A0A087XU44_POEFO Loading...

Transcription factor ETV6

Transcriptional repressor; binds to the DNA sequence 5'-CCGGAAGT-3'. Plays a role in hematopoiesis and malignant transformation.

AlphaFold DB , UniProt , Accession A0A087XU44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low36.2Very low230 Ų230125.9 Ų125.9100%1.13382%0.817SS**  068.30-62.8175.8-179.700106.8
2S36.3Very low36.4Very low94 Ų94130.9 Ų130.966%0.65782%0.816SS**  cis67125.935-53.30000112.4
3E35Very low36.3Very low167 Ų167132.9 Ų132.978%0.7881%0.81SS**  cis-161.5167.2-9.3-130.2148.8112.700112.6
4S38.3Very low36.1Very low98 Ų98132.1 Ų132.169%0.68579%0.792SS**  trans-12.3167.5143.9-52.30000119.4
5S37.3Very low36Very low108 Ų108137.5 Ų137.576%0.75579%0.793SS**  cis176.3156.6-21.7-86.20000108.2
6S33.6Very low35.7Very low117 Ų117134.6 Ų134.682%0.81878%0.783SS**  trans72156.4149.6-142.40000122.2
7S34.2Very low35.7Very low104 Ų104132.6 Ų132.673%0.72778%0.779SS**  trans-57.2159.3177.157.10000117.9
8A34.8Very low35.6Very low104 Ų104136.3 Ų136.386%0.8678%0.784SS**  -159.4153.9125.800000112
9A36.8Very low35.7Very low105 Ų105134.8 Ų134.887%0.86878%0.782SS**  trans-122.7147.6163.300000109.1
10A35.9Very low36.8Very low109 Ų109133.8 Ų133.890%0.90178%0.78SS**  trans-149.8149.8176.600000111.8
11N33Very low36.6Very low149 Ų149132.8 Ų132.880%0.79778%0.781SS**  trans-142.6145.1-174.5-177.913.4000109.8
12K37.5Very low36.3Very low186 Ų186125.7 Ų125.781%0.80976%0.759SS**  trans-177.1134.4167.9-99.4147.9-175.4-175.70107.9
13Q35.4Very low36.3Very low157 Ų157128 Ų12873%0.73476%0.763SS**  61.8137.463.5-79.1178.1-111.500113.6
14E33.3Very low36.1Very low121 Ų121126.8 Ų126.857%0.56576%0.762SS**  cis-153.8178.314.5-141.5173.3113.900113.4
15R34.8Very low36.4Very low214 Ų214129.3 Ų129.381%0.80877%0.767SS**  trans13.1158.3142.1-92.4153.1146-174.3-3.7122
16S32Very low37.7Very low91 Ų91129.2 Ų129.264%0.63676%0.763SS**  cis-160.1160.7850.80000113.8
17S35.7Very low37.5Very low101 Ų101130.8 Ų130.871%0.70676%0.763SS**  trans12.1140.2140.6-430000121.2
18F33.2Very low37.5Very low199 Ų199130.3 Ų130.387%0.87376%0.76SS**  -170.5146.9116.6-102-67.8000114.3
19S37.5Very low37.5Very low107 Ų107132.7 Ų132.775%0.74876%0.764SS**  trans-148.8171.8165.2-75.10000105.3
20P57.5Low37.5Very low114 Ų114132.6 Ų132.674%0.7476%0.756SS**  cis-144.2-174.719.244.4-25.5000116.1
21S33.9Very low37.5Very low113 Ų113132.9 Ų132.979%0.7975%0.752SS**  trans152124.3139.3-67.60000109.1
22A36.3Very low38.3Very low82 Ų82131 Ų13168%0.67875%0.747SS**  cis91.4104.827.100000115.3
23N35.5Very low38.3Very low141 Ų141128 Ų12875%0.75475%0.745SS**  160.6132.7118.5-86.1-21.7000116.4
24L32.1Very low38.2Very low143 Ų143129 Ų12975%0.74975%0.749SS**  trans65.1147.5135.1-58.9176.5000119.7
25L44.5Very low38.5Very low151 Ų151127.1 Ų127.179%0.79175%0.754SS**  cis-155.7172.3-0.5-103.2155.2000110
26P63.6Low38.6Very low105 Ų105122.6 Ų122.668%0.68275%0.752SS**  trans-114.6168.6-17542-33.6000116.4
27N30.5Very low38.5Very low151 Ų151122.5 Ų122.581%0.80776%0.758SS**  trans-164.5140.5147.5-108.2-14000108.6
28S34.3Very low38.4Very low94 Ų94122.6 Ų122.666%0.65776%0.764SS**  cis98.5107.339-62.20000113.4
29T33.4Very low38.5Very low154 Ų154124.1 Ų124.195%0.94576%0.764SS**  trans-170166.3147.68.60000110.3
30S36.8Very low38.4Very low102 Ų102124.4 Ų124.471%0.71376%0.764SS**  trans-146.2141-15657.70000115.9
31S35.7Very low37.2Very low115 Ų115123.9 Ų123.980%0.80477%0.769SS**  trans69.7162.9143.8-74.60000119.4
32P50.5Low37.2Very low109 Ų109123.2 Ų123.271%0.70876%0.764SS**  cis-138.3-170.7-20.936.9-16.4000114.9
33V36.9Very low37.1Very low125 Ų125128.7 Ų128.776%0.75877%0.767SS**  trans56.5103.3160.7-168.70000119.3
34H35.1Very low36.9Very low177 Ų177129.8 Ų129.882%0.81977%0.77SS**  -158.8124.8108.2-129.6-61.4000111.8
35A37.7Very low37.1Very low81 Ų81128.6 Ų128.667%0.66976%0.76SS**  trans-90.4151.715500000108.1
36P37Very low36.9Very low119 Ų119128.1 Ų128.177%0.77376%0.759SS**  -146.1-177.793.740.1-25.7000114.4
37A31.8Very low35.9Very low90 Ų90127.3 Ų127.374%0.74475%0.746SS**  trans6085163.800000116.1R39A37-R39 PolarHBondContact O-N 2.63Å
38A33.6Very low36.4Very low103 Ų103124 Ų12485%0.85173%0.733SS**  trans-56.2105.415400000109.1
39R33.6Very low37.3Very low231 Ų231122.1 Ų122.187%0.87272%0.723SS**  trans-60131.1157.5-71179.7174174.5-2.2106.3A37 A41A37-R39 PolarHBondContact O-N 2.63Å; R39-A41 PolarHBondContact O-N 2.95Å
40P36.4Very low38.4Very low113 Ų113122.4 Ų122.473%0.73471%0.706SS**  trans-56.7132.2164.526.2-32.3000106.7S42P40-S42 PolarHBondContact O-N 2.74Å
41A32.6Very low39.8Very low102 Ų102118.5 Ų118.584%0.84368%0.678SS**  trans-67.380.6162.300000106.6R39 R43R39-A41 PolarHBondContact O-N 2.95Å; A41-R43 PolarHBondContact O-N 2.75Å
42S33.3Very low41.2Very low99 Ų99115.3 Ų115.369%0.69265%0.654SS**  trans-63.185.9161.5-172.10000105.6P40 M44P40-S42 PolarHBondContact O-N 2.74Å; S42-M44 PolarHBondContact O-N 3.22Å
43R34.4Very low41.5Very low197 Ų197113.5 Ų113.574%0.74365%0.648SS**  trans-48.995.4156.1170.1178164.9157.4-4.8105A41 E45A41-R43 PolarHBondContact O-N 2.75Å; R43-E45 IonicContact CZ-OE1 2.72Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 PolarHBondContact NE-OE1 3.03Å; R43-E45 IonicContact NH2-OE1 3.03Å; R43-E45 PolarHBondContact NH2-OE1 2.84Å; R43-E45 PolarHBondContact O-N 3.07Å
44M30.8Very low42.6Very low164 Ų164111.2 Ų111.281%0.80863%0.629SS**  trans-61.297.7163.8-78.5176.856.400104.9S42 D46S42-M44 PolarHBondContact O-N 3.22Å; M44-D46 PolarHBondContact O-N 2.82Å
45E36.2Very low44.1Very low119 Ų119102.8 Ų102.856%0.55659%0.59SS**  trans-58.598.8156.3-63.1-91.9101.700104.3R43 E47R43-E45 IonicContact CZ-OE1 2.72Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 PolarHBondContact NE-OE1 3.03Å; R43-E45 IonicContact NH2-OE1 3.03Å; R43-E45 PolarHBondContact NH2-OE1 2.84Å; R43-E45 PolarHBondContact O-N 3.07Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.93Å
46D41.5Very low45.2Very low141 Ų141105 Ų10575%0.75458%0.581SS**  trans-60.2105.6158.9-161.7-99.5000104.7M44 P48M44-D46 PolarHBondContact O-N 2.82Å; D46-P48 WeakPolarHBondContact O-CD 2.93Å
47E42.3Very low46.4Very low87 Ų87104.5 Ų104.541%0.40757%0.571SS.*  trans-113.763.6-168.4-131.2-82.2103.300109.1E45 R50E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.93Å; E47-R50 VanDerWaalsContact OE1-CD 3.32Å; E47-R50 WeakPolarHBondContact OE1-CD 3.48Å; E47-R50 VanDerWaalsContact OE1-CG 3.28Å; E47-R50 WeakPolarHBondContact OE1-CG 3.06Å; E47-R50 IonicContact OE1-CZ 3.18Å; E47-R50 IonicContact OE1-NE 3.33Å; E47-R50 PolarHBondContact OE1-NE 2.85Å; E47-R50 IonicContact OE1-NH1 3.25Å; E47-R50 PolarHBondContact OE1-NH1 3.12Å; E47-R50 IonicContact OE1-NH2 2.78Å; E47-R50 PolarHBondContact OE1-NH2 2.97Å; E47-R50 WeakPolarHBondContact OE2-CD 3.1Å; E47-R50 WeakPolarHBondContact OE2-CG 3.02Å; E47-R50 IonicContact OE2-CZ 2.63Å; E47-R50 VanDerWaalsContact OE2-CZ 3.25Å; E47-R50 IonicContact OE2-NE 2.91Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH1 2.71Å; E47-R50 PolarHBondContact OE2-NH1 3.43Å
48P40.3Very low48.4Very low82 Ų82103.8 Ų103.853%0.53255%0.553SS.*THydrogen-bonded Turntrans-66.3153.7-176.229.5-36.4000111.5D46 R50D46-P48 WeakPolarHBondContact O-CD 2.93Å; P48-R50 VanDerWaalsContact C-N 3.29Å; P48-R50 PolarHBondContact O-N 2.78Å
49A52.6Low50.9Low55 Ų5599 Ų9946%0.45551%0.513SS..THydrogen-bonded Turntrans60.49.9167.400000119.3L51 E77A49-L51 PolarHBondContact O-N 2.62Å; A49-E77 WeakPolarHBondContact CA-OE1 3.3Å; A49-E77 HydrophobicContact CB-CG 4.47Å; A49-E77 PolarHBondContact N-OE1 2.71Å
50R58Low53.3Low159 Ų15990.1 Ų90.160%0.648%0.484SS*.  trans-75.499.1168.3-79.7-153.6-159133.53.8112.6E47 P48E47-R50 VanDerWaalsContact OE1-CD 3.32Å; E47-R50 WeakPolarHBondContact OE1-CD 3.48Å; E47-R50 VanDerWaalsContact OE1-CG 3.28Å; E47-R50 WeakPolarHBondContact OE1-CG 3.06Å; E47-R50 IonicContact OE1-CZ 3.18Å; E47-R50 IonicContact OE1-NE 3.33Å; E47-R50 PolarHBondContact OE1-NE 2.85Å; E47-R50 IonicContact OE1-NH1 3.25Å; E47-R50 PolarHBondContact OE1-NH1 3.12Å; E47-R50 IonicContact OE1-NH2 2.78Å; E47-R50 PolarHBondContact OE1-NH2 2.97Å; E47-R50 WeakPolarHBondContact OE2-CD 3.1Å; E47-R50 WeakPolarHBondContact OE2-CG 3.02Å; E47-R50 IonicContact OE2-CZ 2.63Å; E47-R50 VanDerWaalsContact OE2-CZ 3.25Å; E47-R50 IonicContact OE2-NE 2.91Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH1 2.71Å; E47-R50 PolarHBondContact OE2-NH1 3.43Å; P48-R50 VanDerWaalsContact C-N 3.29Å; P48-R50 PolarHBondContact O-N 2.78Å
51L66.5Low55.7Low21 Ų2191.2 Ų91.211%0.1148%0.478CS..  trans-37.2132.2164.7-84.8155000112.5A49 L55 R56 W73 I121A49-L51 PolarHBondContact O-N 2.62Å; L51-L55 HydrophobicContact CD2-CB 4.29Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-R56 PolarHBondContact O-NE 3Å; L51-R56 PolarHBondContact O-NH2 3.46Å; L51-W73 HydrophobicContact CD1-CH2 4.23Å; L51-W73 HydrophobicContact CD1-CZ3 4.24Å; L51-W73 HydrophobicContact CD2-CD2 3.8Å; L51-W73 HydrophobicContact CD2-CE3 3.35Å; L51-W73 HydrophobicContact CD2-CH2 3.94Å; L51-W73 HydrophobicContact CD2-CZ2 4.35Å; L51-W73 HydrophobicContact CD2-CZ3 3.42Å; L51-W73 VanDerWaalsContact CD2-CZ3 3.42Å; L51-W73 HydrophobicContact CG-CD2 4.35Å; L51-W73 HydrophobicContact CG-CE3 4.09Å; L51-W73 HydrophobicContact CG-CH2 3.74Å; L51-W73 HydrophobicContact CG-CZ2 4.04Å; L51-W73 HydrophobicContact CG-CZ3 3.76Å; L51-I121 HydrophobicContact CD1-CD1 3.65Å; L51-I121 HydrophobicContact CD1-CG1 3.68Å; L51-I121 HydrophobicContact CD2-CD1 4.36Å
52P64.9Low58.4Low48 Ų4886.6 Ų86.631%0.31244%0.439SS..  trans-48.3145174.9-30.934.9000113.6H54 L55 R56P52-H54 VanDerWaalsContact C-N 3.33Å; P52-H54 VanDerWaalsContact CB-CE1 3.42Å; P52-H54 WeakPolarHBondContact CB-CE1 3.28Å; P52-H54 PolarHBondContact O-N 3.26Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 HydrophobicContact CB-CG 4.31Å; P52-L55 HydrophobicContact CG-CD1 4.14Å; P52-L55 WeakPolarHBondContact O-CA 3.46Å; P52-L55 WeakPolarHBondContact O-CB 3.32Å; P52-L55 PolarHBondContact O-N 3.03Å; P52-R56 PolarHBondContact O-N 3.33Å
53A55.2Low61.2Low71 Ų7184 Ų8459%0.58742%0.42SS*.G310 helixtrans-57.1-39.3-165.800000114.4R56A53-R56 VanDerWaalsContact O-CB 3.24Å; A53-R56 WeakPolarHBondContact O-CB 3.28Å; A53-R56 WeakPolarHBondContact O-CG 3.29Å; A53-R56 PolarHBondContact O-N 2.78Å
54H60Low63.9Low77 Ų7780.5 Ų80.536%0.35641%0.407SS..G310 helixtrans-68-35.4175.354.7-62.8000113.1P52 R56 L57 D66 Q69P52-H54 VanDerWaalsContact C-N 3.33Å; P52-H54 VanDerWaalsContact CB-CE1 3.42Å; P52-H54 WeakPolarHBondContact CB-CE1 3.28Å; P52-H54 PolarHBondContact O-N 3.26Å; H54-R56 PolarHBondContact O-N 3.38Å; H54-R56 VanDerWaalsContact O-N 3.14Å; H54-L57 WeakPolarHBondContact O-CB 3.45Å; H54-L57 WeakPolarHBondContact O-CG 3.33Å; H54-L57 PolarHBondContact O-N 2.92Å; H54-D66 IonicContact CD2-OD1 3.52Å; H54-D66 PolarHBondContact CD2-OD1 2.79Å; H54-Q69 PolarHBondContact NE2-OE1 3.43Å
55L66.5Low66.8Low0 Ų077 Ų770%039%0.389CS..G310 helixtrans-72.3-0.9174.5-55.9-177.6000113.1L51 P52 D66 Q69 W70 R125L51-L55 HydrophobicContact CD2-CB 4.29Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 HydrophobicContact CB-CG 4.31Å; P52-L55 HydrophobicContact CG-CD1 4.14Å; P52-L55 WeakPolarHBondContact O-CA 3.46Å; P52-L55 WeakPolarHBondContact O-CB 3.32Å; P52-L55 PolarHBondContact O-N 3.03Å; L55-D66 HydrophobicContact CD2-CB 3.65Å; L55-D66 WeakPolarHBondContact CD2-O 3.33Å; L55-Q69 HydrophobicContact CD1-CB 4.22Å; L55-W70 HydrophobicContact CD1-CB 4.11Å; L55-R125 VanDerWaalsContact O-CZ 3.26Å; L55-R125 PolarHBondContact O-NH1 3.36Å; L55-R125 PolarHBondContact O-NH2 3.26Å
56R62.2Low69.4Low128 Ų12872.8 Ų72.848%0.48337%0.37SS..G310 helixtrans-77.3-20.4171.7-57.7-179.9-172166.42.7113.1L51 P52 A53 H54 R125L51-R56 PolarHBondContact O-NE 3Å; L51-R56 PolarHBondContact O-NH2 3.46Å; P52-R56 PolarHBondContact O-N 3.33Å; A53-R56 VanDerWaalsContact O-CB 3.24Å; A53-R56 WeakPolarHBondContact O-CB 3.28Å; A53-R56 WeakPolarHBondContact O-CG 3.29Å; A53-R56 PolarHBondContact O-N 2.78Å; H54-R56 PolarHBondContact O-N 3.38Å; H54-R56 VanDerWaalsContact O-N 3.14Å; R56-R125 VanDerWaalsContact C-NH1 3.33Å; R56-R125 VanDerWaalsContact O-CZ 3.29Å; R56-R125 PolarHBondContact O-NH1 3Å
57L61.2Low71.8Confident107 Ų10766.1 Ų66.156%0.5633%0.334SS*.SBendtrans-56143.7165.4-61.4175.6000110.1H54 W62 R125H54-L57 WeakPolarHBondContact O-CB 3.45Å; H54-L57 WeakPolarHBondContact O-CG 3.33Å; H54-L57 PolarHBondContact O-N 2.92Å; L57-W62 PolarHBondContact O-NE1 2.71Å; L57-R125 PolarHBondContact O-NH1 3.1Å
58Q74.1Confident74.1Confident76 Ų7663.4 Ų63.436%0.35533%0.327SS..  trans-53.1144.3-179.9-65.7-171.31.500111.2V60 F61Q58-V60 HydrophobicContact CB-CG1 4Å; Q58-V60 PolarHBondContact O-N 3.21Å; Q58-F61 HydrophobicContact CB-CD2 3.88Å; Q58-F61 HydrophobicContact CB-CE2 4.13Å; Q58-F61 HydrophobicContact CG-CE2 4.42Å; Q58-F61 PolarHBondContact O-N 2.59Å
59P85.8Confident76.4Confident2 Ų263.2 Ų63.21%0.01332%0.319CS..G310 helixtrans-54.5-26.1179.9-27.835.5000115F61 W62 G92 L96 L118 I121 L122P59-F61 PolarHBondContact O-N 3.4Å; P59-F61 VanDerWaalsContact O-N 3.15Å; P59-W62 HydrophobicContact CB-CD2 4.09Å; P59-W62 HydrophobicContact CB-CE3 4.11Å; P59-W62 HydrophobicContact CB-CH2 4.35Å; P59-W62 HydrophobicContact CB-CZ2 4.31Å; P59-W62 HydrophobicContact CB-CZ3 4.24Å; P59-W62 HydrophobicContact CG-CH2 4.06Å; P59-W62 HydrophobicContact CG-CZ2 3.91Å; P59-W62 HydrophobicContact CG-CZ3 4.44Å; P59-W62 WeakPolarHBondContact O-CB 3.47Å; P59-W62 PolarHBondContact O-N 3.37Å; P59-W62 VanDerWaalsContact O-N 3.14Å; P59-G92 CarbonylContact O-C 3.5Å; P59-G92 WeakPolarHBondContact O-CA 3.46Å; P59-L96 HydrophobicContact CB-CD1 4.29Å; P59-L96 HydrophobicContact CB-CD2 4.22Å; P59-L96 HydrophobicContact CB-CG 4.35Å; P59-L118 HydrophobicContact CB-CD1 3.89Å; P59-L118 HydrophobicContact CG-CD1 3.81Å; P59-I121 HydrophobicContact CG-CG2 3.86Å; P59-L122 HydrophobicContact CG-CD2 3.95Å; P59-L122 HydrophobicContact CG-CG 4.44Å
60V85Confident78.2Confident44 Ų4460.6 Ų60.627%0.26730%0.297SS..G310 helixtrans-62.5-18.5175.875.80000113.9Q58 K93 L96Q58-V60 HydrophobicContact CB-CG1 4Å; Q58-V60 PolarHBondContact O-N 3.21Å; V60-K93 HydrophobicContact CG2-CD 4.46Å; V60-K93 HydrophobicContact CG2-CG 3.98Å; V60-K93 WeakPolarHBondContact O-CE 3.42Å; V60-K93 WeakPolarHBondContact O-CG 3.3Å; V60-L96 HydrophobicContact CB-CD1 3.8Å; V60-L96 HydrophobicContact CG2-CD1 4.25Å
61F85.6Confident79.8Confident137 Ų13753.7 Ų53.760%0.60127%0.272SS*.G310 helixtrans-100.4-7.4177.4-59.2-66.2000114Q58 P59 S63Q58-F61 HydrophobicContact CB-CD2 3.88Å; Q58-F61 HydrophobicContact CB-CE2 4.13Å; Q58-F61 HydrophobicContact CG-CE2 4.42Å; Q58-F61 PolarHBondContact O-N 2.59Å; P59-F61 PolarHBondContact O-N 3.4Å; P59-F61 VanDerWaalsContact O-N 3.15Å; F61-S63 PolarHBondContact O-N 3.4Å
62W91.1Very high80.9Confident5 Ų559.5 Ų59.52%0.01929%0.293CS..  trans-63.4127.5-177.5-68.6-2.9000111.5L57 P59 D66 V67 W70 G92 L95 L118 I121L57-W62 PolarHBondContact O-NE1 2.71Å; P59-W62 HydrophobicContact CB-CD2 4.09Å; P59-W62 HydrophobicContact CB-CE3 4.11Å; P59-W62 HydrophobicContact CB-CH2 4.35Å; P59-W62 HydrophobicContact CB-CZ2 4.31Å; P59-W62 HydrophobicContact CB-CZ3 4.24Å; P59-W62 HydrophobicContact CG-CH2 4.06Å; P59-W62 HydrophobicContact CG-CZ2 3.91Å; P59-W62 HydrophobicContact CG-CZ3 4.44Å; P59-W62 WeakPolarHBondContact O-CB 3.47Å; P59-W62 PolarHBondContact O-N 3.37Å; P59-W62 VanDerWaalsContact O-N 3.14Å; W62-D66 HydrophobicContact CB-CB 3.73Å; W62-D66 HydrophobicContact CG-CB 4.02Å; W62-V67 HydrophobicContact CB-CG2 4.15Å; W62-V67 HydrophobicContact CE3-CG2 4.21Å; W62-W70 HydrophobicContact CE3-CB 4.4Å; W62-W70 HydrophobicContact CH2-CB 4.1Å; W62-W70 AromaticContact CH2-CD1 3.67Å; W62-W70 HydrophobicContact CH2-CD2 4.05Å; W62-W70 AromaticContact CH2-CG 3.65Å; W62-W70 HydrophobicContact CH2-CG 3.65Å; W62-W70 HydrophobicContact CZ3-CB 3.85Å; W62-W70 AromaticContact CZ3-CD2 3.64Å; W62-W70 HydrophobicContact CZ3-CD2 3.64Å; W62-W70 HydrophobicContact CZ3-CE3 4.01Å; W62-W70 AromaticContact CZ3-CG 3.54Å; W62-W70 HydrophobicContact CZ3-CG 3.54Å; W62-G92 PolarHBondContact O-N 2.86Å; W62-L95 HydrophobicContact CE3-CD2 4.25Å; W62-L95 HydrophobicContact CZ3-CD2 4.2Å; W62-L118 HydrophobicContact CZ3-CD1 4.42Å; W62-I121 HydrophobicContact CH2-CD1 4.08Å; W62-I121 HydrophobicContact CZ2-CG2 4.47Å
63S90.7Very high82Confident43 Ų4358.8 Ų58.830%0.30128%0.284SS..  trans-65.6172.1165.369.30000111F61 E65 D66 V67F61-S63 PolarHBondContact O-N 3.4Å; S63-E65 PolarHBondContact O-N 3.1Å; S63-E65 PolarHBondContact OG-N 3.12Å; S63-D66 VanDerWaalsContact CB-OD2 3.26Å; S63-D66 WeakPolarHBondContact CB-OD2 3.24Å; S63-D66 PolarHBondContact N-OD2 3.2Å; S63-D66 PolarHBondContact O-N 3.44Å; S63-D66 PolarHBondContact OG-N 2.75Å; S63-D66 PolarHBondContact OG-OD2 3.22Å; S63-V67 WeakPolarHBondContact O-CG2 3.28Å; S63-V67 PolarHBondContact O-N 3.11Å
64R92.4Very high83.7Confident125 Ų12555.4 Ų55.447%0.47226%0.256SS..Hα-helixtrans-61.7-34.4171.6173.3-17261.2-126.8-17.1111.2A68 Q89 M90R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.94Å; R64-Q89 HydrophobicContact CG-CG 4.42Å; R64-M90 WeakPolarHBondContact CA-O 3.46Å
65E90.6Very high85.1Confident90 Ų9054.3 Ų54.342%0.42125%0.251SS..Hα-helixtrans-71.4-33178-70.257.8-133.600111.8S63 Q69S63-E65 PolarHBondContact O-N 3.1Å; S63-E65 PolarHBondContact OG-N 3.12Å; E65-Q69 VanDerWaalsContact O-CG 3.3Å; E65-Q69 WeakPolarHBondContact O-CG 3.45Å; E65-Q69 PolarHBondContact O-N 2.98Å; E65-Q69 VanDerWaalsContact O-N 3.1Å; E65-Q69 PolarHBondContact O-NE2 3.06Å; E65-Q69 VanDerWaalsContact O-NE2 3.1Å
66D90.5Very high86Confident31 Ų3163 Ų6317%0.16629%0.289CS..Hα-helixtrans-70.2-45172.2-65-52.9000111.6H54 L55 W62 S63 A68 Q69 W70H54-D66 IonicContact CD2-OD1 3.52Å; H54-D66 PolarHBondContact CD2-OD1 2.79Å; L55-D66 HydrophobicContact CD2-CB 3.65Å; L55-D66 WeakPolarHBondContact CD2-O 3.33Å; W62-D66 HydrophobicContact CB-CB 3.73Å; W62-D66 HydrophobicContact CG-CB 4.02Å; S63-D66 VanDerWaalsContact CB-OD2 3.26Å; S63-D66 WeakPolarHBondContact CB-OD2 3.24Å; S63-D66 PolarHBondContact N-OD2 3.2Å; S63-D66 PolarHBondContact O-N 3.44Å; S63-D66 PolarHBondContact OG-N 2.75Å; S63-D66 PolarHBondContact OG-OD2 3.22Å; D66-A68 VanDerWaalsContact C-N 3.29Å; D66-A68 PolarHBondContact O-N 3.38Å; D66-Q69 CarbonylContact O-C 3.55Å; D66-Q69 PolarHBondContact O-N 2.86Å; D66-W70 PolarHBondContact O-N 3.08Å
67V91.8Very high87.2Confident0 Ų060.5 Ų60.50%028%0.282CS..Hα-helixtrans-56.9-44.8173.2173.20000110.4W62 S63 Q69 W70 L71 F88 L95W62-V67 HydrophobicContact CB-CG2 4.15Å; W62-V67 HydrophobicContact CE3-CG2 4.21Å; S63-V67 WeakPolarHBondContact O-CG2 3.28Å; S63-V67 PolarHBondContact O-N 3.11Å; V67-Q69 PolarHBondContact O-N 2.83Å; V67-W70 PolarHBondContact O-N 2.84Å; V67-L71 HydrophobicContact CG1-CD1 3.97Å; V67-L71 WeakPolarHBondContact O-CD1 3.32Å; V67-L71 VanDerWaalsContact O-CG 3.27Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.38Å; V67-F88 HydrophobicContact CG1-CB 4.26Å; V67-L95 HydrophobicContact CG1-CD1 4.26Å; V67-L95 HydrophobicContact CG1-CD2 4.2Å; V67-L95 HydrophobicContact CG2-CD2 4.1Å
68A90.9Very high88.3Confident31 Ų3159.9 Ų59.926%0.25628%0.275SS..Hα-helixtrans-67.2-20.1176.300000114.1R64 D66 R72R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.94Å; D66-A68 VanDerWaalsContact C-N 3.29Å; D66-A68 PolarHBondContact O-N 3.38Å; A68-R72 WeakPolarHBondContact O-CG 3.3Å; A68-R72 PolarHBondContact O-NH1 3.28Å
69Q88.5Confident88.8Confident78 Ų7860.6 Ų60.636%0.36429%0.294SS..Hα-helixtrans-87.4-39.1173.1-76.3172.972.500112H54 L55 E65 D66 V67 L71 R72 W73H54-Q69 PolarHBondContact NE2-OE1 3.43Å; L55-Q69 HydrophobicContact CD1-CB 4.22Å; E65-Q69 VanDerWaalsContact O-CG 3.3Å; E65-Q69 WeakPolarHBondContact O-CG 3.45Å; E65-Q69 PolarHBondContact O-N 2.98Å; E65-Q69 VanDerWaalsContact O-N 3.1Å; E65-Q69 PolarHBondContact O-NE2 3.06Å; E65-Q69 VanDerWaalsContact O-NE2 3.1Å; D66-Q69 CarbonylContact O-C 3.55Å; D66-Q69 PolarHBondContact O-N 2.86Å; V67-Q69 PolarHBondContact O-N 2.83Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.78Å; Q69-R72 PolarHBondContact O-N 2.92Å; Q69-W73 PolarHBondContact O-N 3.14Å
70W91.1Very high88.9Confident0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-56.9-43.7171.5169.265.6000111.5L55 W62 D66 V67 W73 A74 L95 F103 L114 L117 L118L55-W70 HydrophobicContact CD1-CB 4.11Å; W62-W70 HydrophobicContact CE3-CB 4.4Å; W62-W70 HydrophobicContact CH2-CB 4.1Å; W62-W70 AromaticContact CH2-CD1 3.67Å; W62-W70 HydrophobicContact CH2-CD2 4.05Å; W62-W70 AromaticContact CH2-CG 3.65Å; W62-W70 HydrophobicContact CH2-CG 3.65Å; W62-W70 HydrophobicContact CZ3-CB 3.85Å; W62-W70 AromaticContact CZ3-CD2 3.64Å; W62-W70 HydrophobicContact CZ3-CD2 3.64Å; W62-W70 HydrophobicContact CZ3-CE3 4.01Å; W62-W70 AromaticContact CZ3-CG 3.54Å; W62-W70 HydrophobicContact CZ3-CG 3.54Å; D66-W70 PolarHBondContact O-N 3.08Å; V67-W70 PolarHBondContact O-N 2.84Å; W70-W73 AromaticContact CD1-CE3 3.94Å; W70-W73 PolarHBondContact O-N 3.16Å; W70-A74 WeakPolarHBondContact O-CB 3.42Å; W70-A74 PolarHBondContact O-N 2.86Å; W70-L95 HydrophobicContact CE3-CD2 4Å; W70-L95 HydrophobicContact CH2-CD2 4.47Å; W70-L95 HydrophobicContact CZ3-CD1 4.31Å; W70-L95 HydrophobicContact CZ3-CD2 3.73Å; W70-F103 HydrophobicContact CH2-CE1 4.03Å; W70-F103 HydrophobicContact CH2-CZ 4.46Å; W70-F103 HydrophobicContact CZ3-CE1 4.29Å; W70-L114 HydrophobicContact CH2-CB 4.15Å; W70-L114 HydrophobicContact CH2-CD2 4.19Å; W70-L114 WeakPolarHBondContact CH2-O 3.14Å; W70-L114 HydrophobicContact CZ2-CD2 4.39Å; W70-L114 WeakPolarHBondContact CZ2-O 3.05Å; W70-L117 HydrophobicContact CZ2-CB 4.38Å; W70-L117 HydrophobicContact CZ2-CD2 4.16Å; W70-L117 HydrophobicContact CZ2-CG 4.17Å; W70-L118 HydrophobicContact CH2-CB 4.16Å; W70-L118 HydrophobicContact CZ2-CB 4.07Å
71L91.4Very high88.9Confident13 Ų1367.1 Ų67.17%0.06832%0.315CS..Hα-helixtrans-63.8-42.7177.8-68.1163.3000112.5V67 Q69 W73 A74 E75 I83 F88 L114V67-L71 HydrophobicContact CG1-CD1 3.97Å; V67-L71 WeakPolarHBondContact O-CD1 3.32Å; V67-L71 VanDerWaalsContact O-CG 3.27Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.38Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 2.78Å; L71-W73 VanDerWaalsContact C-N 3.34Å; L71-W73 PolarHBondContact O-N 2.82Å; L71-A74 PolarHBondContact O-N 3.01Å; L71-E75 VanDerWaalsContact O-CB 3.29Å; L71-E75 WeakPolarHBondContact O-CB 3.28Å; L71-E75 PolarHBondContact O-N 3.42Å; L71-I83 HydrophobicContact CB-CD1 4.28Å; L71-I83 HydrophobicContact CD2-CD1 4.09Å; L71-I83 HydrophobicContact CD2-CG2 4.45Å; L71-F88 HydrophobicContact CD1-CB 3.61Å; L71-F88 HydrophobicContact CD1-CD2 3.93Å; L71-F88 HydrophobicContact CD1-CG 4.04Å; L71-F88 HydrophobicContact CD2-CD2 4.08Å; L71-F88 HydrophobicContact CD2-CE2 4.43Å; L71-L114 HydrophobicContact CD2-CD1 3.9Å; L71-L114 HydrophobicContact CD2-CD2 3.87Å; L71-L114 HydrophobicContact CD2-CG 4.48Å
72R88.9Confident88.7Confident144 Ų14465.4 Ų65.454%0.54332%0.318SS..Hα-helixtrans-66.5-34.2175.3-71.7-179.5-173.2102.3-13.4112.8A68 Q69 K76A68-R72 WeakPolarHBondContact O-CG 3.3Å; A68-R72 PolarHBondContact O-NH1 3.28Å; Q69-R72 PolarHBondContact O-N 2.92Å; R72-K76 PolarHBondContact O-N 3.4Å
