 Ų169.8 Ų69.81%0.00735%0.351CS..Hα-helixtrans-56.3-45.1178.3-171.60000112.5L245 K249 I259 A265 R267 A272 E273L245-C269 HydrophobicContact CD2-CB 3.89Å; L245-C269 HydrophobicContact CG-CB 3.92Å; K249-C269 WeakPolarHBondContact CD-SG 3.29Å; I259-C269 HydrophobicContact CG2-CB 4.34Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.37Å; A265-C269 PolarHBondContact O-N 3.13Å; R267-C269 VanDerWaalsContact C-N 3.34Å; R267-C269 PolarHBondContact O-N 3.03Å; C269-A272 PolarHBondContact O-N 3.5Å; C269-E273 WeakPolarHBondContact O-CB 3.22Å; C269-E273 VanDerWaalsContact O-CG 3.32Å; C269-E273 WeakPolarHBondContact O-CG 3.32Å; C269-E273 PolarHBondContact O-N 3.24Å
270R93.8Very high91.6Very high136 Ų13677.7 Ų77.751%0.51338%0.38SS..Hα-helixtrans-65.4-39.4175.5-74-171.6-55.2-88.63.8112.9A266 R267 R268 Q274A266-R270 WeakPolarHBondContact O-CG 3.46Å; A266-R270 PolarHBondContact O-N 3.24Å; A266-R270 PolarHBondContact O-NH1 3.3Å; R267-R270 PolarHBondContact O-N 3.37Å; R268-R270 VanDerWaalsContact C-N 3.34Å; R268-R270 PolarHBondContact O-N 3.43Å; R270-Q274 WeakPolarHBondContact O-CB 3.32Å; R270-Q274 PolarHBondContact O-N 2.86Å
271Q94.1Very high91.1Very high113 Ų11376.9 Ų76.953%0.52838%0.376SS..Hα-helixtrans-65.6-40.8177.7-70.6174-63.600111.3R267 R268 Q274 A275R267-Q271 WeakPolarHBondContact O-CG 3.24Å; R267-Q271 PolarHBondContact O-N 2.87Å; R268-Q271 PolarHBondContact O-N 2.89Å; R268-Q271 VanDerWaalsContact O-N 3.08Å; Q271-Q274 PolarHBondContact O-N 3.49Å; Q271-A275 WeakPolarHBondContact O-CB 3.29Å; Q271-A275 PolarHBondContact O-N 3.24Å
272A92.6Very high90.1Very high12 Ų1276.6 Ų76.610%0.09938%0.383CS..Hα-helixtrans-67.9-43.1175.900000112.4D242 I246 R268 C269 Q274 A275 L276D242-A272 HydrophobicContact CB-CB 3.81Å; I246-A272 HydrophobicContact CD1-CB 3.74Å; I246-A272 HydrophobicContact CG1-CB 4.34Å; R268-A272 WeakPolarHBondContact O-CB 3.35Å; R268-A272 PolarHBondContact O-N 3.4Å; C269-A272 PolarHBondContact O-N 3.5Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 3.28Å; A272-A275 PolarHBondContact O-N 2.88Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.96Å
273E93.3Very high88.6Confident64 Ų6483.4 Ų83.430%0.29941%0.414SS..Hα-helixtrans-59.3-39.3172-76.2175.115300111.9I246 K249 C269 R277I246-E273 HydrophobicContact CD1-CG 3.83Å; I246-E273 HydrophobicContact CG1-CG 3.9Å; I246-E273 HydrophobicContact CG2-CG 4.34Å; K249-E273 WeakPolarHBondContact CE-OE1 3.49Å; K249-E273 IonicContact NZ-OE1 2.67Å; K249-E273 PolarHBondContact NZ-OE1 3.49Å; K249-E273 IonicContact NZ-OE2 3.54Å; K249-E273 PolarHBondContact NZ-OE2 2.83Å; C269-E273 WeakPolarHBondContact O-CB 3.22Å; C269-E273 VanDerWaalsContact O-CG 3.32Å; C269-E273 WeakPolarHBondContact O-CG 3.32Å; C269-E273 PolarHBondContact O-N 3.24Å; E273-R277 WeakPolarHBondContact O-CB 3.26Å; E273-R277 PolarHBondContact O-N 2.96Å
274Q92.9Very high87.1Confident111 Ų11188.3 Ų88.352%0.51942%0.417SS..Hα-helixtrans-67.7-46.3176.1-179.6168.5-11.200111.5R270 Q271 A272 L276 R277 E278R270-Q274 WeakPolarHBondContact O-CB 3.32Å; R270-Q274 PolarHBondContact O-N 2.86Å; Q271-Q274 PolarHBondContact O-N 3.49Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 3.28Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.49Å; Q274-R277 CarbonylContact O-C 3.55Å; Q274-R277 WeakPolarHBondContact O-CB 3.35Å; Q274-R277 PolarHBondContact O-N 2.95Å; Q274-E278 HydrophobicContact CG-CG 4.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.42Å; Q274-E278 WeakPolarHBondContact O-CB 3.38Å; Q274-E278 WeakPolarHBondContact O-CG 3.07Å; Q274-E278 PolarHBondContact O-N 2.96Å
275A91.4Very high85.3Confident53 Ų5390.6 Ų90.644%0.43842%0.423SS..Hα-helixtrans-61.7-38176.500000112.6Q271 A272 S279Q271-A275 WeakPolarHBondContact O-CB 3.29Å; Q271-A275 PolarHBondContact O-N 3.24Å; A272-A275 PolarHBondContact O-N 2.88Å; A275-S279 WeakPolarHBondContact O-CB 3.29Å; A275-S279 PolarHBondContact O-N 3.01Å; A275-S279 PolarHBondContact O-OG 2.85Å
276L89.7Confident83.4Confident71 Ų7196.8 Ų96.837%0.37246%0.463SS..Hα-helixtrans-67.4-35.4171.9-72.9-178.2000112.5L243 I246 A272 Q274 S279 R280L243-L276 HydrophobicContact CD2-CD1 3.92Å; L243-L276 HydrophobicContact CD2-CD2 4.13Å; L243-L276 HydrophobicContact CD2-CG 4.39Å; I246-L276 HydrophobicContact CD1-CD1 3.62Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.96Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.49Å; L276-S279 WeakPolarHBondContact CA-OG 3.27Å; L276-S279 PolarHBondContact O-OG 3.04Å; L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 WeakPolarHBondContact O-CD 3.21Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 2.84Å; L276-R280 VanDerWaalsContact O-N 3.15Å
277R90.3Very high81.3Confident203 Ų203100.5 Ų100.577%0.76649%0.493SS*.Hα-helixtrans-69.7-42.1174.8-176175.2-180142.40.9111.7E273 Q274 S281E273-R277 WeakPolarHBondContact O-CB 3.26Å; E273-R277 PolarHBondContact O-N 2.96Å; Q274-R277 CarbonylContact O-C 3.55Å; Q274-R277 WeakPolarHBondContact O-CB 3.35Å; Q274-R277 PolarHBondContact O-N 2.95Å; R277-S281 WeakPolarHBondContact O-CB 3.45Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.9Å
278E90.4Very high79.1Confident102 Ų10298.6 Ų98.648%0.47750%0.502SS..Hα-helixtrans-67.5-48.8-179.6-75170.9-176.400111.2Q274 R280 S281 S282Q274-E278 HydrophobicContact CG-CG 4.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.42Å; Q274-E278 WeakPolarHBondContact O-CB 3.38Å; Q274-E278 WeakPolarHBondContact O-CG 3.07Å; Q274-E278 PolarHBondContact O-N 2.96Å; E278-R280 PolarHBondContact O-N 3.21Å; E278-S281 WeakPolarHBondContact CA-OG 3.29Å; E278-S281 CarbonylContact O-C 3.55Å; E278-S281 WeakPolarHBondContact O-CA 3.47Å; E278-S281 WeakPolarHBondContact O-CB 3.15Å; E278-S281 PolarHBondContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.33Å; E278-S282 PolarHBondContact O-N 2.86Å; E278-S282 PolarHBondContact O-OG 3.17Å
279S86.1Confident76.8Confident56 Ų5699.2 Ų99.239%0.39253%0.527SS..Hα-helixtrans-60.9-42.417552.50000113.3A275 L276 S281 S282 Q283A275-S279 WeakPolarHBondContact O-CB 3.29Å; A275-S279 PolarHBondContact O-N 3.01Å; A275-S279 PolarHBondContact O-OG 2.85Å; L276-S279 WeakPolarHBondContact CA-OG 3.27Å; L276-S279 PolarHBondContact O-OG 3.04Å; S279-S281 PolarHBondContact O-N 3.49Å; S279-S282 PolarHBondContact O-N 2.96Å; S279-S282 PolarHBondContact O-OG 3.25Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S279-Q283 WeakPolarHBondContact O-CB 3.49Å; S279-Q283 PolarHBondContact O-N 3.32Å
280R82.9Confident74.9Confident167 Ų167107.4 Ų107.463%0.6357%0.57SS**Hα-helixtrans-67-22.1172.7-67.7173.985.8-175.29.7112.9L276 E278 R284L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 WeakPolarHBondContact O-CD 3.21Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 2.84Å; L276-R280 VanDerWaalsContact O-N 3.15Å; E278-R280 PolarHBondContact O-N 3.21Å; R280-R284 WeakPolarHBondContact O-CB 3.46Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.37Å; R280-R284 PolarHBondContact O-N 3.32Å
