A0A087YBS2_POEFO Loading...

AT-rich interactive domain-containing protein 3

Transcription factor.

AlphaFold DB , UniProt , Accession A0A087YBS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low37.5Very low229 Ų229144.2 Ų144.2100%1.12883%0.829SS**  01180-69.2-179.578.900107.6
2V38Very low36.9Very low115 Ų115145.3 Ų145.370%0.69783%0.825SS**  cis-148.7114.7-7.8-82.70000105.5
3D38.2Very low37.9Very low148 Ų148139.8 Ų139.879%0.79180%0.798SS**  95.1150.889.5-78.2-68.7000113.8
4N36.8Very low37.7Very low164 Ų164138.4 Ų138.488%0.87780%0.801SS**  trans65.5121.7-172.6-152.24.7000115.7
5S41.3Very low37.4Very low120 Ų120138.1 Ų138.184%0.83979%0.792SS**  trans-102.7143.2-165.6-58.90000113.5
6S38.1Very low37.2Very low118 Ų118136.4 Ų136.483%0.82579%0.791SS**  trans-143.5165.3-179.3-176.20000111.6
7S39.1Very low37Very low97 Ų97139.9 Ų139.968%0.67880%0.798SS**  trans86.5110.6155.1-145.40000119.7
8S37.1Very low36.7Very low112 Ų112141.3 Ų141.378%0.78380%0.797SS**  47.6129.6117.9-35.60000121.1
9K34.5Very low37.1Very low212 Ų212140.2 Ų140.292%0.92280%0.795SS**  -167.1161.5101.9-154.2160.2178.5177.10111
10A37.8Very low36.6Very low88 Ų88136.1 Ų136.173%0.72779%0.786SS**  trans-110.6159.6-177.400000112.7
11Q30.2Very low36.5Very low183 Ų183136.8 Ų136.886%0.85579%0.792SS**  trans-157.1117.4157.4-145.3151.2-28.400116.6
12M30.6Very low36.1Very low158 Ų158130.8 Ų130.878%0.77878%0.779SS**  trans57.5148142.3-60.3-63.4-8000124.4
13P50.7Low35.8Very low73 Ų73135.1 Ų135.147%0.47479%0.789SS.*  trans-98.9177.516941.2-36.2000113.7T592P13-T592 HydrophobicContact CG-CG2 4.11Å
14S34Very low36.1Very low120 Ų120134 Ų13484%0.83979%0.789SS**  trans-140171.1170.3-1660000112.2
15M33.4Very low36Very low135 Ų135135.1 Ų135.167%0.66579%0.789SS**  trans-134.6159-164.1-55.4-173.773.300115
16S35.2Very low36.1Very low110 Ų110135 Ų13577%0.76979%0.788SS**  trans62.1119.2149.6-57.20000121.4
17Q32.4Very low36.2Very low196 Ų196136 Ų13692%0.91679%0.79SS**  trans-152.7126.3134.9-159.3145.186.200112.7
18E32.8Very low36.3Very low166 Ų166136.8 Ų136.878%0.77680%0.795SS**  trans-108.5173.1160.7-106.2-88.7116.500106.3
19P43.4Very low36.9Very low119 Ų119138.8 Ų138.877%0.77380%0.803SS**  cis-137.217718.341.4-22.7000117.4
20G28.2Very low37.7Very low59 Ų59132 Ų13261%0.60879%0.793SS**  trans-166.546.2-179.800000120.8
21V34.3Very low38.2Very low151 Ų151131.2 Ų131.292%0.91579%0.794SS**  trans10.3114.3161.4-74.30000121.3
22A32.4Very low39.9Very low102 Ų102130.1 Ų130.184%0.84379%0.79SS**  trans-160.6160.4152.400000113
23F32Very low41.9Very low207 Ų207129.4 Ų129.491%0.90878%0.783SS**  trans-79.8157.2179.1-91.9-109.1000113.5
24P43.9Very low43.1Very low124 Ų124132.1 Ų132.181%0.80579%0.793SS**  trans-74.4134.2175.731.1-34.8000112.2
25Q35.6Very low45.1Very low187 Ų187132.2 Ų132.287%0.87478%0.78SS**  trans-105.8132.3171.9-164.8174.325.600110.6T27Q25-T27 PolarHBondContact O-N 3.42Å