73W89.5Confident88.4Confident33 Ų3366 Ų6613%0.12532%0.322CS..Hα-helixtrans-66.5-49.6172170.370.2000110.8L51 Q69 W70 L71 E75 K76 E77 F78 L117L51-W73 HydrophobicContact CD1-CH2 4.23Å; L51-W73 HydrophobicContact CD1-CZ3 4.24Å; L51-W73 HydrophobicContact CD2-CD2 3.8Å; L51-W73 HydrophobicContact CD2-CE3 3.35Å; L51-W73 HydrophobicContact CD2-CH2 3.94Å; L51-W73 HydrophobicContact CD2-CZ2 4.35Å; L51-W73 HydrophobicContact CD2-CZ3 3.42Å; L51-W73 VanDerWaalsContact CD2-CZ3 3.42Å; L51-W73 HydrophobicContact CG-CD2 4.35Å; L51-W73 HydrophobicContact CG-CE3 4.09Å; L51-W73 HydrophobicContact CG-CH2 3.74Å; L51-W73 HydrophobicContact CG-CZ2 4.04Å; L51-W73 HydrophobicContact CG-CZ3 3.76Å; Q69-W73 PolarHBondContact O-N 3.14Å; W70-W73 AromaticContact CD1-CE3 3.94Å; W70-W73 PolarHBondContact O-N 3.16Å; L71-W73 VanDerWaalsContact C-N 3.34Å; L71-W73 PolarHBondContact O-N 2.82Å; W73-E75 VanDerWaalsContact C-N 3.3Å; W73-E75 PolarHBondContact O-N 2.83Å; W73-K76 PolarHBondContact O-N 2.72Å; W73-K76 VanDerWaalsContact O-N 3.11Å; W73-E77 HydrophobicContact CD2-CB 4.5Å; W73-E77 HydrophobicContact CZ2-CB 4.11Å; W73-E77 HydrophobicContact CZ2-CG 3.71Å; W73-E77 PolarHBondContact NE1-OE2 2.95Å; W73-E77 WeakPolarHBondContact O-CB 3.42Å; W73-E77 PolarHBondContact O-N 2.87Å; W73-F78 HydrophobicContact CH2-CE2 4.15Å; W73-F78 HydrophobicContact CZ3-CE2 4.44Å; W73-L117 HydrophobicContact CH2-CD1 4.08Å; W73-L117 HydrophobicContact CZ3-CD1 3.94Å; W73-L117 HydrophobicContact CZ3-CD2 3.85Å; W73-L117 HydrophobicContact CZ3-CG 4.25Å
74A89.5Confident87.8Confident0 Ų068.8 Ų68.80%034%0.337CS..Hα-helixtrans-59.7-39.5178.100000112.5W70 L71 K76 F78 L80 L114 L117W70-A74 WeakPolarHBondContact O-CB 3.42Å; W70-A74 PolarHBondContact O-N 2.86Å; L71-A74 PolarHBondContact O-N 3.01Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.49Å; A74-F78 WeakPolarHBondContact O-CB 3.42Å; A74-F78 PolarHBondContact O-N 2.84Å; A74-L80 HydrophobicContact CB-CD1 4.3Å; A74-L114 HydrophobicContact CB-CD2 3.74Å; A74-L117 HydrophobicContact CB-CD2 3.47Å; A74-L117 VanDerWaalsContact CB-CD2 3.47Å
75E89.4Confident86.7Confident54 Ų5467.2 Ų67.225%0.25235%0.345SS..Hα-helixtrans-57.1-45.9173.6-176.5179.7132.800112L71 W73 A79 L80 P82 I83L71-E75 VanDerWaalsContact O-CB 3.29Å; L71-E75 WeakPolarHBondContact O-CB 3.28Å; L71-E75 PolarHBondContact O-N 3.42Å; W73-E75 VanDerWaalsContact C-N 3.3Å; W73-E75 PolarHBondContact O-N 2.83Å; E75-A79 CarbonylContact O-C 3.59Å; E75-A79 WeakPolarHBondContact O-CA 3.29Å; E75-A79 PolarHBondContact O-N 2.81Å; E75-L80 PolarHBondContact O-N 2.69Å; E75-P82 WeakPolarHBondContact OE2-CA 3.3Å; E75-I83 HydrophobicContact CB-CD1 4.36Å; E75-I83 PolarHBondContact OE2-N 2.71Å
76K87Confident86.1Confident183 Ų18365.4 Ų65.480%0.79635%0.351SS*.Hα-helixtrans-72.6-45178.2-171.4-170.6175.5-1640112.9R72 W73 A74R72-K76 PolarHBondContact O-N 3.4Å; W73-K76 PolarHBondContact O-N 2.72Å; W73-K76 VanDerWaalsContact O-N 3.11Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.49Å
77E85.6Confident85.9Confident74 Ų7465.4 Ų65.435%0.34635%0.352SS..Hα-helixtrans-72.7-40.3-171.9-161.379.5-146.900112.1A49 W73A49-E77 WeakPolarHBondContact CA-OE1 3.3Å; A49-E77 HydrophobicContact CB-CG 4.47Å; A49-E77 PolarHBondContact N-OE1 2.71Å; W73-E77 HydrophobicContact CD2-CB 4.5Å; W73-E77 HydrophobicContact CZ2-CB 4.11Å; W73-E77 HydrophobicContact CZ2-CG 3.71Å; W73-E77 PolarHBondContact NE1-OE2 2.95Å; W73-E77 WeakPolarHBondContact O-CB 3.42Å; W73-E77 PolarHBondContact O-N 2.87Å
78F85.5Confident85.8Confident95 Ų9565.7 Ų65.742%0.41735%0.353SS..THydrogen-bonded Turntrans-10212.7-179.5-61.8-89.2000113W73 A74 L80 V113 L117W73-F78 HydrophobicContact CH2-CE2 4.15Å; W73-F78 HydrophobicContact CZ3-CE2 4.44Å; A74-F78 WeakPolarHBondContact O-CB 3.42Å; A74-F78 PolarHBondContact O-N 2.84Å; F78-L80 VanDerWaalsContact C-N 3.25Å; F78-L80 HydrophobicContact CB-CD1 4.36Å; F78-L80 HydrophobicContact CB-CD2 3.76Å; F78-L80 HydrophobicContact CB-CG 3.87Å; F78-L80 PolarHBondContact O-N 2.83Å; F78-V113 HydrophobicContact CB-CG1 4.46Å; F78-V113 HydrophobicContact CD1-CG1 4.42Å; F78-V113 HydrophobicContact CG-CG1 4.4Å; F78-L117 HydrophobicContact CD2-CD2 3.98Å; F78-L117 HydrophobicContact CE2-CD1 3.63Å; F78-L117 HydrophobicContact CE2-CD2 3.62Å; F78-L117 HydrophobicContact CE2-CG 4.22Å; F78-L117 HydrophobicContact CZ-CD1 3.74Å; F78-L117 HydrophobicContact CZ-CD2 4.44Å
79A85.2Confident85.9Confident91 Ų9171 Ų7175%0.75237%0.372SS*.THydrogen-bonded Turntrans48.542.3-179.500000113.9E75E75-A79 CarbonylContact O-C 3.59Å; E75-A79 WeakPolarHBondContact O-CA 3.29Å; E75-A79 PolarHBondContact O-N 2.81Å
80L86.9Confident86.1Confident27 Ų2768.5 Ų68.514%0.14136%0.361CS..PPolyproline II helixtrans-74.6163-174.6-50.3174.2000111.5A74 E75 F78 I83 V113 L114A74-L80 HydrophobicContact CB-CD1 4.3Å; E75-L80 PolarHBondContact O-N 2.69Å; F78-L80 VanDerWaalsContact C-N 3.25Å; F78-L80 HydrophobicContact CB-CD1 4.36Å; F78-L80 HydrophobicContact CB-CD2 3.76Å; F78-L80 HydrophobicContact CB-CG 3.87Å; F78-L80 PolarHBondContact O-N 2.83Å; L80-I83 HydrophobicContact CD1-CD1 4.34Å; L80-V113 HydrophobicContact CD2-CB 4.37Å; L80-V113 HydrophobicContact CD2-CG1 4.13Å; L80-L114 HydrophobicContact CD1-CD2 3.99Å; L80-L114 HydrophobicContact CD1-CG 4.35Å
81R85.3Confident86.2Confident155 Ų15572.1 Ų72.159%0.58538%0.381SS*.PPolyproline II helixtrans-67.2139.4169.8-68.4-125.3-74.6-174.8-6.7109.8I83 H109R81-I83 PolarHBondContact O-N 2.91Å; R81-H109 PolarHBondContact NH2-CD2 2.82Å; R81-H109 PolarHBondContact NH2-CE1 3.46Å; R81-H109 PolarHBondContact NH2-NE2 3.2Å
82P81.4Confident86.2Confident102 Ų10271.5 Ų71.566%0.66238%0.377SS*.PPolyproline II helixtrans-50.5124.3-174.9-32.636.8000114.9E75 T84E75-P82 WeakPolarHBondContact OE2-CA 3.3Å; P82-T84 PolarHBondContact O-N 2.84Å
83I83.9Confident86.2Confident18 Ų1870.1 Ų70.19%0.09238%0.375CS..  trans-88.8108.2-172.4-58.3166.8000108.5L71 E75 L80 R81 S85 F88 L114L71-I83 HydrophobicContact CB-CD1 4.28Å; L71-I83 HydrophobicContact CD2-CD1 4.09Å; L71-I83 HydrophobicContact CD2-CG2 4.45Å; E75-I83 HydrophobicContact CB-CD1 4.36Å; E75-I83 PolarHBondContact OE2-N 2.71Å; L80-I83 HydrophobicContact CD1-CD1 4.34Å; R81-I83 PolarHBondContact O-N 2.91Å; I83-S85 PolarHBondContact O-N 3.22Å; I83-F88 HydrophobicContact CG2-CD2 4.36Å; I83-L114 HydrophobicContact CD1-CD1 3.86Å; I83-L114 HydrophobicContact CD1-CD2 4.09Å; I83-L114 HydrophobicContact CD1-CG 4.49Å
84T79.6Confident86.3Confident101 Ų10170.1 Ų70.162%0.6238%0.382SS*.  trans-62.5127.8-177.155.40000110.8P82 G86 T87P82-T84 PolarHBondContact O-N 2.84Å; T84-G86 PolarHBondContact O-N 3.34Å; T84-T87 PolarHBondContact O-N 2.99Å; T84-T87 PolarHBondContact O-OG1 3.25Å; T84-T87 WeakPolarHBondContact OG1-CG2 3.31Å
85S67.7Low86.5Confident92 Ų9270.1 Ų70.164%0.64338%0.382SS*.THydrogen-bonded Turntrans-68-0.7-160.5-44.40000116.2I83I83-S85 PolarHBondContact O-N 3.22Å
86G78.7Confident86.7Confident52 Ų5270.5 Ų70.554%0.53639%0.386SS..THydrogen-bonded Turntrans-93.3-20.7172.700000115T84 F88 Q89T84-G86 PolarHBondContact O-N 3.34Å; G86-F88 VanDerWaalsContact C-N 3.3Å; G86-F88 PolarHBondContact O-N 3.47Å; G86-Q89 PolarHBondContact O-N 3.11Å
87T85.4Confident87Confident30 Ų3068.8 Ų68.818%0.18438%0.384CS..THydrogen-bonded Turntrans-58.2-38.5-171.746.50000113.8T84 R106T84-T87 PolarHBondContact O-N 2.99Å; T84-T87 PolarHBondContact O-OG1 3.25Å; T84-T87 WeakPolarHBondContact OG1-CG2 3.31Å; T87-R106 VanDerWaalsContact CG2-O 3.24Å; T87-R106 WeakPolarHBondContact CG2-O 3.39Å; T87-R106 PolarHBondContact O-NH1 3.43Å
88F91Very high87.2Confident6 Ų666.3 Ų66.33%0.02637%0.373CS..THydrogen-bonded Turntrans-123.544.3178.6-62.2-85.8000111.2V67 L71 I83 G86 M90 L95 L98 F103 R106 L114V67-F88 HydrophobicContact CG1-CB 4.26Å; L71-F88 HydrophobicContact CD1-CB 3.61Å; L71-F88 HydrophobicContact CD1-CD2 3.93Å; L71-F88 HydrophobicContact CD1-CG 4.04Å; L71-F88 HydrophobicContact CD2-CD2 4.08Å; L71-F88 HydrophobicContact CD2-CE2 4.43Å; I83-F88 HydrophobicContact CG2-CD2 4.36Å; G86-F88 VanDerWaalsContact C-N 3.3Å; G86-F88 PolarHBondContact O-N 3.47Å; F88-M90 PolarHBondContact O-N 2.8Å; F88-L95 HydrophobicContact CD1-CD1 3.72Å; F88-L95 HydrophobicContact CE1-CD1 4.31Å; F88-L95 HydrophobicContact CG-CD1 4.49Å; F88-L98 HydrophobicContact CD1-CD1 3.93Å; F88-L98 HydrophobicContact CE1-CD1 3.82Å; F88-F103 HydrophobicContact CD1-CE1 4.37Å; F88-F103 AromaticContact CE1-CD1 3.5Å; F88-F103 HydrophobicContact CE1-CD1 3.5Å; F88-F103 AromaticContact CE1-CE1 3.61Å; F88-F103 HydrophobicContact CE1-CE1 3.61Å; F88-F103 HydrophobicContact CE1-CG 4.09Å; F88-F103 HydrophobicContact CE1-CZ 4.29Å; F88-F103 AromaticContact CZ-CD1 3.58Å; F88-F103 HydrophobicContact CZ-CD1 3.58Å; F88-F103 AromaticContact CZ-CE1 3.99Å; F88-F103 HydrophobicContact CZ-CE1 3.99Å; F88-F103 HydrophobicContact CZ-CG 4.31Å; F88-R106 HydrophobicContact CE1-CB 3.91Å; F88-R106 HydrophobicContact CE1-CG 4.42Å; F88-R106 HydrophobicContact CE2-CB 3.99Å; F88-R106 HydrophobicContact CZ-CB 3.57Å; F88-L114 HydrophobicContact CE2-CD1 4.12Å; F88-L114 HydrophobicContact CZ-CD1 4.4Å
89Q92.8Very high87.6Confident143 Ų14365.2 Ų65.267%0.66838%0.375SS*.  trans-72.866.8176.4-167.4-179.374.800111.6R64 G86R64-Q89 HydrophobicContact CG-CG 4.42Å; G86-Q89 PolarHBondContact O-N 3.11Å
90M92.3Very high87.9Confident26 Ų2664 Ų6413%0.12835%0.352CS..SBendtrans-150.3162.7-173.167.2-178.868.800111.2R64 F88 A94 L95 L98R64-M90 WeakPolarHBondContact CA-O 3.46Å; F88-M90 PolarHBondContact O-N 2.8Å; M90-A94 HydrophobicContact CB-CB 3.92Å; M90-A94 HydrophobicContact CG-CB 4.2Å; M90-A94 HydrophobicContact SD-CB 3.93Å; M90-L95 HydrophobicContact SD-CB 4.32Å; M90-L95 HydrophobicContact SD-CD1 4.34Å; M90-L98 HydrophobicContact CE-CD1 3.96Å; M90-L98 HydrophobicContact CE-CD2 4.36Å; M90-L98 HydrophobicContact SD-CD1 3.85Å; M90-L98 HydrophobicContact SD-CD2 4.43Å; M90-L98 HydrophobicContact SD-CG 4.19Å
91N92.8Very high88.1Confident76 Ų7669.9 Ų69.941%0.40638%0.379SS..  trans-80.4168.6172.267.420.6000111.5K93 A94 L95N91-K93 VanDerWaalsContact C-N 3.28Å; N91-K93 PolarHBondContact O-N 3.33Å; N91-K93 PolarHBondContact OD1-N 2.81Å; N91-A94 PolarHBondContact O-N 2.95Å; N91-A94 VanDerWaalsContact O-N 3.16Å; N91-A94 PolarHBondContact OD1-N 3.1Å; N91-L95 PolarHBondContact O-N 3.4Å
92G91.3Very high88.6Confident0 Ų065.3 Ų65.30%037%0.366CS..Hα-helixtrans-64.3-26.8-178.200000114.8P59 W62 L95 L96P59-G92 CarbonylContact O-C 3.5Å; P59-G92 WeakPolarHBondContact O-CA 3.46Å; W62-G92 PolarHBondContact O-N 2.86Å; G92-L95 WeakPolarHBondContact O-CB 3.32Å; G92-L95 PolarHBondContact O-N 3.42Å; G92-L96 VanDerWaalsContact O-CG 3.28Å; G92-L96 WeakPolarHBondContact O-CG 3.48Å; G92-L96 PolarHBondContact O-N 3.28Å
93K88.6Confident89.2Confident114 Ų11460.5 Ų60.550%0.49634%0.335SS..Hα-helixtrans-63.3-43.4172.3-61.9-167.5177.4-174.40111.7V60 N91V60-K93 HydrophobicContact CG2-CD 4.46Å; V60-K93 HydrophobicContact CG2-CG 3.98Å; V60-K93 WeakPolarHBondContact O-CE 3.42Å; V60-K93 WeakPolarHBondContact O-CG 3.3Å; N91-K93 VanDerWaalsContact C-N 3.28Å; N91-K93 PolarHBondContact O-N 3.33Å; N91-K93 PolarHBondContact OD1-N 2.81Å
94A92.5Very high89.7Confident34 Ų3465.1 Ų65.128%0.28135%0.351SS..Hα-helixtrans-70.6-36.8173.900000112.1M90 N91 L96 L97M90-A94 HydrophobicContact CB-CB 3.92Å; M90-A94 HydrophobicContact CG-CB 4.2Å; M90-A94 HydrophobicContact SD-CB 3.93Å; N91-A94 PolarHBondContact O-N 2.95Å; N91-A94 VanDerWaalsContact O-N 3.16Å; N91-A94 PolarHBondContact OD1-N 3.1Å; A94-L96 VanDerWaalsContact C-N 3.28Å; A94-L96 PolarHBondContact O-N 3.14Å; A94-L97 PolarHBondContact O-N 2.73Å; A94-L97 VanDerWaalsContact O-N 3.11Å
95L93.7Very high90.3Very high0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-59.2-38.2175.7-169.774.1000112.2W62 V67 W70 F88 M90 N91 G92 L97 L98 F103 L118W62-L95 HydrophobicContact CE3-CD2 4.25Å; W62-L95 HydrophobicContact CZ3-CD2 4.2Å; V67-L95 HydrophobicContact CG1-CD1 4.26Å; V67-L95 HydrophobicContact CG1-CD2 4.2Å; V67-L95 HydrophobicContact CG2-CD2 4.1Å; W70-L95 HydrophobicContact CE3-CD2 4Å; W70-L95 HydrophobicContact CH2-CD2 4.47Å; W70-L95 HydrophobicContact CZ3-CD1 4.31Å; W70-L95 HydrophobicContact CZ3-CD2 3.73Å; F88-L95 HydrophobicContact CD1-CD1 3.72Å; F88-L95 HydrophobicContact CE1-CD1 4.31Å; F88-L95 HydrophobicContact CG-CD1 4.49Å; M90-L95 HydrophobicContact SD-CB 4.32Å; M90-L95 HydrophobicContact SD-CD1 4.34Å; N91-L95 PolarHBondContact O-N 3.4Å; G92-L95 WeakPolarHBondContact O-CB 3.32Å; G92-L95 PolarHBondContact O-N 3.42Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.05Å; L95-L98 HydrophobicContact CD1-CD1 4.29Å; L95-L98 WeakPolarHBondContact O-CB 3.27Å; L95-L98 PolarHBondContact O-N 2.81Å; L95-F103 HydrophobicContact CD1-CE1 4.03Å; L95-F103 HydrophobicContact CD1-CE2 4.43Å; L95-F103 HydrophobicContact CD1-CZ 3.57Å; L95-F103 HydrophobicContact CG-CZ 3.9Å; L95-L118 HydrophobicContact CD2-CD1 4.5Å; L95-L118 HydrophobicContact CD2-CD2 4.08Å; L95-L118 HydrophobicContact CG-CD2 4.02Å
96L93.4Very high91.5Very high61 Ų6169.6 Ų69.632%0.31934%0.344SS..THydrogen-bonded Turntrans-72.3-15.5177.3-73.1171.6000114.6P59 V60 G92 A94 L118 L122P59-L96 HydrophobicContact CB-CD1 4.29Å; P59-L96 HydrophobicContact CB-CD2 4.22Å; P59-L96 HydrophobicContact CB-CG 4.35Å; V60-L96 HydrophobicContact CB-CD1 3.8Å; V60-L96 HydrophobicContact CG2-CD1 4.25Å; G92-L96 VanDerWaalsContact O-CG 3.28Å; G92-L96 WeakPolarHBondContact O-CG 3.48Å; G92-L96 PolarHBondContact O-N 3.28Å; A94-L96 VanDerWaalsContact C-N 3.28Å; A94-L96 PolarHBondContact O-N 3.14Å; L96-L118 HydrophobicContact CD2-CD1 4.36Å; L96-L118 HydrophobicContact CD2-CD2 4.32Å; L96-L122 HydrophobicContact CD2-CD1 3.62Å; L96-L122 HydrophobicContact CD2-CD2 4.05Å; L96-L122 HydrophobicContact CD2-CG 4.36Å
97L92.6Very high92.1Very high147 Ų14767.8 Ų67.877%0.7732%0.323SS*.THydrogen-bonded Turntrans-88.2-8.7174.9-65.9173.2000112.8A94 L95A94-L97 PolarHBondContact O-N 2.73Å; A94-L97 VanDerWaalsContact O-N 3.11Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.05Å
98L91.3Very high92.4Very high22 Ų2271.2 Ų71.212%0.11535%0.346CS..  trans-77.1130.8178.6-60.8-169.9000111.2F88 M90 L95 D102 F103F88-L98 HydrophobicContact CD1-CD1 3.93Å; F88-L98 HydrophobicContact CE1-CD1 3.82Å; M90-L98 HydrophobicContact CE-CD1 3.96Å; M90-L98 HydrophobicContact CE-CD2 4.36Å; M90-L98 HydrophobicContact SD-CD1 3.85Å; M90-L98 HydrophobicContact SD-CD2 4.43Å; M90-L98 HydrophobicContact SD-CG 4.19Å; L95-L98 HydrophobicContact CD1-CD1 4.29Å; L95-L98 WeakPolarHBondContact O-CB 3.27Å; L95-L98 PolarHBondContact O-N 2.81Å; L98-D102 HydrophobicContact CB-CB 3.82Å; L98-D102 HydrophobicContact CD2-CB 4Å; L98-D102 HydrophobicContact CG-CB 4.32Å; L98-F103 HydrophobicContact CB-CD2 3.69Å; L98-F103 HydrophobicContact CB-CE2 3.63Å; L98-F103 HydrophobicContact CD1-CD2 4.23Å; L98-F103 HydrophobicContact CD1-CE2 4.1Å; L98-F103 HydrophobicContact CD1-CZ 4.49Å; L98-F103 HydrophobicContact CG-CE2 4.43Å
99T92.7Very high92.3Very high72 Ų7276.5 Ų76.544%0.44237%0.371SS..  trans-72.5167.4170.569.50000111.4E101 D102 F103T99-E101 PolarHBondContact O-N 2.75Å; T99-E101 VanDerWaalsContact O-N 3.15Å; T99-E101 PolarHBondContact OG1-N 3Å; T99-D102 WeakPolarHBondContact CB-OD2 3.42Å; T99-D102 WeakPolarHBondContact CG2-OD2 3.45Å; T99-D102 PolarHBondContact N-OD2 3.05Å; T99-D102 WeakPolarHBondContact O-CB 3.39Å; T99-D102 PolarHBondContact O-N 2.72Å; T99-D102 VanDerWaalsContact O-N 3.16Å; T99-D102 PolarHBondContact OG1-N 3.03Å; T99-D102 VanDerWaalsContact OG1-N 3.08Å; T99-D102 PolarHBondContact OG1-OD2 3.06Å; T99-F103 WeakPolarHBondContact O-CD2 3.49Å; T99-F103 PolarHBondContact O-N 3.3Å; T99-F103 VanDerWaalsContact O-N 3.11Å
100K92.9Very high92.3Very high65 Ų6569.9 Ų69.928%0.28334%0.34SS..Hα-helixtrans-59.1-24.3171-167.8168.5-175.7172.70112.6R104 Y115 E116K100-R104 WeakPolarHBondContact O-CD 3.22Å; K100-R104 WeakPolarHBondContact O-CG 3.24Å; K100-R104 PolarHBondContact O-N 3.07Å; K100-Y115 HydrophobicContact CB-CD1 3.77Å; K100-Y115 HydrophobicContact CB-CD2 3.95Å; K100-Y115 HydrophobicContact CB-CE1 3.82Å; K100-Y115 HydrophobicContact CB-CE2 4Å; K100-Y115 HydrophobicContact CB-CG 3.82Å; K100-Y115 HydrophobicContact CD-CD1 3.64Å; K100-Y115 HydrophobicContact CD-CE1 3.95Å; K100-Y115 HydrophobicContact CD-CG 4.3Å; K100-Y115 HydrophobicContact CG-CD1 3.63Å; K100-Y115 HydrophobicContact CG-CD2 4.39Å; K100-Y115 HydrophobicContact CG-CE1 4.11Å; K100-Y115 HydrophobicContact CG-CG 3.78Å; K100-E116 WeakPolarHBondContact CE-OE1 3.22Å; K100-E116 IonicContact NZ-OE1 3.12Å; K100-E116 PolarHBondContact NZ-OE1 2.89Å
101E91.1Very high92.3Very high152 Ų15268.6 Ų68.671%0.7133%0.334SS*.Hα-helixtrans-77.9-43.2174.8-172.3163.3-156.100111.9T99 F103 R104 Y105T99-E101 PolarHBondContact O-N 2.75Å; T99-E101 VanDerWaalsContact O-N 3.15Å; T99-E101 PolarHBondContact OG1-N 3Å; E101-F103 VanDerWaalsContact C-N 3.28Å; E101-F103 PolarHBondContact O-N 3.09Å; E101-R104 CarbonylContact O-C 3.58Å; E101-R104 WeakPolarHBondContact O-CB 3.27Å; E101-R104 PolarHBondContact O-N 3.48Å; E101-R104 VanDerWaalsContact O-N 3.08Å; E101-Y105 PolarHBondContact O-N 3.02Å
102D94.3Very high92.2Very high58 Ų5868 Ų6831%0.3133%0.33SS..Hα-helixtrans-56.7-41.9173-70.5-78.9000112.4L98 T99 Y105 R106L98-D102 HydrophobicContact CB-CB 3.82Å; L98-D102 HydrophobicContact CD2-CB 4Å; L98-D102 HydrophobicContact CG-CB 4.32Å; T99-D102 WeakPolarHBondContact CB-OD2 3.42Å; T99-D102 WeakPolarHBondContact CG2-OD2 3.45Å; T99-D102 PolarHBondContact N-OD2 3.05Å; T99-D102 WeakPolarHBondContact O-CB 3.39Å; T99-D102 PolarHBondContact O-N 2.72Å; T99-D102 VanDerWaalsContact O-N 3.16Å; T99-D102 PolarHBondContact OG1-N 3.03Å; T99-D102 VanDerWaalsContact OG1-N 3.08Å; T99-D102 PolarHBondContact OG1-OD2 3.06Å; D102-Y105 PolarHBondContact O-N 3.02Å; D102-R106 WeakPolarHBondContact O-CB 3.22Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.45Å; D102-R106 PolarHBondContact O-N 3.27Å
103F94.9Very high92.2Very high1 Ų170.6 Ų70.60%0.00435%0.346CS..Hα-helixtrans-62.1-42.7175.6-94.2-90.1000112.1W70 F88 L95 L98 T99 E101 R106 S107 G111 L114 Y115 L118W70-F103 HydrophobicContact CH2-CE1 4.03Å; W70-F103 HydrophobicContact CH2-CZ 4.46Å; W70-F103 HydrophobicContact CZ3-CE1 4.29Å; F88-F103 HydrophobicContact CD1-CE1 4.37Å; F88-F103 AromaticContact CE1-CD1 3.5Å; F88-F103 HydrophobicContact CE1-CD1 3.5Å; F88-F103 AromaticContact CE1-CE1 3.61Å; F88-F103 HydrophobicContact CE1-CE1 3.61Å; F88-F103 HydrophobicContact CE1-CG 4.09Å; F88-F103 HydrophobicContact CE1-CZ 4.29Å; F88-F103 AromaticContact CZ-CD1 3.58Å; F88-F103 HydrophobicContact CZ-CD1 3.58Å; F88-F103 AromaticContact CZ-CE1 3.99Å; F88-F103 HydrophobicContact CZ-CE1 3.99Å; F88-F103 HydrophobicContact CZ-CG 4.31Å; L95-F103 HydrophobicContact CD1-CE1 4.03Å; L95-F103 HydrophobicContact CD1-CE2 4.43Å; L95-F103 HydrophobicContact CD1-CZ 3.57Å; L95-F103 HydrophobicContact CG-CZ 3.9Å; L98-F103 HydrophobicContact CB-CD2 3.69Å; L98-F103 HydrophobicContact CB-CE2 3.63Å; L98-F103 HydrophobicContact CD1-CD2 4.23Å; L98-F103 HydrophobicContact CD1-CE2 4.1Å; L98-F103 HydrophobicContact CD1-CZ 4.49Å; L98-F103 HydrophobicContact CG-CE2 4.43Å; T99-F103 WeakPolarHBondContact O-CD2 3.49Å; T99-F103 PolarHBondContact O-N 3.3Å; T99-F103 VanDerWaalsContact O-N 3.11Å; E101-F103 VanDerWaalsContact C-N 3.28Å; E101-F103 PolarHBondContact O-N 3.09Å; F103-R106 PolarHBondContact O-N 3.17Å; F103-S107 PolarHBondContact O-N 3.07Å; F103-G111 WeakPolarHBondContact CB-O 3.38Å; F103-G111 WeakPolarHBondContact O-CA 3.21Å; F103-L114 HydrophobicContact CD1-CB 3.88Å; F103-L114 HydrophobicContact CE1-CB 4.05Å; F103-Y115 AromaticContact CD2-CD2 3.7Å; F103-Y115 HydrophobicContact CD2-CD2 3.7Å; F103-Y115 HydrophobicContact CD2-CG 4.49Å; F103-Y115 HydrophobicContact CE2-CD2 4.03Å; F103-Y115 HydrophobicContact CG-CD2 4.35Å; F103-L118 HydrophobicContact CE2-CD2 4.09Å; F103-L118 HydrophobicContact CZ-CD2 3.7Å
104R93.8Very high92.4Very high116 Ų11665.1 Ų65.144%0.43832%0.322SS..Hα-helixtrans-67.4-38.6175.3-74.7167.8166.4161.9-5112.3K100 E101 R106 S107 P108 D112K100-R104 WeakPolarHBondContact O-CD 3.22Å; K100-R104 WeakPolarHBondContact O-CG 3.24Å; K100-R104 PolarHBondContact O-N 3.07Å; E101-R104 CarbonylContact O-C 3.58Å; E101-R104 WeakPolarHBondContact O-CB 3.27Å; E101-R104 PolarHBondContact O-N 3.48Å; E101-R104 VanDerWaalsContact O-N 3.08Å; R104-R106 VanDerWaalsContact C-N 3.34Å; R104-S107 CarbonylContact O-C 3.1Å; R104-S107 PolarHBondContact O-N 2.97Å; R104-P108 WeakPolarHBondContact O-CA 3.44Å; R104-P108 WeakPolarHBondContact O-CD 3.35Å; R104-P108 WeakPolarHBondContact O-CG 3.39Å; R104-D112 HydrophobicContact CG-CB 4.43Å; R104-D112 IonicContact NH2-OD2 2.71Å
105Y93.6Very high92.5Very high198 Ų19866 Ų6678%0.77632%0.319SS*.Hα-helixtrans-62.8-41.8174.9-177.2-95.3000111.5E101 D102E101-Y105 PolarHBondContact O-N 3.02Å; D102-Y105 PolarHBondContact O-N 3.02Å
106R91.6Very high92.4Very high89 Ų8970.4 Ų70.434%0.33634%0.339SS..Hα-helixtrans-75.1-29.4177.6-69.6169.3-174.9-76.3-7.6113.7T87 F88 D102 F103 R104T87-R106 VanDerWaalsContact CG2-O 3.24Å; T87-R106 WeakPolarHBondContact CG2-O 3.39Å; T87-R106 PolarHBondContact O-NH1 3.43Å; F88-R106 HydrophobicContact CE1-CB 3.91Å; F88-R106 HydrophobicContact CE1-CG 4.42Å; F88-R106 HydrophobicContact CE2-CB 3.99Å; F88-R106 HydrophobicContact CZ-CB 3.57Å; D102-R106 WeakPolarHBondContact O-CB 3.22Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.45Å; D102-R106 PolarHBondContact O-N 3.27Å; F103-R106 PolarHBondContact O-N 3.17Å; R104-R106 VanDerWaalsContact C-N 3.34Å
107S92.5Very high92.3Very high14 Ų1468.1 Ų68.110%0.09833%0.328CS..  trans-14388.9174.7-174.90000111.3F103 R104 H109 S110 G111F103-S107 PolarHBondContact O-N 3.07Å; R104-S107 CarbonylContact O-C 3.1Å; R104-S107 PolarHBondContact O-N 2.97Å; S107-H109 PolarHBondContact O-N 3.41Å; S107-S110 PolarHBondContact O-N 3.24Å; S107-G111 WeakPolarHBondContact O-CA 3.27Å; S107-G111 PolarHBondContact O-N 2.93Å
108P90.9Very high92.2Very high102 Ų10261.2 Ų61.266%0.66229%0.291SS*.THydrogen-bonded Turntrans-63-13.2-176.7-27.836.5000115.6R104R104-P108 WeakPolarHBondContact O-CA 3.44Å; R104-P108 WeakPolarHBondContact O-CD 3.35Å; R104-P108 WeakPolarHBondContact O-CG 3.39Å
109H89.3Confident92.1Very high117 Ų11763.5 Ų63.554%0.54230%0.301SS..THydrogen-bonded Turntrans-104.8-10.9-176.3-54.695.3000113.8R81 S107R81-H109 PolarHBondContact NH2-CD2 2.82Å; R81-H109 PolarHBondContact NH2-CE1 3.46Å; R81-H109 PolarHBondContact NH2-NE2 3.2Å; S107-H109 PolarHBondContact O-N 3.41Å
110S92.4Very high91.6Very high3 Ų365 Ų652%0.02130%0.303CS..THydrogen-bonded Turntrans-155.5-1.6-170.1-48.10000114.2S107 D112 V113 L114S107-S110 PolarHBondContact O-N 3.24Å; S110-D112 VanDerWaalsContact C-N 3.31Å; S110-D112 PolarHBondContact O-N 3.45Å; S110-V113 PolarHBondContact O-N 3.06Å; S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 VanDerWaalsContact O-CG 3.3Å; S110-L114 WeakPolarHBondContact O-CG 3.33Å; S110-L114 PolarHBondContact O-N 2.95Å