281S78.6Confident73Confident57 Ų57107.3 Ų107.340%0.39959%0.585SS.*Hα-helixtrans-84.4-36.4175.278.20000113.1R277 E278 S279 R284 N285R277-S281 WeakPolarHBondContact O-CB 3.45Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.9Å; E278-S281 WeakPolarHBondContact CA-OG 3.29Å; E278-S281 CarbonylContact O-C 3.55Å; E278-S281 WeakPolarHBondContact O-CA 3.47Å; E278-S281 WeakPolarHBondContact O-CB 3.15Å; E278-S281 PolarHBondContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.33Å; S279-S281 PolarHBondContact O-N 3.49Å; S281-R284 PolarHBondContact O-N 2.78Å; S281-N285 WeakPolarHBondContact O-CB 3.31Å; S281-N285 PolarHBondContact O-N 2.86Å; S281-N285 PolarHBondContact O-ND2 3.23Å
282S71.4Confident71Confident76 Ų76113 Ų11353%0.53160%0.602SS.*Hα-helixtrans-70.6-40174.560.20000111.2E278 S279 R284 N285E278-S282 PolarHBondContact O-N 2.86Å; E278-S282 PolarHBondContact O-OG 3.17Å; S279-S282 PolarHBondContact O-N 2.96Å; S279-S282 PolarHBondContact O-OG 3.25Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S282-R284 PolarHBondContact O-N 3.08Å; S282-N285 CarbonylContact O-C 3.54Å; S282-N285 PolarHBondContact O-N 3.42Å
283Q60.9Low68.4Low166 Ų166120 Ų12078%0.77664%0.637SS**THydrogen-bonded Turntrans-62.6-27.4172.6-165.5-178.723.400112.8S279S279-Q283 WeakPolarHBondContact O-CB 3.49Å; S279-Q283 PolarHBondContact O-N 3.32Å
284R60.4Low66.4Low204 Ų204123 Ų12377%0.7766%0.66SS**THydrogen-bonded Turntrans-84.1-5.5172.6-77.2179.9174.3-158.5-2.8114.1R280 S281 S282 P286R280-R284 WeakPolarHBondContact O-CB 3.46Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.37Å; R280-R284 PolarHBondContact O-N 3.32Å; S281-R284 PolarHBondContact O-N 2.78Å; S282-R284 PolarHBondContact O-N 3.08Å; R284-P286 VanDerWaalsContact C-CD 3.42Å; R284-P286 WeakPolarHBondContact O-CD 3.36Å
285N54.9Low64.5Low95 Ų95120.6 Ų120.651%0.50866%0.664SS.*  trans-115.575.8-179.4-81.6-33.7000112S281 S282 A287S281-N285 WeakPolarHBondContact O-CB 3.31Å; S281-N285 PolarHBondContact O-N 2.86Å; S281-N285 PolarHBondContact O-ND2 3.23Å; S282-N285 CarbonylContact O-C 3.54Å; S282-N285 PolarHBondContact O-N 3.42Å; N285-A287 PolarHBondContact O-N 2.99Å
286P52.1Low62.5Low131 Ų131123.1 Ų123.185%0.85169%0.685SS**SBendtrans-69.79168.732.5-36.8000113.5R284R284-P286 VanDerWaalsContact C-CD 3.42Å; R284-P286 WeakPolarHBondContact O-CD 3.36Å
287A48.6Very low60.2Low84 Ų84124.9 Ų124.969%0.69470%0.704SS**  trans-138.554-16900000112.6N285N285-A287 PolarHBondContact O-N 2.99Å
288S48.1Very low58.5Low108 Ų108127.1 Ų127.176%0.75571%0.712SS**  trans-143.566.2169.8-76.90000111.7
289G47.7Very low56.6Low73 Ų73128 Ų12875%0.75372%0.724SS**  trans-140.116.1174.300000113.8
290L51.8Low54.9Low174 Ų174130.7 Ų130.791%0.91174%0.738SS**  trans-135.172.7-175-81.6170.7000111.4
291T55.3Low53.1Low133 Ų133130.5 Ų130.582%0.81675%0.749SS**  trans-129100.8166.540.60000110.5
292R51.9Low51.8Low234 Ų234132.8 Ų132.888%0.88377%0.765SS**  trans56.999.5164-68174.9153174.8-8.1116.7
293D38.4Very low50.8Low157 Ų157134.1 Ų134.184%0.8477%0.773SS**  -109.7153115.9-16811.9000108.6
294V50.9Low49.8Very low128 Ų128134.1 Ų134.178%0.77678%0.775SS**  trans-13375.6-178.5-177.60000108.2
295G52.8Low49.7Very low60 Ų60133.3 Ų133.362%0.61978%0.78SS**  trans-152.5111.4-176.400000113
296A49.1Very low48.9Very low106 Ų106133.6 Ų133.688%0.87680%0.796SS**  trans22.2102.3160.100000120.1
297S41.8Very low48.4Very low109 Ų109135.9 Ų135.976%0.76280%0.8SS**  -153.1133.7114.5-169.60000111.3
298R55.1Low48.3Very low250 Ų250136.9 Ų136.994%0.94381%0.808SS**  trans-118.476.6177.7-64.5-171.9-170.9-151.15.6110.2
299V50.8Low47.6Very low119 Ų119136.9 Ų136.972%0.72181%0.808SS**  trans-131.3102.1171.3-172.20000111.3
300V50.5Low47.6Very low114 Ų114145.3 Ų145.369%0.69182%0.817SS**  trans18.4106.8147.1-168.70000117.8
301L44.3Very low46.8Very low162 Ų162148 Ų14885%0.84882%0.815SS**  trans-133.449.7146.5-79.8-176.9000111.1C303L301-C303 VanDerWaalsContact C-N 3.26Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.12Å
302S51.7Low46.3Very low105 Ų105148.8 Ų148.873%0.73482%0.82SS**  trans-82.566.3169.755.20000111
303C49.4Very low45.5Very low105 Ų105141.9 Ų141.971%0.70981%0.813SS**  trans-112.8105.9168.956.10000109.5L301L301-C303 VanDerWaalsContact C-N 3.26Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.12Å
304M39.9Very low46Very low165 Ų165139.6 Ų139.681%0.81381%0.809SS**  trans-67.9147.4-163.9-64.91566000114.4A306M304-A306 PolarHBondContact O-N 2.96Å
305Q58.5Low45Very low188 Ų188139.3 Ų139.388%0.87981%0.812SS**  trans3.3111.1146.4-64.1161.6-43.700116.5
306A38Very low44.7Very low101 Ų101143.1 Ų143.184%0.83581%0.813SS**  trans-110.4140.9161.400000110.1M304M304-A306 PolarHBondContact O-N 2.96Å
307L42.3Very low44.1Very low179 Ų179146.5 Ų146.594%0.93781%0.808SS**  trans-81.2167.2-170.8-74165.1000113.7
308A45.2Very low43.8Very low105 Ų105147.1 Ų147.187%0.86881%0.812SS**  trans-46.4139.4-172.300000116.2
309S35.3Very low43.1Very low108 Ų108140.3 Ų140.376%0.75580%0.803SS**  trans-142.7125.5157.4-163.30000111
310R45.9Very low42.7Very low250 Ų250143 Ų14394%0.94381%0.81SS**  trans-80.1116.7170-68-179.3-177.6176.60.7108.6
311R34.9Very low42.4Very low230 Ų230141.1 Ų141.187%0.86880%0.8SS**  trans-134.8128157-66.8-167.273.3156.91.1110.6
312T45.5Very low42.7Very low149 Ų149136.3 Ų136.391%0.91478%0.78SS**  trans-70.3132.9168.437.30000109.7
313A36.3Very low42.8Very low89 Ų89139.5 Ų139.574%0.73678%0.784SS**  trans-138.7116.6171.200000109C315A313-C315 PolarHBondContact O-N 3.4Å
314S46.9Very low43.3Very low109 Ų109138.5 Ų138.576%0.76278%0.776SS**  trans-84.5106.2176.1156.30000109.7
315C31.8Very low45Very low123 Ų123134 Ų13483%0.83176%0.758SS**  trans-104.6106.8169.5-65.80000109.7A313A313-C315 PolarHBondContact O-N 3.4Å
316Q45.2Very low45.9Very low140 Ų140130.5 Ų130.565%0.65474%0.737SS**  trans-91.7140.2175.7-78.6-161.78.200112.4
317K37.4Very low48.1Very low177 Ų177130.7 Ų130.777%0.7772%0.719SS**  trans68.1100149.9-65.5157.8178.3154.80119.3
318S35Very low50.2Low121 Ų121126 Ų12685%0.84670%0.695SS**  -143.384.7113.548.70000109
319S39.6Very low52.2Low108 Ų108124.5 Ų124.576%0.75567%0.67SS**  71.248.393.6-166.50000115.7
320M42.9Very low54.8Low174 Ų174122 Ų12286%0.85765%0.646SS**  trans-112.8127.8142.6-74.8-65.5157.700108.2S322M320-S322 PolarHBondContact O-N 3.26Å
321P43.9Very low56.8Low76 Ų76113.8 Ų113.849%0.49462%0.623SS.*  trans-74111179.229.3-32.2000109.6Q323P321-Q323 PolarHBondContact O-N 3.29Å; P321-Q323 VanDerWaalsContact O-N 3.09Å
322S50.4Low59.3Low60 Ų60109.6 Ų109.642%0.4261%0.613SS.*  trans-49.9113.6173.734.50000111.1M320 C324 T325M320-S322 PolarHBondContact O-N 3.26Å; S322-C324 PolarHBondContact O-N 2.91Å; S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 2.59Å; S322-T325 WeakPolarHBondContact OG-CG2 3.45Å; S322-T325 PolarHBondContact OG-OG1 3.46Å