26S43.3Very low47.6Very low117 Ų117128.2 Ų128.282%0.81877%0.769SS**  trans-75.2119.6-178.1520000112.4S28S26-S28 PolarHBondContact O-N 3.06Å
27T39.8Very low49.9Very low140 Ų140126.3 Ų126.386%0.85975%0.752SS**  trans-87106.3172.440.70000111.4Q25 T29Q25-T27 PolarHBondContact O-N 3.42Å; T27-T29 PolarHBondContact O-N 3.2Å
28S40.1Very low52.4Low113 Ų113122.9 Ų122.979%0.7974%0.738SS**  trans-67.3125.9174.3175.90000111.6S26 G30S26-S28 PolarHBondContact O-N 3.06Å; S28-G30 PolarHBondContact O-N 3Å
29T50.6Low55.1Low155 Ų155120.3 Ų120.395%0.95173%0.726SS**  trans-80.458.6173.241.30000112.1T27T27-T29 PolarHBondContact O-N 3.2Å
30G50.3Low57.4Low68 Ų68120.7 Ų120.770%0.70172%0.717SS**  trans-112.8101.1-178.400000113.3S28S28-G30 PolarHBondContact O-N 3Å
31G48.7Very low60.4Low73 Ų73122.1 Ų122.175%0.75371%0.71SS**  trans16560.5176.500000116K33G31-K33 PolarHBondContact O-N 3.32Å
32M66.6Low63.2Low159 Ų159120.6 Ų120.678%0.78369%0.693SS**  trans-68.4119165-72.6-172.8175.400109.4L34 V37M32-L34 PolarHBondContact O-N 3.33Å; M32-V37 HydrophobicContact CB-CG2 4.1Å
33K72.8Confident66.1Low144 Ų144123.6 Ų123.663%0.62668%0.683SS**  trans-57.1130.2-178.9-162.6-173-176.6-158.10109.6G31 E35 A36 V37G31-K33 PolarHBondContact O-N 3.32Å; K33-E35 HydrophobicContact CD-CB 4.49Å; K33-E35 WeakPolarHBondContact CD-OE2 3.44Å; K33-E35 VanDerWaalsContact CE-OE2 3.25Å; K33-E35 WeakPolarHBondContact CE-OE2 3.49Å; K33-E35 HydrophobicContact CG-CB 4.48Å; K33-E35 IonicContact NZ-OE2 2.89Å; K33-E35 PolarHBondContact NZ-OE2 3.21Å; K33-E35 PolarHBondContact O-N 3.41Å; K33-A36 WeakPolarHBondContact O-CB 3.49Å; K33-A36 PolarHBondContact O-N 3.05Å; K33-V37 PolarHBondContact O-N 2.99Å
34L76.3Confident68.9Low129 Ų129119.8 Ų119.868%0.67567%0.668SS**Hα-helixtrans-50.5-38.3-172.9-179.762.1000113.6M32 A36 V37 M38M32-L34 PolarHBondContact O-N 3.33Å; L34-A36 PolarHBondContact O-N 3.41Å; L34-V37 WeakPolarHBondContact O-CB 3.38Å; L34-V37 PolarHBondContact O-N 2.93Å; L34-V37 VanDerWaalsContact O-N 3.14Å; L34-M38 HydrophobicContact CG-SD 4.4Å; L34-M38 WeakPolarHBondContact O-CG 3.44Å; L34-M38 PolarHBondContact O-N 3.3Å
35E76.1Confident71.1Confident122 Ų122119.3 Ų119.357%0.5766%0.655SS**Hα-helixtrans-52.4-46.7173.4-175.4174.8-139.200113.3K33 M38 E39K33-E35 HydrophobicContact CD-CB 4.49Å; K33-E35 WeakPolarHBondContact CD-OE2 3.44Å; K33-E35 VanDerWaalsContact CE-OE2 3.25Å; K33-E35 WeakPolarHBondContact CE-OE2 3.49Å; K33-E35 HydrophobicContact CG-CB 4.48Å; K33-E35 IonicContact NZ-OE2 2.89Å; K33-E35 PolarHBondContact NZ-OE2 3.21Å; K33-E35 PolarHBondContact O-N 3.41Å; E35-M38 PolarHBondContact O-N 2.94Å; E35-E39 PolarHBondContact O-N 3.27Å
36A84Confident73.8Confident52 Ų52115.9 Ų115.943%0.4364%0.639SS.*Hα-helixtrans-70.3-31.9177.800000112.2K33 L34 Q40K33-A36 WeakPolarHBondContact O-CB 3.49Å; K33-A36 PolarHBondContact O-N 3.05Å; L34-A36 PolarHBondContact O-N 3.41Å; A36-Q40 WeakPolarHBondContact O-CB 3.31Å; A36-Q40 PolarHBondContact O-N 3.29Å