111G91.4Very high91.3Very high0 Ų062.2 Ų62.20%029%0.291CS..Hα-helixtrans-62.6-34.2-174.900000113.8F103 S107 Y115F103-G111 WeakPolarHBondContact CB-O 3.38Å; F103-G111 WeakPolarHBondContact O-CA 3.21Å; S107-G111 WeakPolarHBondContact O-CA 3.27Å; S107-G111 PolarHBondContact O-N 2.93Å; G111-Y115 VanDerWaalsContact O-CB 3.29Å; G111-Y115 WeakPolarHBondContact O-CB 3.4Å; G111-Y115 PolarHBondContact O-N 3.36Å
112D91.9Very high90.9Very high62 Ų6256.7 Ų56.733%0.33227%0.267SS..Hα-helixtrans-68.8-43.1172.251.6-4.2000112.8R104 S110 L114 Y115 E116R104-D112 HydrophobicContact CG-CB 4.43Å; R104-D112 IonicContact NH2-OD2 2.71Å; S110-D112 VanDerWaalsContact C-N 3.31Å; S110-D112 PolarHBondContact O-N 3.45Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.23Å; D112-Y115 PolarHBondContact O-N 3.09Å; D112-E116 WeakPolarHBondContact O-CG 3.25Å; D112-E116 PolarHBondContact O-N 3.2Å
113V91.6Very high89.9Confident55 Ų5560.3 Ų60.333%0.33328%0.279SS..Hα-helixtrans-60.2-44.2173.2-175.30000110.9F78 L80 S110 E116 L117F78-V113 HydrophobicContact CB-CG1 4.46Å; F78-V113 HydrophobicContact CD1-CG1 4.42Å; F78-V113 HydrophobicContact CG-CG1 4.4Å; L80-V113 HydrophobicContact CD2-CB 4.37Å; L80-V113 HydrophobicContact CD2-CG1 4.13Å; S110-V113 PolarHBondContact O-N 3.06Å; V113-E116 PolarHBondContact O-N 3.39Å; V113-L117 WeakPolarHBondContact O-CB 3.5Å; V113-L117 PolarHBondContact O-N 3.01Å
114L92.8Very high88.2Confident0 Ų064.8 Ų64.80%030%0.3CS..Hα-helixtrans-64-39176.6-69.9171.9000112.5W70 L71 A74 L80 I83 F88 F103 S110 D112 L118W70-L114 HydrophobicContact CH2-CB 4.15Å; W70-L114 HydrophobicContact CH2-CD2 4.19Å; W70-L114 WeakPolarHBondContact CH2-O 3.14Å; W70-L114 HydrophobicContact CZ2-CD2 4.39Å; W70-L114 WeakPolarHBondContact CZ2-O 3.05Å; L71-L114 HydrophobicContact CD2-CD1 3.9Å; L71-L114 HydrophobicContact CD2-CD2 3.87Å; L71-L114 HydrophobicContact CD2-CG 4.48Å; A74-L114 HydrophobicContact CB-CD2 3.74Å; L80-L114 HydrophobicContact CD1-CD2 3.99Å; L80-L114 HydrophobicContact CD1-CG 4.35Å; I83-L114 HydrophobicContact CD1-CD1 3.86Å; I83-L114 HydrophobicContact CD1-CD2 4.09Å; I83-L114 HydrophobicContact CD1-CG 4.49Å; F88-L114 HydrophobicContact CE2-CD1 4.12Å; F88-L114 HydrophobicContact CZ-CD1 4.4Å; F103-L114 HydrophobicContact CD1-CB 3.88Å; F103-L114 HydrophobicContact CE1-CB 4.05Å; S110-L114 WeakPolarHBondContact O-CB 3.33Å; S110-L114 VanDerWaalsContact O-CG 3.3Å; S110-L114 WeakPolarHBondContact O-CG 3.33Å; S110-L114 PolarHBondContact O-N 2.95Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.23Å; L114-L118 WeakPolarHBondContact O-CB 3.43Å; L114-L118 PolarHBondContact O-N 3.37Å
115Y93.5Very high86.6Confident53 Ų5361.1 Ų61.121%0.20829%0.287CS..Hα-helixtrans-66.4-50175-178.3-90.9000111.2K100 F103 G111 D112 L117 L118 Q119K100-Y115 HydrophobicContact CB-CD1 3.77Å; K100-Y115 HydrophobicContact CB-CD2 3.95Å; K100-Y115 HydrophobicContact CB-CE1 3.82Å; K100-Y115 HydrophobicContact CB-CE2 4Å; K100-Y115 HydrophobicContact CB-CG 3.82Å; K100-Y115 HydrophobicContact CD-CD1 3.64Å; K100-Y115 HydrophobicContact CD-CE1 3.95Å; K100-Y115 HydrophobicContact CD-CG 4.3Å; K100-Y115 HydrophobicContact CG-CD1 3.63Å; K100-Y115 HydrophobicContact CG-CD2 4.39Å; K100-Y115 HydrophobicContact CG-CE1 4.11Å; K100-Y115 HydrophobicContact CG-CG 3.78Å; F103-Y115 AromaticContact CD2-CD2 3.7Å; F103-Y115 HydrophobicContact CD2-CD2 3.7Å; F103-Y115 HydrophobicContact CD2-CG 4.49Å; F103-Y115 HydrophobicContact CE2-CD2 4.03Å; F103-Y115 HydrophobicContact CG-CD2 4.35Å; G111-Y115 VanDerWaalsContact O-CB 3.29Å; G111-Y115 WeakPolarHBondContact O-CB 3.4Å; G111-Y115 PolarHBondContact O-N 3.36Å; D112-Y115 PolarHBondContact O-N 3.09Å; Y115-L117 VanDerWaalsContact C-N 3.27Å; Y115-L117 PolarHBondContact O-N 2.99Å; Y115-L118 PolarHBondContact O-N 3.3Å; Y115-L118 VanDerWaalsContact O-N 3.13Å; Y115-Q119 HydrophobicContact CD1-CG 3.9Å; Y115-Q119 HydrophobicContact CE1-CG 3.52Å; Y115-Q119 WeakPolarHBondContact O-CG 3.43Å; Y115-Q119 PolarHBondContact O-N 2.99Å; Y115-Q119 PolarHBondContact OH-NE2 3.41Å
116E92.5Very high84.2Confident92 Ų9257 Ų5743%0.4327%0.273SS..Hα-helixtrans-61.9-35.8177-67.4-49.6138.100111.8K100 D112 V113 Q119 H120K100-E116 WeakPolarHBondContact CE-OE1 3.22Å; K100-E116 IonicContact NZ-OE1 3.12Å; K100-E116 PolarHBondContact NZ-OE1 2.89Å; D112-E116 WeakPolarHBondContact O-CG 3.25Å; D112-E116 PolarHBondContact O-N 3.2Å; V113-E116 PolarHBondContact O-N 3.39Å; E116-Q119 PolarHBondContact O-N 2.92Å; E116-H120 WeakPolarHBondContact O-CB 3.49Å; E116-H120 PolarHBondContact O-N 3.05Å
117L90.4Very high81.6Confident13 Ų1357.2 Ų57.27%0.06829%0.288CS..Hα-helixtrans-64.6-41173.5-179.258.6000112.1W70 W73 A74 F78 V113 Y115 H120 I121W70-L117 HydrophobicContact CZ2-CB 4.38Å; W70-L117 HydrophobicContact CZ2-CD2 4.16Å; W70-L117 HydrophobicContact CZ2-CG 4.17Å; W73-L117 HydrophobicContact CH2-CD1 4.08Å; W73-L117 HydrophobicContact CZ3-CD1 3.94Å; W73-L117 HydrophobicContact CZ3-CD2 3.85Å; W73-L117 HydrophobicContact CZ3-CG 4.25Å; A74-L117 HydrophobicContact CB-CD2 3.47Å; A74-L117 VanDerWaalsContact CB-CD2 3.47Å; F78-L117 HydrophobicContact CD2-CD2 3.98Å; F78-L117 HydrophobicContact CE2-CD1 3.63Å; F78-L117 HydrophobicContact CE2-CD2 3.62Å; F78-L117 HydrophobicContact CE2-CG 4.22Å; F78-L117 HydrophobicContact CZ-CD1 3.74Å; F78-L117 HydrophobicContact CZ-CD2 4.44Å; V113-L117 WeakPolarHBondContact O-CB 3.5Å; V113-L117 PolarHBondContact O-N 3.01Å; Y115-L117 VanDerWaalsContact C-N 3.27Å; Y115-L117 PolarHBondContact O-N 2.99Å; L117-H120 PolarHBondContact O-N 3.29Å; L117-I121 HydrophobicContact CD1-CD1 4.44Å; L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.25Å; L117-I121 PolarHBondContact O-N 3.17Å
118L91.1Very high78.9Confident2 Ų260.5 Ų60.51%0.0131%0.311CS..Hα-helixtrans-65.8-43.9173.5-179.258.7000111.3P59 W62 W70 L95 L96 F103 L114 Y115 H120 I121 L122P59-L118 HydrophobicContact CB-CD1 3.89Å; P59-L118 HydrophobicContact CG-CD1 3.81Å; W62-L118 HydrophobicContact CZ3-CD1 4.42Å; W70-L118 HydrophobicContact CH2-CB 4.16Å; W70-L118 HydrophobicContact CZ2-CB 4.07Å; L95-L118 HydrophobicContact CD2-CD1 4.5Å; L95-L118 HydrophobicContact CD2-CD2 4.08Å; L95-L118 HydrophobicContact CG-CD2 4.02Å; L96-L118 HydrophobicContact CD2-CD1 4.36Å; L96-L118 HydrophobicContact CD2-CD2 4.32Å; F103-L118 HydrophobicContact CE2-CD2 4.09Å; F103-L118 HydrophobicContact CZ-CD2 3.7Å; L114-L118 WeakPolarHBondContact O-CB 3.43Å; L114-L118 PolarHBondContact O-N 3.37Å; Y115-L118 PolarHBondContact O-N 3.3Å; Y115-L118 VanDerWaalsContact O-N 3.13Å; L118-H120 VanDerWaalsContact C-N 3.31Å; L118-H120 PolarHBondContact O-N 3.44Å; L118-I121 PolarHBondContact O-N 3.27Å; L118-L122 HydrophobicContact CD1-CD1 4.42Å; L118-L122 HydrophobicContact CG-CD1 4.19Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.42Å
119Q88.6Confident76.4Confident70 Ų7060.6 Ų60.633%0.32731%0.309SS..Hα-helixtrans-63.3-36.8174-62.4-48.5-39.600112.1Y115 E116 L122 K123Y115-Q119 HydrophobicContact CD1-CG 3.9Å; Y115-Q119 HydrophobicContact CE1-CG 3.52Å; Y115-Q119 WeakPolarHBondContact O-CG 3.43Å; Y115-Q119 PolarHBondContact O-N 2.99Å; Y115-Q119 PolarHBondContact OH-NE2 3.41Å; E116-Q119 PolarHBondContact O-N 2.92Å; Q119-L122 CarbonylContact O-C 3.53Å; Q119-L122 PolarHBondContact O-N 3.24Å; Q119-K123 WeakPolarHBondContact O-CB 3.42Å; Q119-K123 PolarHBondContact O-N 3.47Å
120H83.4Confident73.8Confident103 Ų10361.9 Ų61.948%0.47731%0.313SS..Hα-helixtrans-65.3-43.3175.1-169.788.6000111.1E116 L117 L118 L122 K123 Q124E116-H120 WeakPolarHBondContact O-CB 3.49Å; E116-H120 PolarHBondContact O-N 3.05Å; L117-H120 PolarHBondContact O-N 3.29Å; L118-H120 VanDerWaalsContact C-N 3.31Å; L118-H120 PolarHBondContact O-N 3.44Å; H120-L122 VanDerWaalsContact C-N 3.32Å; H120-L122 PolarHBondContact O-N 2.94Å; H120-K123 PolarHBondContact O-N 3.05Å; H120-Q124 PolarHBondContact CE1-NE2 3.33Å; H120-Q124 WeakPolarHBondContact NE2-CG 3.38Å; H120-Q124 PolarHBondContact NE2-NE2 3Å; H120-Q124 VanDerWaalsContact O-CB 3.27Å; H120-Q124 WeakPolarHBondContact O-CB 3.44Å; H120-Q124 WeakPolarHBondContact O-CG 3.41Å; H120-Q124 PolarHBondContact O-N 3.03Å
121I85.1Confident70.6Confident6 Ų666.5 Ų66.53%0.03135%0.345CS..Hα-helixtrans-60.6-41.7173.5-72.1167.1000111.2L51 P59 W62 L117 L118 R125L51-I121 HydrophobicContact CD1-CD1 3.65Å; L51-I121 HydrophobicContact CD1-CG1 3.68Å; L51-I121 HydrophobicContact CD2-CD1 4.36Å; P59-I121 HydrophobicContact CG-CG2 3.86Å; W62-I121 HydrophobicContact CH2-CD1 4.08Å; W62-I121 HydrophobicContact CZ2-CG2 4.47Å; L117-I121 HydrophobicContact CD1-CD1 4.44Å; L117-I121 HydrophobicContact CG-CD1 4.33Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.25Å; L117-I121 PolarHBondContact O-N 3.17Å; L118-I121 PolarHBondContact O-N 3.27Å; I121-R125 WeakPolarHBondContact O-CB 3.17Å; I121-R125 WeakPolarHBondContact O-CG 3.03Å; I121-R125 PolarHBondContact O-N 3.21Å; I121-R125 VanDerWaalsContact O-N 3.15Å
122L82.8Confident67.8Low37 Ų3772 Ų7219%0.19438%0.381CS..Hα-helixtrans-70.2-31.1176.4-67.1166.4000113.1P59 L96 L118 Q119 H120 K126P59-L122 HydrophobicContact CG-CD2 3.95Å; P59-L122 HydrophobicContact CG-CG 4.44Å; L96-L122 HydrophobicContact CD2-CD1 3.62Å; L96-L122 HydrophobicContact CD2-CD2 4.05Å; L96-L122 HydrophobicContact CD2-CG 4.36Å; L118-L122 HydrophobicContact CD1-CD1 4.42Å; L118-L122 HydrophobicContact CG-CD1 4.19Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.42Å; Q119-L122 CarbonylContact O-C 3.53Å; Q119-L122 PolarHBondContact O-N 3.24Å; H120-L122 VanDerWaalsContact C-N 3.32Å; H120-L122 PolarHBondContact O-N 2.94Å; L122-K126 WeakPolarHBondContact O-CD 3.32Å; L122-K126 WeakPolarHBondContact O-CG 3.39Å
123K74.6Confident64.9Low133 Ų13374.5 Ų74.558%0.57840%0.403SS*.Hα-helixtrans-76-51.3174.4-171.7173-178.3176.50111Q119 H120 R125 K126 S127 E454Q119-K123 WeakPolarHBondContact O-CB 3.42Å; Q119-K123 PolarHBondContact O-N 3.47Å; H120-K123 PolarHBondContact O-N 3.05Å; K123-R125 PolarHBondContact O-N 3Å; K123-K126 WeakPolarHBondContact O-CB 3.49Å; K123-K126 PolarHBondContact O-N 3.02Å; K123-S127 PolarHBondContact O-N 3.39Å; K123-S127 PolarHBondContact O-OG 3.36Å; K123-E454 IonicContact NZ-OE1 2.75Å
124Q58.8Low62.1Low96 Ų9676 Ų7645%0.44942%0.421SS..Hα-helixtrans-55-36.8178.6-73.8-73.110.500112.5H120 S127 S128H120-Q124 PolarHBondContact CE1-NE2 3.33Å; H120-Q124 WeakPolarHBondContact NE2-CG 3.38Å; H120-Q124 PolarHBondContact NE2-NE2 3Å; H120-Q124 VanDerWaalsContact O-CB 3.27Å; H120-Q124 WeakPolarHBondContact O-CB 3.44Å; H120-Q124 WeakPolarHBondContact O-CG 3.41Å; H120-Q124 PolarHBondContact O-N 3.03Å; Q124-S127 CarbonylContact O-C 3.54Å; Q124-S127 PolarHBondContact O-N 2.77Å; Q124-S127 PolarHBondContact O-OG 2.58Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 2.84Å; Q124-S128 VanDerWaalsContact O-N 3.08Å
125R59.5Low59.2Low39 Ų3986.6 Ų86.615%0.14746%0.462CS..Hα-helixtrans-80.6-21.4179.6-67.2179.1-164.9167.38.2114L55 R56 L57 I121 K123 S127 S128 V129L55-R125 VanDerWaalsContact O-CZ 3.26Å; L55-R125 PolarHBondContact O-NH1 3.36Å; L55-R125 PolarHBondContact O-NH2 3.26Å; R56-R125 VanDerWaalsContact C-NH1 3.33Å; R56-R125 VanDerWaalsContact O-CZ 3.29Å; R56-R125 PolarHBondContact O-NH1 3Å; L57-R125 PolarHBondContact O-NH1 3.1Å; I121-R125 WeakPolarHBondContact O-CB 3.17Å; I121-R125 WeakPolarHBondContact O-CG 3.03Å; I121-R125 PolarHBondContact O-N 3.21Å; I121-R125 VanDerWaalsContact O-N 3.15Å; K123-R125 PolarHBondContact O-N 3Å; R125-S127 PolarHBondContact O-N 2.81Å; R125-S128 PolarHBondContact O-N 3.3Å; R125-S128 VanDerWaalsContact O-N 3.09Å; R125-V129 WeakPolarHBondContact O-CG2 3.3Å; R125-V129 PolarHBondContact O-N 3.33Å
126K43Very low56.3Low111 Ų11194 Ų9448%0.48350%0.496SS..Hα-helixtrans-65.4-21165.3-72165-175.5172.20112.3L122 K123L122-K126 WeakPolarHBondContact O-CD 3.32Å; L122-K126 WeakPolarHBondContact O-CG 3.39Å; K123-K126 WeakPolarHBondContact O-CB 3.49Å; K123-K126 PolarHBondContact O-N 3.02Å
127S36.8Very low53.5Low93 Ų9395.6 Ų95.665%0.6551%0.514SS*.THydrogen-bonded Turntrans-103.86.3169.947.20000114.7K123 Q124 R125K123-S127 PolarHBondContact O-N 3.39Å; K123-S127 PolarHBondContact O-OG 3.36Å; Q124-S127 CarbonylContact O-C 3.54Å; Q124-S127 PolarHBondContact O-N 2.77Å; Q124-S127 PolarHBondContact O-OG 2.58Å; R125-S127 PolarHBondContact O-N 2.81Å
128S35.5Very low50.4Low84 Ų8498.3 Ų98.359%0.58755%0.545SS*.  trans-142.635.8-169.9-161.50000113.6Q124 R125Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 2.84Å; Q124-S128 VanDerWaalsContact O-N 3.08Å; R125-S128 PolarHBondContact O-N 3.3Å; R125-S128 VanDerWaalsContact O-N 3.09Å
129V39.9Very low47.4Very low104 Ų104105.2 Ų105.263%0.6358%0.583SS**SBendtrans-87.9-26.2169.2160.10000112.2R125 C131R125-V129 WeakPolarHBondContact O-CG2 3.3Å; R125-V129 PolarHBondContact O-N 3.33Å; V129-C131 PolarHBondContact O-N 3.29Å
130F34.4Very low44.9Very low143 Ų143107.5 Ų107.563%0.62761%0.606SS**  trans-97.177.4-178.3-83.1-87.3000113.7
131C25.9Very low42.3Very low101 Ų101110.9 Ų110.968%0.68262%0.62SS**  trans-154.994.8154-165.50000112.2V129 S133V129-C131 PolarHBondContact O-N 3.29Å; C131-S133 VanDerWaalsContact C-N 3.33Å; C131-S133 PolarHBondContact O-N 3.49Å
132P31.4Very low39.6Very low116 Ų116119.1 Ų119.175%0.75366%0.658SS**  trans-79.87717332.9-34000111A134P132-A134 PolarHBondContact O-N 3.28Å; P132-A134 VanDerWaalsContact O-N 3.07Å
133S30.3Very low36.9Very low114 Ų114122.1 Ų122.180%0.79768%0.682SS**  trans-81.883180-167.20000112.5C131C131-S133 VanDerWaalsContact C-N 3.33Å; C131-S133 PolarHBondContact O-N 3.49Å
134A33.7Very low34.7Very low85 Ų85123.4 Ų123.470%0.70269%0.694SS**  trans-155.216.4168.200000115.3P132P132-A134 PolarHBondContact O-N 3.28Å; P132-A134 VanDerWaalsContact O-N 3.07Å
135Y32.5Very low34.1Very low223 Ų223123.6 Ų123.688%0.87570%0.704SS**  trans-94.7113.3170.7-81.5-74.1000111
136F31.8Very low32.4Very low208 Ų208130 Ų13091%0.91274%0.735SS**  trans-70.9132174.5-78.3-105.3000111.5
137P34.8Very low31.7Very low126 Ų126129.6 Ų129.682%0.81875%0.747SS**  trans-99.9129.5163.834.3-27.4000112.2
138G25.1Very low31.3Very low70 Ų70130 Ų13072%0.72276%0.755SS**  trans113114170.800000113.5
139N27Very low31Very low148 Ų148131.3 Ų131.379%0.79176%0.76SS**  cis-149153.538.7-85-15.9000113.8F141N139-F141 HydrophobicContact CB-CD2 4.31Å; N139-F141 HydrophobicContact CB-CE2 4.45Å
140S35.6Very low30.4Very low118 Ų118135 Ų13583%0.82577%0.77SS**  trans-90.3124.7170.7-49.80000111.1
141F29.1Very low30Very low173 Ų173135.6 Ų135.676%0.75977%0.774SS**  trans-143.897.9166.7-87.6-79000113.5N139N139-F141 HydrophobicContact CB-CD2 4.31Å; N139-F141 HydrophobicContact CB-CE2 4.45Å
142H30Very low30.1Very low180 Ų180138.4 Ų138.483%0.83378%0.782SS**  trans57.1176.3148.8-70.4-93.4000119.6
143S25Very low30Very low99 Ų99140 Ų14069%0.69278%0.777SS**  trans-150.7164.4-154.451.90000114
144L28.2Very low29.8Very low160 Ų160142.6 Ų142.684%0.83878%0.781SS**  trans70.5155.8177.2-83.284.4000117
145P47.3Very low29.6Very low101 Ų101145.2 Ų145.266%0.65678%0.779SS**  cis-145.1-178.2-41.342.7-25.8000115.3
146E23.7Very low29.4Very low172 Ų172142.7 Ų142.780%0.80478%0.775SS**  trans87.3122.7136.4-155147.8-170.600124.1
147S27.2Very low29.3Very low104 Ų104138.4 Ų138.473%0.72777%0.766SS**  trans26112.8146.7-550000124
148A28.5Very low28.9Very low100 Ų100138.9 Ų138.983%0.82677%0.766SS**  trans-179.2156.2130.900000110
149V29.1Very low29.2Very low112 Ų112146.2 Ų146.268%0.67977%0.772SS**  cis168.2132.4-35.5140.40000105.4
150Q27.1Very low29.2Very low183 Ų183150.4 Ų150.486%0.85578%0.777SS**  trans63.1159.9168-76.7160.627.300116.9
151H26.1Very low29Very low154 Ų154149 Ų14971%0.71377%0.772SS**  cis160.7119.9-22.1157.5-89.8000105.2
152L29.1Very low29.7Very low160 Ų160147.2 Ų147.284%0.83878%0.778SS**  trans-162.4146.2143-134.877.4000111
153K27.9Very low29.7Very low149 Ų149150.7 Ų150.765%0.64878%0.784SS**  trans-122.5136.4173178.7-163.6177-162.80107.9E155K153-E155 WeakPolarHBondContact CE-OE1 3.26Å; K153-E155 IonicContact NZ-OE1 3.3Å; K153-E155 PolarHBondContact NZ-OE1 2.94Å
154L27.3Very low29.9Very low170 Ų170149.2 Ų149.289%0.8978%0.784SS**  trans-150157.7158.7-161.154.9000110.7
155E29.5Very low30Very low139 Ų139148.6 Ų148.665%0.6579%0.787SS**  trans-121.8-157.8-168.4-58.8-171.8168.800112.6K153K153-E155 WeakPolarHBondContact CE-OE1 3.26Å; K153-E155 IonicContact NZ-OE1 3.3Å; K153-E155 PolarHBondContact NZ-OE1 2.94Å
156E27.3Very low29.1Very low171 Ų171150.1 Ų150.180%0.79979%0.786SS**  trans79.784.5168.3-62.8-156.272.800120.6
157T31.3Very low29.8Very low118 Ų118147.6 Ų147.672%0.72478%0.784SS**  22135.5113.458.30000121.1
158V26Very low30.2Very low136 Ų136149.1 Ų149.182%0.82478%0.783SS**  175.5157.9110.6151.20000111.3
159R32Very low30.8Very low223 Ų223149.3 Ų149.384%0.84278%0.776SS**  trans-101.1149.3-178.5-63.6172.3167167.7-5.4114
160R26.1Very low30.9Very low236 Ų236153.3 Ų153.389%0.89179%0.788SS**  179.5166.3122.8-98.6164.3-169.390.2-8.7114.2
161A31.9Very low31.3Very low89 Ų89152 Ų15274%0.73679%0.786SS**  trans-127.7169.8170.100000109.7
162P42.5Very low31.7Very low136 Ų136150 Ų15088%0.88379%0.787SS**  -149.2-15711339.4-20.6000115.6
163R31.2Very low32.4Very low253 Ų253148.7 Ų148.796%0.95579%0.788SS**  trans-106.4162.4-155.8-64.7171165.5160.6-7.7117.2
164G28.3Very low32.7Very low67 Ų67147.6 Ų147.669%0.69179%0.794SS**  trans178162.1153.600000111
165T31Very low33.1Very low147 Ų147146.5 Ų146.590%0.90279%0.788SS**  cis-159.3166.8-16.1-52.50000108.6
166E27.7Very low33.4Very low133 Ų133145.5 Ų145.562%0.62178%0.783SS**  trans-111160.3178.1-111.7-79.3100.400110.6L168E166-L168 PolarHBondContact OE1-N 3.24Å; E166-L168 PolarHBondContact OE2-N 3.29Å
167P39.6Very low33.6Very low119 Ų119144.4 Ų144.477%0.77378%0.782SS**  -148.7155.165.638.2-16.9000120.7
168L34.2Very low33.8Very low136 Ų136148.9 Ų148.971%0.71279%0.786SS**  trans-36.3175.7153.5-11762.9000117.6E166E166-L168 PolarHBondContact OE1-N 3.24Å; E166-L168 PolarHBondContact OE2-N 3.29Å
169P41.4Very low34.2Very low105 Ų105150.5 Ų150.568%0.68278%0.784SS**  cis-145.6171.43.741.6-22.2000120
170Q32.2Very low34.3Very low195 Ų195151.6 Ų151.691%0.91179%0.788SS**  trans-164.9161.1134.2-110.4174.421.200113.1
171N34.4Very low34.4Very low155 Ų155150.3 Ų150.383%0.82978%0.783SS**  trans-116.4154.8-168.9-64.8-79.1000114.4
172P33.9Very low34.2Very low112 Ų112152 Ų15273%0.72779%0.789SS**  trans-96.6158.7149.636.6-30000112.6
173P44.8Very low33.6Very low133 Ų133155.8 Ų155.886%0.86479%0.786SS**  trans-91172.6-17136.1-37.3000116.2
174T33.7Very low33.4Very low126 Ų126149.4 Ų149.477%0.77378%0.78SS**  trans-124.3176.2-170.3-24.50000112.6
175I35.9Very low33.4Very low147 Ų147157.3 Ų157.375%0.75479%0.789SS**  trans76.5140.6159.9-73.6158.7000114
176E35.6Very low33.3Very low118 Ų118155.5 Ų155.555%0.55178%0.782SS**  cis-117.2153.821.2-80.8-87.258.300115.2R178E176-R178 HydrophobicContact CB-CG 4.4Å; E176-R178 IonicContact OE2-CZ 2.71Å; E176-R178 IonicContact OE2-NE 3.42Å; E176-R178 PolarHBondContact OE2-NE 3.42Å; E176-R178 IonicContact OE2-NH2 2.72Å; E176-R178 PolarHBondContact OE2-NH2 3.03Å
177L31.9Very low34.3Very low149 Ų149154.6 Ų154.678%0.7879%0.788SS**  trans-125.6100.5162-158.590.1000110.7H179L177-H179 PolarHBondContact O-N 2.85Å
178R35.2Very low33.9Very low211 Ų211157 Ų15780%0.79679%0.794SS**  trans-91.5101.7-171.7-71.3-169.3171177.9-0.2113.9E176E176-R178 HydrophobicContact CB-CG 4.4Å; E176-R178 IonicContact OE2-CZ 2.71Å; E176-R178 IonicContact OE2-NE 3.42Å; E176-R178 PolarHBondContact OE2-NE 3.42Å; E176-R178 IonicContact OE2-NH2 2.72Å; E176-R178 PolarHBondContact OE2-NH2 3.03Å
179H34.3Very low33.9Very low170 Ų170157 Ų15779%0.78780%0.795SS**  trans-67.3126.5164.9-75.993000111.7L177L177-H179 PolarHBondContact O-N 2.85Å
180R33.8Very low33.9Very low247 Ų247157.5 Ų157.593%0.93280%0.798SS**  trans-126.3111.5147.7-96.5-164.3174.6-142-0.3110.4
181R29.7Very low34Very low209 Ų209152.2 Ų152.279%0.78979%0.787SS**  trans-89.6142174-164.7-171.7-145.6-161.911.7108.3
182S26.7Very low34.6Very low124 Ų124150.3 Ų150.387%0.86778%0.783SS**  trans-151.5130.6162.1-76.10000110.4
183R30.1Very low34.4Very low216 Ų216156.3 Ų156.382%0.81579%0.791SS**  trans-123.6120.7176.3-84.5-174.2173.3-177-2.1109.2
184S27.2Very low33.6Very low118 Ų118161.6 Ų161.683%0.82579%0.794SS**  trans175.8147.9157.2-94.70000108.7
185R29Very low33.5Very low233 Ų233161 Ų16188%0.87980%0.795SS**  cis-160.8140.4-14.7-149.3179.6-174-163.93.1106.8
186S28.1Very low34Very low109 Ų109159 Ų15976%0.76279%0.792SS**  trans-79.3178.1168-33.20000110.4
187P49.5Very low33.6Very low115 Ų115161.8 Ų161.875%0.74781%0.805SS**  cis-131.5-172.8-8.642.3-27000113
188L30.5Very low33.6Very low169 Ų169162.2 Ų162.289%0.88580%0.803SS**  trans-162.8147.9133.8-109.5166.9000111.6
189N34.7Very low34.1Very low137 Ų137157.1 Ų157.173%0.73380%0.797SS**  trans-146146.8173.5-168.32.1000105.2
190P41.7Very low33.9Very low115 Ų115156.1 Ų156.175%0.74780%0.797SS**  -151156.3106.238.9-22.7000115.7
191A34.3Very low33.9Very low83 Ų83155.7 Ų155.769%0.68680%0.796SS**  trans-82168.9153.900000110.7
192P45Very low34.6Very low116 Ų116151.4 Ų151.475%0.75380%0.795SS**  -146.2138.5111.335.3-20000116.9
193R30.8Very low34.7Very low237 Ų237156.7 Ų156.789%0.89480%0.796SS**  trans27.6132.7136.5-61.2174.2172.3-107.10.9119.8
194R28.1Very low34.6Very low245 Ų245151 Ų15193%0.92579%0.789SS**  -166.1136.3107.4-104.6172.6-163.9-161.64.9114.2
195S32.3Very low34.6Very low112 Ų112149.9 Ų149.978%0.78379%0.787SS**  trans-114.7165.6144.5-39.20000105.5
196P44.7Very low34.6Very low106 Ų106143.3 Ų143.369%0.68878%0.777SS**  -155.4-172.166.142.8-21.6000117
197Q27.9Very low34.6Very low177 Ų177146.6 Ų146.683%0.82778%0.78SS**  trans82.2111.8146-88.7175.2-79.200123.3
198E32.1Very low33.7Very low158 Ų158148.1 Ų148.174%0.73878%0.782SS**  trans-42.2151.5132.9-99.8-91.714600113.1N200E198-N200 PolarHBondContact OE2-N 3.35Å; E198-N200 VanDerWaalsContact OE2-N 3.17Å
199P46.4Very low34.7Very low103 Ų103144.6 Ų144.667%0.66977%0.77SS**  -154.3148.390.639.3-20.6000119.4
200N30.5Very low34.5Very low150 Ų150144.3 Ų144.380%0.80277%0.767SS**  trans71.1138.7137.8-77.4-32.8000123.2E198E198-N200 PolarHBondContact OE2-N 3.35Å; E198-N200 VanDerWaalsContact OE2-N 3.17Å
201R32.7Very low34Very low238 Ų238147 Ų14790%0.89877%0.77SS**  trans-72.9162.5168.5-124.5174.9-175177.42112.1
202P44.5Very low33.7Very low119 Ų119147.5 Ų147.577%0.77377%0.768SS**  -153.1177.383.341.6-22.6000118.2
203R28.6Very low32.9Very low234 Ų234151 Ų15188%0.88377%0.772SS**  trans-3.8160.8148-76-175.5174.7177.1-3.1120.5
204S27.9Very low32.8Very low96 Ų96143.9 Ų143.967%0.67176%0.758SS**  cis177.1160.6-10.752.20000110.7
205A28Very low33Very low96 Ų96141.3 Ų141.379%0.79376%0.757SS**  trans66154.8167.100000114.9
206S29.3Very low33.1Very low94 Ų94144 Ų14466%0.65776%0.762SS**  cis-159.5-164.6-10.5440000107.6
207E28Very low33.2Very low178 Ų178145.1 Ų145.183%0.83277%0.769SS**  cis-156.9-178.49.5-150.7139.8114.400111.6
208D29.8Very low33.2Very low148 Ų148143.4 Ų143.479%0.79177%0.765SS**  trans-97.4-168.7169.9-135.3-1000108.3