323Q55.1Low61.2Low173 Ų173103.1 Ų103.181%0.80858%0.575SS**Hα-helixtrans-59.2-40.3176.6-72.7168.1-36.500110.5P321 T325 R326 F327P321-Q323 PolarHBondContact O-N 3.29Å; P321-Q323 VanDerWaalsContact O-N 3.09Å; Q323-T325 PolarHBondContact O-N 3.43Å; Q323-R326 PolarHBondContact O-N 3.01Å; Q323-F327 WeakPolarHBondContact O-CB 3.42Å; Q323-F327 PolarHBondContact O-N 3.33Å
324C59.3Low63.6Low83 Ų83101.3 Ų101.356%0.56156%0.56SS**Hα-helixtrans-45.4-60171.4-172.70000112.9S322 R326 F327 D328S322-C324 PolarHBondContact O-N 2.91Å; C324-R326 VanDerWaalsContact C-N 3.27Å; C324-R326 PolarHBondContact O-N 3.15Å; C324-R326 VanDerWaalsContact O-N 3.15Å; C324-F327 WeakPolarHBondContact O-CA 3.39Å; C324-F327 WeakPolarHBondContact O-CB 3.41Å; C324-F327 PolarHBondContact O-N 3.16Å; C324-D328 VanDerWaalsContact O-CG 3.23Å; C324-D328 PolarHBondContact O-N 3.43Å
325T74.8Confident65.4Low70 Ų70100.7 Ų100.743%0.42956%0.556SS.*Hα-helixtrans-63.7-29-176.158.20000114S322 Q323 E329S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 2.59Å; S322-T325 WeakPolarHBondContact OG-CG2 3.45Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; Q323-T325 PolarHBondContact O-N 3.43Å; T325-E329 PolarHBondContact O-N 3.31Å; T325-E329 VanDerWaalsContact O-N 3.16Å
326R79.1Confident67.8Low116 Ų116100.1 Ų100.144%0.43855%0.549SS..Hα-helixtrans-76.6-37.1173.2-78.6-176.2176.2151.6-2.7111.9Q323 C324 D328 E329 F330Q323-R326 PolarHBondContact O-N 3.01Å; C324-R326 VanDerWaalsContact C-N 3.27Å; C324-R326 PolarHBondContact O-N 3.15Å; C324-R326 VanDerWaalsContact O-N 3.15Å; R326-D328 VanDerWaalsContact C-N 3.33Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.38Å; R326-F330 VanDerWaalsContact O-CD2 3.32Å; R326-F330 WeakPolarHBondContact O-CD2 3.45Å; R326-F330 PolarHBondContact O-N 3.24Å
327F83.5Confident69.7Low104 Ų10495.7 Ų95.746%0.45653%0.53SS..Hα-helixtrans-62.3-45.1174.4-178.6-92.6000110.4Y84 Q323 C324 E329 F330 V331Y84-F327 WeakPolarHBondContact OH-CE1 3.46Å; Y84-F327 WeakPolarHBondContact OH-CZ 3.49Å; Q323-F327 WeakPolarHBondContact O-CB 3.42Å; Q323-F327 PolarHBondContact O-N 3.33Å; C324-F327 WeakPolarHBondContact O-CA 3.39Å; C324-F327 WeakPolarHBondContact O-CB 3.41Å; C324-F327 PolarHBondContact O-N 3.16Å; F327-E329 PolarHBondContact O-N 2.87Å; F327-F330 PolarHBondContact O-N 3.05Å; F327-V331 HydrophobicContact CD1-CG2 3.9Å; F327-V331 HydrophobicContact CE1-CG2 3.38Å; F327-V331 HydrophobicContact CE2-CG2 4.37Å; F327-V331 HydrophobicContact CZ-CG2 3.65Å; F327-V331 PolarHBondContact O-N 3.38Å
328D86.1Confident71.8Confident82 Ų8292.9 Ų92.944%0.43952%0.517SS..Hα-helixtrans-58.1-44173.8-60.3-29.1000112.4C324 R326 F330 V331 Q332C324-D328 VanDerWaalsContact O-CG 3.23Å; C324-D328 PolarHBondContact O-N 3.43Å; R326-D328 VanDerWaalsContact C-N 3.33Å; D328-F330 VanDerWaalsContact C-N 3.26Å; D328-F330 PolarHBondContact O-N 3.26Å; D328-V331 PolarHBondContact O-N 3.28Å; D328-Q332 VanDerWaalsContact O-CB 3.29Å; D328-Q332 WeakPolarHBondContact O-CB 3.41Å; D328-Q332 PolarHBondContact O-N 2.9Å
329E86.5Confident73.7Confident72 Ų7297.1 Ų97.134%0.33652%0.524SS..Hα-helixtrans-53.6-41.8172.6-84.3178.7-139.600111.8T325 R326 F327 A333 S351T325-E329 PolarHBondContact O-N 3.31Å; T325-E329 VanDerWaalsContact O-N 3.16Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.38Å; F327-E329 PolarHBondContact O-N 2.87Å; E329-A333 VanDerWaalsContact O-CB 3.28Å; E329-A333 WeakPolarHBondContact O-CB 3.4Å; E329-A333 PolarHBondContact O-N 2.99Å; E329-A333 VanDerWaalsContact O-N 3.09Å; E329-S351 PolarHBondContact OE2-OG 2.63Å
330F89.6Confident75.4Confident57 Ų5798.2 Ų98.225%0.2552%0.517CS..Hα-helixtrans-75.7-40.7180-87.9-104000112.9R326 F327 D328 A333 A334 L343 G350 P352R326-F330 VanDerWaalsContact O-CD2 3.32Å; R326-F330 WeakPolarHBondContact O-CD2 3.45Å; R326-F330 PolarHBondContact O-N 3.24Å; F327-F330 PolarHBondContact O-N 3.05Å; D328-F330 VanDerWaalsContact C-N 3.26Å; D328-F330 PolarHBondContact O-N 3.26Å; F330-A333 PolarHBondContact O-N 2.82Å; F330-A334 VanDerWaalsContact O-CB 3.3Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 3.43Å; F330-L343 HydrophobicContact CD1-CD1 4.37Å; F330-G350 VanDerWaalsContact CE2-O 3.29Å; F330-G350 WeakPolarHBondContact CE2-O 3.3Å; F330-G350 VanDerWaalsContact CZ-O 3.32Å; F330-G350 WeakPolarHBondContact CZ-O 3.25Å; F330-P352 HydrophobicContact CD1-CB 4.03Å; F330-P352 HydrophobicContact CD2-CB 4.26Å; F330-P352 HydrophobicContact CD2-CG 4.27Å; F330-P352 HydrophobicContact CE1-CB 3.95Å; F330-P352 HydrophobicContact CE2-CB 4.21Å; F330-P352 HydrophobicContact CE2-CG 4.4Å; F330-P352 HydrophobicContact CG-CB 4.2Å; F330-P352 HydrophobicContact CG-CG 4.5Å; F330-P352 HydrophobicContact CZ-CB 4.06Å
331V88.8Confident77.3Confident77 Ų7791.3 Ų91.347%0.46748%0.482SS..Hα-helixtrans-64.2-44.9176172.50000110.6F327 D328 A333 A334 S335F327-V331 HydrophobicContact CD1-CG2 3.9Å; F327-V331 HydrophobicContact CE1-CG2 3.38Å; F327-V331 HydrophobicContact CE2-CG2 4.37Å; F327-V331 HydrophobicContact CZ-CG2 3.65Å; F327-V331 PolarHBondContact O-N 3.38Å; D328-V331 PolarHBondContact O-N 3.28Å; V331-A333 PolarHBondContact O-N 3.11Å; V331-A334 PolarHBondContact O-N 3.28Å; V331-S335 PolarHBondContact O-N 3.27Å
332Q87.6Confident79.5Confident141 Ų14190 Ų9066%0.65948%0.475SS*.Hα-helixtrans-61.4-46.3176.2-169.7179.523.400110.9D328 A334 S335D328-Q332 VanDerWaalsContact O-CB 3.29Å; D328-Q332 WeakPolarHBondContact O-CB 3.41Å; D328-Q332 PolarHBondContact O-N 2.9Å; Q332-A334 VanDerWaalsContact C-N 3.34Å; Q332-A334 PolarHBondContact O-N 3.29Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.4Å
333A86.1Confident81.4Confident14 Ų1488.9 Ų88.912%0.11646%0.464CS..Hα-helixtrans-61.5-40.4175.700000112.4E329 F330 V331 S335 T336 L343 P352E329-A333 VanDerWaalsContact O-CB 3.28Å; E329-A333 WeakPolarHBondContact O-CB 3.4Å; E329-A333 PolarHBondContact O-N 2.99Å; E329-A333 VanDerWaalsContact O-N 3.09Å; F330-A333 PolarHBondContact O-N 2.82Å; V331-A333 PolarHBondContact O-N 3.11Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.69Å; A333-T336 PolarHBondContact O-N 3Å; A333-T336 VanDerWaalsContact O-N 3.14Å; A333-T336 PolarHBondContact O-OG1 2.64Å; A333-L343 HydrophobicContact CB-CD1 3.64Å; A333-L343 HydrophobicContact CB-CD2 4.48Å; A333-P352 HydrophobicContact CB-CB 3.93Å; A333-P352 HydrophobicContact CB-CG 3.74Å
334A85.6Confident83.1Confident51 Ų5187 Ų8742%0.42145%0.45SS..Hα-helixtrans-63.9-34.4178.700000112.4F330 V331 Q332 T336 L337 L343F330-A334 VanDerWaalsContact O-CB 3.3Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 3.43Å; V331-A334 PolarHBondContact O-N 3.28Å; Q332-A334 VanDerWaalsContact C-N 3.34Å; Q332-A334 PolarHBondContact O-N 3.29Å; A334-T336 PolarHBondContact O-N 3.02Å; A334-L337 WeakPolarHBondContact O-CB 3.42Å; A334-L337 PolarHBondContact O-N 3.15Å; A334-L343 HydrophobicContact CB-CD1 4.11Å
335S84.8Confident84.5Confident96 Ų9686.7 Ų86.767%0.67145%0.448SS*.Hα-helixtrans-64-21.1175.678.10000114.2V331 Q332 A333V331-S335 PolarHBondContact O-N 3.27Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.4Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.69Å