37V83.6Confident76.1Confident70 Ų70112.9 Ų112.942%0.42462%0.621SS.*Hα-helixtrans-67.3-39.7173.7-176.80000110.5M32 K33 L34 L41M32-V37 HydrophobicContact CB-CG2 4.1Å; K33-V37 PolarHBondContact O-N 2.99Å; L34-V37 WeakPolarHBondContact O-CB 3.38Å; L34-V37 PolarHBondContact O-N 2.93Å; L34-V37 VanDerWaalsContact O-N 3.14Å; V37-L41 VanDerWaalsContact O-CB 3.3Å; V37-L41 WeakPolarHBondContact O-CB 3.24Å; V37-L41 PolarHBondContact O-N 3.25Å
38M85.7Confident78.4Confident124 Ų124114.9 Ų114.961%0.61161%0.613SS**Hα-helixtrans-66.8-45.5174.8-70.6179.264.900112.2L34 E35 L41 Q42L34-M38 HydrophobicContact CG-SD 4.4Å; L34-M38 WeakPolarHBondContact O-CG 3.44Å; L34-M38 PolarHBondContact O-N 3.3Å; E35-M38 PolarHBondContact O-N 2.94Å; M38-L41 PolarHBondContact O-N 2.97Å; M38-Q42 WeakPolarHBondContact O-CB 3.47Å; M38-Q42 PolarHBondContact O-N 3.26Å
39E90.3Very high81Confident111 Ų111113.8 Ų113.852%0.51960%0.598SS.*Hα-helixtrans-61.2-46.5175.3-165.4-158.7139.400110.9E35 L41 Q42 R43E35-E39 PolarHBondContact O-N 3.27Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.13Å; E39-Q42 PolarHBondContact O-N 3.2Å; E39-R43 VanDerWaalsContact O-CB 3.23Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.45Å; E39-R43 IonicContact OE1-NH1 2.65Å; E39-R43 PolarHBondContact OE1-NH1 3.11Å
40Q90.7Very high83Confident127 Ų127111.6 Ų111.659%0.59358%0.576SS**Hα-helixtrans-63.2-37.9179.4-175.6168.6-24.100112.2A36 Q44A36-Q40 WeakPolarHBondContact O-CB 3.31Å; A36-Q40 PolarHBondContact O-N 3.29Å; Q40-Q44 VanDerWaalsContact O-CB 3.27Å; Q40-Q44 WeakPolarHBondContact O-CB 3.22Å; Q40-Q44 PolarHBondContact O-N 2.97Å
41L92.4Very high84.9Confident89 Ų89113.8 Ų113.847%0.46657%0.57SS.*Hα-helixtrans-67-44.1173.7-179.161.4000111.9V37 M38 E39 Q44 Q45V37-L41 VanDerWaalsContact O-CB 3.3Å; V37-L41 WeakPolarHBondContact O-CB 3.24Å; V37-L41 PolarHBondContact O-N 3.25Å; M38-L41 PolarHBondContact O-N 2.97Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.13Å; L41-Q44 PolarHBondContact O-N 3.08Å; L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.21Å
42Q93.2Very high86.9Confident120 Ų120114.5 Ų114.556%0.56155%0.554SS**Hα-helixtrans-63.1-43.1177.3-171175.825.400111.3M38 E39 Q44 Q45 Q46M38-Q42 WeakPolarHBondContact O-CB 3.47Å; M38-Q42 PolarHBondContact O-N 3.26Å; E39-Q42 PolarHBondContact O-N 3.2Å; Q42-Q44 VanDerWaalsContact C-N 3.34Å; Q42-Q44 PolarHBondContact O-N 3.26Å; Q42-Q45 PolarHBondContact O-N 3.23Å; Q42-Q46 WeakPolarHBondContact O-CG 3.39Å; Q42-Q46 PolarHBondContact O-N 3.38Å
43R92.4Very high88.3Confident165 Ų165115 Ų11562%0.62355%0.547SS*.Hα-helixtrans-65.3-36.1176-163.8172.8-169.8140.9-0.2112E39 Q46 A47E39-R43 VanDerWaalsContact O-CB 3.23Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.45Å; E39-R43 IonicContact OE1-NH1 2.65Å; E39-R43 PolarHBondContact OE1-NH1 3.11Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.1Å