209P50.6Low33.3Very low95 Ų95140 Ų14062%0.61776%0.759SS**  cis-133.6-175.1-6.736.8-15.8000114.9
210L31.8Very low32.7Very low131 Ų131141.2 Ų141.269%0.68676%0.76SS**  170.3139.3112.3-88.7176.4000114.3
211Q30.9Very low32.9Very low172 Ų172141 Ų14180%0.80475%0.754SS**  trans70.7147.7149-73.917033.100118.5
212S27.5Very low33.1Very low93 Ų93137 Ų13765%0.6575%0.745SS**  cis-163.3139.8-4.7175.50000112.9
213F27.8Very low32.6Very low188 Ų188138.6 Ų138.683%0.82575%0.746SS**  trans56.7112.8149.7-82-118.3000123.3
214S29.8Very low32.7Very low88 Ų88131.5 Ų131.562%0.61574%0.738SS**  62111.5112.2-52.70000124.4
215Q31.3Very low32.7Very low192 Ų192135.7 Ų135.790%0.89775%0.747SS**  76.2150.9126-65.7179.8-14.200122
216L35.7Very low32.8Very low167 Ų167137.9 Ų137.987%0.87474%0.741SS**  trans-86.9172.9-175.9-66.5162.4000112.6
217P46.7Very low32.7Very low130 Ų130140.7 Ų140.784%0.84475%0.745SS**  -141.2-178.6115.340.3-28.8000116.5
218D27.8Very low32.9Very low141 Ų141142.3 Ų142.375%0.75475%0.745SS**  trans-73.2141.6-165.8-94.4-80.8000120.3
219S32.8Very low34.1Very low87 Ų87140 Ų14061%0.60874%0.738SS**  56.6169.1115.4-52.20000124.5
220N34.5Very low33.1Very low128 Ų128143.3 Ų143.368%0.68475%0.75SS**  trans86.8144.6160.4-54.7-26.7000117.9
221H35.4Very low33.3Very low145 Ų145142.1 Ų142.167%0.67175%0.753SS**  cis-171.8-178.6-13.3-111.3-20.2000112.4
222H36.7Very low33.2Very low156 Ų156140.3 Ų140.372%0.72275%0.753SS**  trans76.4152.5162.1-56.3-56.8000117.4
223L34.7Very low33.7Very low151 Ų151141 Ų14179%0.79176%0.758SS**  cis-154.7149.9-28.7-90.1170.8000104.4
224A30Very low35.6Very low86 Ų86137.9 Ų137.971%0.71176%0.756SS**  cis97116.116.400000116.7
225E27.2Very low36.6Very low183 Ų183139.4 Ų139.486%0.85576%0.764SS**  trans-149.4125.1154.1-94.6-161.6134.100106.5
226E30.7Very low37Very low143 Ų143134.5 Ų134.567%0.66876%0.757SS**  72.9133.9100-65-69.4103.300114.6
227M26.6Very low37.9Very low153 Ų153131.6 Ų131.675%0.75475%0.748SS**  cis-156.9156.8-1.9173.2165.621.200112.8
228Y33.5Very low37.3Very low212 Ų212133 Ų13383%0.83175%0.748SS**  trans-50-175.7172.6-70.7-80.4000118.8
229P55.1Low37.4Very low99 Ų99129.8 Ų129.864%0.64375%0.749SS**  cis-141.3-168.8-40.639.1-21.8000113.7
230L28.8Very low38.3Very low164 Ų164131.4 Ų131.486%0.85976%0.757SS**  -167.7135.1112.8-102.6173.1000113
231S35.4Very low38.1Very low107 Ų107131.2 Ų131.275%0.74876%0.764SS**  trans-102.3-171.1172.4-53.40000110.6
232V30.1Very low37.8Very low133 Ų133128.9 Ų128.981%0.80677%0.77SS**  -169153.967.7166.30000110.6
233S37.2Very low37.8Very low107 Ų107125.8 Ų125.875%0.74877%0.772SS**  trans-143.4174.4172-61.90000110
234P67.9Low38.5Very low123 Ų123124.1 Ų124.180%0.79977%0.77SS**  cis-107.6-98.6-6.721.82.4000112.3
235P50.9Low38.6Very low121 Ų121129.3 Ų129.379%0.78677%0.771SS**  cis-116-156.3-0.344.8-31.1000114.3
236A39.2Very low38.7Very low89 Ų89127.3 Ų127.374%0.73676%0.762SS**  trans-134.3-174.5166.300000107.9
237P55Low39Very low105 Ų105124.4 Ų124.468%0.68276%0.762SS**  cis-143.3-164.718.543.4-21.6000116.2
238N34.4Very low39.7Very low160 Ų160122.9 Ų122.986%0.85676%0.764SS**  trans135.4140151.4-68.8-34.6000114.2
239G29Very low39.8Very low74 Ų74118.3 Ų118.376%0.76376%0.763SS**  trans-114.3-147.9174.500000112
240P51.8Low39.1Very low120 Ų120120 Ų12078%0.77977%0.774SS**  cis-139.3-156.72.741.5-20.7000114.2
241C29.9Very low39.1Very low124 Ų124115.6 Ų115.684%0.83877%0.768SS**  trans75.6142.8165.1-68.40000118.4
242A30.5Very low38.8Very low97 Ų97117.6 Ų117.680%0.80277%0.77SS**  cis-152.3158.8-1000000112.1
243A35.8Very low38.8Very low91 Ų91119.7 Ų119.775%0.75277%0.771SS**  trans-105.5-161.6168.500000108.5
244P49Very low38.4Very low116 Ų116124.3 Ų124.375%0.75378%0.78SS**  cis-114.3-145.36.440.2-21.1000110.8
245R33.4Very low36.9Very low195 Ų195122.8 Ų122.874%0.73678%0.778SS**  cis-157.9160.79.2-129.9179.8169.1-163.5-28.4106.6
246E28.8Very low36.3Very low141 Ų141120.6 Ų120.666%0.65978%0.777SS**  cis-150.3-172.90.3-164.8129.4-122.300108.9
247A35.9Very low36.6Very low82 Ų82122 Ų12268%0.67878%0.779SS**  trans-136.3168.216800000108.6
248P42.7Very low36.1Very low121 Ų121123 Ų12379%0.78679%0.785SS**  -150.5-179.969.139.7-19.3000116.3
249S35.6Very low36.4Very low116 Ų116127 Ų12781%0.81179%0.789SS**  trans-123.1154.6159.6-48.70000108
250P40.6Very low36.8Very low134 Ų134129.7 Ų129.787%0.8779%0.79SS**  -154.3177.582.240.8-22.2000115.8
251G27.8Very low36.2Very low72 Ų72131.5 Ų131.574%0.74279%0.791SS**  trans138.7112.6151.400000119
252L29.1Very low36.4Very low149 Ų149132.4 Ų132.478%0.7878%0.783SS**  trans15.7130156-85.770.2000123.8
253Q30.5Very low37Very low177 Ų177135.4 Ų135.483%0.82779%0.785SS**  42.4118123.4-56.4176.93300121.6
254E29.5Very low37Very low203 Ų203137.5 Ų137.595%0.94978%0.781SS**  -150.2163.4119.3-143.8-176122.700110.1
255A34.7Very low36.6Very low92 Ų92137.7 Ų137.776%0.7678%0.782SS**  trans-120124.1-172.100000113
256G39.3Very low36.7Very low74 Ų74134.1 Ų134.176%0.76379%0.787SS**PPolyproline II helixtrans-88.8141178.200000113.8
257P45.4Very low37.3Very low120 Ų120133.8 Ų133.878%0.77979%0.794SS**PPolyproline II helixtrans-80155.1-178.832.2-35.8000113.6
258P45.1Very low37.4Very low124 Ų124137.3 Ų137.381%0.80580%0.8SS**PPolyproline II helixtrans-73.5147178.531-35.4000112.6
259R39.7Very low37Very low246 Ų246138.3 Ų138.393%0.92880%0.799SS**PPolyproline II helixtrans-82.4121.7176.4-65.5-175.9177.8-144.9-1111.2
260V37.4Very low37.1Very low130 Ų130140.4 Ų140.479%0.78880%0.801SS**PPolyproline II helixtrans-85.7128.1168.7178.50000109.3
261I39.9Very low37.3Very low157 Ų157138.6 Ų138.681%0.80579%0.789SS**  trans-97.3104.4169.7-60.1177.7000107.8
262Q34.6Very low37.6Very low143 Ų143142.5 Ų142.567%0.66879%0.792SS**  trans-98.8112.6177.1-176.9172.4-10.700109.9M264Q262-M264 HydrophobicContact CG-CE 4.05Å; Q262-M264 HydrophobicContact CG-SD 4.43Å
263L41.5Very low37.9Very low160 Ų160142.4 Ų142.484%0.83879%0.791SS**PPolyproline II helixtrans-76.5126.8172.8-67.2170.7000109.8
264M35.8Very low38.1Very low135 Ų135141.3 Ų141.367%0.66579%0.79SS**PPolyproline II helixtrans-97.8135.9175.2-63.6-63.6-177.700110.2Q262Q262-M264 HydrophobicContact CG-CE 4.05Å; Q262-M264 HydrophobicContact CG-SD 4.43Å
265P40.3Very low38.3Very low121 Ų121136.9 Ų136.979%0.78678%0.782SS**PPolyproline II helixtrans-71.6127.2173.7-16.230.8000111.8
266S36.6Very low38.9Very low120 Ų120138.9 Ų138.984%0.83979%0.787SS**  trans-85.4115.8176.7-60.90000111.7
267T40.8Very low38.4Very low133 Ų133139 Ų13982%0.81679%0.788SS**  trans-119.993.7172.152.30000111.5
268I37.8Very low37.9Very low156 Ų156145.6 Ų145.680%0.880%0.797SS**  trans-145.6134.1177.4-64.6-179000105.1
269L36Very low37.2Very low143 Ų143143.4 Ų143.475%0.74980%0.797SS**  cis-140.2155.514.5-169.870.7000110.8
270N37.4Very low36.7Very low160 Ų160135.9 Ų135.986%0.85680%0.796SS**  trans-133.3122.6160-119.8-0.1000108.5
271P44.5Very low36.4Very low95 Ų95133.7 Ų133.762%0.61780%0.8SS**  trans-98.3122.7-172.933.9-31.5000114.8
272L33.9Very low36Very low155 Ų155131.6 Ų131.681%0.81281%0.806SS**  trans60.3131.6143-47.4175.1000118.3
273L34.6Very low35.9Very low147 Ų147128.2 Ų128.277%0.7781%0.809SS**  -168.1150.269-87.6166.5000113.4
274L35.6Very low35.6Very low154 Ų154128.1 Ų128.181%0.80681%0.809SS**  trans54.199.4147.9-63167.8000121.1
275S32.8Very low35.4Very low110 Ų110128 Ų12877%0.76981%0.811SS**  trans-69.6161.6139.2-33.90000109.9
276P46.8Very low35Very low134 Ų134129.8 Ų129.887%0.8781%0.806SS**  -152.3164.271.140.1-21.2000117.3
277G30.3Very low35Very low75 Ų75132.9 Ų132.977%0.77380%0.8SS**  trans157.5116.2159.200000117.2
278R35.3Very low34.8Very low260 Ų260133.5 Ų133.598%0.98179%0.793SS**  trans1.1135.3157.2-60.8174.1167.8-156.6-4.1117.7
279G29.4Very low34.5Very low77 Ų77131 Ų13179%0.79479%0.789SS**  cis131.2126.121.900000111.8
280G29.8Very low34.4Very low88 Ų88135.8 Ų135.891%0.90780%0.797SS**  trans86.1158.1158.600000118.4
281G30.4Very low34.1Very low85 Ų85132.8 Ų132.888%0.87679%0.794SS**  trans116.7106.6168.600000114.9
282A32Very low33.4Very low113 Ų113131.5 Ų131.593%0.93480%0.799SS**  trans-88.8164166.800000111
283G31.7Very low34.1Very low71 Ų71130 Ų13073%0.73280%0.799SS**  trans144.898.8159.200000117.8
284L35Very low35.2Very low159 Ų159128.1 Ų128.183%0.83280%0.795SS**  29.3116.3128-56.4173000120.4
285D32.7Very low35.1Very low132 Ų132125.6 Ų125.671%0.70679%0.79SS**  72.3147.1122.5-77-59000125.9
286F31.9Very low35.2Very low159 Ų159129.1 Ų129.170%0.69779%0.794SS**  trans66.899.4148.6-93.4-113.7000123.3
287R35.4Very low34.7Very low184 Ų184128.2 Ų128.269%0.69479%0.786SS**  57.6140.6120.3-68.4-165.7-178.7-155.36.4123.1
288H36.6Very low35Very low147 Ų147131.4 Ų131.468%0.68179%0.791SS**  trans92.2107.1142.1-67.8157.3000121.9
289S32.1Very low35.1Very low102 Ų102127 Ų12771%0.71378%0.783SS**  85.2121.8112.9-60.80000123.5
290R34Very low35.4Very low245 Ų245131.5 Ų131.593%0.92578%0.784SS**  104.4147128.9-166.6171.3-74.6-165.5-1.7119.1
291A30.9Very low35.6Very low96 Ų96134 Ų13479%0.79378%0.776SS**  trans-56.7171.1-178.800000115.6
292G29.5Very low36.2Very low69 Ų69133.3 Ų133.371%0.71177%0.769SS**  cis-173.2-158.518.300000116.1
293P50.2Low37.2Very low124 Ų124139.8 Ų139.881%0.80577%0.769SS**  trans-113.4-154.5-167.247.5-37.8000111.3
294P56.6Low37.7Very low107 Ų107143.1 Ų143.170%0.69577%0.765SS**  cis-132.1-161-16.336.4-15.4000113.3
295S34.7Very low38.4Very low101 Ų101141.4 Ų141.471%0.70677%0.767SS**  trans77.1158.1151.9-64.30000118.4
296Q34Very low39.3Very low183 Ų183143.8 Ų143.886%0.85577%0.771SS**  cis-145.6176.6-2.6-136.6168.4-0.600113.2
297V36.9Very low40.2Very low116 Ų116139.5 Ų139.570%0.70376%0.758SS**  trans-88.8143-178-167.90000111.6M299V297-M299 HydrophobicContact CG1-CG 4.5Å
298V35.9Very low40.9Very low142 Ų142137.5 Ų137.586%0.86176%0.756SS**  trans-131.4136.9153.7178.50000108.1
299M38Very low41.8Very low167 Ų167135.5 Ų135.582%0.82375%0.754SS**  trans-109146.2171.7-71-180166.800109.6V297V297-M299 HydrophobicContact CG1-CG 4.5Å
300E34.4Very low42.8Very low172 Ų172138.1 Ų138.180%0.80476%0.755SS**  trans-148134138.4-128.3-155.697.400114
301N34.6Very low43.9Very low140 Ų140133.2 Ų133.275%0.74974%0.742SS**  trans28107.4148.6-65.1-32.6000121.6
302G43.7Very low45.3Very low70 Ų70134.9 Ų134.972%0.72273%0.733SS**  117.9136.9105.100000119
303R51.5Low46.9Very low249 Ų249137.5 Ų137.594%0.9473%0.727SS**  trans72.198.6173.8-50.2167.7179157.5-0.2116.1
304E42.2Very low47.7Very low141 Ų141137.3 Ų137.366%0.65971%0.714SS**  trans-166.447.8149-117.3174.9-171.400115.9K306 V307E304-K306 PolarHBondContact O-N 2.82Å; E304-V307 HydrophobicContact CG-CG2 3.89Å
305S50.4Low48.4Very low124 Ų124136.4 Ų136.487%0.86770%0.701SS**THydrogen-bonded Turntrans-70.526.6-178.1-46.30000115.8
306K51.4Low50.3Low181 Ų181136.7 Ų136.779%0.78769%0.691SS**THydrogen-bonded Turntrans-134.2-22.7179.8-148.8171.5-174.3179.20114.7E304E304-K306 PolarHBondContact O-N 2.82Å
307V51.4Low52.3Low70 Ų70133.5 Ų133.542%0.42468%0.676SS.*Hα-helixtrans-70.7-38.5173.7179.60000111E304 V309 H310 H311E304-V307 HydrophobicContact CG-CG2 3.89Å; V307-V309 VanDerWaalsContact C-N 3.29Å; V307-V309 PolarHBondContact O-N 3.15Å; V307-H310 PolarHBondContact O-N 2.93Å; V307-H311 PolarHBondContact O-N 2.88Å; V307-H311 VanDerWaalsContact O-N 3.11Å
308H50.9Low54.2Low141 Ų141132.6 Ų132.665%0.65366%0.664SS**Hα-helixtrans-55.3-36.5-176.7-81.683.8000114.3H311 H312H308-H311 PolarHBondContact O-N 3.14Å; H308-H312 VanDerWaalsContact O-CB 3.29Å; H308-H312 WeakPolarHBondContact O-CB 3.5Å; H308-H312 PolarHBondContact O-N 2.75Å
309V53.6Low56Low106 Ų106131 Ų13164%0.64265%0.647SS**Hα-helixtrans-69.2-43.2-178.3-177.30000111.6V307 H312 H313V307-V309 VanDerWaalsContact C-N 3.29Å; V307-V309 PolarHBondContact O-N 3.15Å; V309-H312 PolarHBondContact O-N 3.12Å; V309-H313 WeakPolarHBondContact O-CB 3.22Å; V309-H313 PolarHBondContact O-N 2.83Å
310H54.6Low57.9Low156 Ų156130 Ų13072%0.72264%0.641SS**Hα-helixtrans-65.9-41.1175.3-95.488.1000111.7V307 H312 H313 H314V307-H310 PolarHBondContact O-N 2.93Å; H310-H312 VanDerWaalsContact C-N 3.34Å; H310-H312 PolarHBondContact O-N 3.24Å; H310-H313 PolarHBondContact O-N 3.48Å; H310-H314 WeakPolarHBondContact O-CB 3.22Å; H310-H314 PolarHBondContact O-N 2.99Å
311H57.4Low60.1Low142 Ų142128.6 Ų128.666%0.65763%0.634SS**Hα-helixtrans-65.2-39.3177.6-138.291.5000111.8V307 H308 H315V307-H311 PolarHBondContact O-N 2.88Å; V307-H311 VanDerWaalsContact O-N 3.11Å; H308-H311 PolarHBondContact O-N 3.14Å; H311-H315 WeakPolarHBondContact O-CB 3.4Å; H311-H315 PolarHBondContact O-N 3.49Å
312H58.6Low62.2Low132 Ų132126.4 Ų126.461%0.61162%0.622SS**Hα-helixtrans-67.1-42175.8-158.278.2000112H308 V309 H310 H315 Q316H308-H312 VanDerWaalsContact O-CB 3.29Å; H308-H312 WeakPolarHBondContact O-CB 3.5Å; H308-H312 PolarHBondContact O-N 2.75Å; V309-H312 PolarHBondContact O-N 3.12Å; H310-H312 VanDerWaalsContact C-N 3.34Å; H310-H312 PolarHBondContact O-N 3.24Å; H312-H315 PolarHBondContact O-N 2.97Å; H312-Q316 VanDerWaalsContact O-CB 3.27Å; H312-Q316 WeakPolarHBondContact O-CB 3.35Å; H312-Q316 PolarHBondContact O-N 3.3Å
313H64.3Low63.8Low124 Ų124125.8 Ų125.857%0.57461%0.61SS**Hα-helixtrans-67-43.2178.1-16165.4000112.2V309 H310 H315 Q316 Q317V309-H313 WeakPolarHBondContact O-CB 3.22Å; V309-H313 PolarHBondContact O-N 2.83Å; H310-H313 PolarHBondContact O-N 3.48Å; H313-H315 PolarHBondContact O-N 3.11Å; H313-Q316 PolarHBondContact O-N 3.36Å; H313-Q317 WeakPolarHBondContact O-CB 3.13Å; H313-Q317 PolarHBondContact O-N 3.15Å
314H67.5Low65.1Low119 Ų119120.4 Ų120.455%0.55160%0.595SS**Hα-helixtrans-64-40174.4-172.1-77.9000111.9H310 Q317 Q318H310-H314 WeakPolarHBondContact O-CB 3.22Å; H310-H314 PolarHBondContact O-N 2.99Å; H314-Q317 PolarHBondContact O-N 2.79Å; H314-Q318 VanDerWaalsContact O-CB 3.31Å; H314-Q318 WeakPolarHBondContact O-CB 3.33Å; H314-Q318 PolarHBondContact O-N 3Å
315H71.1Confident66.7Low88 Ų88120 Ų12041%0.40759%0.594SS.*Hα-helixtrans-67.5-38.7175.9-17065.5000112.2H311 H312 H313 Q318 Q319H311-H315 WeakPolarHBondContact O-CB 3.4Å; H311-H315 PolarHBondContact O-N 3.49Å; H312-H315 PolarHBondContact O-N 2.97Å; H313-H315 PolarHBondContact O-N 3.11Å; H315-Q318 PolarHBondContact O-N 2.92Å; H315-Q319 PolarHBondContact CD2-NE2 3.38Å; H315-Q319 VanDerWaalsContact CD2-NE2 3.26Å; H315-Q319 PolarHBondContact NE2-NE2 3.31Å; H315-Q319 WeakPolarHBondContact O-CG 3.33Å; H315-Q319 PolarHBondContact O-N 3.28Å
316Q74.1Confident68.1Low108 Ų108120.8 Ų120.851%0.50558%0.584SS.*Hα-helixtrans-65-42.3174.4-171.9172.632.500111.7H312 H313 Q319 Q320H312-Q316 VanDerWaalsContact O-CB 3.27Å; H312-Q316 WeakPolarHBondContact O-CB 3.35Å; H312-Q316 PolarHBondContact O-N 3.3Å; H313-Q316 PolarHBondContact O-N 3.36Å; Q316-Q319 PolarHBondContact O-N 2.95Å; Q316-Q320 WeakPolarHBondContact O-CB 3.49Å; Q316-Q320 PolarHBondContact O-N 3.44Å
317Q76.2Confident69.5Low116 Ų116117.5 Ų117.554%0.54257%0.574SS.*Hα-helixtrans-64.2-40.8174.6-167.9173.73000111.7H313 H314 Q320 Q321H313-Q317 WeakPolarHBondContact O-CB 3.13Å; H313-Q317 PolarHBondContact O-N 3.15Å; H314-Q317 PolarHBondContact O-N 2.79Å; Q317-Q320 PolarHBondContact O-N 3.46Å; Q317-Q321 WeakPolarHBondContact O-CB 3.22Å; Q317-Q321 PolarHBondContact O-N 2.82Å
318Q76.1Confident70.8Confident96 Ų96119 Ų11945%0.44958%0.579SS.*Hα-helixtrans-64.8-42.8174.8-176.2173.369.300112.4H314 H315 Q320 Q321 L322H314-Q318 VanDerWaalsContact O-CB 3.31Å; H314-Q318 WeakPolarHBondContact O-CB 3.33Å; H314-Q318 PolarHBondContact O-N 3Å; H315-Q318 PolarHBondContact O-N 2.92Å; Q318-Q320 VanDerWaalsContact C-N 3.34Å; Q318-Q320 PolarHBondContact O-N 2.88Å; Q318-Q321 PolarHBondContact O-N 3.07Å; Q318-L322 HydrophobicContact CG-CD1 4.34Å; Q318-L322 WeakPolarHBondContact O-CG 3.26Å; Q318-L322 PolarHBondContact O-N 3.04Å
319Q74.6Confident71.9Confident109 Ų109118.3 Ų118.351%0.50958%0.576SS.*Hα-helixtrans-61-41.8172.9-74.3-17522.900111.8H315 Q316 Q321 L322 A323H315-Q319 PolarHBondContact CD2-NE2 3.38Å; H315-Q319 VanDerWaalsContact CD2-NE2 3.26Å; H315-Q319 PolarHBondContact NE2-NE2 3.31Å; H315-Q319 WeakPolarHBondContact O-CG 3.33Å; H315-Q319 PolarHBondContact O-N 3.28Å; Q316-Q319 PolarHBondContact O-N 2.95Å; Q319-Q321 VanDerWaalsContact C-N 3.35Å; Q319-Q321 PolarHBondContact O-N 2.79Å; Q319-L322 PolarHBondContact O-N 3.23Å; Q319-A323 WeakPolarHBondContact O-CB 3.47Å; Q319-A323 PolarHBondContact O-N 2.79Å
320Q78.2Confident72.9Confident146 Ų146119.8 Ų119.868%0.68258%0.576SS**Hα-helixtrans-66.6-36.1179-169.2166.568.700112.3Q316 Q317 Q318 Q324Q316-Q320 WeakPolarHBondContact O-CB 3.49Å; Q316-Q320 PolarHBondContact O-N 3.44Å; Q317-Q320 PolarHBondContact O-N 3.46Å; Q318-Q320 VanDerWaalsContact C-N 3.34Å; Q318-Q320 PolarHBondContact O-N 2.88Å; Q320-Q324 PolarHBondContact O-N 2.97Å
321Q79.9Confident73.8Confident142 Ų142117.8 Ų117.866%0.66457%0.567SS**Hα-helixtrans-69.8-39.6174.8-166.8169.376.600112.2Q317 Q318 Q319 Q324 Q325Q317-Q321 WeakPolarHBondContact O-CB 3.22Å; Q317-Q321 PolarHBondContact O-N 2.82Å; Q318-Q321 PolarHBondContact O-N 3.07Å; Q319-Q321 VanDerWaalsContact C-N 3.35Å; Q319-Q321 PolarHBondContact O-N 2.79Å; Q321-Q324 PolarHBondContact O-N 3.1Å; Q321-Q325 PolarHBondContact O-N 3.1Å
322L79.1Confident74.2Confident95 Ų95117.6 Ų117.650%0.49757%0.566SS.*Hα-helixtrans-64.9-40.1172.7-72.6168.1000112.4Q318 Q319 Q324 Q325 Q326Q318-L322 HydrophobicContact CG-CD1 4.34Å; Q318-L322 WeakPolarHBondContact O-CG 3.26Å; Q318-L322 PolarHBondContact O-N 3.04Å; Q319-L322 PolarHBondContact O-N 3.23Å; L322-Q324 VanDerWaalsContact C-N 3.35Å; L322-Q325 PolarHBondContact O-N 3.33Å; L322-Q326 PolarHBondContact O-N 2.81Å
323A76.9Confident74.4Confident57 Ų57117.6 Ų117.647%0.47157%0.567SS.*Hα-helixtrans-63.9-39.2175.400000112.1Q319 Q326 L327Q319-A323 WeakPolarHBondContact O-CB 3.47Å; Q319-A323 PolarHBondContact O-N 2.79Å; A323-Q326 PolarHBondContact O-N 2.72Å; A323-L327 PolarHBondContact O-N 3.49Å
324Q78.8Confident74.2Confident135 Ų135113.7 Ų113.763%0.63156%0.556SS**Hα-helixtrans-67-37.9174.6-171.9169.693.200112.1Q320 Q321 L322 L327 L328Q320-Q324 PolarHBondContact O-N 2.97Å; Q321-Q324 PolarHBondContact O-N 3.1Å; L322-Q324 VanDerWaalsContact C-N 3.35Å; Q324-L327 PolarHBondContact O-N 2.81Å; Q324-L328 PolarHBondContact O-N 3.34Å
325Q76.4Confident73.9Confident133 Ų133113.5 Ų113.562%0.62156%0.558SS**Hα-helixtrans-65.7-40.6173.8-172.4173.390.700112.1Q321 L322 L327 L328 Q329Q321-Q325 PolarHBondContact O-N 3.1Å; L322-Q325 PolarHBondContact O-N 3.33Å; Q325-L327 VanDerWaalsContact C-N 3.34Å; Q325-L327 PolarHBondContact O-N 3.38Å; Q325-L328 PolarHBondContact O-N 2.94Å; Q325-Q329 WeakPolarHBondContact O-CB 3.46Å; Q325-Q329 PolarHBondContact O-N 3.09Å
326Q79Confident73.1Confident141 Ų141117.5 Ų117.566%0.65957%0.571SS**Hα-helixtrans-63.3-37.7172.2-77.7-172.7-1.800112.6L322 A323 Q329 Q330L322-Q326 PolarHBondContact O-N 2.81Å; A323-Q326 PolarHBondContact O-N 2.72Å; Q326-Q329 PolarHBondContact O-N 2.91Å; Q326-Q330 VanDerWaalsContact O-CB 3.24Å; Q326-Q330 WeakPolarHBondContact O-CB 3.43Å; Q326-Q330 PolarHBondContact O-N 3.21Å
327L81.7Confident72.1Confident111 Ų111120.9 Ų120.958%0.58158%0.579SS**Hα-helixtrans-68.8-37.7177.7-171.7145.2000112.1A323 Q324 Q325 Q331A323-L327 PolarHBondContact O-N 3.49Å; Q324-L327 PolarHBondContact O-N 2.81Å; Q325-L327 VanDerWaalsContact C-N 3.34Å; Q325-L327 PolarHBondContact O-N 3.38Å; L327-Q331 WeakPolarHBondContact O-CB 3.35Å; L327-Q331 PolarHBondContact O-N 2.94Å
328L77.6Confident71Confident102 Ų102121 Ų12153%0.53458%0.583SS.*Hα-helixtrans-65.1-46171.1-74.5168.8000111.5Q324 Q325 Q330 Q331 E332Q324-L328 PolarHBondContact O-N 3.34Å; Q325-L328 PolarHBondContact O-N 2.94Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.19Å; L328-Q331 CarbonylContact O-C 3.52Å; L328-Q331 WeakPolarHBondContact O-CB 3.09Å; L328-Q331 PolarHBondContact O-N 3.43Å; L328-Q331 VanDerWaalsContact O-N 3.12Å; L328-E332 PolarHBondContact O-N 3.08Å
329Q74.7Confident69.8Low127 Ų127124.4 Ų124.459%0.59360%0.599SS**Hα-helixtrans-64.5-35.6177.4-175.5163.176.500112.3Q325 Q326 E332 E333Q325-Q329 WeakPolarHBondContact O-CB 3.46Å; Q325-Q329 PolarHBondContact O-N 3.09Å; Q326-Q329 PolarHBondContact O-N 2.91Å; Q329-E332 PolarHBondContact O-N 3.28Å; Q329-E333 VanDerWaalsContact O-CB 3.28Å; Q329-E333 WeakPolarHBondContact O-CB 3.34Å; Q329-E333 PolarHBondContact O-N 2.98Å
330Q74.1Confident68.7Low137 Ų137124.2 Ų124.264%0.6461%0.605SS**Hα-helixtrans-74.2-26.6173.5-172.9165.6103.500112.5Q326 L328 A334Q326-Q330 VanDerWaalsContact O-CB 3.24Å; Q326-Q330 WeakPolarHBondContact O-CB 3.43Å; Q326-Q330 PolarHBondContact O-N 3.21Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3.19Å; Q330-A334 WeakPolarHBondContact O-CB 3.12Å; Q330-A334 PolarHBondContact O-N 2.94Å
331Q73.6Confident67.5Low113 Ų113122 Ų12253%0.52860%0.597SS.*Hα-helixtrans-73.2-38.6169.9-173.9172108.700111.4L327 L328 A334 L335L327-Q331 WeakPolarHBondContact O-CB 3.35Å; L327-Q331 PolarHBondContact O-N 2.94Å; L328-Q331 CarbonylContact O-C 3.52Å; L328-Q331 WeakPolarHBondContact O-CB 3.09Å; L328-Q331 PolarHBondContact O-N 3.43Å; L328-Q331 VanDerWaalsContact O-N 3.12Å; Q331-A334 PolarHBondContact O-N 3.46Å; Q331-L335 WeakPolarHBondContact O-CB 3.37Å; Q331-L335 VanDerWaalsContact O-CG 3.31Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 3Å
332E66.9Low65.5Low138 Ų138121.3 Ų121.365%0.64560%0.595SS**Hα-helixtrans-65.7-45172-170.9175.799.200111.1L328 Q329 A334 L335 Y336L328-E332 PolarHBondContact O-N 3.08Å; Q329-E332 PolarHBondContact O-N 3.28Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 3.26Å; E332-L335 PolarHBondContact O-N 2.97Å; E332-Y336 WeakPolarHBondContact O-CB 3.46Å; E332-Y336 PolarHBondContact O-N 3.46Å
333E61Low63.7Low133 Ų133121.6 Ų121.662%0.62160%0.603SS**Hα-helixtrans-64.3-35.8173.2-169.2-174.9-177.200111.6Q329 Y336 R337Q329-E333 VanDerWaalsContact O-CB 3.28Å; Q329-E333 WeakPolarHBondContact O-CB 3.34Å; Q329-E333 PolarHBondContact O-N 2.98Å; E333-Y336 PolarHBondContact O-N 2.93Å; E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 PolarHBondContact O-N 2.89Å
334A60.4Low61.9Low41 Ų41124.6 Ų124.634%0.33962%0.615SS.*Hα-helixtrans-68.1-40.4172.500000112Q330 Q331 E332 R337 N338Q330-A334 WeakPolarHBondContact O-CB 3.12Å; Q330-A334 PolarHBondContact O-N 2.94Å; Q331-A334 PolarHBondContact O-N 3.46Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 3.26Å; A334-R337 PolarHBondContact O-N 3.27Å; A334-N338 WeakPolarHBondContact O-CB 3.03Å; A334-N338 PolarHBondContact O-N 3.2Å; A334-N338 PolarHBondContact O-ND2 3Å
335L62.2Low60.1Low115 Ų115122.4 Ų122.460%0.60262%0.615SS**Hα-helixtrans-63-47172.6-76.5166.7000110.3Q331 E332 R337 N338 H339Q331-L335 WeakPolarHBondContact O-CB 3.37Å; Q331-L335 VanDerWaalsContact O-CG 3.31Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 3Å; E332-L335 PolarHBondContact O-N 2.97Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.95Å; L335-N338 CarbonylContact O-C 3.36Å; L335-N338 PolarHBondContact O-N 3.38Å; L335-N338 VanDerWaalsContact O-N 3.14Å; L335-H339 WeakPolarHBondContact O-CB 3.25Å; L335-H339 PolarHBondContact O-N 3.35Å