336T83.8Confident85.3Confident111 Ų11183.6 Ų83.668%0.68143%0.429SS*.THydrogen-bonded Turntrans-93.64-178.865.70000114.1A333 A334A333-T336 PolarHBondContact O-N 3Å; A333-T336 VanDerWaalsContact O-N 3.14Å; A333-T336 PolarHBondContact O-OG1 2.64Å; A334-T336 PolarHBondContact O-N 3.02Å
337L84.3Confident85.6Confident47 Ų4785.1 Ų85.125%0.24644%0.435CS..  trans-98.7140.3-162.2-156.563.1000112.4A334 E341 L343 T354A334-L337 WeakPolarHBondContact O-CB 3.42Å; A334-L337 PolarHBondContact O-N 3.15Å; L337-E341 HydrophobicContact CD1-CB 3.53Å; L337-E341 WeakPolarHBondContact CD2-O 3.33Å; L337-E341 HydrophobicContact CG-CB 3.77Å; L337-L343 HydrophobicContact CD1-CD2 4.13Å; L337-L343 HydrophobicContact CD2-CD2 4.2Å; L337-L343 HydrophobicContact CD2-CG 3.83Å; L337-T354 HydrophobicContact CD1-CG2 4.12Å
338K81.3Confident85.7Confident117 Ų11788.5 Ų88.551%0.50945%0.445SS..  trans-82.6158.1176.1-58.2175.7-142.769.40111H340 E341K338-H340 PolarHBondContact O-N 3.28Å; K338-E341 HydrophobicContact CB-CG 4.28Å; K338-E341 VanDerWaalsContact CB-OE2 3.3Å; K338-E341 WeakPolarHBondContact CB-OE2 3.41Å; K338-E341 WeakPolarHBondContact CG-OE2 3.07Å; K338-E341 PolarHBondContact N-OE2 2.78Å; K338-E341 IonicContact NZ-OE1 2.63Å; K338-E341 PolarHBondContact NZ-OE1 3.22Å; K338-E341 IonicContact NZ-OE2 2.89Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; K338-E341 PolarHBondContact O-N 3.48Å
339Q75.9Confident85.7Confident211 Ų21186.3 Ų86.399%0.98644%0.435SS*.THydrogen-bonded Turntrans-55-17.2-176.5-66.9175.1-24.800116.3
340H74.5Confident85.6Confident131 Ų13184.3 Ų84.361%0.60643%0.434SS*.THydrogen-bonded Turntrans-108.1-2178.555.9-92.8000113.5K338K338-H340 PolarHBondContact O-N 3.28Å
341E82.6Confident85.6Confident28 Ų2881.7 Ų81.713%0.13142%0.423CS..  trans-102.7146.4177.4-61169.1153.300108.1L337 K338 T354L337-E341 HydrophobicContact CD1-CB 3.53Å; L337-E341 WeakPolarHBondContact CD2-O 3.33Å; L337-E341 HydrophobicContact CG-CB 3.77Å; K338-E341 HydrophobicContact CB-CG 4.28Å; K338-E341 VanDerWaalsContact CB-OE2 3.3Å; K338-E341 WeakPolarHBondContact CB-OE2 3.41Å; K338-E341 WeakPolarHBondContact CG-OE2 3.07Å; K338-E341 PolarHBondContact N-OE2 2.78Å; K338-E341 IonicContact NZ-OE1 2.63Å; K338-E341 PolarHBondContact NZ-OE1 3.22Å; K338-E341 IonicContact NZ-OE2 2.89Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; K338-E341 PolarHBondContact O-N 3.48Å; E341-T354 HydrophobicContact CB-CG2 4.48Å
342S89.3Confident85.7Confident50 Ų5078.3 Ų78.335%0.3540%0.403SS..EExtended strand (participates in β ladder)trans-139.116717438.90000110.4Y355S342-Y355 PolarHBondContact N-O 3.07Å; S342-Y355 WeakPolarHBondContact O-CB 3.42Å; S342-Y355 PolarHBondContact O-N 3.4Å; S342-Y355 WeakPolarHBondContact OG-CD1 3.36Å
343L91.1Very high86Confident36 Ų3671.6 Ų71.619%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-102.4148.7-179.1-64-178.8000112.7F330 A333 A334 L337 P352 A353F330-L343 HydrophobicContact CD1-CD1 4.37Å; A333-L343 HydrophobicContact CB-CD1 3.64Å; A333-L343 HydrophobicContact CB-CD2 4.48Å; A334-L343 HydrophobicContact CB-CD1 4.11Å; L337-L343 HydrophobicContact CD1-CD2 4.13Å; L337-L343 HydrophobicContact CD2-CD2 4.2Å; L337-L343 HydrophobicContact CD2-CG 3.83Å; L343-P352 HydrophobicContact CD1-CB 4.1Å; L343-P352 HydrophobicContact CD2-CB 4.36Å; L343-A353 WeakPolarHBondContact CA-O 3.41Å
344R90.2Very high86.2Confident134 Ų13472.4 Ų72.451%0.50638%0.375SS..EExtended strand (participates in β ladder)trans-131.9159.6166.7-64.3-63.6178.6-177.7-2.6109.6P352 A353 Y355 T375R344-P352 CarbonylContact O-C 3.59Å; R344-A353 PolarHBondContact N-O 3.14Å; R344-A353 WeakPolarHBondContact O-CB 3.32Å; R344-A353 PolarHBondContact O-N 2.94Å; R344-Y355 HydrophobicContact CG-CD1 4.41Å; R344-Y355 HydrophobicContact CG-CG 4.04Å; R344-T375 HydrophobicContact CG-CG2 4.4Å
345S90.1Very high86.5Confident76 Ų7671.1 Ų71.153%0.53136%0.359SS..EExtended strand (participates in β ladder)trans-80.1136.3172.4470000111.2
346C90.8Very high86.5Confident4 Ų471 Ų713%0.02734%0.344CS..  trans-76.7123.9176.9-177.60000111.3R348 C349 G350 S351 C364 F373C346-R348 PolarHBondContact O-N 2.86Å; C346-C349 PolarHBondContact O-N 3.29Å; C346-G350 WeakPolarHBondContact O-CA 3.39Å; C346-G350 PolarHBondContact O-N 3.18Å; C346-S351 VanDerWaalsContact CB-O 3.32Å; C346-S351 WeakPolarHBondContact CB-O 3.5Å; C346-S351 PolarHBondContact N-O 3.19Å; C346-C364 HydrophobicContact CB-CB 3.99Å; C346-F373 HydrophobicContact CB-CE1 4.44Å
347R85.8Confident86.4Confident148 Ų14868.2 Ų68.256%0.55833%0.332SS*.THydrogen-bonded Turntrans-45.7-36.7174.3-79.6-80.7-114.3-143.16.6114.6Q378R347-Q378 VanDerWaalsContact CD-OE1 3.22Å; R347-Q378 HydrophobicContact CG-CB 3.72Å
348R84.7Confident86.2Confident175 Ų17575.5 Ų75.566%0.6637%0.365SS*.THydrogen-bonded Turntrans-87.1-21.6-170.8-62.5-175.572.3-169.72.6114.6C346 F371C346-R348 PolarHBondContact O-N 2.86Å; R348-F371 VanDerWaalsContact CD-CD1 3.49Å; R348-F371 HydrophobicContact CG-CD1 3.76Å; R348-F371 HydrophobicContact CG-CE1 3.97Å; R348-F371 HydrophobicContact CG-CG 4.16Å
349C87Confident86Confident36 Ų3672.2 Ų72.224%0.24336%0.36CS..THydrogen-bonded Turntrans-149.4-1.1-172.865.30000115.8C346 S351 C369C346-C349 PolarHBondContact O-N 3.29Å; C349-S351 PolarHBondContact O-N 3.38Å; C349-C369 VanDerWaalsContact SG-SG 3.61Å
350G84.4Confident86.5Confident30 Ų3064.4 Ų64.431%0.30932%0.323SS..SBendtrans76.5-31.5-178.700000115.3F330 C346F330-G350 VanDerWaalsContact CE2-O 3.29Å; F330-G350 WeakPolarHBondContact CE2-O 3.3Å; F330-G350 VanDerWaalsContact CZ-O 3.32Å; F330-G350 WeakPolarHBondContact CZ-O 3.25Å; C346-G350 WeakPolarHBondContact O-CA 3.39Å; C346-G350 PolarHBondContact O-N 3.18Å
351S89.6Confident87.2Confident3 Ų362.4 Ų62.42%0.02131%0.31CS..  trans-51.7155.7178.3-65.90000113.6E329 C346 C349 R366E329-S351 PolarHBondContact OE2-OG 2.63Å; C346-S351 VanDerWaalsContact CB-O 3.32Å; C346-S351 WeakPolarHBondContact CB-O 3.5Å; C346-S351 PolarHBondContact N-O 3.19Å; C349-S351 PolarHBondContact O-N 3.38Å; S351-R366 PolarHBondContact OG-NH1 3.21Å
352P91.1Very high87.7Confident5 Ų561 Ų613%0.03230%0.304CS..EExtended strand (participates in β ladder)trans-59.9150.2-176.821.7-32.4000113.6F330 A333 L343 R344 C364 S365F330-P352 HydrophobicContact CD1-CB 4.03Å; F330-P352 HydrophobicContact CD2-CB 4.26Å; F330-P352 HydrophobicContact CD2-CG 4.27Å; F330-P352 HydrophobicContact CE1-CB 3.95Å; F330-P352 HydrophobicContact CE2-CB 4.21Å; F330-P352 HydrophobicContact CE2-CG 4.4Å; F330-P352 HydrophobicContact CG-CB 4.2Å; F330-P352 HydrophobicContact CG-CG 4.5Å; F330-P352 HydrophobicContact CZ-CB 4.06Å; A333-P352 HydrophobicContact CB-CB 3.93Å; A333-P352 HydrophobicContact CB-CG 3.74Å; L343-P352 HydrophobicContact CD1-CB 4.1Å; L343-P352 HydrophobicContact CD2-CB 4.36Å; R344-P352 CarbonylContact O-C 3.59Å; P352-C364 PolarHBondContact O-SG 3.37Å; P352-C364 VanDerWaalsContact O-SG 3.36Å; P352-S365 PolarHBondContact O-N 3.2Å; P352-S365 PolarHBondContact O-OG 3.46Å
353A92.8Very high87.8Confident0 Ų060.1 Ų60.10%030%0.297CS..EExtended strand (participates in β ladder)trans-135.9126.9176.600000109.9L343 R344 Y355 A362 T363 C364 F373L343-A353 WeakPolarHBondContact CA-O 3.41Å; R344-A353 PolarHBondContact N-O 3.14Å; R344-A353 WeakPolarHBondContact O-CB 3.32Å; R344-A353 PolarHBondContact O-N 2.94Å; A353-Y355 PolarHBondContact O-N 3.03Å; A353-A362 HydrophobicContact CB-CB 4.26Å; A353-T363 CarbonylContact C-O 3.59Å; A353-T363 WeakPolarHBondContact CA-O 3.34Å; A353-T363 WeakPolarHBondContact CB-O 3.47Å; A353-C364 HydrophobicContact CB-CB 4.43Å; A353-F373 HydrophobicContact CB-CE1 3.91Å; A353-F373 HydrophobicContact CB-CZ 4.19Å
354T91.1Very high87.9Confident31 Ų3158.5 Ų58.519%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-70122.5177-48.30000108.7L337 E341 W356 A362 T363L337-T354 HydrophobicContact CD1-CG2 4.12Å; E341-T354 HydrophobicContact CB-CG2 4.48Å; T354-W356 HydrophobicContact CG2-CH2 4.3Å; T354-W356 HydrophobicContact CG2-CZ2 3.96Å; T354-A362 CarbonylContact O-C 3.59Å; T354-A362 VanDerWaalsContact O-CA 3.25Å; T354-A362 WeakPolarHBondContact O-CA 3.32Å; T354-T363 PolarHBondContact N-O 3.03Å; T354-T363 PolarHBondContact O-N 3.09Å
355Y90.9Very high87.7Confident24 Ų2455.2 Ų55.29%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-111.7127.2-175.8163.9-110.7000111.3S342 R344 A353 A357 Q360 R361 A362 T375S342-Y355 PolarHBondContact N-O 3.07Å; S342-Y355 WeakPolarHBondContact O-CB 3.42Å; S342-Y355 PolarHBondContact O-N 3.4Å; S342-Y355 WeakPolarHBondContact OG-CD1 3.36Å; R344-Y355 HydrophobicContact CG-CD1 4.41Å; R344-Y355 HydrophobicContact CG-CG 4.04Å; A353-Y355 PolarHBondContact O-N 3.03Å; Y355-A357 HydrophobicContact CE1-CB 4.16Å; Y355-Q360 PolarHBondContact OH-NE2 3.05Å; Y355-Q360 VanDerWaalsContact OH-NE2 3.07Å; Y355-R361 WeakPolarHBondContact CA-O 3.47Å; Y355-R361 WeakPolarHBondContact CD2-O 3.4Å; Y355-A362 HydrophobicContact CD2-CB 4.3Å; Y355-T375 HydrophobicContact CD2-CG2 3.39Å; Y355-T375 HydrophobicContact CE2-CG2 3.56Å; Y355-T375 WeakPolarHBondContact CE2-OG1 3.36Å; Y355-T375 HydrophobicContact CG-CG2 4.35Å
356W86.2Confident87.6Confident93 Ų9357 Ų5735%0.35228%0.281SS..EExtended strand (participates in β ladder)trans-104114.8173.4-65.3-76.3000109.7T354 E358 Q360 R361T354-W356 HydrophobicContact CG2-CH2 4.3Å; T354-W356 HydrophobicContact CG2-CZ2 3.96Å; W356-E358 VanDerWaalsContact C-N 3.35Å; W356-E358 PolarHBondContact O-N 3.25Å; W356-Q360 PolarHBondContact O-N 3.2Å; W356-Q360 VanDerWaalsContact O-N 3.16Å; W356-R361 PolarHBondContact N-O 2.93Å; W356-R361 PolarHBondContact O-N 3.26Å
357A81.3Confident87.3Confident53 Ų5361.8 Ų61.844%0.43831%0.314SS..THydrogen-bonded Turntrans-63.4-38.4-175.600000112.9Y355 A359 Q360Y355-A357 HydrophobicContact CE1-CB 4.16Å; A357-A359 PolarHBondContact O-N 3.39Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-Q360 PolarHBondContact O-NE2 2.91Å
358E79.9Confident87.4Confident200 Ų20058.9 Ų58.994%0.93532%0.317SS*.THydrogen-bonded Turntrans-58.5-46.4-178.6-61.5172.4178.800112.4W356W356-E358 VanDerWaalsContact C-N 3.35Å; W356-E358 PolarHBondContact O-N 3.25Å
359A77.8Confident87.6Confident48 Ų4851.9 Ų51.940%0.39729%0.294SS..THydrogen-bonded Turntrans-89.9-4-179.100000113.9A357 R361A357-A359 PolarHBondContact O-N 3.39Å; A359-R361 HydrophobicContact CB-CB 3.79Å; A359-R361 PolarHBondContact O-N 3.26Å
360Q85.5Confident87.7Confident47 Ų4755.3 Ų55.322%0.2231%0.309CS..THydrogen-bonded Turntrans50.839.1-171-58.9-75.1-78.700112.3Y355 W356 A357 C374 T375 R376Y355-Q360 PolarHBondContact OH-NE2 3.05Å; Y355-Q360 VanDerWaalsContact OH-NE2 3.07Å; W356-Q360 PolarHBondContact O-N 3.2Å; W356-Q360 VanDerWaalsContact O-N 3.16Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-Q360 PolarHBondContact O-NE2 2.91Å; Q360-C374 CarbonylContact O-C 3.46Å; Q360-C374 WeakPolarHBondContact O-CA 3.42Å; Q360-C374 PolarHBondContact O-SG 3.26Å; Q360-C374 VanDerWaalsContact O-SG 3.4Å; Q360-T375 PolarHBondContact O-N 3Å; Q360-T375 PolarHBondContact O-OG1 3.49Å; Q360-R376 VanDerWaalsContact OE1-CZ 3.29Å
361R89.6Confident87.9Confident89 Ų8955.5 Ų55.534%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-122.1136.8-166.4-178.4-177-176.9-160.25.6110.3Y355 W356 A359 D372 F381Y355-R361 WeakPolarHBondContact CA-O 3.47Å; Y355-R361 WeakPolarHBondContact CD2-O 3.4Å; W356-R361 PolarHBondContact N-O 2.93Å; W356-R361 PolarHBondContact O-N 3.26Å; A359-R361 HydrophobicContact CB-CB 3.79Å; A359-R361 PolarHBondContact O-N 3.26Å; R361-D372 WeakPolarHBondContact CG-OD1 3.38Å; R361-D372 IonicContact CZ-OD1 2.67Å; R361-D372 IonicContact CZ-OD2 3.97Å; R361-D372 IonicContact NE-OD1 3.78Å; R361-D372 PolarHBondContact NE-OD1 3.28Å; R361-D372 IonicContact NE-OD2 2.69Å; R361-D372 PolarHBondContact NE-OD2 3.31Å; R361-D372 IonicContact NH2-OD1 3.55Å; R361-D372 IonicContact NH2-OD2 3.81Å; R361-D372 PolarHBondContact NH2-OD2 3.08Å; R361-F381 HydrophobicContact CB-CD2 3.82Å; R361-F381 HydrophobicContact CB-CE2 3.73Å; R361-F381 HydrophobicContact CB-CZ 4.42Å; R361-F381 HydrophobicContact CG-CB 4.49Å; R361-F381 HydrophobicContact CG-CD1 4.41Å; R361-F381 HydrophobicContact CG-CD2 3.61Å; R361-F381 HydrophobicContact CG-CE2 3.9Å; R361-F381 HydrophobicContact CG-CG 3.91Å; R361-F381 HydrophobicContact CG-CZ 4.4Å
362A91.8Very high88Confident0 Ų057.1 Ų57.10%031%0.31CS..EExtended strand (participates in β ladder)trans-131.7133.1173.800000111.2A353 T354 Y355 D372 F373 T375A353-A362 HydrophobicContact CB-CB 4.26Å; T354-A362 CarbonylContact O-C 3.59Å; T354-A362 VanDerWaalsContact O-CA 3.25Å; T354-A362 WeakPolarHBondContact O-CA 3.32Å; Y355-A362 HydrophobicContact CD2-CB 4.3Å; A362-D372 WeakPolarHBondContact O-CA 3.36Å; A362-F373 HydrophobicContact CB-CD1 4.32Å; A362-F373 HydrophobicContact CB-CD2 4.43Å; A362-F373 HydrophobicContact CB-CE1 3.82Å; A362-F373 HydrophobicContact CB-CE2 3.97Å; A362-F373 HydrophobicContact CB-CZ 3.64Å; A362-F373 PolarHBondContact N-O 3.27Å; A362-F373 WeakPolarHBondContact O-CD1 3.42Å; A362-F373 PolarHBondContact O-N 2.87Å; A362-T375 HydrophobicContact CB-CG2 3.78Å
363T92.3Very high88.1Confident31 Ų3157.1 Ų57.119%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-119.2127.1178-50.90000109.9A353 T354 S365 F371 D372A353-T363 CarbonylContact C-O 3.59Å; A353-T363 WeakPolarHBondContact CA-O 3.34Å; A353-T363 WeakPolarHBondContact CB-O 3.47Å; T354-T363 PolarHBondContact N-O 3.03Å; T354-T363 PolarHBondContact O-N 3.09Å; T363-S365 PolarHBondContact O-N 2.88Å; T363-F371 WeakPolarHBondContact CA-O 3.46Å; T363-D372 HydrophobicContact CG2-CB 4.33Å; T363-D372 PolarHBondContact OG1-OD1 3.48Å