336Y52.8Low58.5Low172 Ų172121.4 Ų121.468%0.67562%0.62SS**Hα-helixtrans-60.4-41.3175.9-149.4-94.1000111.5E332 E333 N338 H339 V340E332-Y336 WeakPolarHBondContact O-CB 3.46Å; E332-Y336 PolarHBondContact O-N 3.46Å; E333-Y336 PolarHBondContact O-N 2.93Å; Y336-N338 PolarHBondContact O-N 3.04Å; Y336-H339 PolarHBondContact O-N 2.86Å; Y336-V340 HydrophobicContact CD1-CG2 3.68Å; Y336-V340 HydrophobicContact CE1-CG2 3.61Å; Y336-V340 HydrophobicContact CG-CG2 4.49Å; Y336-V340 VanDerWaalsContact O-CB 3.28Å; Y336-V340 WeakPolarHBondContact O-CB 3.28Å; Y336-V340 VanDerWaalsContact O-CG2 3.3Å; Y336-V340 WeakPolarHBondContact O-CG2 3.41Å; Y336-V340 PolarHBondContact O-N 2.85Å
337R55Low56.7Low179 Ų179119.6 Ų119.668%0.67562%0.62SS**Hα-helixtrans-65.1-35.9174.9-174.7176.4179.5-172.6-0.4112.6E333 A334 L335 I341E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 PolarHBondContact O-N 2.89Å; A334-R337 PolarHBondContact O-N 3.27Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.95Å; R337-I341 HydrophobicContact CG-CD1 3.95Å; R337-I341 WeakPolarHBondContact O-CA 3.31Å; R337-I341 WeakPolarHBondContact O-CB 3.3Å; R337-I341 VanDerWaalsContact O-CG1 3.27Å; R337-I341 WeakPolarHBondContact O-CG1 3.44Å; R337-I341 PolarHBondContact O-N 3.01Å
338N52.8Low54.8Low118 Ų118123 Ų12363%0.63163%0.633SS**Hα-helixtrans-79.3-22.4174-75.2-77.2000113.1A334 L335 Y336 I341 M342A334-N338 WeakPolarHBondContact O-CB 3.03Å; A334-N338 PolarHBondContact O-N 3.2Å; A334-N338 PolarHBondContact O-ND2 3Å; L335-N338 CarbonylContact O-C 3.36Å; L335-N338 PolarHBondContact O-N 3.38Å; L335-N338 VanDerWaalsContact O-N 3.14Å; Y336-N338 PolarHBondContact O-N 3.04Å; N338-I341 CarbonylContact O-C 3.5Å; N338-M342 PolarHBondContact O-N 2.84Å
339H50.6Low52.9Low169 Ų169123.7 Ų123.778%0.78263%0.633SS**Hα-helixtrans-87.2-32177.3-139.585.5000112.5L335 Y336L335-H339 WeakPolarHBondContact O-CB 3.25Å; L335-H339 PolarHBondContact O-N 3.35Å; Y336-H339 PolarHBondContact O-N 2.86Å
340V52.2Low51.1Low104 Ų104126.3 Ų126.363%0.6365%0.645SS**Hα-helixtrans-83.6-30171.6175.10000111.4Y336Y336-V340 HydrophobicContact CD1-CG2 3.68Å; Y336-V340 HydrophobicContact CE1-CG2 3.61Å; Y336-V340 HydrophobicContact CG-CG2 4.49Å; Y336-V340 VanDerWaalsContact O-CB 3.28Å; Y336-V340 WeakPolarHBondContact O-CB 3.28Å; Y336-V340 VanDerWaalsContact O-CG2 3.3Å; Y336-V340 WeakPolarHBondContact O-CG2 3.41Å; Y336-V340 PolarHBondContact O-N 2.85Å
341I52.5Low49.4Very low99 Ų99126 Ų12651%0.50864%0.644SS.*  trans-107.569.1168.2-43.4174000109R337 N338R337-I341 HydrophobicContact CG-CD1 3.95Å; R337-I341 WeakPolarHBondContact O-CA 3.31Å; R337-I341 WeakPolarHBondContact O-CB 3.3Å; R337-I341 VanDerWaalsContact O-CG1 3.27Å; R337-I341 WeakPolarHBondContact O-CG1 3.44Å; R337-I341 PolarHBondContact O-N 3.01Å; N338-I341 CarbonylContact O-C 3.5Å
342M37.1Very low47.9Very low129 Ų129125.5 Ų125.564%0.63564%0.643SS**  trans-51.9135.3138.9-79.9-115.761.100107.5N338 V344N338-M342 PolarHBondContact O-N 2.84Å; M342-V344 VanDerWaalsContact C-N 3.32Å; M342-V344 PolarHBondContact O-N 3.34Å
343P42Very low47.2Very low101 Ų101123 Ų12366%0.65664%0.639SS**  trans-58.5108.1152.927-31.5000106.1S345P343-S345 PolarHBondContact O-N 3.32Å
344V39.7Very low47.1Very low120 Ų120122.2 Ų122.273%0.72764%0.637SS**  trans-57.1109.4162.8168.70000105.1M342M342-V344 VanDerWaalsContact C-N 3.32Å; M342-V344 PolarHBondContact O-N 3.34Å
345S40.2Very low47.1Very low89 Ų89120.2 Ų120.262%0.62262%0.621SS**  trans-44.1127.8166.5-60.70000107P343P343-S345 PolarHBondContact O-N 3.32Å
346P41.6Very low47.5Very low112 Ų112119.1 Ų119.173%0.72761%0.609SS**PPolyproline II helixtrans-51.8121.1-171.822.1-33.5000107.8E348P346-E348 PolarHBondContact O-N 2.98Å
347P41.4Very low48.7Very low102 Ų102111.8 Ų111.866%0.66258%0.581SS**PPolyproline II helixtrans-53.6116.8-158.715.9-30.6000110E349P347-E349 PolarHBondContact O-N 2.98Å
348E43.3Very low49.2Very low183 Ų183105.9 Ų105.986%0.85557%0.571SS**SBendtrans-59.8127.5-175.3-73.1179.199.800108.9P346P346-E348 PolarHBondContact O-N 2.98Å
349E37.6Very low49.8Very low117 Ų117105.4 Ų105.455%0.54757%0.569SS.*  trans56.4115.9-164.1-55.6-166.7121.900114.6P347 Q351 R375P347-E349 PolarHBondContact O-N 2.98Å; E349-Q351 HydrophobicContact CB-CG 3.49Å; E349-Q351 VanDerWaalsContact CB-CG 3.49Å; E349-Q351 HydrophobicContact CG-CG 4.42Å; E349-Q351 PolarHBondContact O-N 2.93Å; E349-Q351 WeakPolarHBondContact OE2-CG 3.39Å; E349-Q351 PolarHBondContact OE2-NE2 3.21Å; E349-R375 IonicContact OE1-NH1 3.82Å; E349-R375 PolarHBondContact OE1-NH1 3.16Å; E349-R375 IonicContact OE2-NH1 2.84Å; E349-R375 PolarHBondContact OE2-NH1 3.3Å; E349-R375 VanDerWaalsContact OE2-NH1 3.12Å
350Q36Very low51Low181 Ų18197.7 Ų97.785%0.84653%0.534SS*.  trans-67.277.2144.6-63.3-169.7-81.600107.7M352Q350-M352 PolarHBondContact O-N 2.81Å
351Q38Very low52.3Low130 Ų13098.4 Ų98.461%0.60753%0.525SS*.  trans-57108.5177.9-68.1-166.8-22.200108.4E349E349-Q351 HydrophobicContact CB-CG 3.49Å; E349-Q351 VanDerWaalsContact CB-CG 3.49Å; E349-Q351 HydrophobicContact CG-CG 4.42Å; E349-Q351 PolarHBondContact O-N 2.93Å; E349-Q351 WeakPolarHBondContact OE2-CG 3.39Å; E349-Q351 PolarHBondContact OE2-NE2 3.21Å
352M42.5Very low54.1Low103 Ų10394 Ų9451%0.50750%0.502SS..  trans-60136.2178.4-67.7-160.7-69.800108.4Q350 I354 R356 A358Q350-M352 PolarHBondContact O-N 2.81Å; M352-I354 PolarHBondContact O-N 3.16Å; M352-I354 VanDerWaalsContact O-N 3.16Å; M352-R356 WeakPolarHBondContact CB-O 3.3Å; M352-A358 HydrophobicContact CE-CB 4.17Å; M352-A358 HydrophobicContact SD-CB 4.27Å
353P51.8Low56.8Low85 Ų8587.8 Ų87.855%0.55247%0.472SS*.  trans-57.2125.1-169.321.3-32.8000110G355 R356P353-G355 PolarHBondContact O-N 2.84Å; P353-R356 HydrophobicContact CG-CB 4.2Å; P353-R356 HydrophobicContact CG-CG 4.24Å; P353-R356 WeakPolarHBondContact O-CB 3.38Å; P353-R356 PolarHBondContact O-N 2.97Å
354I59.2Low59.2Low117 Ų11783.2 Ų83.260%0.644%0.441SS*.THydrogen-bonded Turntrans-40.2121.1-163.2-64.3170.9000112.2M352 Y376 L401 N404M352-I354 PolarHBondContact O-N 3.16Å; M352-I354 VanDerWaalsContact O-N 3.16Å; I354-Y376 HydrophobicContact CG2-CE1 3.96Å; I354-L401 HydrophobicContact CG2-CD2 3.85Å; I354-N404 PolarHBondContact O-ND2 3.36Å
355G59.9Low61.7Low0 Ų079.5 Ų79.50%042%0.417CS..THydrogen-bonded Turntrans86.8-1.5-175.800000116.2P353 Y366 Y376 H405P353-G355 PolarHBondContact O-N 2.84Å; G355-Y366 WeakPolarHBondContact CA-OH 3.41Å; G355-Y366 VanDerWaalsContact O-CE2 3.22Å; G355-Y366 WeakPolarHBondContact O-CE2 3.18Å; G355-Y366 PolarHBondContact O-OH 3.46Å; G355-Y376 PolarHBondContact N-OH 2.68Å; G355-H405 WeakPolarHBondContact O-CB 3.43Å
356R70.6Confident64.2Low91 Ų9175.2 Ų75.234%0.34339%0.388SS..  trans-94.6119166.9-65.3-156.5177.5-158.3-4.5110.6M352 P353 N404 N407M352-R356 WeakPolarHBondContact CB-O 3.3Å; P353-R356 HydrophobicContact CG-CB 4.2Å; P353-R356 HydrophobicContact CG-CG 4.24Å; P353-R356 WeakPolarHBondContact O-CB 3.38Å; P353-R356 PolarHBondContact O-N 2.97Å; R356-N404 PolarHBondContact NE-O 3.44Å; R356-N404 PolarHBondContact NE-OD1 2.79Å; R356-N404 PolarHBondContact NH2-O 2.86Å; R356-N404 VanDerWaalsContact NH2-O 3.11Å; R356-N407 PolarHBondContact NH2-OD1 3.37Å
357I78.4Confident66.8Low18 Ų1870 Ų709%0.09235%0.353CS..  trans-115.6139.2179.9-65.9172.3000107.5C360 Y366 Q369 L370 H405I357-C360 VanDerWaalsContact CB-SG 3.5Å; I357-C360 HydrophobicContact CG2-CB 4.26Å; I357-C360 WeakPolarHBondContact CG2-SG 3.27Å; I357-Y366 HydrophobicContact CB-CD2 4.46Å; I357-Y366 HydrophobicContact CB-CE2 4.44Å; I357-Y366 HydrophobicContact CD1-CD2 4.02Å; I357-Y366 HydrophobicContact CD1-CE2 3.91Å; I357-Y366 HydrophobicContact CG1-CE2 4.24Å; I357-Q369 HydrophobicContact CD1-CB 4.15Å; I357-Q369 HydrophobicContact CD1-CG 4.18Å; I357-Q369 HydrophobicContact CG2-CB 4.35Å; I357-Q369 HydrophobicContact CG2-CG 3.94Å; I357-L370 HydrophobicContact CD1-CD2 3.82Å; I357-L370 HydrophobicContact CD1-CG 4.07Å; I357-H405 PolarHBondContact O-CE1 3.44Å
358A64.9Low69.2Low56 Ų5667.9 Ų67.946%0.46333%0.333SS..SBendtrans-74.4146.7-176.800000111.5M352 C360M352-A358 HydrophobicContact CE-CB 4.17Å; M352-A358 HydrophobicContact SD-CB 4.27Å; A358-C360 PolarHBondContact O-N 3.13Å
359D65.5Low71.5Confident108 Ų10863.4 Ų63.458%0.57831%0.312SS*.SBendtrans57.2-16.4175.7-69.5-54.7000118.6
360C75.7Confident74.2Confident7 Ų757.9 Ų57.95%0.04729%0.286CS..  trans-69.8130.9177.767.80000112.3I357 A358 D365 H405I357-C360 VanDerWaalsContact CB-SG 3.5Å; I357-C360 HydrophobicContact CG2-CB 4.26Å; I357-C360 WeakPolarHBondContact CG2-SG 3.27Å; A358-C360 PolarHBondContact O-N 3.13Å; C360-D365 WeakPolarHBondContact CA-OD2 3.35Å; C360-D365 WeakPolarHBondContact CB-OD2 3.4Å; C360-H405 PolarHBondContact O-NE2 2.87Å; C360-H405 VanDerWaalsContact SG-CE1 3.58Å; C360-H405 PolarHBondContact SG-NE2 3.08Å
361R79.8Confident76.9Confident119 Ų11949.9 Ų49.945%0.44925%0.249SC..  trans-116-29.1-168.5-76176.6158.7-159.1-17.2115.2D365 E457R361-D365 PolarHBondContact N-OD2 2.64Å; R361-E457 WeakPolarHBondContact CD-OE1 3.47Å; R361-E457 IonicContact CZ-OE1 3.96Å; R361-E457 IonicContact CZ-OE2 2.63Å; R361-E457 IonicContact NE-OE1 3.18Å; R361-E457 IonicContact NH1-OE1 3.93Å; R361-E457 PolarHBondContact NH1-OE1 2.92Å; R361-E457 IonicContact NH1-OE2 3.94Å; R361-E457 PolarHBondContact NH1-OE2 2.81Å
362L90.8Very high79.4Confident5 Ų547.7 Ų47.73%0.02625%0.248CC..SBendtrans-114152.7-169.6-64.1168.3000109.8W364 D365 Y366 W402 L456 E457 D460L362-W364 VanDerWaalsContact C-N 3.3Å; L362-W364 VanDerWaalsContact CD1-NE1 3.28Å; L362-W364 PolarHBondContact O-N 2.83Å; L362-D365 HydrophobicContact CB-CB 4.44Å; L362-D365 PolarHBondContact O-N 3.08Å; L362-Y366 PolarHBondContact O-N 3.26Å; L362-Y366 VanDerWaalsContact O-N 3.1Å; L362-W402 VanDerWaalsContact C-CH2 3.47Å; L362-L456 HydrophobicContact CD1-CB 3.67Å; L362-L456 HydrophobicContact CD1-CD2 4.06Å; L362-L456 HydrophobicContact CD2-CB 4.04Å; L362-E457 HydrophobicContact CD1-CG 4.42Å; L362-E457 HydrophobicContact CD2-CG 4.26Å; L362-E457 HydrophobicContact CG-CG 4.5Å; L362-D460 HydrophobicContact CD2-CB 3.95Å; L362-D460 VanDerWaalsContact CD2-OD2 3.3Å; L362-D460 WeakPolarHBondContact CD2-OD2 3.42Å
363L93.1Very high81.6Confident0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-63.5-35.1-176.4175.568.1000112.6D365 V367 W402 M416 A419 L420 Y423 D460L363-D365 VanDerWaalsContact C-N 3.31Å; L363-D365 PolarHBondContact O-N 2.96Å; L363-V367 HydrophobicContact CD1-CG2 3.98Å; L363-V367 HydrophobicContact CG-CG2 4.24Å; L363-V367 VanDerWaalsContact O-CB 3.25Å; L363-V367 WeakPolarHBondContact O-CB 3.35Å; L363-V367 VanDerWaalsContact O-CG2 3.25Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 3.32Å; L363-W402 HydrophobicContact CB-CH2 4.2Å; L363-W402 HydrophobicContact CB-CZ2 3.84Å; L363-W402 HydrophobicContact CD1-CB 4.4Å; L363-W402 HydrophobicContact CD1-CD2 3.74Å; L363-W402 HydrophobicContact CD1-CE3 4.21Å; L363-W402 HydrophobicContact CD1-CG 3.83Å; L363-M416 HydrophobicContact CD1-CG 3.71Å; L363-M416 HydrophobicContact CD1-SD 3.84Å; L363-M416 HydrophobicContact CD2-CG 3.5Å; L363-M416 VanDerWaalsContact CD2-O 3.3Å; L363-M416 WeakPolarHBondContact CD2-O 3.48Å; L363-M416 HydrophobicContact CG-CG 4.27Å; L363-A419 HydrophobicContact CB-CB 4.27Å; L363-A419 HydrophobicContact CD2-CB 3.84Å; L363-L420 HydrophobicContact CD2-CD2 3.72Å; L363-L420 HydrophobicContact CD2-CG 3.8Å; L363-L420 HydrophobicContact CG-CD2 4.32Å; L363-Y423 HydrophobicContact CB-CE2 3.97Å; L363-Y423 WeakPolarHBondContact CB-OH 3.46Å; L363-Y423 HydrophobicContact CD2-CE2 4.46Å; L363-Y423 HydrophobicContact CG-CE2 4.41Å; L363-Y423 PolarHBondContact N-OH 2.98Å; L363-Y423 VanDerWaalsContact N-OH 3.1Å; L363-D460 PolarHBondContact N-OD2 2.75Å
364W93Very high83.3Confident5 Ų544.8 Ų44.82%0.01924%0.237CC..Hα-helixtrans-63.3-39.2-179.870.7-94.6000112.3L362 Y368 Y423 I428 I429 F441 P445 I448 M449L362-W364 VanDerWaalsContact C-N 3.3Å; L362-W364 VanDerWaalsContact CD1-NE1 3.28Å; L362-W364 PolarHBondContact O-N 2.83Å; W364-Y368 WeakPolarHBondContact O-CB 3.43Å; W364-Y368 PolarHBondContact O-N 2.87Å; W364-Y423 HydrophobicContact CB-CD2 3.97Å; W364-Y423 HydrophobicContact CB-CE2 3.66Å; W364-Y423 AromaticContact CD1-CZ 3.96Å; W364-Y423 HydrophobicContact CG-CE2 4.46Å; W364-I428 HydrophobicContact CB-CG2 4.14Å; W364-I428 HydrophobicContact CG-CG2 4.23Å; W364-I429 HydrophobicContact CB-CD1 4.15Å; W364-F441 HydrophobicContact CB-CE1 4.29Å; W364-F441 HydrophobicContact CE3-CE1 4.4Å; W364-F441 WeakPolarHBondContact O-CZ 3.12Å; W364-P445 HydrophobicContact CZ3-CB 4.14Å; W364-I448 HydrophobicContact CD2-CD1 4.11Å; W364-I448 HydrophobicContact CD2-CG2 3.87Å; W364-I448 VanDerWaalsContact CE2-CG2 3.42Å; W364-I448 HydrophobicContact CE3-CB 4.5Å; W364-I448 HydrophobicContact CE3-CD1 3.57Å; W364-I448 HydrophobicContact CE3-CG2 4.27Å; W364-I448 HydrophobicContact CH2-CB 3.98Å; W364-I448 HydrophobicContact CH2-CD1 4.37Å; W364-I448 HydrophobicContact CH2-CG2 3.94Å; W364-I448 HydrophobicContact CZ2-CB 4.03Å; W364-I448 HydrophobicContact CZ2-CG2 3.47Å; W364-I448 VanDerWaalsContact CZ2-CG2 3.47Å; W364-I448 HydrophobicContact CZ3-CB 4.21Å; W364-I448 HydrophobicContact CZ3-CD1 3.73Å; W364-I448 HydrophobicContact CZ3-CG2 4.3Å; W364-M449 HydrophobicContact CH2-CG 3.88Å; W364-M449 HydrophobicContact CZ2-CG 4.25Å
365D91.8Very high84.8Confident41 Ų4145.2 Ų45.222%0.21923%0.231CC..Hα-helixtrans-71.8-49.6-177172.932.5000109.9C360 R361 L362 L363 V367 Y368 Q369C360-D365 WeakPolarHBondContact CA-OD2 3.35Å; C360-D365 WeakPolarHBondContact CB-OD2 3.4Å; R361-D365 PolarHBondContact N-OD2 2.64Å; L362-D365 HydrophobicContact CB-CB 4.44Å; L362-D365 PolarHBondContact O-N 3.08Å; L363-D365 VanDerWaalsContact C-N 3.31Å; L363-D365 PolarHBondContact O-N 2.96Å; D365-V367 VanDerWaalsContact C-N 3.34Å; D365-V367 PolarHBondContact O-N 3.13Å; D365-Y368 PolarHBondContact O-N 3.34Å; D365-Y368 VanDerWaalsContact O-N 3.09Å; D365-Q369 PolarHBondContact O-N 2.94Å
366Y93.8Very high86.4Confident0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-55.1-44.9170.4-174.7-102.1000113.2G355 I357 L362 Q369 L370 L401 W402 H405G355-Y366 WeakPolarHBondContact CA-OH 3.41Å; G355-Y366 VanDerWaalsContact O-CE2 3.22Å; G355-Y366 WeakPolarHBondContact O-CE2 3.18Å; G355-Y366 PolarHBondContact O-OH 3.46Å; I357-Y366 HydrophobicContact CB-CD2 4.46Å; I357-Y366 HydrophobicContact CB-CE2 4.44Å; I357-Y366 HydrophobicContact CD1-CD2 4.02Å; I357-Y366 HydrophobicContact CD1-CE2 3.91Å; I357-Y366 HydrophobicContact CG1-CE2 4.24Å; L362-Y366 PolarHBondContact O-N 3.26Å; L362-Y366 VanDerWaalsContact O-N 3.1Å; Y366-Q369 PolarHBondContact O-N 2.66Å; Y366-L370 HydrophobicContact CD1-CD1 3.8Å; Y366-L370 HydrophobicContact CD1-CG 4.36Å; Y366-L370 HydrophobicContact CE1-CD1 3.35Å; Y366-L370 HydrophobicContact CE1-CG 4.09Å; Y366-L370 WeakPolarHBondContact O-CG 3.38Å; Y366-L370 PolarHBondContact O-N 3.48Å; Y366-L401 WeakPolarHBondContact OH-CB 3.41Å; Y366-L401 PolarHBondContact OH-O 3.18Å; Y366-L401 VanDerWaalsContact OH-O 3.08Å; Y366-W402 HydrophobicContact CD1-CB 4.31Å; Y366-W402 HydrophobicContact CD1-CD2 4.28Å; Y366-W402 AromaticContact CD1-CE3 3.46Å; Y366-W402 HydrophobicContact CD1-CE3 3.46Å; Y366-W402 VanDerWaalsContact CD1-CE3 3.46Å; Y366-W402 HydrophobicContact CD1-CZ3 4.15Å; Y366-W402 AromaticContact CD2-CE3 3.99Å; Y366-W402 HydrophobicContact CD2-CE3 3.99Å; Y366-W402 HydrophobicContact CD2-CZ3 4.14Å; Y366-W402 HydrophobicContact CE1-CB 3.91Å; Y366-W402 AromaticContact CE1-CE3 3.94Å; Y366-W402 HydrophobicContact CE1-CE3 3.94Å; Y366-W402 HydrophobicContact CE2-CE3 4.43Å; Y366-W402 AromaticContact CG-CE3 3.48Å; Y366-W402 HydrophobicContact CG-CE3 3.48Å; Y366-W402 VanDerWaalsContact CG-CE3 3.48Å; Y366-W402 AromaticContact CG-CZ3 3.71Å; Y366-W402 HydrophobicContact CG-CZ3 3.71Å; Y366-W402 PolarHBondContact OH-N 2.99Å; Y366-H405 HydrophobicContact CD2-CB 4.33Å; Y366-H405 AromaticContact CD2-CD2 3.82Å; Y366-H405 AromaticContact CD2-CG 3.88Å; Y366-H405 HydrophobicContact CE2-CB 3.65Å; Y366-H405 AromaticContact CE2-CD2 3.99Å; Y366-H405 AromaticContact CE2-CG 3.58Å
367V94.9Very high87.4Confident1 Ų146.6 Ų46.61%0.00624%0.241CC..Hα-helixtrans-61.1-43.6175.1157.10000111.4L363 D365 L371 I380 F390 F441L363-V367 HydrophobicContact CD1-CG2 3.98Å; L363-V367 HydrophobicContact CG-CG2 4.24Å; L363-V367 VanDerWaalsContact O-CB 3.25Å; L363-V367 WeakPolarHBondContact O-CB 3.35Å; L363-V367 VanDerWaalsContact O-CG2 3.25Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 3.32Å; D365-V367 VanDerWaalsContact C-N 3.34Å; D365-V367 PolarHBondContact O-N 3.13Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 WeakPolarHBondContact O-CB 3.46Å; V367-L371 WeakPolarHBondContact O-CD1 3.43Å; V367-L371 VanDerWaalsContact O-CG 3.25Å; V367-L371 WeakPolarHBondContact O-CG 3.27Å; V367-L371 PolarHBondContact O-N 3Å; V367-I380 HydrophobicContact CB-CD1 4.38Å; V367-I380 HydrophobicContact CG1-CD1 3.68Å; V367-I380 HydrophobicContact CG2-CD1 4.2Å; V367-F390 HydrophobicContact CG1-CD2 4.46Å; V367-F390 HydrophobicContact CG1-CE1 4.49Å; V367-F390 HydrophobicContact CG1-CE2 3.85Å; V367-F390 HydrophobicContact CG1-CZ 3.85Å; V367-F441 HydrophobicContact CG1-CE2 3.98Å; V367-F441 HydrophobicContact CG1-CZ 3.84Å
368Y92.9Very high88.1Confident58 Ų5852.2 Ų52.223%0.22727%0.271CS..Hα-helixtrans-66.1-37.2179.2-161.9-81.7000112.2W364 D365 L371 S372 W382 F441 P445W364-Y368 WeakPolarHBondContact O-CB 3.43Å; W364-Y368 PolarHBondContact O-N 2.87Å; D365-Y368 PolarHBondContact O-N 3.34Å; D365-Y368 VanDerWaalsContact O-N 3.09Å; Y368-L371 CarbonylContact O-C 3.53Å; Y368-L371 WeakPolarHBondContact O-CB 3.29Å; Y368-L371 PolarHBondContact O-N 3.07Å; Y368-S372 PolarHBondContact O-N 3.36Å; Y368-S372 PolarHBondContact O-OG 3.37Å; Y368-W382 HydrophobicContact CD2-CH2 4.12Å; Y368-W382 HydrophobicContact CD2-CZ2 4.34Å; Y368-W382 AromaticContact CE2-CH2 3.82Å; Y368-W382 HydrophobicContact CE2-CH2 3.82Å; Y368-W382 HydrophobicContact CE2-CZ2 4.04Å; Y368-F441 HydrophobicContact CD2-CD1 4.38Å; Y368-F441 HydrophobicContact CD2-CD2 4.15Å; Y368-F441 HydrophobicContact CD2-CE1 4.12Å; Y368-F441 AromaticContact CD2-CE2 3.9Å; Y368-F441 HydrophobicContact CD2-CE2 3.9Å; Y368-F441 HydrophobicContact CD2-CG 4.39Å; Y368-F441 AromaticContact CD2-CZ 3.87Å; Y368-F441 HydrophobicContact CD2-CZ 3.87Å; Y368-F441 HydrophobicContact CG-CZ 4.46Å; Y368-P445 HydrophobicContact CD1-CG 3.87Å; Y368-P445 HydrophobicContact CD2-CG 4.02Å; Y368-P445 HydrophobicContact CE1-CG 3.62Å; Y368-P445 HydrophobicContact CE2-CG 3.76Å; Y368-P445 HydrophobicContact CG-CG 4.07Å
369Q91.8Very high89.5Confident89 Ų8953.2 Ų53.242%0.41626%0.263SS..Hα-helixtrans-77.7-33.3178.9-165.7158.42.700113.2I357 D365 Y366 L371 S372I357-Q369 HydrophobicContact CD1-CB 4.15Å; I357-Q369 HydrophobicContact CD1-CG 4.18Å; I357-Q369 HydrophobicContact CG2-CB 4.35Å; I357-Q369 HydrophobicContact CG2-CG 3.94Å; D365-Q369 PolarHBondContact O-N 2.94Å; Y366-Q369 PolarHBondContact O-N 2.66Å; Q369-L371 VanDerWaalsContact C-N 3.29Å; Q369-L371 PolarHBondContact O-N 3.35Å; Q369-S372 WeakPolarHBondContact O-CB 3.49Å; Q369-S372 PolarHBondContact O-N 3.22Å; Q369-S372 VanDerWaalsContact O-N 3.07Å
370L93.4Very high91Very high1 Ų148.1 Ų48.11%0.00524%0.236CC..Hα-helixtrans-61.8-38.4166.3-70.7178.6000111.6I357 Y366 S372 D373 Y376 I380 L398I357-L370 HydrophobicContact CD1-CD2 3.82Å; I357-L370 HydrophobicContact CD1-CG 4.07Å; Y366-L370 HydrophobicContact CD1-CD1 3.8Å; Y366-L370 HydrophobicContact CD1-CG 4.36Å; Y366-L370 HydrophobicContact CE1-CD1 3.35Å; Y366-L370 HydrophobicContact CE1-CG 4.09Å; Y366-L370 WeakPolarHBondContact O-CG 3.38Å; Y366-L370 PolarHBondContact O-N 3.48Å; L370-S372 PolarHBondContact O-N 3Å; L370-D373 PolarHBondContact O-N 2.87Å; L370-Y376 HydrophobicContact CD2-CD1 3.58Å; L370-Y376 HydrophobicContact CD2-CD2 3.58Å; L370-Y376 HydrophobicContact CD2-CE1 3.73Å; L370-Y376 HydrophobicContact CD2-CE2 3.74Å; L370-Y376 HydrophobicContact CD2-CG 3.49Å; L370-Y376 VanDerWaalsContact CD2-CG 3.49Å; L370-I380 HydrophobicContact CB-CG2 3.77Å; L370-I380 HydrophobicContact CD1-CG2 4.4Å; L370-L398 HydrophobicContact CD1-CD1 3.39Å
371L93.6Very high92Very high13 Ų1352.5 Ų52.57%0.06825%0.251CS..THydrogen-bonded Turntrans-67.7-7.2173.1-79.4167.9000114.3V367 Y368 Q369 I380 R381 W382 F390 F441V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 WeakPolarHBondContact O-CB 3.46Å; V367-L371 WeakPolarHBondContact O-CD1 3.43Å; V367-L371 VanDerWaalsContact O-CG 3.25Å; V367-L371 WeakPolarHBondContact O-CG 3.27Å; V367-L371 PolarHBondContact O-N 3Å; Y368-L371 CarbonylContact O-C 3.53Å; Y368-L371 WeakPolarHBondContact O-CB 3.29Å; Y368-L371 PolarHBondContact O-N 3.07Å; Q369-L371 VanDerWaalsContact C-N 3.29Å; Q369-L371 PolarHBondContact O-N 3.35Å; L371-I380 HydrophobicContact CD1-CD1 4.22Å; L371-I380 HydrophobicContact CD2-CD1 4.44Å; L371-I380 HydrophobicContact CD2-CG1 3.95Å; L371-I380 HydrophobicContact CG-CD1 4.09Å; L371-I380 HydrophobicContact CG-CG1 4.12Å; L371-I380 HydrophobicContact CG-CG2 4.44Å; L371-R381 VanDerWaalsContact CD2-CA 3.5Å; L371-W382 HydrophobicContact CB-CZ2 3.78Å; L371-W382 HydrophobicContact CD1-CH2 3.98Å; L371-W382 HydrophobicContact CD1-CZ2 3.97Å; L371-W382 HydrophobicContact CD1-CZ3 4.29Å; L371-W382 HydrophobicContact CD2-CD2 4.18Å; L371-W382 HydrophobicContact CD2-CG 4.24Å; L371-W382 HydrophobicContact CG-CZ2 4.37Å; L371-W382 PolarHBondContact O-NE1 2.84Å; L371-F390 HydrophobicContact CD1-CB 3.66Å; L371-F390 HydrophobicContact CD1-CD1 4.08Å; L371-F390 HydrophobicContact CD1-CD2 3.98Å; L371-F390 HydrophobicContact CD1-CG 3.66Å; L371-F390 HydrophobicContact CD2-CB 3.84Å; L371-F390 HydrophobicContact CG-CB 4.42Å; L371-F441 HydrophobicContact CD1-CE2 3.97Å
372S90.3Very high92.8Very high85 Ų8549.6 Ų49.659%0.59424%0.24SC*.THydrogen-bonded Turntrans-101.5-2.9177.6-55.80000113Y368 Q369 L370Y368-S372 PolarHBondContact O-N 3.36Å; Y368-S372 PolarHBondContact O-OG 3.37Å; Q369-S372 WeakPolarHBondContact O-CB 3.49Å; Q369-S372 PolarHBondContact O-N 3.22Å; Q369-S372 VanDerWaalsContact O-N 3.07Å; L370-S372 PolarHBondContact O-N 3Å
373D88.3Confident93Very high41 Ų4152.9 Ų52.922%0.21926%0.255CS..  trans-128.6109.9-176.8178.3-11.1000110L370 R375 Y376L370-D373 PolarHBondContact O-N 2.87Å; D373-R375 PolarHBondContact O-N 2.72Å; D373-R375 VanDerWaalsContact OD1-CB 3.22Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 VanDerWaalsContact OD1-CG 3.24Å; D373-R375 WeakPolarHBondContact OD1-CG 3.3Å; D373-R375 IonicContact OD1-CZ 3.61Å; D373-R375 PolarHBondContact OD1-N 3.04Å; D373-R375 IonicContact OD1-NE 2.66Å; D373-R375 PolarHBondContact OD1-NE 2.93Å; D373-R375 IonicContact OD1-NH2 3.77Å; D373-R375 IonicContact OD2-CZ 2.81Å; D373-R375 VanDerWaalsContact OD2-CZ 3.3Å; D373-R375 IonicContact OD2-NE 2.72Å; D373-R375 PolarHBondContact OD2-NE 3.28Å; D373-R375 IonicContact OD2-NH2 3.85Å; D373-R375 PolarHBondContact OD2-NH2 3.08Å; D373-Y376 HydrophobicContact CB-CD2 3.9Å; D373-Y376 HydrophobicContact CB-CE2 4.22Å; D373-Y376 PolarHBondContact O-N 3.33Å; D373-Y376 WeakPolarHBondContact OD2-CE2 3.46Å