364C92.4Very high87.9Confident2 Ų257.4 Ų57.41%0.01431%0.312CS..EExtended strand (participates in β ladder)trans-63.2128.2-179.4-169.90000111.6C346 P352 A353 R366 C369 F371C346-C364 HydrophobicContact CB-CB 3.99Å; P352-C364 PolarHBondContact O-SG 3.37Å; P352-C364 VanDerWaalsContact O-SG 3.36Å; A353-C364 HydrophobicContact CB-CB 4.43Å; C364-R366 VanDerWaalsContact C-N 3.25Å; C364-R366 PolarHBondContact O-N 3.33Å; C364-C369 HydrophobicContact CB-CB 4.3Å; C364-F371 PolarHBondContact N-O 2.82Å
365S87.2Confident87.7Confident65 Ų6557.3 Ų57.346%0.45531%0.311SS..  trans-73.1-19-179.361.50000113.1P352 T363 S367P352-S365 PolarHBondContact O-N 3.2Å; P352-S365 PolarHBondContact O-OG 3.46Å; T363-S365 PolarHBondContact O-N 2.88Å; S365-S367 PolarHBondContact O-N 2.76Å
366R87.2Confident87.4Confident114 Ų11462.1 Ų62.143%0.4333%0.329SS..  trans-69.5117.1179-178.6174.3173.7155.73.6111S351 C364 S368 C369 L370S351-R366 PolarHBondContact OG-NH1 3.21Å; C364-R366 VanDerWaalsContact C-N 3.25Å; C364-R366 PolarHBondContact O-N 3.33Å; R366-S368 PolarHBondContact NE-OG 2.87Å; R366-S368 PolarHBondContact O-N 3.38Å; R366-S368 VanDerWaalsContact O-N 3.13Å; R366-C369 HydrophobicContact CB-CB 4.35Å; R366-C369 PolarHBondContact O-N 3.28Å; R366-L370 PolarHBondContact O-N 3.43Å
367S85.9Confident87.4Confident103 Ų10358.7 Ų58.772%0.7232%0.319SS*.THydrogen-bonded Turntrans-53.4-31.5-179.555.80000115S365 C369S365-S367 PolarHBondContact O-N 2.76Å; S367-C369 VanDerWaalsContact C-N 3.26Å; S367-C369 PolarHBondContact O-N 2.85Å
368S86.7Confident87.6Confident88 Ų8859.9 Ų59.962%0.61532%0.316SS*.THydrogen-bonded Turntrans-82.85.2176.980.90000114.4R366R366-S368 PolarHBondContact NE-OG 2.87Å; R366-S368 PolarHBondContact O-N 3.38Å; R366-S368 VanDerWaalsContact O-N 3.13Å
369C89.1Confident87.8Confident28 Ų2855.4 Ų55.419%0.18930%0.295CS..THydrogen-bonded Turntrans-129.8-57.4-178-175.40000111C349 C364 R366 S367 F371C349-C369 VanDerWaalsContact SG-SG 3.61Å; C364-C369 HydrophobicContact CB-CB 4.3Å; R366-C369 HydrophobicContact CB-CB 4.35Å; R366-C369 PolarHBondContact O-N 3.28Å; S367-C369 VanDerWaalsContact C-N 3.26Å; S367-C369 PolarHBondContact O-N 2.85Å; C369-F371 PolarHBondContact O-N 2.91Å
370L88.5Confident88.3Confident107 Ų10756.3 Ų56.356%0.5630%0.297SS*.  trans44.623.7180-61.8175.6000114.9R366 D372R366-L370 PolarHBondContact O-N 3.43Å; L370-D372 PolarHBondContact O-N 3.33Å
371F89.9Confident88.4Confident35 Ų3556.7 Ų56.715%0.15430%0.298CS..  trans-74.6126.9-169.9-178.2-119000110.7R348 T363 C364 C369 F373 P380R348-F371 VanDerWaalsContact CD-CD1 3.49Å; R348-F371 HydrophobicContact CG-CD1 3.76Å; R348-F371 HydrophobicContact CG-CE1 3.97Å; R348-F371 HydrophobicContact CG-CG 4.16Å; T363-F371 WeakPolarHBondContact CA-O 3.46Å; C364-F371 PolarHBondContact N-O 2.82Å; C369-F371 PolarHBondContact O-N 2.91Å; F371-F373 HydrophobicContact CD1-CB 4.17Å; F371-F373 AromaticContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CG 4.39Å; F371-F373 HydrophobicContact CE1-CB 3.74Å; F371-F373 HydrophobicContact CE1-CD1 4.29Å; F371-F373 HydrophobicContact CE1-CG 4.3Å; F371-F373 HydrophobicContact CZ-CB 4.33Å; F371-P380 HydrophobicContact CE2-CB 4.41Å; F371-P380 HydrophobicContact CE2-CG 4.01Å; F371-P380 HydrophobicContact CZ-CB 4.48Å; F371-P380 HydrophobicContact CZ-CG 3.92Å
372D91.9Very high88.1Confident37 Ų3754.6 Ų54.620%0.19829%0.292CS..EExtended strand (participates in β ladder)trans-106.3116.6-176.1-175.434.4000110.7R361 A362 T363 L370 P380 F381R361-D372 WeakPolarHBondContact CG-OD1 3.38Å; R361-D372 IonicContact CZ-OD1 2.67Å; R361-D372 IonicContact CZ-OD2 3.97Å; R361-D372 IonicContact NE-OD1 3.78Å; R361-D372 PolarHBondContact NE-OD1 3.28Å; R361-D372 IonicContact NE-OD2 2.69Å; R361-D372 PolarHBondContact NE-OD2 3.31Å; R361-D372 IonicContact NH2-OD1 3.55Å; R361-D372 IonicContact NH2-OD2 3.81Å; R361-D372 PolarHBondContact NH2-OD2 3.08Å; A362-D372 WeakPolarHBondContact O-CA 3.36Å; T363-D372 HydrophobicContact CG2-CB 4.33Å; T363-D372 PolarHBondContact OG1-OD1 3.48Å; L370-D372 PolarHBondContact O-N 3.33Å; D372-P380 WeakPolarHBondContact O-CA 3.13Å; D372-F381 PolarHBondContact O-N 3.01Å; D372-F381 WeakPolarHBondContact OD2-CB 3.29Å
373F91.3Very high87.5Confident4 Ų459.2 Ų59.22%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-135.3149.2-170.464.6-82.1000112.6C346 A353 A362 F371 T375 Q378 E379C346-F373 HydrophobicContact CB-CE1 4.44Å; A353-F373 HydrophobicContact CB-CE1 3.91Å; A353-F373 HydrophobicContact CB-CZ 4.19Å; A362-F373 HydrophobicContact CB-CD1 4.32Å; A362-F373 HydrophobicContact CB-CD2 4.43Å; A362-F373 HydrophobicContact CB-CE1 3.82Å; A362-F373 HydrophobicContact CB-CE2 3.97Å; A362-F373 HydrophobicContact CB-CZ 3.64Å; A362-F373 PolarHBondContact N-O 3.27Å; A362-F373 WeakPolarHBondContact O-CD1 3.42Å; A362-F373 PolarHBondContact O-N 2.87Å; F371-F373 HydrophobicContact CD1-CB 4.17Å; F371-F373 AromaticContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CG 4.39Å; F371-F373 HydrophobicContact CE1-CB 3.74Å; F371-F373 HydrophobicContact CE1-CD1 4.29Å; F371-F373 HydrophobicContact CE1-CG 4.3Å; F371-F373 HydrophobicContact CZ-CB 4.33Å; F373-T375 HydrophobicContact CE2-CG2 4.35Å; F373-Q378 HydrophobicContact CD2-CB 4.47Å; F373-E379 CarbonylContact C-O 3.51Å; F373-E379 VanDerWaalsContact CA-O 3.23Å; F373-E379 WeakPolarHBondContact CA-O 3.34Å; F373-E379 VanDerWaalsContact CB-O 3.29Å; F373-E379 WeakPolarHBondContact CB-O 3.39Å
374C89.8Confident86.6Confident7 Ų763.7 Ų63.75%0.04736%0.356CS..EExtended strand (participates in β ladder)trans-81.6128.7170.7175.90000109.6Q360 R376 Q378 E379 F381Q360-C374 CarbonylContact O-C 3.46Å; Q360-C374 WeakPolarHBondContact O-CA 3.42Å; Q360-C374 PolarHBondContact O-SG 3.26Å; Q360-C374 VanDerWaalsContact O-SG 3.4Å; C374-R376 PolarHBondContact O-N 2.77Å; C374-R376 VanDerWaalsContact O-N 3.15Å; C374-Q378 WeakPolarHBondContact O-CA 3.49Å; C374-Q378 PolarHBondContact O-N 3.08Å; C374-E379 PolarHBondContact N-O 2.67Å; C374-F381 HydrophobicContact CB-CD2 4.26Å
375T86.6Confident85.9Confident28 Ų2866.7 Ų66.717%0.17238%0.377CS..THydrogen-bonded Turntrans-69.5-14-173.754.20000114.7R344 Y355 Q360 A362 F373R344-T375 HydrophobicContact CG-CG2 4.4Å; Y355-T375 HydrophobicContact CD2-CG2 3.39Å; Y355-T375 HydrophobicContact CE2-CG2 3.56Å; Y355-T375 WeakPolarHBondContact CE2-OG1 3.36Å; Y355-T375 HydrophobicContact CG-CG2 4.35Å; Q360-T375 PolarHBondContact O-N 3Å; Q360-T375 PolarHBondContact O-OG1 3.49Å; A362-T375 HydrophobicContact CB-CG2 3.78Å; F373-T375 HydrophobicContact CE2-CG2 4.35Å
376R85.1Confident85.4Confident125 Ų12568.8 Ų68.847%0.47239%0.389SS..THydrogen-bonded Turntrans-84-35.2-178.2-65.4-172.1177.1-172.20114.6Q360 C374 T389Q360-R376 VanDerWaalsContact OE1-CZ 3.29Å; C374-R376 PolarHBondContact O-N 2.77Å; C374-R376 VanDerWaalsContact O-N 3.15Å; R376-T389 PolarHBondContact O-OG1 3.24Å; R376-T389 VanDerWaalsContact O-OG1 3.05Å
377C84.8Confident85.1Confident21 Ų2164 Ų6414%0.14237%0.374CS..THydrogen-bonded Turntrans-105.6-24.9174.149.90000111.9E379 H382 T389C377-E379 HydrophobicContact CB-CB 4.22Å; C377-E379 HydrophobicContact CB-CG 4.18Å; C377-E379 PolarHBondContact O-N 2.7Å; C377-H382 PolarHBondContact SG-NE2 3.44Å; C377-T389 WeakPolarHBondContact CA-OG1 3.19Å; C377-T389 WeakPolarHBondContact CB-OG1 3.35Å
378Q85.4Confident84.4Confident79 Ų7970 Ų7037%0.36938%0.38SS..  trans62.524.2-173.4-49.1-179.223.900113.4R347 F373 C374R347-Q378 VanDerWaalsContact CD-OE1 3.22Å; R347-Q378 HydrophobicContact CG-CB 3.72Å; F373-Q378 HydrophobicContact CD2-CB 4.47Å; C374-Q378 WeakPolarHBondContact O-CA 3.49Å; C374-Q378 PolarHBondContact O-N 3.08Å
379E85.3Confident83.4Confident105 Ų10570.2 Ų70.249%0.49138%0.378SS..SBendtrans-94.5166.8169.5-70.7-58.3146.900111F373 C374 C377 F381F373-E379 CarbonylContact C-O 3.51Å; F373-E379 VanDerWaalsContact CA-O 3.23Å; F373-E379 WeakPolarHBondContact CA-O 3.34Å; F373-E379 VanDerWaalsContact CB-O 3.29Å; F373-E379 WeakPolarHBondContact CB-O 3.39Å; C374-E379 PolarHBondContact N-O 2.67Å; C377-E379 HydrophobicContact CB-CB 4.22Å; C377-E379 HydrophobicContact CB-CG 4.18Å; C377-E379 PolarHBondContact O-N 2.7Å; E379-F381 PolarHBondContact O-N 3.28Å
380P88.4Confident81.9Confident68 Ų6871.6 Ų71.644%0.44239%0.386SS..BIsolated β-bridgetrans-48139175-27.434000113F371 D372 H382F371-P380 HydrophobicContact CE2-CB 4.41Å; F371-P380 HydrophobicContact CE2-CG 4.01Å; F371-P380 HydrophobicContact CZ-CB 4.48Å; F371-P380 HydrophobicContact CZ-CG 3.92Å; D372-P380 WeakPolarHBondContact O-CA 3.13Å; P380-H382 PolarHBondContact O-CE1 3.31Å; P380-H382 PolarHBondContact O-N 3.26Å; P380-H382 PolarHBondContact O-ND1 3.23Å
381F87.4Confident80.2Confident54 Ų5475.5 Ų75.524%0.23740%0.398CS..PPolyproline II helixtrans-56.6133-172179.4-110.4000112.6R361 D372 C374 E379R361-F381 HydrophobicContact CB-CD2 3.82Å; R361-F381 HydrophobicContact CB-CE2 3.73Å; R361-F381 HydrophobicContact CB-CZ 4.42Å; R361-F381 HydrophobicContact CG-CB 4.49Å; R361-F381 HydrophobicContact CG-CD1 4.41Å; R361-F381 HydrophobicContact CG-CD2 3.61Å; R361-F381 HydrophobicContact CG-CE2 3.9Å; R361-F381 HydrophobicContact CG-CG 3.91Å; R361-F381 HydrophobicContact CG-CZ 4.4Å; D372-F381 PolarHBondContact O-N 3.01Å; D372-F381 WeakPolarHBondContact OD2-CB 3.29Å; C374-F381 HydrophobicContact CB-CD2 4.26Å; E379-F381 PolarHBondContact O-N 3.28Å
382H83Confident77.9Confident46 Ų4677.3 Ų77.321%0.21341%0.413CS..  trans-88.4-3.4-163.8-68.5-25000115.3C377 P380 S384 S385C377-H382 PolarHBondContact SG-NE2 3.44Å; P380-H382 PolarHBondContact O-CE1 3.31Å; P380-H382 PolarHBondContact O-N 3.26Å; P380-H382 PolarHBondContact O-ND1 3.23Å; H382-S384 PolarHBondContact O-N 2.85Å; H382-S385 WeakPolarHBondContact CB-O 3.36Å; H382-S385 WeakPolarHBondContact CB-OG 3.37Å; H382-S385 PolarHBondContact O-N 3.35Å; H382-S385 PolarHBondContact O-OG 3.08Å
383S78.6Confident75.5Confident96 Ų9682.8 Ų82.867%0.67144%0.437SS*.THydrogen-bonded Turntrans51.3-101.6-178.7-63.50000113.4
384S74.3Confident72.9Confident125 Ų12590.2 Ų90.287%0.87447%0.47SS*.THydrogen-bonded Turntrans-96.8-6.3-179.752.20000114.3H382H382-S384 PolarHBondContact O-N 2.85Å
385S78.1Confident70.6Confident65 Ų6598 Ų9846%0.45551%0.505SS..SBendtrans-89.1141.2-17864.50000112.3H382 C387H382-S385 WeakPolarHBondContact CB-O 3.36Å; H382-S385 WeakPolarHBondContact CB-OG 3.37Å; H382-S385 PolarHBondContact O-N 3.35Å; H382-S385 PolarHBondContact O-OG 3.08Å; S385-C387 PolarHBondContact O-N 2.88Å
386P76.4Confident68.3Low109 Ų109102 Ų10271%0.70854%0.535SS*.PPolyproline II helixtrans-69.5132.2-178.727.7-34.2000111.3R388P386-R388 PolarHBondContact O-N 3Å
387C80.9Confident66Low15 Ų1599.1 Ų99.110%0.10154%0.544CS..PPolyproline II helixtrans-61.8123.3177.8178.70000111.6S385 T389 V390S385-C387 PolarHBondContact O-N 2.88Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 VanDerWaalsContact O-N 3.14Å; C387-V390 HydrophobicContact CB-CG2 4.17Å; C387-V390 CarbonylContact O-C 3.59Å; C387-V390 VanDerWaalsContact O-C 3.28Å; C387-V390 VanDerWaalsContact O-CA 3.28Å; C387-V390 WeakPolarHBondContact O-CA 3.43Å; C387-V390 WeakPolarHBondContact O-CB 3.46Å; C387-V390 PolarHBondContact O-N 3.24Å; C387-V390 VanDerWaalsContact O-O 3.05Å
388R70.6Confident63.9Low228 Ų228104.1 Ų104.186%0.8658%0.575SS**THydrogen-bonded Turntrans-59.4-27.9-175.2-65.4-174.6177.7-158.1-0.1114.4P386 V390P386-R388 PolarHBondContact O-N 3Å; R388-V390 VanDerWaalsContact C-N 3.26Å; R388-V390 PolarHBondContact O-N 3.33Å
389T67Low62Low93 Ų93105.6 Ų105.657%0.57159%0.594SS**THydrogen-bonded Turntrans-66.1-31.9172.7-37.60000111.6R376 C377 C387 K391R376-T389 PolarHBondContact O-OG1 3.24Å; R376-T389 VanDerWaalsContact O-OG1 3.05Å; C377-T389 WeakPolarHBondContact CA-OG1 3.19Å; C377-T389 WeakPolarHBondContact CB-OG1 3.35Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 VanDerWaalsContact O-N 3.14Å; T389-K391 VanDerWaalsContact C-N 3.31Å; T389-K391 PolarHBondContact O-N 3.43Å
390V57.5Low60.4Low57 Ų57110.5 Ų110.535%0.34561%0.614SS.*  trans-84.877.4167.2-168.30000107.7C387 R388 P392C387-V390 HydrophobicContact CB-CG2 4.17Å; C387-V390 CarbonylContact O-C 3.59Å; C387-V390 VanDerWaalsContact O-C 3.28Å; C387-V390 VanDerWaalsContact O-CA 3.28Å; C387-V390 WeakPolarHBondContact O-CA 3.43Å; C387-V390 WeakPolarHBondContact O-CB 3.46Å; C387-V390 PolarHBondContact O-N 3.24Å; C387-V390 VanDerWaalsContact O-O 3.05Å; R388-V390 VanDerWaalsContact C-N 3.26Å; R388-V390 PolarHBondContact O-N 3.33Å; V390-P392 WeakPolarHBondContact O-CD 3.43Å; V390-P392 VanDerWaalsContact O-N 3.17Å
391K52.3Low58.8Low189 Ų189113.5 Ų113.582%0.82262%0.622SS**  trans-62.7110.8153.5-76-174.3178.41800106.4T389 H393T389-K391 VanDerWaalsContact C-N 3.31Å; T389-K391 PolarHBondContact O-N 3.43Å; K391-H393 PolarHBondContact O-N 3.06Å
392P42.3Very low57.6Low73 Ų73116 Ų11647%0.47464%0.642SS.*  trans-62.7130164.429.7-33.6000106.6V390 F394V390-P392 WeakPolarHBondContact O-CD 3.43Å; V390-P392 VanDerWaalsContact O-N 3.17Å; P392-F394 HydrophobicContact CB-CD2 3.55Å; P392-F394 HydrophobicContact CB-CE2 3.57Å; P392-F394 HydrophobicContact CB-CG 4.28Å; P392-F394 HydrophobicContact CB-CZ 4.31Å; P392-F394 HydrophobicContact CG-CD2 3.53Å; P392-F394 HydrophobicContact CG-CE2 3.72Å; P392-F394 PolarHBondContact O-N 2.72Å
393H39.9Very low56.6Low151 Ų151119.2 Ų119.270%0.69967%0.667SS**  trans-76.752.6175.4-164.8-73.9000110.5K391 H395K391-H393 PolarHBondContact O-N 3.06Å; H393-H395 AromaticContact CE1-CE1 3.51Å; H393-H395 AromaticContact CE1-ND1 3.75Å; H393-H395 AromaticContact CE1-NE2 3.81Å; H393-H395 AromaticContact ND1-CD2 3.77Å; H393-H395 AromaticContact ND1-CE1 3.64Å; H393-H395 AromaticContact ND1-NE2 3.45Å; H393-H395 PolarHBondContact ND1-NE2 3.39Å; H393-H395 PolarHBondContact O-CD2 2.91Å; H393-H395 PolarHBondContact O-N 3.23Å
394F36.9Very low55.8Low161 Ų161119.1 Ų119.171%0.70666%0.658SS**  trans-67.3114163.3-68-52.2000107.3P392 S396P392-F394 HydrophobicContact CB-CD2 3.55Å; P392-F394 HydrophobicContact CB-CE2 3.57Å; P392-F394 HydrophobicContact CB-CG 4.28Å; P392-F394 HydrophobicContact CB-CZ 4.31Å; P392-F394 HydrophobicContact CG-CD2 3.53Å; P392-F394 HydrophobicContact CG-CE2 3.72Å; P392-F394 PolarHBondContact O-N 2.72Å; F394-S396 WeakPolarHBondContact O-CB 3.47Å; F394-S396 PolarHBondContact O-N 3.3Å; F394-S396 PolarHBondContact O-OG 3.39Å