374S88.8Confident93Very high85 Ų8555.6 Ų55.659%0.59427%0.27SS*.G310 helixtrans-60.6-17.8-174.253.70000114.2Y376 E377S374-Y376 PolarHBondContact O-N 2.87Å; S374-Y376 VanDerWaalsContact O-N 3.07Å; S374-E377 WeakPolarHBondContact CB-OE1 3.43Å; S374-E377 PolarHBondContact O-N 2.83Å
375R89.9Confident93Very high126 Ų12658.7 Ų58.748%0.47529%0.291SS..G310 helixtrans-58.9-20.5172.8-62-179-69.2-157.1-2.1112.6E349 D373E349-R375 IonicContact OE1-NH1 3.82Å; E349-R375 PolarHBondContact OE1-NH1 3.16Å; E349-R375 IonicContact OE2-NH1 2.84Å; E349-R375 PolarHBondContact OE2-NH1 3.3Å; E349-R375 VanDerWaalsContact OE2-NH1 3.12Å; D373-R375 PolarHBondContact O-N 2.72Å; D373-R375 VanDerWaalsContact OD1-CB 3.22Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 VanDerWaalsContact OD1-CG 3.24Å; D373-R375 WeakPolarHBondContact OD1-CG 3.3Å; D373-R375 IonicContact OD1-CZ 3.61Å; D373-R375 PolarHBondContact OD1-N 3.04Å; D373-R375 IonicContact OD1-NE 2.66Å; D373-R375 PolarHBondContact OD1-NE 2.93Å; D373-R375 IonicContact OD1-NH2 3.77Å; D373-R375 IonicContact OD2-CZ 2.81Å; D373-R375 VanDerWaalsContact OD2-CZ 3.3Å; D373-R375 IonicContact OD2-NE 2.72Å; D373-R375 PolarHBondContact OD2-NE 3.28Å; D373-R375 IonicContact OD2-NH2 3.85Å; D373-R375 PolarHBondContact OD2-NH2 3.08Å
376Y92.8Very high92.9Very high17 Ų1763.6 Ų63.67%0.06732%0.317CS..G310 helixtrans-103.45-179-58.9-80.9000115.1I354 G355 L370 D373 S374 N378 Y379 I380 L401I354-Y376 HydrophobicContact CG2-CE1 3.96Å; G355-Y376 PolarHBondContact N-OH 2.68Å; L370-Y376 HydrophobicContact CD2-CD1 3.58Å; L370-Y376 HydrophobicContact CD2-CD2 3.58Å; L370-Y376 HydrophobicContact CD2-CE1 3.73Å; L370-Y376 HydrophobicContact CD2-CE2 3.74Å; L370-Y376 HydrophobicContact CD2-CG 3.49Å; L370-Y376 VanDerWaalsContact CD2-CG 3.49Å; D373-Y376 HydrophobicContact CB-CD2 3.9Å; D373-Y376 HydrophobicContact CB-CE2 4.22Å; D373-Y376 PolarHBondContact O-N 3.33Å; D373-Y376 WeakPolarHBondContact OD2-CE2 3.46Å; S374-Y376 PolarHBondContact O-N 2.87Å; S374-Y376 VanDerWaalsContact O-N 3.07Å; Y376-N378 PolarHBondContact O-N 3.41Å; Y376-N378 VanDerWaalsContact O-N 3.07Å; Y376-Y379 HydrophobicContact CD1-CD2 4.09Å; Y376-Y379 HydrophobicContact CD1-CE2 4.48Å; Y376-Y379 WeakPolarHBondContact O-CA 3.46Å; Y376-Y379 WeakPolarHBondContact O-CB 3.26Å; Y376-Y379 PolarHBondContact O-N 2.81Å; Y376-I380 PolarHBondContact O-N 3.02Å; Y376-L401 HydrophobicContact CD1-CD1 3.91Å; Y376-L401 HydrophobicContact CE1-CD1 4.22Å; Y376-L401 HydrophobicContact CE1-CD2 4.29Å
377E92.4Very high92.9Very high104 Ų10465.8 Ų65.849%0.48633%0.332SS..THydrogen-bonded Turntrans-53.2-33.3-179.5-81.9177.2-144.100114.2S374 Y379 I380 R381 M393S374-E377 WeakPolarHBondContact CB-OE1 3.43Å; S374-E377 PolarHBondContact O-N 2.83Å; E377-Y379 PolarHBondContact O-N 3.47Å; E377-I380 WeakPolarHBondContact CA-O 3.43Å; E377-R381 HydrophobicContact CB-CB 4.46Å; E377-R381 HydrophobicContact CG-CB 4.27Å; E377-M393 WeakPolarHBondContact O-CG 3.43Å
378N92.8Very high92.8Very high135 Ų13569 Ų6972%0.72235%0.346SS*.THydrogen-bonded Turntrans-66.6-19.1176.6-67.4-53.2000113.6Y376 M393Y376-N378 PolarHBondContact O-N 3.41Å; Y376-N378 VanDerWaalsContact O-N 3.07Å; N378-M393 WeakPolarHBondContact O-CB 3.16Å
379Y94.8Very high93Very high77 Ų7766.7 Ų66.730%0.30234%0.338SS..THydrogen-bonded Turntrans-102.2-42.4176-57.7-72.8000111.7Y376 E377 M393 D394 L401Y376-Y379 HydrophobicContact CD1-CD2 4.09Å; Y376-Y379 HydrophobicContact CD1-CE2 4.48Å; Y376-Y379 WeakPolarHBondContact O-CA 3.46Å; Y376-Y379 WeakPolarHBondContact O-CB 3.26Å; Y376-Y379 PolarHBondContact O-N 2.81Å; E377-Y379 PolarHBondContact O-N 3.47Å; Y379-M393 PolarHBondContact O-N 2.74Å; Y379-D394 HydrophobicContact CD1-CB 4.09Å; Y379-D394 PolarHBondContact O-N 3.13Å; Y379-L401 HydrophobicContact CD1-CD1 4.09Å; Y379-L401 HydrophobicContact CD2-CD1 3.64Å; Y379-L401 HydrophobicContact CE1-CD1 4.44Å; Y379-L401 HydrophobicContact CE2-CD1 4Å; Y379-L401 HydrophobicContact CG-CD1 3.67Å
380I96.6Very high93.3Very high1 Ų162.4 Ų62.41%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-156.9136.5-176-163.9175.8000110.5V367 L370 L371 Y376 E377 F390 R391 I392 L398V367-I380 HydrophobicContact CB-CD1 4.38Å; V367-I380 HydrophobicContact CG1-CD1 3.68Å; V367-I380 HydrophobicContact CG2-CD1 4.2Å; L370-I380 HydrophobicContact CB-CG2 3.77Å; L370-I380 HydrophobicContact CD1-CG2 4.4Å; L371-I380 HydrophobicContact CD1-CD1 4.22Å; L371-I380 HydrophobicContact CD2-CD1 4.44Å; L371-I380 HydrophobicContact CD2-CG1 3.95Å; L371-I380 HydrophobicContact CG-CD1 4.09Å; L371-I380 HydrophobicContact CG-CG1 4.12Å; L371-I380 HydrophobicContact CG-CG2 4.44Å; Y376-I380 PolarHBondContact O-N 3.02Å; E377-I380 WeakPolarHBondContact CA-O 3.43Å; I380-F390 HydrophobicContact CD1-CD2 3.83Å; I380-F390 HydrophobicContact CD1-CE2 3.94Å; I380-F390 HydrophobicContact CG1-CD2 4.06Å; I380-R391 WeakPolarHBondContact CA-O 3.39Å; I380-I392 HydrophobicContact CD1-CG1 4.04Å; I380-I392 HydrophobicContact CG1-CG1 4.12Å; I380-L398 HydrophobicContact CB-CD1 4.43Å; I380-L398 HydrophobicContact CB-CD2 4.39Å; I380-L398 HydrophobicContact CD1-CD2 3.94Å; I380-L398 HydrophobicContact CG1-CD2 4.5Å; I380-L398 HydrophobicContact CG2-CD1 4.28Å
381R96.2Very high93.5Very high99 Ų9965 Ų6537%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-146.4158.9-178.970.5177.5-154.4177.16.9112.5L371 E377 E383 F390 R391 M393L371-R381 VanDerWaalsContact CD2-CA 3.5Å; E377-R381 HydrophobicContact CB-CB 4.46Å; E377-R381 HydrophobicContact CG-CB 4.27Å; R381-E383 IonicContact CZ-OE1 2.92Å; R381-E383 IonicContact NE-OE1 3.21Å; R381-E383 IonicContact NH2-OE1 3.12Å; R381-E383 PolarHBondContact NH2-OE1 2.86Å; R381-F390 CarbonylContact O-C 3.58Å; R381-F390 VanDerWaalsContact O-CA 3.3Å; R381-F390 WeakPolarHBondContact O-CA 3.22Å; R381-F390 WeakPolarHBondContact O-CB 3.36Å; R381-R391 PolarHBondContact N-O 3.31Å; R381-R391 PolarHBondContact O-N 2.84Å; R381-M393 HydrophobicContact CG-CG 4.05Å; R381-M393 HydrophobicContact CG-SD 4.16Å
382W96.7Very high93.7Very high58 Ų5864.4 Ų64.422%0.2233%0.325CS..EExtended strand (participates in β ladder)trans-67.4141.6163.3-61.4105000109.9Y368 L371 P385 K388 F390 F441Y368-W382 HydrophobicContact CD2-CH2 4.12Å; Y368-W382 HydrophobicContact CD2-CZ2 4.34Å; Y368-W382 AromaticContact CE2-CH2 3.82Å; Y368-W382 HydrophobicContact CE2-CH2 3.82Å; Y368-W382 HydrophobicContact CE2-CZ2 4.04Å; L371-W382 HydrophobicContact CB-CZ2 3.78Å; L371-W382 HydrophobicContact CD1-CH2 3.98Å; L371-W382 HydrophobicContact CD1-CZ2 3.97Å; L371-W382 HydrophobicContact CD1-CZ3 4.29Å; L371-W382 HydrophobicContact CD2-CD2 4.18Å; L371-W382 HydrophobicContact CD2-CG 4.24Å; L371-W382 HydrophobicContact CG-CZ2 4.37Å; L371-W382 PolarHBondContact O-NE1 2.84Å; W382-P385 HydrophobicContact CB-CB 4.39Å; W382-P385 HydrophobicContact CB-CG 3.82Å; W382-P385 HydrophobicContact CG-CB 4.33Å; W382-P385 HydrophobicContact CG-CG 4.21Å; W382-K388 HydrophobicContact CH2-CD 4.46Å; W382-K388 HydrophobicContact CZ3-CB 4.15Å; W382-K388 HydrophobicContact CZ3-CD 4.49Å; W382-F390 HydrophobicContact CE3-CB 3.95Å; W382-F390 HydrophobicContact CZ3-CB 4.18Å; W382-F390 HydrophobicContact CZ3-CD1 4.45Å; W382-F441 AromaticContact CH2-CD2 3.95Å; W382-F441 HydrophobicContact CH2-CD2 3.95Å; W382-F441 HydrophobicContact CH2-CE2 4.27Å; W382-F441 HydrophobicContact CZ3-CD2 4.16Å
383E95.4Very high94Very high74 Ų7464.4 Ų64.435%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-101.9-34.8165.2-161.893.5-78.500110.1R381 V389 R391 L438R381-E383 IonicContact CZ-OE1 2.92Å; R381-E383 IonicContact NE-OE1 3.21Å; R381-E383 IonicContact NH2-OE1 3.12Å; R381-E383 PolarHBondContact NH2-OE1 2.86Å; E383-V389 HydrophobicContact CB-CG1 4.28Å; E383-V389 PolarHBondContact N-O 3.4Å; E383-R391 IonicContact OE2-CZ 3.93Å; E383-R391 IonicContact OE2-NE 3.49Å; E383-R391 PolarHBondContact OE2-NE 3.39Å; E383-R391 IonicContact OE2-NH2 3.05Å; E383-R391 PolarHBondContact OE2-NH2 2.82Å; E383-L438 HydrophobicContact CB-CD1 4.06Å; E383-L438 HydrophobicContact CG-CD1 4.35Å
384D93.4Very high94.4Very high58 Ų5865 Ų6531%0.3132%0.32SS..EExtended strand (participates in β ladder)trans-142.9102.1170.2176.1-17.8000107.7D386 S387 K388 V389D384-D386 VanDerWaalsContact C-N 3.29Å; D384-D386 PolarHBondContact O-N 2.78Å; D384-D386 PolarHBondContact OD1-N 3.22Å; D384-S387 WeakPolarHBondContact OD1-CB 3.45Å; D384-S387 PolarHBondContact OD1-N 2.9Å; D384-S387 WeakPolarHBondContact OD2-CB 3.46Å; D384-S387 PolarHBondContact OD2-OG 3.49Å; D384-K388 PolarHBondContact O-N 2.8Å; D384-K388 VanDerWaalsContact O-N 3.11Å; D384-V389 HydrophobicContact CB-CB 4.19Å; D384-V389 PolarHBondContact N-O 2.75Å; D384-V389 VanDerWaalsContact N-O 3.1Å; D384-V389 PolarHBondContact O-N 3.49Å
385P91.4Very high94.7Very high70 Ų7062.3 Ų62.346%0.45530%0.3SS..THydrogen-bonded Turntrans-63.9-30.5179.7-21.231.9000113.5W382 K388W382-P385 HydrophobicContact CB-CB 4.39Å; W382-P385 HydrophobicContact CB-CG 3.82Å; W382-P385 HydrophobicContact CG-CB 4.33Å; W382-P385 HydrophobicContact CG-CG 4.21Å; P385-K388 WeakPolarHBondContact O-CD 3.5Å; P385-K388 WeakPolarHBondContact O-CE 3.38Å; P385-K388 PolarHBondContact O-N 3.24Å; P385-K388 PolarHBondContact O-NZ 2.82Å
386D91Very high95Very high143 Ų14361.3 Ų61.377%0.76530%0.304SS*.THydrogen-bonded Turntrans-74.4-51.7-176.6-69-43.3000110.1D384 K388D384-D386 VanDerWaalsContact C-N 3.29Å; D384-D386 PolarHBondContact O-N 2.78Å; D384-D386 PolarHBondContact OD1-N 3.22Å; D386-K388 PolarHBondContact O-N 2.91Å; D386-K388 VanDerWaalsContact O-N 3.12Å; D386-K388 PolarHBondContact O-NZ 3.4Å
387S92.8Very high95.1Very high46 Ų4660.8 Ų60.832%0.32230%0.304SS..THydrogen-bonded Turntrans-65.6-6.6171-70.70000114.7D384 V389 R440D384-S387 WeakPolarHBondContact OD1-CB 3.45Å; D384-S387 PolarHBondContact OD1-N 2.9Å; D384-S387 WeakPolarHBondContact OD2-CB 3.46Å; D384-S387 PolarHBondContact OD2-OG 3.49Å; S387-V389 VanDerWaalsContact C-N 3.27Å; S387-V389 PolarHBondContact O-N 3.14Å; S387-R440 WeakPolarHBondContact O-CD 3.35Å; S387-R440 VanDerWaalsContact O-CG 3.28Å; S387-R440 WeakPolarHBondContact O-CG 3.24Å; S387-R440 PolarHBondContact O-NH1 3.08Å
388K94.4Very high95.2Very high68 Ų6855.9 Ų55.930%0.29628%0.281SS..THydrogen-bonded Turntrans56.236.2-174-50.7-70.3167.5-70.50113.4W382 D384 P385 D386 R440 F441W382-K388 HydrophobicContact CH2-CD 4.46Å; W382-K388 HydrophobicContact CZ3-CB 4.15Å; W382-K388 HydrophobicContact CZ3-CD 4.49Å; D384-K388 PolarHBondContact O-N 2.8Å; D384-K388 VanDerWaalsContact O-N 3.11Å; P385-K388 WeakPolarHBondContact O-CD 3.5Å; P385-K388 WeakPolarHBondContact O-CE 3.38Å; P385-K388 PolarHBondContact O-N 3.24Å; P385-K388 PolarHBondContact O-NZ 2.82Å; D386-K388 PolarHBondContact O-N 2.91Å; D386-K388 VanDerWaalsContact O-N 3.12Å; D386-K388 PolarHBondContact O-NZ 3.4Å; K388-R440 CarbonylContact O-C 3.53Å; K388-R440 VanDerWaalsContact O-CA 3.31Å; K388-R440 WeakPolarHBondContact O-CA 3.42Å; K388-F441 HydrophobicContact CB-CB 4.06Å; K388-F441 PolarHBondContact O-N 3.33Å
389V96Very high95.4Very high10 Ų1049.4 Ų49.46%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-92.7127.4176.6-179.80000109.8E383 D384 S387 L438 F439 R440E383-V389 HydrophobicContact CB-CG1 4.28Å; E383-V389 PolarHBondContact N-O 3.4Å; D384-V389 HydrophobicContact CB-CB 4.19Å; D384-V389 PolarHBondContact N-O 2.75Å; D384-V389 VanDerWaalsContact N-O 3.1Å; D384-V389 PolarHBondContact O-N 3.49Å; S387-V389 VanDerWaalsContact C-N 3.27Å; S387-V389 PolarHBondContact O-N 3.14Å; V389-L438 HydrophobicContact CG1-CD1 3.68Å; V389-L438 HydrophobicContact CG1-CD2 4.11Å; V389-L438 HydrophobicContact CG1-CG 3.79Å; V389-F439 CarbonylContact C-O 3.34Å; V389-F439 WeakPolarHBondContact CA-O 3.42Å; V389-F439 WeakPolarHBondContact CG1-O 3.42Å; V389-R440 HydrophobicContact CG2-CB 4.18Å; V389-R440 HydrophobicContact CG2-CG 3.82Å; V389-R440 VanDerWaalsContact CG2-CZ 3.43Å
390F97.5Very high95.3Very high0 Ų054.9 Ų54.90%027%0.267CS..EExtended strand (participates in β ladder)trans-128.4150.1-18071.7-90.4000112.4V367 L371 I380 R381 W382 I392 I429 F439 F441V367-F390 HydrophobicContact CG1-CD2 4.46Å; V367-F390 HydrophobicContact CG1-CE1 4.49Å; V367-F390 HydrophobicContact CG1-CE2 3.85Å; V367-F390 HydrophobicContact CG1-CZ 3.85Å; L371-F390 HydrophobicContact CD1-CB 3.66Å; L371-F390 HydrophobicContact CD1-CD1 4.08Å; L371-F390 HydrophobicContact CD1-CD2 3.98Å; L371-F390 HydrophobicContact CD1-CG 3.66Å; L371-F390 HydrophobicContact CD2-CB 3.84Å; L371-F390 HydrophobicContact CG-CB 4.42Å; I380-F390 HydrophobicContact CD1-CD2 3.83Å; I380-F390 HydrophobicContact CD1-CE2 3.94Å; I380-F390 HydrophobicContact CG1-CD2 4.06Å; R381-F390 CarbonylContact O-C 3.58Å; R381-F390 VanDerWaalsContact O-CA 3.3Å; R381-F390 WeakPolarHBondContact O-CA 3.22Å; R381-F390 WeakPolarHBondContact O-CB 3.36Å; W382-F390 HydrophobicContact CE3-CB 3.95Å; W382-F390 HydrophobicContact CZ3-CB 4.18Å; W382-F390 HydrophobicContact CZ3-CD1 4.45Å; F390-I392 HydrophobicContact CE2-CG1 4.26Å; F390-I429 HydrophobicContact CE1-CD1 4.35Å; F390-I429 HydrophobicContact CE1-CG1 4.38Å; F390-I429 HydrophobicContact CE1-CG2 4.27Å; F390-I429 HydrophobicContact CZ-CD1 4.13Å; F390-I429 HydrophobicContact CZ-CG2 4.26Å; F390-F439 HydrophobicContact CD1-CB 4.12Å; F390-F439 HydrophobicContact CD2-CB 4.33Å; F390-F439 HydrophobicContact CD2-CD2 4.5Å; F390-F439 HydrophobicContact CE1-CB 3.59Å; F390-F439 HydrophobicContact CE2-CB 3.83Å; F390-F439 AromaticContact CE2-CD2 3.91Å; F390-F439 HydrophobicContact CE2-CD2 3.91Å; F390-F439 HydrophobicContact CE2-CG 4.19Å; F390-F439 HydrophobicContact CG-CB 4.47Å; F390-F439 HydrophobicContact CZ-CB 3.44Å; F390-F439 VanDerWaalsContact CZ-CB 3.44Å; F390-F439 HydrophobicContact CZ-CD2 4.25Å; F390-F439 HydrophobicContact CZ-CG 4.07Å; F390-F439 PolarHBondContact N-O 3.28Å; F390-F439 PolarHBondContact O-N 3.44Å; F390-F441 AromaticContact CD1-CD2 3.61Å; F390-F441 HydrophobicContact CD1-CD2 3.61Å; F390-F441 AromaticContact CD1-CE2 3.67Å; F390-F441 HydrophobicContact CD1-CE2 3.67Å; F390-F441 AromaticContact CE1-CD2 3.48Å; F390-F441 HydrophobicContact CE1-CD2 3.48Å; F390-F441 VanDerWaalsContact CE1-CD2 3.48Å; F390-F441 AromaticContact CE1-CE2 3.36Å; F390-F441 HydrophobicContact CE1-CE2 3.36Å; F390-F441 HydrophobicContact CE1-CG 4.41Å; F390-F441 HydrophobicContact CE1-CZ 4.23Å; F390-F441 HydrophobicContact CZ-CE2 4.08Å
391R97.6Very high95.2Very high54 Ų5455.5 Ų55.520%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-116133.2175.3-166.4179.2-63.2-93.36.5110.6I380 R381 E383 M393 R436 L437 L438I380-R391 WeakPolarHBondContact CA-O 3.39Å; R381-R391 PolarHBondContact N-O 3.31Å; R381-R391 PolarHBondContact O-N 2.84Å; E383-R391 IonicContact OE2-CZ 3.93Å; E383-R391 IonicContact OE2-NE 3.49Å; E383-R391 PolarHBondContact OE2-NE 3.39Å; E383-R391 IonicContact OE2-NH2 3.05Å; E383-R391 PolarHBondContact OE2-NH2 2.82Å; R391-M393 HydrophobicContact CB-SD 4.22Å; R391-M393 HydrophobicContact CG-SD 4Å; R391-R436 PolarHBondContact NH1-O 3.41Å; R391-L437 WeakPolarHBondContact CA-O 3.5Å; R391-L438 HydrophobicContact CB-CD1 3.83Å; R391-L438 HydrophobicContact CG-CD1 4.28Å
392I97.8Very high95.1Very high2 Ų251.2 Ų51.21%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-82.1117.2164.9-60173.8000107.3I380 F390 P395 L398 Y413 L420 L437 F439I380-I392 HydrophobicContact CD1-CG1 4.04Å; I380-I392 HydrophobicContact CG1-CG1 4.12Å; F390-I392 HydrophobicContact CE2-CG1 4.26Å; I392-P395 HydrophobicContact CG2-CB 4.09Å; I392-L398 HydrophobicContact CB-CD2 4.23Å; I392-L398 HydrophobicContact CD1-CD2 3.7Å; I392-L398 HydrophobicContact CG1-CD2 3.68Å; I392-L398 HydrophobicContact CG2-CB 4.37Å; I392-L398 HydrophobicContact CG2-CD2 3.61Å; I392-Y413 HydrophobicContact CD1-CE2 4.01Å; I392-L420 HydrophobicContact CD1-CD1 4.29Å; I392-L437 HydrophobicContact CB-CB 4.2Å; I392-L437 PolarHBondContact N-O 2.77Å; I392-L437 VanDerWaalsContact O-CB 3.31Å; I392-L437 WeakPolarHBondContact O-CB 3.14Å; I392-L437 WeakPolarHBondContact O-CD1 3.3Å; I392-F439 HydrophobicContact CD1-CD2 4.15Å; I392-F439 HydrophobicContact CD1-CE2 3.66Å; I392-F439 HydrophobicContact CG1-CD2 4.35Å; I392-F439 HydrophobicContact CG1-CE2 4.17Å
393M97Very high94.8Very high85 Ų8548.5 Ų48.542%0.41924%0.244SC..SBendtrans-87.7-50.6-175.5-61.6-58.5-66.800111.1E377 N378 Y379 R381 R391E377-M393 WeakPolarHBondContact O-CG 3.43Å; N378-M393 WeakPolarHBondContact O-CB 3.16Å; Y379-M393 PolarHBondContact O-N 2.74Å; R381-M393 HydrophobicContact CG-CG 4.05Å; R381-M393 HydrophobicContact CG-SD 4.16Å; R391-M393 HydrophobicContact CB-SD 4.22Å; R391-M393 HydrophobicContact CG-SD 4Å
394D96.2Very high94.5Very high53 Ų5348 Ų4828%0.28324%0.244SC..  trans-115.5101.6169.3176.111.1000110.2Y379 N396 G397 L398Y379-D394 HydrophobicContact CD1-CB 4.09Å; Y379-D394 PolarHBondContact O-N 3.13Å; D394-N396 VanDerWaalsContact C-N 3.26Å; D394-N396 PolarHBondContact O-N 2.86Å; D394-N396 WeakPolarHBondContact OD1-CA 3.45Å; D394-N396 WeakPolarHBondContact OD1-CB 3.48Å; D394-N396 PolarHBondContact OD1-N 3.42Å; D394-G397 PolarHBondContact OD1-N 3.25Å; D394-G397 WeakPolarHBondContact OD2-CA 3.42Å; D394-G397 PolarHBondContact OD2-N 3.03Å; D394-L398 VanDerWaalsContact O-CB 3.28Å; D394-L398 WeakPolarHBondContact O-CB 3.47Å; D394-L398 PolarHBondContact O-N 3.27Å
395P96.4Very high94.2Very high28 Ų2846.9 Ų46.918%0.18224%0.237CC..Hα-helixtrans-67.8-24.9179.128.6-34.9000113.3I392 A399 Y413 L437I392-P395 HydrophobicContact CG2-CB 4.09Å; P395-A399 VanDerWaalsContact O-CB 3.3Å; P395-A399 WeakPolarHBondContact O-CB 3.13Å; P395-A399 PolarHBondContact O-N 3.37Å; P395-Y413 HydrophobicContact CB-CD1 4.35Å; P395-Y413 HydrophobicContact CB-CD2 3.36Å; P395-Y413 HydrophobicContact CB-CE2 3.94Å; P395-Y413 HydrophobicContact CB-CG 3.62Å; P395-L437 HydrophobicContact CB-CD1 4.27Å; P395-L437 HydrophobicContact CB-CD2 4.34Å; P395-L437 HydrophobicContact CG-CD1 3.91Å
396N95.9Very high93.9Very high105 Ų10546.3 Ų46.356%0.56123%0.227SC*.Hα-helixtrans-82.3-45.7-179.4-66.9-41.3000110.8D394 A399 R400D394-N396 VanDerWaalsContact C-N 3.26Å; D394-N396 PolarHBondContact O-N 2.86Å; D394-N396 WeakPolarHBondContact OD1-CA 3.45Å; D394-N396 WeakPolarHBondContact OD1-CB 3.48Å; D394-N396 PolarHBondContact OD1-N 3.42Å; N396-A399 PolarHBondContact O-N 2.8Å; N396-R400 WeakPolarHBondContact O-CG 3.37Å; N396-R400 PolarHBondContact O-N 3.24Å
397G94.2Very high93.6Very high7 Ų745.1 Ų45.17%0.07222%0.221CC..Hα-helixtrans-59.1-48.417200000112D394 A399 R400 L401D394-G397 PolarHBondContact OD1-N 3.25Å; D394-G397 WeakPolarHBondContact OD2-CA 3.42Å; D394-G397 PolarHBondContact OD2-N 3.03Å; G397-A399 VanDerWaalsContact C-N 3.32Å; G397-A399 PolarHBondContact O-N 2.79Å; G397-R400 WeakPolarHBondContact O-CB 3.25Å; G397-R400 PolarHBondContact O-N 3.28Å; G397-L401 WeakPolarHBondContact O-CG 3.2Å; G397-L401 PolarHBondContact O-N 3.44Å
398L96.1Very high93.2Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-58.6-42176-177.864000112.5L370 I380 I392 D394 R400 L401 W402 M416L370-L398 HydrophobicContact CD1-CD1 3.39Å; I380-L398 HydrophobicContact CB-CD1 4.43Å; I380-L398 HydrophobicContact CB-CD2 4.39Å; I380-L398 HydrophobicContact CD1-CD2 3.94Å; I380-L398 HydrophobicContact CG1-CD2 4.5Å; I380-L398 HydrophobicContact CG2-CD1 4.28Å; I392-L398 HydrophobicContact CB-CD2 4.23Å; I392-L398 HydrophobicContact CD1-CD2 3.7Å; I392-L398 HydrophobicContact CG1-CD2 3.68Å; I392-L398 HydrophobicContact CG2-CB 4.37Å; I392-L398 HydrophobicContact CG2-CD2 3.61Å; D394-L398 VanDerWaalsContact O-CB 3.28Å; D394-L398 WeakPolarHBondContact O-CB 3.47Å; D394-L398 PolarHBondContact O-N 3.27Å; L398-R400 VanDerWaalsContact C-N 3.34Å; L398-R400 PolarHBondContact O-N 3.11Å; L398-L401 PolarHBondContact O-N 2.87Å; L398-W402 PolarHBondContact O-N 3.48Å; L398-M416 HydrophobicContact CD2-CE 3.83Å; L398-M416 HydrophobicContact CG-CE 3.96Å; L398-M416 HydrophobicContact CG-SD 4.21Å
399A95.9Very high92.8Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-65.4-35.3175.300000112.9P395 N396 G397 G403 M411 T412 M416P395-A399 VanDerWaalsContact O-CB 3.3Å; P395-A399 WeakPolarHBondContact O-CB 3.13Å; P395-A399 PolarHBondContact O-N 3.37Å; N396-A399 PolarHBondContact O-N 2.8Å; G397-A399 VanDerWaalsContact C-N 3.32Å; G397-A399 PolarHBondContact O-N 2.79Å; A399-G403 PolarHBondContact O-N 3.48Å; A399-M411 HydrophobicContact CB-CG 4.42Å; A399-M411 WeakPolarHBondContact O-CB 3.39Å; A399-M411 WeakPolarHBondContact O-CG 3.3Å; A399-T412 VanDerWaalsContact CB-C 3.45Å; A399-M416 HydrophobicContact CB-SD 4.19Å
400R93.2Very high92.4Very high191 Ų19152.7 Ų52.772%0.72126%0.26SS*.Hα-helixtrans-70.6-34.8174.1-71.6174.469.3-161.31.4112.6N396 G397 L398 G403 N404N396-R400 WeakPolarHBondContact O-CG 3.37Å; N396-R400 PolarHBondContact O-N 3.24Å; G397-R400 WeakPolarHBondContact O-CB 3.25Å; G397-R400 PolarHBondContact O-N 3.28Å; L398-R400 VanDerWaalsContact C-N 3.34Å; L398-R400 PolarHBondContact O-N 3.11Å; R400-G403 PolarHBondContact O-N 3.35Å; R400-N404 PolarHBondContact O-N 3.11Å
401L94.1Very high92.1Very high14 Ų1453.2 Ų53.27%0.07326%0.263CS..Hα-helixtrans-63.8-52173.1-69171.6000110.5I354 Y366 Y376 Y379 G397 L398 G403 N404 H405I354-L401 HydrophobicContact CG2-CD2 3.85Å; Y366-L401 WeakPolarHBondContact OH-CB 3.41Å; Y366-L401 PolarHBondContact OH-O 3.18Å; Y366-L401 VanDerWaalsContact OH-O 3.08Å; Y376-L401 HydrophobicContact CD1-CD1 3.91Å; Y376-L401 HydrophobicContact CE1-CD1 4.22Å; Y376-L401 HydrophobicContact CE1-CD2 4.29Å; Y379-L401 HydrophobicContact CD1-CD1 4.09Å; Y379-L401 HydrophobicContact CD2-CD1 3.64Å; Y379-L401 HydrophobicContact CE1-CD1 4.44Å; Y379-L401 HydrophobicContact CE2-CD1 4Å; Y379-L401 HydrophobicContact CG-CD1 3.67Å; G397-L401 WeakPolarHBondContact O-CG 3.2Å; G397-L401 PolarHBondContact O-N 3.44Å; L398-L401 PolarHBondContact O-N 2.87Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 3.35Å; L401-N404 PolarHBondContact O-N 3.28Å; L401-N404 VanDerWaalsContact O-N 3.13Å; L401-H405 PolarHBondContact O-N 2.88Å
402W93.7Very high92.1Very high10 Ų1053.8 Ų53.84%0.03827%0.272CS..Hα-helixtrans-59.2-37.9173.9177.9-121.6000112.5L362 L363 Y366 L398 H405 K406 M416L362-W402 VanDerWaalsContact C-CH2 3.47Å; L363-W402 HydrophobicContact CB-CH2 4.2Å; L363-W402 HydrophobicContact CB-CZ2 3.84Å; L363-W402 HydrophobicContact CD1-CB 4.4Å; L363-W402 HydrophobicContact CD1-CD2 3.74Å; L363-W402 HydrophobicContact CD1-CE3 4.21Å; L363-W402 HydrophobicContact CD1-CG 3.83Å; Y366-W402 HydrophobicContact CD1-CB 4.31Å; Y366-W402 HydrophobicContact CD1-CD2 4.28Å; Y366-W402 AromaticContact CD1-CE3 3.46Å; Y366-W402 HydrophobicContact CD1-CE3 3.46Å; Y366-W402 VanDerWaalsContact CD1-CE3 3.46Å; Y366-W402 HydrophobicContact CD1-CZ3 4.15Å; Y366-W402 AromaticContact CD2-CE3 3.99Å; Y366-W402 HydrophobicContact CD2-CE3 3.99Å; Y366-W402 HydrophobicContact CD2-CZ3 4.14Å; Y366-W402 HydrophobicContact CE1-CB 3.91Å; Y366-W402 AromaticContact CE1-CE3 3.94Å; Y366-W402 HydrophobicContact CE1-CE3 3.94Å; Y366-W402 HydrophobicContact CE2-CE3 4.43Å; Y366-W402 AromaticContact CG-CE3 3.48Å; Y366-W402 HydrophobicContact CG-CE3 3.48Å; Y366-W402 VanDerWaalsContact CG-CE3 3.48Å; Y366-W402 AromaticContact CG-CZ3 3.71Å; Y366-W402 HydrophobicContact CG-CZ3 3.71Å; Y366-W402 PolarHBondContact OH-N 2.99Å; L398-W402 PolarHBondContact O-N 3.48Å; W402-H405 HydrophobicContact CE3-CB 4.41Å; W402-H405 AromaticContact CE3-CD2 3.85Å; W402-H405 AromaticContact CZ3-CD2 3.54Å; W402-H405 WeakPolarHBondContact O-CB 3.48Å; W402-H405 PolarHBondContact O-N 3.28Å; W402-K406 HydrophobicContact CD2-CG 3.93Å; W402-K406 HydrophobicContact CE3-CG 4.07Å; W402-K406 HydrophobicContact CH2-CD 3.73Å; W402-K406 HydrophobicContact CH2-CG 3.79Å; W402-K406 HydrophobicContact CZ2-CD 3.73Å; W402-K406 HydrophobicContact CZ2-CG 3.61Å; W402-K406 HydrophobicContact CZ3-CD 4.31Å; W402-K406 HydrophobicContact CZ3-CG 4.01Å; W402-K406 WeakPolarHBondContact O-CB 3.5Å; W402-K406 PolarHBondContact O-N 3.25Å; W402-M416 HydrophobicContact CB-SD 3.99Å; W402-M416 HydrophobicContact CG-CG 4.35Å; W402-M416 HydrophobicContact CG-SD 4.28Å