395H42Very low55.7Low171 Ų171119 Ų11979%0.79265%0.647SS**  trans-60.494.7-177.3-66.4-105.4000109.6H393H393-H395 AromaticContact CE1-CE1 3.51Å; H393-H395 AromaticContact CE1-ND1 3.75Å; H393-H395 AromaticContact CE1-NE2 3.81Å; H393-H395 AromaticContact ND1-CD2 3.77Å; H393-H395 AromaticContact ND1-CE1 3.64Å; H393-H395 AromaticContact ND1-NE2 3.45Å; H393-H395 PolarHBondContact ND1-NE2 3.39Å; H393-H395 PolarHBondContact O-CD2 2.91Å; H393-H395 PolarHBondContact O-N 3.23Å
396S38.1Very low54.5Low112 Ų112121.6 Ų121.678%0.78366%0.662SS**  trans-120.783.4-169.339.70000110.4F394F394-S396 WeakPolarHBondContact O-CB 3.47Å; F394-S396 PolarHBondContact O-N 3.3Å; F394-S396 PolarHBondContact O-OG 3.39Å
397G36Very low54Low64 Ų64118.2 Ų118.266%0.6665%0.647SS**  trans84.8128.5176.100000114.1S399G397-S399 PolarHBondContact O-N 2.97Å
398P42.5Very low53.8Low125 Ų125119.2 Ų119.281%0.81265%0.654SS**  trans-69113.6164.128.9-31.1000108.8K400P398-K400 PolarHBondContact O-N 2.96Å
399S44.7Very low53.9Low110 Ų110111.4 Ų111.477%0.76964%0.638SS**  trans-54.3137.5159.5-176.30000108.4G397 E401G397-S399 PolarHBondContact O-N 2.97Å; S399-E401 PolarHBondContact O-N 3.46Å
400K51.9Low54Low208 Ų208113.3 Ų113.390%0.90464%0.635SS**SBendtrans-75.633.6-167.1-63.4-177.5179.8176.70114.3P398 T402P398-K400 PolarHBondContact O-N 2.96Å; K400-T402 PolarHBondContact O-N 3.15Å
401E54.9Low54.8Low131 Ų131111.9 Ų111.961%0.61263%0.627SS**  trans-79.1110168.1-174.7144.1-132.100109.3S399 R410S399-E401 PolarHBondContact O-N 3.46Å; E401-R410 IonicContact OE1-CZ 3.19Å; E401-R410 IonicContact OE1-NH1 3.72Å; E401-R410 PolarHBondContact OE1-NH1 3.48Å; E401-R410 IonicContact OE1-NH2 2.87Å; E401-R410 PolarHBondContact OE1-NH2 3.46Å
402T61.8Low55.8Low107 Ų107109.2 Ų109.266%0.65662%0.616SS**  trans-63.8135.3-179.546.80000110.6K400 I404K400-T402 PolarHBondContact O-N 3.15Å; T402-I404 PolarHBondContact O-N 2.81Å
403P62.4Low57.2Low113 Ų113114.7 Ų114.773%0.73463%0.627SS**  trans-59.5127.9-179.724.1-33.4000109.6I405P403-I405 PolarHBondContact O-N 2.96Å
404I61.7Low58.3Low94 Ų94112.9 Ų112.948%0.48262%0.622SS.*  trans-72.192.7-173.2-58.1179.3000109.2T402T402-I404 PolarHBondContact O-N 2.81Å
405I72.4Confident59.8Low124 Ų124109.9 Ų109.964%0.63662%0.617SS**  trans-57.3128.7179-54.8178.9000109.2P403 G407 S408P403-I405 PolarHBondContact O-N 2.96Å; I405-G407 PolarHBondContact O-N 3.06Å; I405-S408 WeakPolarHBondContact O-CB 3.27Å; I405-S408 PolarHBondContact O-N 3.45Å; I405-S408 PolarHBondContact O-OG 2.85Å
406P52.6Low60.6Low118 Ų118110.7 Ų110.777%0.76662%0.618SS**THydrogen-bonded Turntrans-53.3131.5174.6-2835.9000111.8S408P406-S408 VanDerWaalsContact C-N 3.3Å; P406-S408 PolarHBondContact O-N 3.41Å
407G64.4Low61.6Low38 Ų38115.8 Ų115.839%0.39262%0.62SS.*THydrogen-bonded Turntrans82.1-2.3-178.400000115.7I405 S411 K412I405-G407 PolarHBondContact O-N 3.06Å; G407-S411 PolarHBondContact N-OG 3Å; G407-K412 WeakPolarHBondContact O-CD 3.34Å; G407-K412 WeakPolarHBondContact O-CE 3.47Å; G407-K412 PolarHBondContact O-NZ 3.06Å
408S77.7Confident62.1Low36 Ų36122.6 Ų122.625%0.25264%0.641SS.*SBendtrans-59.2161.6166.263.10000112.2I405 P406 R410 S411 K412I405-S408 WeakPolarHBondContact O-CB 3.27Å; I405-S408 PolarHBondContact O-N 3.45Å; I405-S408 PolarHBondContact O-OG 2.85Å; P406-S408 VanDerWaalsContact C-N 3.3Å; P406-S408 PolarHBondContact O-N 3.41Å; S408-R410 PolarHBondContact O-N 3Å; S408-S411 WeakPolarHBondContact O-CB 3.5Å; S408-S411 PolarHBondContact O-N 3.31Å; S408-S411 VanDerWaalsContact OG-CB 3.31Å; S408-S411 WeakPolarHBondContact OG-CB 3.48Å; S408-S411 PolarHBondContact OG-N 3.32Å; S408-K412 PolarHBondContact O-N 2.96Å
409A71.9Confident63.1Low64 Ų64122.5 Ų122.553%0.52963%0.632SS.*Hα-helixtrans-61.1-32.6177.200000113R413A409-R413 WeakPolarHBondContact O-CG 3.21Å; A409-R413 PolarHBondContact O-N 2.99Å; A409-R413 VanDerWaalsContact O-N 3.15Å
410R70.5Confident64.1Low133 Ų133123.2 Ų123.250%0.50263%0.625SS.*Hα-helixtrans-69.3-44.9175.2-153176.1-174.1-148.71110.8E401 S408 R413 N414E401-R410 IonicContact OE1-CZ 3.19Å; E401-R410 IonicContact OE1-NH1 3.72Å; E401-R410 PolarHBondContact OE1-NH1 3.48Å; E401-R410 IonicContact OE1-NH2 2.87Å; E401-R410 PolarHBondContact OE1-NH2 3.46Å; S408-R410 PolarHBondContact O-N 3Å; R410-R413 PolarHBondContact O-N 3.47Å; R410-N414 PolarHBondContact O-N 2.68Å
411S74.7Confident64.8Low27 Ų27118.4 Ų118.419%0.18961%0.609CS.*Hα-helixtrans-57-52171.9169.50000112.1G407 S408 R413 N414 V415G407-S411 PolarHBondContact N-OG 3Å; S408-S411 WeakPolarHBondContact O-CB 3.5Å; S408-S411 PolarHBondContact O-N 3.31Å; S408-S411 VanDerWaalsContact OG-CB 3.31Å; S408-S411 WeakPolarHBondContact OG-CB 3.48Å; S408-S411 PolarHBondContact OG-N 3.32Å; S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 3.27Å; S411-N414 PolarHBondContact O-N 2.75Å; S411-V415 PolarHBondContact O-N 3.01Å; S411-V415 VanDerWaalsContact O-N 3.13Å
412K73.1Confident65.3Low133 Ų133117.7 Ų117.758%0.57861%0.609SS**Hα-helixtrans-63.2-31.4-177.9-76.1169.2172.1151.50114.1G407 S408 K416G407-K412 WeakPolarHBondContact O-CD 3.34Å; G407-K412 WeakPolarHBondContact O-CE 3.47Å; G407-K412 PolarHBondContact O-NZ 3.06Å; S408-K412 PolarHBondContact O-N 2.96Å; K412-K416 PolarHBondContact O-N 3.26Å
413R70.8Confident65.6Low189 Ų189118.4 Ų118.471%0.71361%0.606SS**Hα-helixtrans-70.2-31.7172.8-76.1178.7-174.9139.2-0.3112.8A409 R410 S411A409-R413 WeakPolarHBondContact O-CG 3.21Å; A409-R413 PolarHBondContact O-N 2.99Å; A409-R413 VanDerWaalsContact O-N 3.15Å; R410-R413 PolarHBondContact O-N 3.47Å; S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 3.27Å
414N62.8Low65.8Low113 Ų113118.7 Ų118.760%0.60460%0.598SS**Hα-helixtrans-74.7-40.3178.2-126.138.5000112R410 S411 K416 R417R410-N414 PolarHBondContact O-N 2.68Å; S411-N414 PolarHBondContact O-N 2.75Å; N414-K416 PolarHBondContact O-N 3.21Å; N414-R417 PolarHBondContact O-N 3.48Å
415V68.8Low66.1Low98 Ų98120.5 Ų120.559%0.59461%0.606SS**Hα-helixtrans-65.6-25176-177.20000112.2S411 R417S411-V415 PolarHBondContact O-N 3.01Å; S411-V415 VanDerWaalsContact O-N 3.13Å; V415-R417 PolarHBondContact O-N 3.12Å
416K59.4Low65.6Low188 Ų188120.2 Ų120.282%0.81760%0.604SS**THydrogen-bonded Turntrans-79.54.8171.8-78.9-164.5172-164.40114.9K412 N414K412-K416 PolarHBondContact O-N 3.26Å; N414-K416 PolarHBondContact O-N 3.21Å
417R57.6Low66.7Low218 Ų218120.4 Ų120.482%0.82359%0.59SS**THydrogen-bonded Turntrans-115.28.3175.7-76.7-178.1161.8-171.4-6.6112.8N414 V415N414-R417 PolarHBondContact O-N 3.48Å; V415-R417 PolarHBondContact O-N 3.12Å
418L48.1Very low66.9Low208 Ų208127.9 Ų127.9100%1.08961%0.608SS**  trans-114.10169.3-62.9173.4000108.1

Retrieved 418 of 418 residues in 475.9 ms (Link to these results)