403G91.1Very high92Very high1 Ų155.4 Ų55.41%0.0128%0.278CS..Hα-helixtrans-58.9-50.2171.500000112.9A399 R400 L401 H405 K406 N407 R408A399-G403 PolarHBondContact O-N 3.48Å; R400-G403 PolarHBondContact O-N 3.35Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 3.35Å; G403-H405 VanDerWaalsContact C-N 3.3Å; G403-H405 PolarHBondContact O-N 2.63Å; G403-K406 CarbonylContact O-C 3.6Å; G403-K406 PolarHBondContact O-N 3.29Å; G403-N407 CarbonylContact O-C 3.58Å; G403-N407 WeakPolarHBondContact O-CA 3.31Å; G403-N407 PolarHBondContact O-N 2.94Å; G403-R408 CarbonylContact C-O 3.53Å; G403-R408 WeakPolarHBondContact CA-O 3.28Å; G403-R408 PolarHBondContact O-N 3.4Å
404N89.6Confident91.9Very high63 Ų6356 Ų5634%0.33728%0.28SS..Hα-helixtrans-59.5-40.9175.9-179.428.1000112.1I354 R356 R400 L401 N407I354-N404 PolarHBondContact O-ND2 3.36Å; R356-N404 PolarHBondContact NE-O 3.44Å; R356-N404 PolarHBondContact NE-OD1 2.79Å; R356-N404 PolarHBondContact NH2-O 2.86Å; R356-N404 VanDerWaalsContact NH2-O 3.11Å; R400-N404 PolarHBondContact O-N 3.11Å; L401-N404 PolarHBondContact O-N 3.28Å; L401-N404 VanDerWaalsContact O-N 3.13Å; N404-N407 PolarHBondContact O-N 3.39Å
405H86.4Confident91.7Very high35 Ų3555.5 Ų55.516%0.16228%0.275CS..Hα-helixtrans-60.9-52.3176.5-174.157.2000112.5G355 I357 C360 Y366 L401 W402 G403 N407G355-H405 WeakPolarHBondContact O-CB 3.43Å; I357-H405 PolarHBondContact O-CE1 3.44Å; C360-H405 PolarHBondContact O-NE2 2.87Å; C360-H405 VanDerWaalsContact SG-CE1 3.58Å; C360-H405 PolarHBondContact SG-NE2 3.08Å; Y366-H405 HydrophobicContact CD2-CB 4.33Å; Y366-H405 AromaticContact CD2-CD2 3.82Å; Y366-H405 AromaticContact CD2-CG 3.88Å; Y366-H405 HydrophobicContact CE2-CB 3.65Å; Y366-H405 AromaticContact CE2-CD2 3.99Å; Y366-H405 AromaticContact CE2-CG 3.58Å; L401-H405 PolarHBondContact O-N 2.88Å; W402-H405 HydrophobicContact CE3-CB 4.41Å; W402-H405 AromaticContact CE3-CD2 3.85Å; W402-H405 AromaticContact CZ3-CD2 3.54Å; W402-H405 WeakPolarHBondContact O-CB 3.48Å; W402-H405 PolarHBondContact O-N 3.28Å; G403-H405 VanDerWaalsContact C-N 3.3Å; G403-H405 PolarHBondContact O-N 2.63Å; H405-N407 PolarHBondContact O-N 3.37Å
406K85.1Confident91.7Very high57 Ų5754.3 Ų54.325%0.24827%0.268CS..THydrogen-bonded Turntrans-78.35.3177.4-67.5-83.3-68.7-161.40113.6W402 G403 R408 D464W402-K406 HydrophobicContact CD2-CG 3.93Å; W402-K406 HydrophobicContact CE3-CG 4.07Å; W402-K406 HydrophobicContact CH2-CD 3.73Å; W402-K406 HydrophobicContact CH2-CG 3.79Å; W402-K406 HydrophobicContact CZ2-CD 3.73Å; W402-K406 HydrophobicContact CZ2-CG 3.61Å; W402-K406 HydrophobicContact CZ3-CD 4.31Å; W402-K406 HydrophobicContact CZ3-CG 4.01Å; W402-K406 WeakPolarHBondContact O-CB 3.5Å; W402-K406 PolarHBondContact O-N 3.25Å; G403-K406 CarbonylContact O-C 3.6Å; G403-K406 PolarHBondContact O-N 3.29Å; K406-R408 VanDerWaalsContact C-N 3.26Å; K406-R408 HydrophobicContact CB-CG 4.47Å; K406-R408 PolarHBondContact O-N 2.92Å; K406-D464 WeakPolarHBondContact CE-OD2 3.27Å; K406-D464 IonicContact NZ-OD2 2.79Å; K406-D464 PolarHBondContact NZ-OD2 3.38Å
407N84.8Confident91.7Very high119 Ų11949.4 Ų49.464%0.63624%0.241SC*.THydrogen-bonded Turntrans54.434.5-176.1-149101000114.4R356 G403 N404 H405R356-N407 PolarHBondContact NH2-OD1 3.37Å; G403-N407 CarbonylContact O-C 3.58Å; G403-N407 WeakPolarHBondContact O-CA 3.31Å; G403-N407 PolarHBondContact O-N 2.94Å; N404-N407 PolarHBondContact O-N 3.39Å; H405-N407 PolarHBondContact O-N 3.37Å
408R85.1Confident91.7Very high67 Ų6754.7 Ų54.725%0.25326%0.259SS..  trans-114.2109.2-179.1-73.6176.5168.7-127.5-18110.7G403 K406 D464G403-R408 CarbonylContact C-O 3.53Å; G403-R408 WeakPolarHBondContact CA-O 3.28Å; G403-R408 PolarHBondContact O-N 3.4Å; K406-R408 VanDerWaalsContact C-N 3.26Å; K406-R408 HydrophobicContact CB-CG 4.47Å; K406-R408 PolarHBondContact O-N 2.92Å; R408-D464 IonicContact CZ-OD1 3.71Å; R408-D464 IonicContact CZ-OD2 3.5Å; R408-D464 IonicContact NE-OD1 3.7Å; R408-D464 PolarHBondContact NE-OD1 2.95Å; R408-D464 IonicContact NE-OD2 3.99Å; R408-D464 VanDerWaalsContact NH1-CA 3.34Å; R408-D464 PolarHBondContact NH1-O 2.87Å; R408-D464 IonicContact NH1-OD1 2.61Å; R408-D464 PolarHBondContact NH1-OD1 2.98Å; R408-D464 PolarHBondContact NH2-O 3.39Å; R408-D464 IonicContact NH2-OD1 3.14Å
409T84.3Confident91.5Very high129 Ų12955 Ų5579%0.79126%0.262SS*.THydrogen-bonded Turntrans-67.7-37.6-178.151.20000113.5M411T409-M411 PolarHBondContact O-N 2.77Å
410N87.7Confident91.4Very high86 Ų8655.1 Ų55.146%0.4626%0.263SS..THydrogen-bonded Turntrans-88.224.9-171.1-57.3-4.9000112.5K415 E471N410-K415 WeakPolarHBondContact O-CD 3.37Å; N410-K415 PolarHBondContact O-NZ 3.23Å; N410-E471 WeakPolarHBondContact CB-OE2 3.12Å; N410-E471 PolarHBondContact ND2-OE2 3.17Å
411M92.8Very high91.4Very high12 Ų1250.7 Ų50.76%0.05925%0.246CC..  trans-76.7128.3-180-173.758.271.600110.7A399 T409 K415 M416A399-M411 HydrophobicContact CB-CG 4.42Å; A399-M411 WeakPolarHBondContact O-CB 3.39Å; A399-M411 WeakPolarHBondContact O-CG 3.3Å; T409-M411 PolarHBondContact O-N 2.77Å; M411-K415 HydrophobicContact SD-CB 3.93Å; M411-M416 HydrophobicContact SD-CB 4.02Å
412T95.9Very high91.2Very high65 Ų6553.6 Ų53.640%0.39926%0.259SS..  trans-130.8161.118069.40000110.4A399 E414 K415 M416A399-T412 VanDerWaalsContact CB-C 3.45Å; T412-E414 PolarHBondContact O-N 3.42Å; T412-K415 PolarHBondContact O-N 3.3Å; T412-M416 WeakPolarHBondContact O-CB 3.48Å; T412-M416 PolarHBondContact O-N 2.89Å
413Y96.3Very high91.1Very high36 Ų3653.2 Ų53.214%0.14126%0.258CS..Hα-helixtrans-57.9-34.7178.8-178.3-97.3000112.9I392 P395 K415 M416 S417 L437I392-Y413 HydrophobicContact CD1-CE2 4.01Å; P395-Y413 HydrophobicContact CB-CD1 4.35Å; P395-Y413 HydrophobicContact CB-CD2 3.36Å; P395-Y413 HydrophobicContact CB-CE2 3.94Å; P395-Y413 HydrophobicContact CB-CG 3.62Å; Y413-K415 VanDerWaalsContact C-N 3.3Å; Y413-K415 PolarHBondContact O-N 2.86Å; Y413-M416 HydrophobicContact CD2-CE 3.77Å; Y413-M416 HydrophobicContact CE2-CE 4.13Å; Y413-S417 WeakPolarHBondContact O-CB 3.28Å; Y413-S417 PolarHBondContact O-N 2.96Å; Y413-S417 PolarHBondContact O-OG 2.69Å; Y413-L437 HydrophobicContact CE1-CD2 4.13Å; Y413-L437 HydrophobicContact CE2-CD2 4.01Å; Y413-L437 WeakPolarHBondContact OH-CD2 3.39Å
414E94.6Very high91.2Very high98 Ų9856.8 Ų56.846%0.45827%0.271SS..Hα-helixtrans-73.1-19.2178-72.5-52130.900114.4T412 R418 R421T412-E414 PolarHBondContact O-N 3.42Å; E414-R418 PolarHBondContact O-NE 3.5Å; E414-R421 IonicContact OE2-CZ 2.69Å; E414-R421 IonicContact OE2-NH2 3.54Å; E414-R421 PolarHBondContact OE2-NH2 3.38Å
415K93.3Very high91.1Very high42 Ų4262.2 Ų62.218%0.18329%0.292CS..Hα-helixtrans-84.4-54168.1-68.5177.2178.8-178.90110.7N410 M411 T412 Y413 S417 R418 I467 E471N410-K415 WeakPolarHBondContact O-CD 3.37Å; N410-K415 PolarHBondContact O-NZ 3.23Å; M411-K415 HydrophobicContact SD-CB 3.93Å; T412-K415 PolarHBondContact O-N 3.3Å; Y413-K415 VanDerWaalsContact C-N 3.3Å; Y413-K415 PolarHBondContact O-N 2.86Å; K415-S417 VanDerWaalsContact C-N 3.32Å; K415-S417 PolarHBondContact O-N 2.86Å; K415-R418 VanDerWaalsContact O-CB 3.28Å; K415-R418 WeakPolarHBondContact O-CB 3.48Å; K415-R418 WeakPolarHBondContact O-CG 3.4Å; K415-R418 PolarHBondContact O-N 3.04Å; K415-I467 HydrophobicContact CB-CD1 4.1Å; K415-I467 HydrophobicContact CD-CG2 3.95Å; K415-I467 HydrophobicContact CG-CD1 4.46Å; K415-E471 VanDerWaalsContact NZ-CD 3.33Å; K415-E471 IonicContact NZ-OE1 2.72Å; K415-E471 PolarHBondContact NZ-OE1 3.46Å; K415-E471 IonicContact NZ-OE2 2.69Å
416M95.4Very high91.1Very high3 Ų361.9 Ų61.92%0.01529%0.291CS..Hα-helixtrans-57.7-41.6-179.7-176.2-174.179.500112.5L363 L398 A399 W402 M411 T412 Y413 R418 A419L363-M416 HydrophobicContact CD1-CG 3.71Å; L363-M416 HydrophobicContact CD1-SD 3.84Å; L363-M416 HydrophobicContact CD2-CG 3.5Å; L363-M416 VanDerWaalsContact CD2-O 3.3Å; L363-M416 WeakPolarHBondContact CD2-O 3.48Å; L363-M416 HydrophobicContact CG-CG 4.27Å; L398-M416 HydrophobicContact CD2-CE 3.83Å; L398-M416 HydrophobicContact CG-CE 3.96Å; L398-M416 HydrophobicContact CG-SD 4.21Å; A399-M416 HydrophobicContact CB-SD 4.19Å; W402-M416 HydrophobicContact CB-SD 3.99Å; W402-M416 HydrophobicContact CG-CG 4.35Å; W402-M416 HydrophobicContact CG-SD 4.28Å; M411-M416 HydrophobicContact SD-CB 4.02Å; T412-M416 WeakPolarHBondContact O-CB 3.48Å; T412-M416 PolarHBondContact O-N 2.89Å; Y413-M416 HydrophobicContact CD2-CE 3.77Å; Y413-M416 HydrophobicContact CE2-CE 4.13Å; M416-R418 PolarHBondContact O-N 2.98Å; M416-R418 VanDerWaalsContact O-N 3.08Å; M416-A419 PolarHBondContact O-N 3.27Å
417S95.6Very high91.4Very high2 Ų264.3 Ų64.31%0.01431%0.307CS..Hα-helixtrans-71.51.8178.766.70000114.3Y413 K415 R421Y413-S417 WeakPolarHBondContact O-CB 3.28Å; Y413-S417 PolarHBondContact O-N 2.96Å; Y413-S417 PolarHBondContact O-OG 2.69Å; K415-S417 VanDerWaalsContact C-N 3.32Å; K415-S417 PolarHBondContact O-N 2.86Å; S417-R421 WeakPolarHBondContact O-CD 3.38Å; S417-R421 WeakPolarHBondContact O-CG 3.36Å; S417-R421 PolarHBondContact O-N 3.4Å; S417-R421 PolarHBondContact O-NE 3.48Å; S417-R421 PolarHBondContact OG-NH2 3.49Å
418R94.5Very high91.7Very high118 Ų11858.7 Ų58.745%0.44528%0.277SS..Hα-helixtrans-68.4-52.6165.9-57-60.5163.2124.6-4110E414 K415 M416 L420 R421 H422 T463E414-R418 PolarHBondContact O-NE 3.5Å; K415-R418 VanDerWaalsContact O-CB 3.28Å; K415-R418 WeakPolarHBondContact O-CB 3.48Å; K415-R418 WeakPolarHBondContact O-CG 3.4Å; K415-R418 PolarHBondContact O-N 3.04Å; M416-R418 PolarHBondContact O-N 2.98Å; M416-R418 VanDerWaalsContact O-N 3.08Å; R418-L420 VanDerWaalsContact C-N 3.28Å; R418-L420 PolarHBondContact O-N 3.04Å; R418-R421 WeakPolarHBondContact O-CA 3.35Å; R418-R421 WeakPolarHBondContact O-CB 3.47Å; R418-R421 PolarHBondContact O-N 3.29Å; R418-H422 PolarHBondContact O-CD2 3.05Å; R418-H422 PolarHBondContact O-N 3.31Å; R418-H422 VanDerWaalsContact O-N 3.08Å; R418-T463 HydrophobicContact CB-CG2 4.16Å
419A92.4Very high92.2Very high8 Ų855.5 Ų55.57%0.06627%0.265CS..Hα-helixtrans-53.4-44.5175.300000111.9L363 M416 R421 H422 Y423 D460L363-A419 HydrophobicContact CB-CB 4.27Å; L363-A419 HydrophobicContact CD2-CB 3.84Å; M416-A419 PolarHBondContact O-N 3.27Å; A419-R421 VanDerWaalsContact C-N 3.31Å; A419-R421 PolarHBondContact O-N 3.02Å; A419-H422 WeakPolarHBondContact O-CA 3.34Å; A419-H422 WeakPolarHBondContact O-CB 3.48Å; A419-H422 PolarHBondContact O-N 2.8Å; A419-Y423 HydrophobicContact CB-CE2 4.17Å; A419-Y423 WeakPolarHBondContact O-CD1 3.15Å; A419-Y423 WeakPolarHBondContact O-CD2 3.1Å; A419-Y423 VanDerWaalsContact O-CG 3.22Å; A419-Y423 PolarHBondContact O-N 2.9Å; A419-D460 WeakPolarHBondContact CB-OD1 3.29Å
420L94Very high92.7Very high2 Ų255.4 Ų55.41%0.0125%0.25CS..Hα-helixtrans-55.1-41.8172.8-60.5-178.5000113L363 I392 R418 H422 Y423 Y424 I429 F439L363-L420 HydrophobicContact CD2-CD2 3.72Å; L363-L420 HydrophobicContact CD2-CG 3.8Å; L363-L420 HydrophobicContact CG-CD2 4.32Å; I392-L420 HydrophobicContact CD1-CD1 4.29Å; R418-L420 VanDerWaalsContact C-N 3.28Å; R418-L420 PolarHBondContact O-N 3.04Å; L420-H422 VanDerWaalsContact C-N 3.33Å; L420-H422 PolarHBondContact O-N 2.98Å; L420-Y423 HydrophobicContact CD2-CD2 4.09Å; L420-Y423 HydrophobicContact CD2-CE2 4.37Å; L420-Y423 PolarHBondContact O-N 3Å; L420-Y424 WeakPolarHBondContact O-CD1 3.43Å; L420-Y424 WeakPolarHBondContact O-CE1 2.93Å; L420-Y424 PolarHBondContact O-N 2.84Å; L420-I429 HydrophobicContact CD2-CD1 4.15Å; L420-F439 HydrophobicContact CD1-CZ 4.35Å
421R93.1Very high93.1Very high97 Ų9755.3 Ų55.337%0.36625%0.246SC..Hα-helixtrans-67.4-29.6176.3-65.7163.7-139.2-155.53.5112.6E414 S417 R418 A419 Y424E414-R421 IonicContact OE2-CZ 2.69Å; E414-R421 IonicContact OE2-NH2 3.54Å; E414-R421 PolarHBondContact OE2-NH2 3.38Å; S417-R421 WeakPolarHBondContact O-CD 3.38Å; S417-R421 WeakPolarHBondContact O-CG 3.36Å; S417-R421 PolarHBondContact O-N 3.4Å; S417-R421 PolarHBondContact O-NE 3.48Å; S417-R421 PolarHBondContact OG-NH2 3.49Å; R418-R421 WeakPolarHBondContact O-CA 3.35Å; R418-R421 WeakPolarHBondContact O-CB 3.47Å; R418-R421 PolarHBondContact O-N 3.29Å; A419-R421 VanDerWaalsContact C-N 3.31Å; A419-R421 PolarHBondContact O-N 3.02Å; R421-Y424 HydrophobicContact CB-CD2 4.41Å; R421-Y424 HydrophobicContact CB-CE2 4.22Å; R421-Y424 HydrophobicContact CG-CE2 3.92Å
422H89.3Confident93.2Very high75 Ų7555.7 Ų55.735%0.34725%0.247SC..Hα-helixtrans-71.8-39.6171-72.2-88.6000111.6R418 A419 L420 Y424 K425 L426R418-H422 PolarHBondContact O-CD2 3.05Å; R418-H422 PolarHBondContact O-N 3.31Å; R418-H422 VanDerWaalsContact O-N 3.08Å; A419-H422 WeakPolarHBondContact O-CA 3.34Å; A419-H422 WeakPolarHBondContact O-CB 3.48Å; A419-H422 PolarHBondContact O-N 2.8Å; L420-H422 VanDerWaalsContact C-N 3.33Å; L420-H422 PolarHBondContact O-N 2.98Å; H422-Y424 PolarHBondContact O-N 3.44Å; H422-K425 PolarHBondContact O-N 3.41Å; H422-L426 PolarHBondContact O-N 3.12Å
423Y92.7Very high93.1Very high3 Ų357.2 Ų57.21%0.01226%0.258CS..Hα-helixtrans-62.8-23.1177-56.1-23.7000113.6L363 W364 A419 L420 L426 N427 I428 I429 L456 D460L363-Y423 HydrophobicContact CB-CE2 3.97Å; L363-Y423 WeakPolarHBondContact CB-OH 3.46Å; L363-Y423 HydrophobicContact CD2-CE2 4.46Å; L363-Y423 HydrophobicContact CG-CE2 4.41Å; L363-Y423 PolarHBondContact N-OH 2.98Å; L363-Y423 VanDerWaalsContact N-OH 3.1Å; W364-Y423 HydrophobicContact CB-CD2 3.97Å; W364-Y423 HydrophobicContact CB-CE2 3.66Å; W364-Y423 AromaticContact CD1-CZ 3.96Å; W364-Y423 HydrophobicContact CG-CE2 4.46Å; A419-Y423 HydrophobicContact CB-CE2 4.17Å; A419-Y423 WeakPolarHBondContact O-CD1 3.15Å; A419-Y423 WeakPolarHBondContact O-CD2 3.1Å; A419-Y423 VanDerWaalsContact O-CG 3.22Å; A419-Y423 PolarHBondContact O-N 2.9Å; L420-Y423 HydrophobicContact CD2-CD2 4.09Å; L420-Y423 HydrophobicContact CD2-CE2 4.37Å; L420-Y423 PolarHBondContact O-N 3Å; Y423-L426 HydrophobicContact CD1-CD1 4.32Å; Y423-L426 PolarHBondContact O-N 3.4Å; Y423-N427 PolarHBondContact O-N 3.43Å; Y423-I428 PolarHBondContact O-N 3.46Å; Y423-I429 CarbonylContact C-O 3.54Å; Y423-I429 HydrophobicContact CD2-CD1 4.11Å; Y423-I429 PolarHBondContact O-N 2.94Å; Y423-L456 HydrophobicContact CD1-CD2 4.12Å; Y423-L456 HydrophobicContact CE1-CD2 3.75Å; Y423-L456 HydrophobicContact CE1-CG 4.48Å; Y423-D460 PolarHBondContact OH-OD1 2.91Å; Y423-D460 PolarHBondContact OH-OD2 3.38Å
424Y91.6Very high92.8Very high75 Ų7559.8 Ų59.829%0.29430%0.295SS..Hα-helixtrans-60.5-47.6168.3-54.1-13.9000111.8L420 R421 H422 L426 N427 I429 K431 F439L420-Y424 WeakPolarHBondContact O-CD1 3.43Å; L420-Y424 WeakPolarHBondContact O-CE1 2.93Å; L420-Y424 PolarHBondContact O-N 2.84Å; R421-Y424 HydrophobicContact CB-CD2 4.41Å; R421-Y424 HydrophobicContact CB-CE2 4.22Å; R421-Y424 HydrophobicContact CG-CE2 3.92Å; H422-Y424 PolarHBondContact O-N 3.44Å; Y424-L426 PolarHBondContact O-N 2.83Å; Y424-N427 PolarHBondContact O-N 2.8Å; Y424-I429 VanDerWaalsContact CA-O 3.27Å; Y424-I429 WeakPolarHBondContact CA-O 3.33Å; Y424-I429 WeakPolarHBondContact CD1-O 3.29Å; Y424-I429 PolarHBondContact N-O 2.9Å; Y424-K431 HydrophobicContact CE1-CB 4.09Å; Y424-K431 HydrophobicContact CE2-CB 4.46Å; Y424-F439 HydrophobicContact CE1-CD1 4.43Å; Y424-F439 HydrophobicContact CE1-CE1 4.41Å
425K88.6Confident92.8Very high177 Ų17759.2 Ų59.277%0.7729%0.293SS*.Hα-helixtrans-67.8-24.8-179.1-64.9-175176.5-1770112.7H422H422-K425 PolarHBondContact O-N 3.41Å
426L86.8Confident92.8Very high28 Ų2867.3 Ų67.315%0.14732%0.322CS..THydrogen-bonded Turntrans-91.1-0.6-179.4-62163.3000112.4H422 Y423 Y424 I428 K443 L456H422-L426 PolarHBondContact O-N 3.12Å; Y423-L426 HydrophobicContact CD1-CD1 4.32Å; Y423-L426 PolarHBondContact O-N 3.4Å; Y424-L426 PolarHBondContact O-N 2.83Å; L426-I428 VanDerWaalsContact C-N 3.25Å; L426-I428 HydrophobicContact CB-CD1 3.68Å; L426-I428 HydrophobicContact CB-CG1 3.95Å; L426-I428 HydrophobicContact CD1-CD1 4.25Å; L426-I428 PolarHBondContact O-N 2.77Å; L426-K443 PolarHBondContact O-NZ 3.16Å; L426-L456 HydrophobicContact CD1-CD1 3.96Å; L426-L456 HydrophobicContact CD1-CG 4.12Å
427N90.7Very high92.8Very high109 Ų10969.1 Ų69.158%0.58333%0.332SS*.THydrogen-bonded Turntrans48.846.3-172.7-65.9-59000112.2Y423 Y424 K443Y423-N427 PolarHBondContact O-N 3.43Å; Y424-N427 PolarHBondContact O-N 2.8Å; N427-K443 VanDerWaalsContact O-CD 3.29Å; N427-K443 WeakPolarHBondContact O-CD 3.13Å; N427-K443 WeakPolarHBondContact O-CE 3.37Å; N427-K443 WeakPolarHBondContact O-CG 3.28Å
428I92.1Very high92.9Very high0 Ų069.7 Ų69.70%034%0.335CS..SBendtrans-101.7-50177.2-68.7170.1000109.5W364 Y423 L426 M442 K443 I448 L456W364-I428 HydrophobicContact CB-CG2 4.14Å; W364-I428 HydrophobicContact CG-CG2 4.23Å; Y423-I428 PolarHBondContact O-N 3.46Å; L426-I428 VanDerWaalsContact C-N 3.25Å; L426-I428 HydrophobicContact CB-CD1 3.68Å; L426-I428 HydrophobicContact CB-CG1 3.95Å; L426-I428 HydrophobicContact CD1-CD1 4.25Å; L426-I428 PolarHBondContact O-N 2.77Å; I428-M442 PolarHBondContact O-N 3.11Å; I428-K443 HydrophobicContact CG1-CD 4.16Å; I428-I448 HydrophobicContact CD1-CG2 3.91Å; I428-I448 HydrophobicContact CG1-CG1 4.29Å; I428-I448 HydrophobicContact CG1-CG2 4.24Å; I428-I448 HydrophobicContact CG2-CD1 3.69Å; I428-I448 HydrophobicContact CG2-CG1 4Å; I428-I448 HydrophobicContact CG2-CG2 4.28Å; I428-L456 HydrophobicContact CD1-CD1 3.98Å; I428-L456 HydrophobicContact CD1-CD2 3.65Å; I428-L456 HydrophobicContact CD1-CG 4.38Å
429I95Very high93Very high0 Ų064.2 Ų64.20%031%0.314CS..EExtended strand (participates in β ladder)trans-126.1145.1171-70.5165.7000107.8W364 F390 L420 Y423 Y424 F439 R440 F441W364-I429 HydrophobicContact CB-CD1 4.15Å; F390-I429 HydrophobicContact CE1-CD1 4.35Å; F390-I429 HydrophobicContact CE1-CG1 4.38Å; F390-I429 HydrophobicContact CE1-CG2 4.27Å; F390-I429 HydrophobicContact CZ-CD1 4.13Å; F390-I429 HydrophobicContact CZ-CG2 4.26Å; L420-I429 HydrophobicContact CD2-CD1 4.15Å; Y423-I429 CarbonylContact C-O 3.54Å; Y423-I429 HydrophobicContact CD2-CD1 4.11Å; Y423-I429 PolarHBondContact O-N 2.94Å; Y424-I429 VanDerWaalsContact CA-O 3.27Å; Y424-I429 WeakPolarHBondContact CA-O 3.33Å; Y424-I429 WeakPolarHBondContact CD1-O 3.29Å; Y424-I429 PolarHBondContact N-O 2.9Å; I429-F439 HydrophobicContact CG2-CB 3.94Å; I429-F439 HydrophobicContact CG2-CD1 4.24Å; I429-F439 HydrophobicContact CG2-CG 4.43Å; I429-R440 CarbonylContact C-O 3.39Å; I429-R440 VanDerWaalsContact CA-O 3.3Å; I429-R440 WeakPolarHBondContact CA-O 3.37Å; I429-F441 HydrophobicContact CD1-CD1 4.21Å; I429-F441 HydrophobicContact CD1-CE1 3.67Å; I429-F441 HydrophobicContact CD1-CE2 4.41Å; I429-F441 HydrophobicContact CD1-CZ 3.78Å; I429-F441 HydrophobicContact CG1-CD1 3.66Å; I429-F441 HydrophobicContact CG1-CE1 3.65Å; I429-F441 HydrophobicContact CG1-CG 4.13Å; I429-F441 HydrophobicContact CG1-CZ 4.11Å
430R94.9Very high93.2Very high128 Ų12867.1 Ų67.148%0.48332%0.323SS..EExtended strand (participates in β ladder)trans-120144.1170.6168.6175.1158.1-176.4-10.3109.6F439 R440 M442R430-F439 CarbonylContact O-C 3.59Å; R430-F439 VanDerWaalsContact O-CA 3.27Å; R430-F439 WeakPolarHBondContact O-CA 3.41Å; R430-R440 PolarHBondContact N-O 2.81Å; R430-R440 PolarHBondContact O-N 2.96Å; R430-M442 HydrophobicContact CB-CG 3.68Å; R430-M442 HydrophobicContact CB-SD 3.77Å; R430-M442 HydrophobicContact CG-SD 4.43Å
431K95.6Very high93.3Very high84 Ų8467.3 Ų67.337%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-81.7137.7167.9-169.7-167.5171.1-75.80110Y424 Q435 F439Y424-K431 HydrophobicContact CE1-CB 4.09Å; Y424-K431 HydrophobicContact CE2-CB 4.46Å; K431-Q435 PolarHBondContact NZ-O 3.01Å; K431-F439 HydrophobicContact CB-CD1 4.04Å; K431-F439 HydrophobicContact CB-CE1 4.1Å; K431-F439 HydrophobicContact CG-CD1 4.12Å; K431-F439 HydrophobicContact CG-CE1 3.89Å
432E95.6Very high93.3Very high20 Ų2066.6 Ų66.69%0.09333%0.326CS..PPolyproline II helixtrans-75.7138.9170.6-67.6-62.8174.900111.9Q435 L438 R440E432-Q435 HydrophobicContact CB-CB 4.28Å; E432-L438 HydrophobicContact CB-CB 4.42Å; E432-L438 HydrophobicContact CB-CD2 4.1Å; E432-L438 HydrophobicContact CB-CG 4.37Å; E432-L438 HydrophobicContact CG-CD2 4.08Å; E432-L438 HydrophobicContact CG-CG 4.23Å; E432-L438 PolarHBondContact N-O 3.4Å; E432-L438 VanDerWaalsContact N-O 3.11Å; E432-R440 IonicContact OE1-CZ 2.78Å; E432-R440 IonicContact OE1-NE 3.26Å; E432-R440 PolarHBondContact OE1-NE 3.38Å; E432-R440 IonicContact OE1-NH2 3.38Å; E432-R440 PolarHBondContact OE1-NH2 3.35Å
433P92.7Very high93.1Very high96 Ų9665.4 Ų65.462%0.62332%0.319SS*.SBendtrans-71.9151.3177.631.6-33.6000110.7Q435P433-Q435 PolarHBondContact O-N 3.4Å
434G90.1Very high92.7Very high90 Ų9067.9 Ų67.993%0.92834%0.335SS*.SBendtrans69.2-35.2-176.200000115.4
435Q94Very high92.3Very high87 Ų8765.5 Ų65.541%0.40733%0.329SS..  trans-81.8143.8-176.2-70.8-75.5-1100112.8K431 E432 P433 L438K431-Q435 PolarHBondContact NZ-O 3.01Å; E432-Q435 HydrophobicContact CB-CB 4.28Å; P433-Q435 PolarHBondContact O-N 3.4Å; Q435-L438 HydrophobicContact CB-CB 3.69Å; Q435-L438 HydrophobicContact CB-CD2 3.82Å; Q435-L438 HydrophobicContact CB-CG 4.41Å; Q435-L438 HydrophobicContact CG-CB 4.46Å; Q435-L438 HydrophobicContact CG-CD2 3.67Å
436R93.7Very high91.8Very high212 Ų21260.2 Ų60.280%0.831%0.309SS*.SBendtrans-96.5138.4170.7-68.3-177.569.4-161.50.7109.7R391 L438R391-R436 PolarHBondContact NH1-O 3.41Å; R436-L438 PolarHBondContact O-N 2.87Å
437L96.3Very high91.6Very high40 Ų4063.7 Ų63.721%0.20933%0.325CS..SBendtrans56.815.3177.6-56.1-179.7000115.7R391 I392 P395 Y413 F439R391-L437 WeakPolarHBondContact CA-O 3.5Å; I392-L437 HydrophobicContact CB-CB 4.2Å; I392-L437 PolarHBondContact N-O 2.77Å; I392-L437 VanDerWaalsContact O-CB 3.31Å; I392-L437 WeakPolarHBondContact O-CB 3.14Å; I392-L437 WeakPolarHBondContact O-CD1 3.3Å; P395-L437 HydrophobicContact CB-CD1 4.27Å; P395-L437 HydrophobicContact CB-CD2 4.34Å; P395-L437 HydrophobicContact CG-CD1 3.91Å; Y413-L437 HydrophobicContact CE1-CD2 4.13Å; Y413-L437 HydrophobicContact CE2-CD2 4.01Å; Y413-L437 WeakPolarHBondContact OH-CD2 3.39Å; L437-F439 VanDerWaalsContact C-CE2 3.43Å; L437-F439 WeakPolarHBondContact O-CD2 3.39Å; L437-F439 WeakPolarHBondContact O-CE2 3.21Å
438L97.1Very high91.1Very high15 Ų1558.6 Ų58.68%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-104.5131177.2-164.873.8000110.5E383 V389 R391 E432 Q435 R436E383-L438 HydrophobicContact CB-CD1 4.06Å; E383-L438 HydrophobicContact CG-CD1 4.35Å; V389-L438 HydrophobicContact CG1-CD1 3.68Å; V389-L438 HydrophobicContact CG1-CD2 4.11Å; V389-L438 HydrophobicContact CG1-CG 3.79Å; R391-L438 HydrophobicContact CB-CD1 3.83Å; R391-L438 HydrophobicContact CG-CD1 4.28Å; E432-L438 HydrophobicContact CB-CB 4.42Å; E432-L438 HydrophobicContact CB-CD2 4.1Å; E432-L438 HydrophobicContact CB-CG 4.37Å; E432-L438 HydrophobicContact CG-CD2 4.08Å; E432-L438 HydrophobicContact CG-CG 4.23Å; E432-L438 PolarHBondContact N-O 3.4Å; E432-L438 VanDerWaalsContact N-O 3.11Å; Q435-L438 HydrophobicContact CB-CB 3.69Å; Q435-L438 HydrophobicContact CB-CD2 3.82Å; Q435-L438 HydrophobicContact CB-CG 4.41Å; Q435-L438 HydrophobicContact CG-CB 4.46Å; Q435-L438 HydrophobicContact CG-CD2 3.67Å; R436-L438 PolarHBondContact O-N 2.87Å
439F97.3Very high90.2Very high2 Ų262.5 Ų62.51%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-140.9164.1-172.7-57.5-84.9000110.3V389 F390 I392 L420 Y424 I429 R430 K431 L437V389-F439 CarbonylContact C-O 3.34Å; V389-F439 WeakPolarHBondContact CA-O 3.42Å; V389-F439 WeakPolarHBondContact CG1-O 3.42Å; F390-F439 HydrophobicContact CD1-CB 4.12Å; F390-F439 HydrophobicContact CD2-CB 4.33Å; F390-F439 HydrophobicContact CD2-CD2 4.5Å; F390-F439 HydrophobicContact CE1-CB 3.59Å; F390-F439 HydrophobicContact CE2-CB 3.83Å; F390-F439 AromaticContact CE2-CD2 3.91Å; F390-F439 HydrophobicContact CE2-CD2 3.91Å; F390-F439 HydrophobicContact CE2-CG 4.19Å; F390-F439 HydrophobicContact CG-CB 4.47Å; F390-F439 HydrophobicContact CZ-CB 3.44Å; F390-F439 VanDerWaalsContact CZ-CB 3.44Å; F390-F439 HydrophobicContact CZ-CD2 4.25Å; F390-F439 HydrophobicContact CZ-CG 4.07Å; F390-F439 PolarHBondContact N-O 3.28Å; F390-F439 PolarHBondContact O-N 3.44Å; I392-F439 HydrophobicContact CD1-CD2 4.15Å; I392-F439 HydrophobicContact CD1-CE2 3.66Å; I392-F439 HydrophobicContact CG1-CD2 4.35Å; I392-F439 HydrophobicContact CG1-CE2 4.17Å; L420-F439 HydrophobicContact CD1-CZ 4.35Å; Y424-F439 HydrophobicContact CE1-CD1 4.43Å; Y424-F439 HydrophobicContact CE1-CE1 4.41Å; I429-F439 HydrophobicContact CG2-CB 3.94Å; I429-F439 HydrophobicContact CG2-CD1 4.24Å; I429-F439 HydrophobicContact CG2-CG 4.43Å; R430-F439 CarbonylContact O-C 3.59Å; R430-F439 VanDerWaalsContact O-CA 3.27Å; R430-F439 WeakPolarHBondContact O-CA 3.41Å; K431-F439 HydrophobicContact CB-CD1 4.04Å; K431-F439 HydrophobicContact CB-CE1 4.1Å; K431-F439 HydrophobicContact CG-CD1 4.12Å; K431-F439 HydrophobicContact CG-CE1 3.89Å; L437-F439 VanDerWaalsContact C-CE2 3.43Å; L437-F439 WeakPolarHBondContact O-CD2 3.39Å; L437-F439 WeakPolarHBondContact O-CE2 3.21Å
440R96.2Very high88.8Confident69 Ų6969.2 Ų69.226%0.2635%0.352SS..EExtended strand (participates in β ladder)trans-134.7132.3177.5-167.9-170-62.7-112.8-2.4110.2S387 K388 V389 I429 R430 E432 M442S387-R440 WeakPolarHBondContact O-CD 3.35Å; S387-R440 VanDerWaalsContact O-CG 3.28Å; S387-R440 WeakPolarHBondContact O-CG 3.24Å; S387-R440 PolarHBondContact O-NH1 3.08Å; K388-R440 CarbonylContact O-C 3.53Å; K388-R440 VanDerWaalsContact O-CA 3.31Å; K388-R440 WeakPolarHBondContact O-CA 3.42Å; V389-R440 HydrophobicContact CG2-CB 4.18Å; V389-R440 HydrophobicContact CG2-CG 3.82Å; V389-R440 VanDerWaalsContact CG2-CZ 3.43Å; I429-R440 CarbonylContact C-O 3.39Å; I429-R440 VanDerWaalsContact CA-O 3.3Å; I429-R440 WeakPolarHBondContact CA-O 3.37Å; R430-R440 PolarHBondContact N-O 2.81Å; R430-R440 PolarHBondContact O-N 2.96Å; E432-R440 IonicContact OE1-CZ 2.78Å; E432-R440 IonicContact OE1-NE 3.26Å; E432-R440 PolarHBondContact OE1-NE 3.38Å; E432-R440 IonicContact OE1-NH2 3.38Å; E432-R440 PolarHBondContact OE1-NH2 3.35Å; R440-M442 HydrophobicContact CG-CE 4.28Å
441F95.7Very high87.1Confident7 Ų765.9 Ų65.93%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-71.8132.7165-80-88.8000109.5W364 V367 Y368 L371 W382 K388 F390 I429 I448W364-F441 HydrophobicContact CB-CE1 4.29Å; W364-F441 HydrophobicContact CE3-CE1 4.4Å; W364-F441 WeakPolarHBondContact O-CZ 3.12Å; V367-F441 HydrophobicContact CG1-CE2 3.98Å; V367-F441 HydrophobicContact CG1-CZ 3.84Å; Y368-F441 HydrophobicContact CD2-CD1 4.38Å; Y368-F441 HydrophobicContact CD2-CD2 4.15Å; Y368-F441 HydrophobicContact CD2-CE1 4.12Å; Y368-F441 AromaticContact CD2-CE2 3.9Å; Y368-F441 HydrophobicContact CD2-CE2 3.9Å; Y368-F441 HydrophobicContact CD2-CG 4.39Å; Y368-F441 AromaticContact CD2-CZ 3.87Å; Y368-F441 HydrophobicContact CD2-CZ 3.87Å; Y368-F441 HydrophobicContact CG-CZ 4.46Å; L371-F441 HydrophobicContact CD1-CE2 3.97Å; W382-F441 AromaticContact CH2-CD2 3.95Å; W382-F441 HydrophobicContact CH2-CD2 3.95Å; W382-F441 HydrophobicContact CH2-CE2 4.27Å; W382-F441 HydrophobicContact CZ3-CD2 4.16Å; K388-F441 HydrophobicContact CB-CB 4.06Å; K388-F441 PolarHBondContact O-N 3.33Å; F390-F441 AromaticContact CD1-CD2 3.61Å; F390-F441 HydrophobicContact CD1-CD2 3.61Å; F390-F441 AromaticContact CD1-CE2 3.67Å; F390-F441 HydrophobicContact CD1-CE2 3.67Å; F390-F441 AromaticContact CE1-CD2 3.48Å; F390-F441 HydrophobicContact CE1-CD2 3.48Å; F390-F441 VanDerWaalsContact CE1-CD2 3.48Å; F390-F441 AromaticContact CE1-CE2 3.36Å; F390-F441 HydrophobicContact CE1-CE2 3.36Å; F390-F441 HydrophobicContact CE1-CG 4.41Å; F390-F441 HydrophobicContact CE1-CZ 4.23Å; F390-F441 HydrophobicContact CZ-CE2 4.08Å; I429-F441 HydrophobicContact CD1-CD1 4.21Å; I429-F441 HydrophobicContact CD1-CE1 3.67Å; I429-F441 HydrophobicContact CD1-CE2 4.41Å; I429-F441 HydrophobicContact CD1-CZ 3.78Å; I429-F441 HydrophobicContact CG1-CD1 3.66Å; I429-F441 HydrophobicContact CG1-CE1 3.65Å; I429-F441 HydrophobicContact CG1-CG 4.13Å; I429-F441 HydrophobicContact CG1-CZ 4.11Å; F441-I448 HydrophobicContact CD1-CD1 4.39Å
442M92.7Very high85.2Confident81 Ų8164.6 Ų64.640%0.39935%0.353SS..SBendtrans-105.4-0.6-177.3-59.9-90.554.100113I428 R430 R440I428-M442 PolarHBondContact O-N 3.11Å; R430-M442 HydrophobicContact CB-CG 3.68Å; R430-M442 HydrophobicContact CB-SD 3.77Å; R430-M442 HydrophobicContact CG-SD 4.43Å; R440-M442 HydrophobicContact CG-CE 4.28Å
443K86.6Confident83.6Confident50 Ų5065.6 Ų65.622%0.21736%0.36CS..SBendtrans-144.3150.7178.4-72.4172.2179.4167.50108.6L426 N427 I428 E447 I448 Q452L426-K443 PolarHBondContact O-NZ 3.16Å; N427-K443 VanDerWaalsContact O-CD 3.29Å; N427-K443 WeakPolarHBondContact O-CD 3.13Å; N427-K443 WeakPolarHBondContact O-CE 3.37Å; N427-K443 WeakPolarHBondContact O-CG 3.28Å; I428-K443 HydrophobicContact CG1-CD 4.16Å; K443-E447 VanDerWaalsContact CA-OE2 3.3Å; K443-E447 WeakPolarHBondContact CA-OE2 3.18Å; K443-E447 HydrophobicContact CB-CB 3.95Å; K443-E447 WeakPolarHBondContact CB-OE2 3.48Å; K443-E447 HydrophobicContact CG-CB 4.31Å; K443-I448 HydrophobicContact CB-CD1 4.16Å; K443-I448 HydrophobicContact CB-CG1 3.62Å; K443-I448 HydrophobicContact CD-CG1 4.08Å; K443-Q452 VanDerWaalsContact NZ-OE1 3.11Å
444T84.7Confident81.8Confident55 Ų5567.8 Ų67.834%0.33736%0.362SS..  trans-70160.5165.758.10000111.6D446 E447 I448T444-D446 PolarHBondContact O-N 3.15Å; T444-E447 WeakPolarHBondContact CB-OE1 3.32Å; T444-E447 VanDerWaalsContact CG2-OE1 3.28Å; T444-E447 WeakPolarHBondContact CG2-OE1 3.26Å; T444-E447 PolarHBondContact N-OE1 2.61Å; T444-E447 VanDerWaalsContact N-OE1 3.12Å; T444-E447 PolarHBondContact O-N 3.18Å; T444-E447 VanDerWaalsContact OG1-CG 3.29Å; T444-E447 WeakPolarHBondContact OG1-CG 3.42Å; T444-E447 PolarHBondContact OG1-N 2.92Å; T444-E447 PolarHBondContact OG1-OE1 2.88Å; T444-I448 WeakPolarHBondContact O-CD1 3.41Å; T444-I448 VanDerWaalsContact O-CG1 3.28Å; T444-I448 WeakPolarHBondContact O-CG1 3.24Å; T444-I448 PolarHBondContact O-N 3.08Å; T444-I448 VanDerWaalsContact O-N 3.16Å
445P82.3Confident80.6Confident25 Ų2572 Ų7216%0.16235%0.35CS..Hα-helixtrans-50.8-44173.2-28.537.1000112.8W364 Y368 E447 I448 M449W364-P445 HydrophobicContact CZ3-CB 4.14Å; Y368-P445 HydrophobicContact CD1-CG 3.87Å; Y368-P445 HydrophobicContact CD2-CG 4.02Å; Y368-P445 HydrophobicContact CE1-CG 3.62Å; Y368-P445 HydrophobicContact CE2-CG 3.76Å; Y368-P445 HydrophobicContact CG-CG 4.07Å; P445-E447 PolarHBondContact O-N 3.43Å; P445-I448 PolarHBondContact O-N 2.62Å; P445-I448 VanDerWaalsContact O-N 3.14Å; P445-M449 VanDerWaalsContact O-CG 3.32Å; P445-M449 WeakPolarHBondContact O-CG 3.48Å; P445-M449 PolarHBondContact O-N 2.81Å
446D78.4Confident79.3Confident66 Ų6668 Ų6835%0.35333%0.332SS..Hα-helixtrans-58.1-46.9178.6-50.6-103.3000112.4T444 I448 M449 N450T444-D446 PolarHBondContact O-N 3.15Å; D446-I448 VanDerWaalsContact C-N 3.3Å; D446-I448 PolarHBondContact O-N 3.27Å; D446-M449 PolarHBondContact O-N 2.96Å; D446-N450 VanDerWaalsContact O-CB 3.29Å; D446-N450 WeakPolarHBondContact O-CB 3.34Å; D446-N450 PolarHBondContact O-N 2.89Å; D446-N450 PolarHBondContact O-ND2 3.46Å
447E81.6Confident77.8Confident102 Ų10260.8 Ų60.848%0.47731%0.307SS..Hα-helixtrans-63.1-33.6176-73.2159.8-118.800113.2K443 T444 P445K443-E447 VanDerWaalsContact CA-OE2 3.3Å; K443-E447 WeakPolarHBondContact CA-OE2 3.18Å; K443-E447 HydrophobicContact CB-CB 3.95Å; K443-E447 WeakPolarHBondContact CB-OE2 3.48Å; K443-E447 HydrophobicContact CG-CB 4.31Å; T444-E447 WeakPolarHBondContact CB-OE1 3.32Å; T444-E447 VanDerWaalsContact CG2-OE1 3.28Å; T444-E447 WeakPolarHBondContact CG2-OE1 3.26Å; T444-E447 PolarHBondContact N-OE1 2.61Å; T444-E447 VanDerWaalsContact N-OE1 3.12Å; T444-E447 PolarHBondContact O-N 3.18Å; T444-E447 VanDerWaalsContact OG1-CG 3.29Å; T444-E447 WeakPolarHBondContact OG1-CG 3.42Å; T444-E447 PolarHBondContact OG1-N 2.92Å; T444-E447 PolarHBondContact OG1-OE1 2.88Å; P445-E447 PolarHBondContact O-N 3.43Å
448I80.2Confident76.1Confident2 Ų265 Ų651%0.0133%0.325CS..Hα-helixtrans-73.3-46.5179-57.8157.7000109.5W364 I428 F441 K443 T444 P445 D446 Q452W364-I448 HydrophobicContact CD2-CD1 4.11Å; W364-I448 HydrophobicContact CD2-CG2 3.87Å; W364-I448 VanDerWaalsContact CE2-CG2 3.42Å; W364-I448 HydrophobicContact CE3-CB 4.5Å; W364-I448 HydrophobicContact CE3-CD1 3.57Å; W364-I448 HydrophobicContact CE3-CG2 4.27Å; W364-I448 HydrophobicContact CH2-CB 3.98Å; W364-I448 HydrophobicContact CH2-CD1 4.37Å; W364-I448 HydrophobicContact CH2-CG2 3.94Å; W364-I448 HydrophobicContact CZ2-CB 4.03Å; W364-I448 HydrophobicContact CZ2-CG2 3.47Å; W364-I448 VanDerWaalsContact CZ2-CG2 3.47Å; W364-I448 HydrophobicContact CZ3-CB 4.21Å; W364-I448 HydrophobicContact CZ3-CD1 3.73Å; W364-I448 HydrophobicContact CZ3-CG2 4.3Å; I428-I448 HydrophobicContact CD1-CG2 3.91Å; I428-I448 HydrophobicContact CG1-CG1 4.29Å; I428-I448 HydrophobicContact CG1-CG2 4.24Å; I428-I448 HydrophobicContact CG2-CD1 3.69Å; I428-I448 HydrophobicContact CG2-CG1 4Å; I428-I448 HydrophobicContact CG2-CG2 4.28Å; F441-I448 HydrophobicContact CD1-CD1 4.39Å; K443-I448 HydrophobicContact CB-CD1 4.16Å; K443-I448 HydrophobicContact CB-CG1 3.62Å; K443-I448 HydrophobicContact CD-CG1 4.08Å; T444-I448 WeakPolarHBondContact O-CD1 3.41Å; T444-I448 VanDerWaalsContact O-CG1 3.28Å; T444-I448 WeakPolarHBondContact O-CG1 3.24Å; T444-I448 PolarHBondContact O-N 3.08Å; T444-I448 VanDerWaalsContact O-N 3.16Å; P445-I448 PolarHBondContact O-N 2.62Å; P445-I448 VanDerWaalsContact O-N 3.14Å; D446-I448 VanDerWaalsContact C-N 3.3Å; D446-I448 PolarHBondContact O-N 3.27Å; I448-Q452 PolarHBondContact O-N 3.4Å
449M73.8Confident74.3Confident81 Ų8166.8 Ų66.840%0.39934%0.335SS..Hα-helixtrans-62.4-43.8-179.2-71178.874.400112.5W364 P445 D446 G451 T453W364-M449 HydrophobicContact CH2-CG 3.88Å; W364-M449 HydrophobicContact CZ2-CG 4.25Å; P445-M449 VanDerWaalsContact O-CG 3.32Å; P445-M449 WeakPolarHBondContact O-CG 3.48Å; P445-M449 PolarHBondContact O-N 2.81Å; D446-M449 PolarHBondContact O-N 2.96Å; M449-G451 VanDerWaalsContact C-N 3.31Å; M449-G451 PolarHBondContact O-N 2.88Å; M449-T453 VanDerWaalsContact CA-OG1 3.3Å; M449-T453 WeakPolarHBondContact CA-OG1 3.49Å; M449-T453 PolarHBondContact O-OG1 3.2Å
450N66.3Low72.6Confident142 Ų14267.3 Ų67.376%0.75934%0.337SS*.Hα-helixtrans-74.7-15.3-173.9-70.4-30000114.4D446D446-N450 VanDerWaalsContact O-CB 3.29Å; D446-N450 WeakPolarHBondContact O-CB 3.34Å; D446-N450 PolarHBondContact O-N 2.89Å; D446-N450 PolarHBondContact O-ND2 3.46Å
451G58.1Low70.9Confident57 Ų5766.9 Ų66.959%0.58835%0.345SS*.Hα-helixtrans-110.6-38.6-170.300000116.8M449M449-G451 VanDerWaalsContact C-N 3.31Å; M449-G451 PolarHBondContact O-N 2.88Å
452Q56.8Low69.1Low58 Ų5869.5 Ų69.527%0.27136%0.36SS..Hα-helixtrans-143.25.9-160.7-56.9-170.8-81.600116K443 I448 E454 R455 L456K443-Q452 VanDerWaalsContact NZ-OE1 3.11Å; I448-Q452 PolarHBondContact O-N 3.4Å; Q452-E454 PolarHBondContact O-N 3.32Å; Q452-R455 WeakPolarHBondContact O-CA 3.45Å; Q452-R455 WeakPolarHBondContact O-CB 3.33Å; Q452-R455 PolarHBondContact O-N 2.98Å; Q452-L456 HydrophobicContact CB-CD1 3.68Å; Q452-L456 WeakPolarHBondContact O-CD1 3.43Å; Q452-L456 PolarHBondContact O-N 3.33Å
453T61Low67.5Low41 Ų4166.8 Ų66.825%0.25235%0.347SS..Hα-helixtrans-55.8-52.9-166.4-54.50000115M449 R455 L456 E457M449-T453 VanDerWaalsContact CA-OG1 3.3Å; M449-T453 WeakPolarHBondContact CA-OG1 3.49Å; M449-T453 PolarHBondContact O-OG1 3.2Å; T453-R455 PolarHBondContact O-N 3.5Å; T453-L456 PolarHBondContact O-N 3.48Å; T453-E457 PolarHBondContact O-N 3.07Å
454E55.9Low66.2Low141 Ų14165.3 Ų65.366%0.65934%0.342SS*.Hα-helixtrans-61.7-28.6179.6-67.1-167.1147.700112.3K123 Q452 H458K123-E454 IonicContact NZ-OE1 2.75Å; Q452-E454 PolarHBondContact O-N 3.32Å; E454-H458 PolarHBondContact O-N 2.91Å
455R63.8Low65Low180 Ų18068.9 Ų68.968%0.67936%0.355SS*.Hα-helixtrans-75.7-29.3174.5-169.1175.8-177.8123.53.8112.6Q452 T453 L459Q452-R455 WeakPolarHBondContact O-CA 3.45Å; Q452-R455 WeakPolarHBondContact O-CB 3.33Å; Q452-R455 PolarHBondContact O-N 2.98Å; T453-R455 PolarHBondContact O-N 3.5Å; R455-L459 HydrophobicContact CG-CD1 4.44Å; R455-L459 WeakPolarHBondContact O-CD1 3.43Å; R455-L459 VanDerWaalsContact O-CG 3.27Å; R455-L459 WeakPolarHBondContact O-CG 3.47Å; R455-L459 PolarHBondContact O-N 3.36Å
456L65.9Low63.7Low3 Ų374.6 Ų74.62%0.01638%0.379CS..Hα-helixtrans-75-39.8171.4-9079.5000112.1L362 Y423 L426 I428 Q452 T453 H458 L459 D460L362-L456 HydrophobicContact CD1-CB 3.67Å; L362-L456 HydrophobicContact CD1-CD2 4.06Å; L362-L456 HydrophobicContact CD2-CB 4.04Å; Y423-L456 HydrophobicContact CD1-CD2 4.12Å; Y423-L456 HydrophobicContact CE1-CD2 3.75Å; Y423-L456 HydrophobicContact CE1-CG 4.48Å; L426-L456 HydrophobicContact CD1-CD1 3.96Å; L426-L456 HydrophobicContact CD1-CG 4.12Å; I428-L456 HydrophobicContact CD1-CD1 3.98Å; I428-L456 HydrophobicContact CD1-CD2 3.65Å; I428-L456 HydrophobicContact CD1-CG 4.38Å; Q452-L456 HydrophobicContact CB-CD1 3.68Å; Q452-L456 WeakPolarHBondContact O-CD1 3.43Å; Q452-L456 PolarHBondContact O-N 3.33Å; T453-L456 PolarHBondContact O-N 3.48Å; L456-H458 VanDerWaalsContact C-N 3.27Å; L456-H458 PolarHBondContact O-N 3.49Å; L456-L459 PolarHBondContact O-N 2.96Å; L456-L459 VanDerWaalsContact O-N 3.09Å; L456-D460 PolarHBondContact O-N 3.35Å
457E62.9Low62.7Low60 Ų6072.9 Ų72.928%0.2837%0.37SS..Hα-helixtrans-61.2-34.7179.4-71.1-166.817600112.6R361 L362 T453 S461R361-E457 WeakPolarHBondContact CD-OE1 3.47Å; R361-E457 IonicContact CZ-OE1 3.96Å; R361-E457 IonicContact CZ-OE2 2.63Å; R361-E457 IonicContact NE-OE1 3.18Å; R361-E457 IonicContact NH1-OE1 3.93Å; R361-E457 PolarHBondContact NH1-OE1 2.92Å; R361-E457 IonicContact NH1-OE2 3.94Å; R361-E457 PolarHBondContact NH1-OE2 2.81Å; L362-E457 HydrophobicContact CD1-CG 4.42Å; L362-E457 HydrophobicContact CD2-CG 4.26Å; L362-E457 HydrophobicContact CG-CG 4.5Å; T453-E457 PolarHBondContact O-N 3.07Å; E457-S461 WeakPolarHBondContact O-CB 3.44Å; E457-S461 PolarHBondContact O-N 3.42Å; E457-S461 PolarHBondContact O-OG 2.85Å
458H60.2Low61.3Low129 Ų12975.1 Ų75.160%0.59738%0.375SS*.Hα-helixtrans-67.6-46.8170.4-123.681.5000111.8E454 L456 D460 S461 D462E454-H458 PolarHBondContact O-N 2.91Å; L456-H458 VanDerWaalsContact C-N 3.27Å; L456-H458 PolarHBondContact O-N 3.49Å; H458-D460 PolarHBondContact O-N 3.23Å; H458-S461 CarbonylContact O-C 3.5Å; H458-S461 WeakPolarHBondContact O-CA 3.38Å; H458-S461 VanDerWaalsContact O-CB 3.29Å; H458-S461 WeakPolarHBondContact O-CB 3.43Å; H458-S461 PolarHBondContact O-N 2.88Å; H458-D462 IonicContact CD2-OD1 3.55Å; H458-D462 VanDerWaalsContact O-CG 3.27Å; H458-D462 PolarHBondContact O-N 2.92Å
459L60.3Low60.1Low52 Ų5280.2 Ų80.227%0.27240%0.401SS..Hα-helixtrans-69-35.2-174.8-71.2169.9000114.2R455 L456 S461 T463R455-L459 HydrophobicContact CG-CD1 4.44Å; R455-L459 WeakPolarHBondContact O-CD1 3.43Å; R455-L459 VanDerWaalsContact O-CG 3.27Å; R455-L459 WeakPolarHBondContact O-CG 3.47Å; R455-L459 PolarHBondContact O-N 3.36Å; L456-L459 PolarHBondContact O-N 2.96Å; L456-L459 VanDerWaalsContact O-N 3.09Å; L459-S461 VanDerWaalsContact C-N 3.3Å; L459-T463 WeakPolarHBondContact O-CB 3.37Å; L459-T463 PolarHBondContact O-N 3.05Å; L459-T463 VanDerWaalsContact O-N 3.13Å; L459-T463 PolarHBondContact O-OG1 3.38Å
460D61.6Low58.9Low12 Ų1284.6 Ų84.66%0.06442%0.418CS..Hα-helixtrans-69.4-31170.8-92.13000110.5L362 L363 A419 Y423 L456 H458 D464L362-D460 HydrophobicContact CD2-CB 3.95Å; L362-D460 VanDerWaalsContact CD2-OD2 3.3Å; L362-D460 WeakPolarHBondContact CD2-OD2 3.42Å; L363-D460 PolarHBondContact N-OD2 2.75Å; A419-D460 WeakPolarHBondContact CB-OD1 3.29Å; Y423-D460 PolarHBondContact OH-OD1 2.91Å; Y423-D460 PolarHBondContact OH-OD2 3.38Å; L456-D460 PolarHBondContact O-N 3.35Å; H458-D460 PolarHBondContact O-N 3.23Å; D460-D464 VanDerWaalsContact O-CB 3.25Å; D460-D464 WeakPolarHBondContact O-CB 3.27Å; D460-D464 PolarHBondContact O-N 2.96Å
461S60Low58.2Low61 Ų6183.1 Ų83.143%0.42741%0.406SS..Hα-helixtrans-68.8-49172.7-58.50000112.8E457 H458 L459 T463 D464 E465E457-S461 WeakPolarHBondContact O-CB 3.44Å; E457-S461 PolarHBondContact O-N 3.42Å; E457-S461 PolarHBondContact O-OG 2.85Å; H458-S461 CarbonylContact O-C 3.5Å; H458-S461 WeakPolarHBondContact O-CA 3.38Å; H458-S461 VanDerWaalsContact O-CB 3.29Å; H458-S461 WeakPolarHBondContact O-CB 3.43Å; H458-S461 PolarHBondContact O-N 2.88Å; L459-S461 VanDerWaalsContact C-N 3.3Å; S461-T463 PolarHBondContact O-N 3.49Å; S461-D464 CarbonylContact O-C 3.48Å; S461-D464 WeakPolarHBondContact O-CA 3.22Å; S461-D464 WeakPolarHBondContact O-CB 3.39Å; S461-D464 PolarHBondContact O-N 2.94Å; S461-E465 PolarHBondContact O-N 2.93Å
462D57.4Low57.6Low62 Ų6287.4 Ų87.433%0.33241%0.411SS..Hα-helixtrans-56.2-40.3175.5-60.7-22.6000111.1H458 Q466H458-D462 IonicContact CD2-OD1 3.55Å; H458-D462 VanDerWaalsContact O-CG 3.27Å; H458-D462 PolarHBondContact O-N 2.92Å; D462-Q466 WeakPolarHBondContact O-CG 3.45Å; D462-Q466 PolarHBondContact O-N 3.26Å
463T60.2Low56.6Low23 Ų2393 Ų9314%0.14146%0.455CS..Hα-helixtrans-67.7-41.2175.5-56.20000111R418 L459 S461 E465 I467R418-T463 HydrophobicContact CB-CG2 4.16Å; L459-T463 WeakPolarHBondContact O-CB 3.37Å; L459-T463 PolarHBondContact O-N 3.05Å; L459-T463 VanDerWaalsContact O-N 3.13Å; L459-T463 PolarHBondContact O-OG1 3.38Å; S461-T463 PolarHBondContact O-N 3.49Å; T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 PolarHBondContact O-N 2.71Å; T463-I467 HydrophobicContact CG2-CD1 3.95Å; T463-I467 WeakPolarHBondContact O-CB 3.47Å; T463-I467 WeakPolarHBondContact O-CD1 3.29Å; T463-I467 WeakPolarHBondContact O-CG1 3.46Å; T463-I467 PolarHBondContact O-N 2.9Å
464D59.5Low56.4Low20 Ų2095.7 Ų95.711%0.10747%0.465CS..Hα-helixtrans-66.6-29.5177.5-96-20.3000113.3K406 R408 D460 S461 Y468K406-D464 WeakPolarHBondContact CE-OD2 3.27Å; K406-D464 IonicContact NZ-OD2 2.79Å; K406-D464 PolarHBondContact NZ-OD2 3.38Å; R408-D464 IonicContact CZ-OD1 3.71Å; R408-D464 IonicContact CZ-OD2 3.5Å; R408-D464 IonicContact NE-OD1 3.7Å; R408-D464 PolarHBondContact NE-OD1 2.95Å; R408-D464 IonicContact NE-OD2 3.99Å; R408-D464 VanDerWaalsContact NH1-CA 3.34Å; R408-D464 PolarHBondContact NH1-O 2.87Å; R408-D464 IonicContact NH1-OD1 2.61Å; R408-D464 PolarHBondContact NH1-OD1 2.98Å; R408-D464 PolarHBondContact NH2-O 3.39Å; R408-D464 IonicContact NH2-OD1 3.14Å; D460-D464 VanDerWaalsContact O-CB 3.25Å; D460-D464 WeakPolarHBondContact O-CB 3.27Å; D460-D464 PolarHBondContact O-N 2.96Å; S461-D464 CarbonylContact O-C 3.48Å; S461-D464 WeakPolarHBondContact O-CA 3.22Å; S461-D464 WeakPolarHBondContact O-CB 3.39Å; S461-D464 PolarHBondContact O-N 2.94Å; D464-Y468 PolarHBondContact O-N 2.91Å
465E59.7Low56.4Low129 Ų12993.3 Ų93.360%0.60346%0.455SS*.Hα-helixtrans-77.3-47.8172.6-71.3-164.8145.900112.3S461 T463 I467 Y468 I469S461-E465 PolarHBondContact O-N 2.93Å; T463-E465 VanDerWaalsContact C-N 3.33Å; T463-E465 PolarHBondContact O-N 2.71Å; E465-I467 PolarHBondContact O-N 2.72Å; E465-Y468 WeakPolarHBondContact O-CA 3.4Å; E465-Y468 WeakPolarHBondContact O-CB 3.31Å; E465-Y468 PolarHBondContact O-N 3.4Å; E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 3.11Å
466Q54.9Low56Low146 Ų14688.4 Ų88.468%0.68244%0.443SS*.Hα-helixtrans-60.7-28.5176.5-73178.932.700112.8D462D462-Q466 WeakPolarHBondContact O-CG 3.45Å; D462-Q466 PolarHBondContact O-N 3.26Å
467I57.2Low55.4Low30 Ų3093.5 Ų93.515%0.15447%0.468CS..Hα-helixtrans-70.3-37.2170.7-74.3166.5000111.7K415 T463 E465K415-I467 HydrophobicContact CB-CD1 4.1Å; K415-I467 HydrophobicContact CD-CG2 3.95Å; K415-I467 HydrophobicContact CG-CD1 4.46Å; T463-I467 HydrophobicContact CG2-CD1 3.95Å; T463-I467 WeakPolarHBondContact O-CB 3.47Å; T463-I467 WeakPolarHBondContact O-CD1 3.29Å; T463-I467 WeakPolarHBondContact O-CG1 3.46Å; T463-I467 PolarHBondContact O-N 2.9Å; E465-I467 PolarHBondContact O-N 2.72Å
468Y52.8Low54.9Low149 Ų14995.6 Ų95.658%0.58448%0.479SS*.Hα-helixtrans-74.2-48.7-176.9-165.9-82.9000111.7D464 E465 K470 E471D464-Y468 PolarHBondContact O-N 2.91Å; E465-Y468 WeakPolarHBondContact O-CA 3.4Å; E465-Y468 WeakPolarHBondContact O-CB 3.31Å; E465-Y468 PolarHBondContact O-N 3.4Å; Y468-K470 PolarHBondContact O-N 2.8Å; Y468-E471 PolarHBondContact O-N 3.19Å
469I55.1Low54.6Low109 Ų10993.3 Ų93.356%0.55947%0.472SS*.Hα-helixtrans-55.5-29.1178.1-64.1163.6000111.5E465E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 3.11Å
470K48.4Very low54.2Low173 Ų17396.3 Ų96.375%0.75249%0.486SS*.THydrogen-bonded Turntrans-85.9-1179-171.4155.9-177164.90115.1Y468Y468-K470 PolarHBondContact O-N 2.8Å
471E50.8Low53.6Low110 Ų110102.8 Ų102.851%0.51452%0.518SS..THydrogen-bonded Turntrans-100.51.7167.5-58.3-154140.300112.8N410 K415 Y468N410-E471 WeakPolarHBondContact CB-OE2 3.12Å; N410-E471 PolarHBondContact ND2-OE2 3.17Å; K415-E471 VanDerWaalsContact NZ-CD 3.33Å; K415-E471 IonicContact NZ-OE1 2.72Å; K415-E471 PolarHBondContact NZ-OE1 3.46Å; K415-E471 IonicContact NZ-OE2 2.69Å; Y468-E471 PolarHBondContact O-N 3.19Å
472E46.3Very low53.1Low147 Ų147106.3 Ų106.369%0.68753%0.526SS*.  trans-11515.8-177.4-151.2170.2168.200112.9
473C34.9Very low52.7Low177 Ų177110.3 Ų110.3100%1.19654%0.544SS*.  trans-144.20-178.5-73.20000112

Retrieved 473 of 473 residues in 71.6 ms (Link to these results)