44Q91.4Very high89.2Confident126 Ų126114 Ų11459%0.58954%0.542SS*.Hα-helixtrans-65.7-41.7172.4-173.8-177.59500111.9Q40 L41 Q42 A47 R48Q40-Q44 VanDerWaalsContact O-CB 3.27Å; Q40-Q44 WeakPolarHBondContact O-CB 3.22Å; Q40-Q44 PolarHBondContact O-N 2.97Å; L41-Q44 PolarHBondContact O-N 3.08Å; Q42-Q44 VanDerWaalsContact C-N 3.34Å; Q42-Q44 PolarHBondContact O-N 3.26Å; Q44-A47 PolarHBondContact O-N 2.94Å; Q44-R48 WeakPolarHBondContact O-CB 3.2Å; Q44-R48 PolarHBondContact O-N 3.18Å
45Q90.1Very high89.8Confident114 Ų114111.7 Ų111.753%0.53353%0.528SS..Hα-helixtrans-64.4-42.3174.4-69.7-179.922.100112L41 Q42 R48 L49L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.21Å; Q42-Q45 PolarHBondContact O-N 3.23Å; Q45-R48 PolarHBondContact O-N 3.03Å; Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.02Å
46Q90.9Very high90.5Very high116 Ų116112.8 Ų112.854%0.54253%0.527SS..Hα-helixtrans-61.9-47.2174.7-72.6173.7-6.700111.8Q42 R43 R48 L49 E50Q42-Q46 WeakPolarHBondContact O-CG 3.39Å; Q42-Q46 PolarHBondContact O-N 3.38Å; R43-Q46 PolarHBondContact O-N 3.14Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 3.29Å; Q46-L49 PolarHBondContact O-N 3.46Å; Q46-E50 PolarHBondContact O-N 2.93Å
47A91.6Very high91Very high53 Ų53117.4 Ų117.444%0.43854%0.537SS..Hα-helixtrans-60.8-37.8176.100000112.3R43 Q44 E50 M51R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.1Å; Q44-A47 PolarHBondContact O-N 2.94Å; A47-E50 PolarHBondContact O-N 3.48Å; A47-M51 VanDerWaalsContact O-CB 3.31Å; A47-M51 WeakPolarHBondContact O-CB 3.34Å; A47-M51 PolarHBondContact O-N 2.96Å
48R89.1Confident91.5Very high182 Ų182119.8 Ų119.869%0.68755%0.547SS*.Hα-helixtrans-63.1-46.3173.8-174.4-179.6176.2-158.3-2.9111.8Q44 Q45 Q46 E50 M51 E52Q44-R48 WeakPolarHBondContact O-CB 3.2Å; Q44-R48 PolarHBondContact O-N 3.18Å; Q45-R48 PolarHBondContact O-N 3.03Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 3.29Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 3.25Å; R48-M51 PolarHBondContact O-N 2.93Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 PolarHBondContact O-N 2.95Å
49L93.9Very high91.8Very high91 Ų91120.4 Ų120.448%0.47654%0.543SS..Hα-helixtrans-67.9-29.1177.8-72.2170000113.3Q45 Q46 R53Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.02Å; Q46-L49 PolarHBondContact O-N 3.46Å; L49-R53 PolarHBondContact O-N 3.39Å
50E92.8Very high91.9Very high108 Ų108119.6 Ų119.651%0.50554%0.539SS..Hα-helixtrans-73.5-42172.4-159.8-159.7154.800111.2Q46 A47 R48 R53 K54Q46-E50 PolarHBondContact O-N 2.93Å; A47-E50 PolarHBondContact O-N 3.48Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 3.25Å; E50-R53 PolarHBondContact O-N 2.89Å; E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 2.97Å; E50-K54 WeakPolarHBondContact OE1-CE 3.04Å; E50-K54 IonicContact OE1-NZ 2.64Å; E50-K54 PolarHBondContact OE1-NZ 3.48Å; E50-K54 IonicContact OE2-NZ 3.89Å
51M89.8Confident92.1Very high115 Ų115115.8 Ų115.857%0.56753%0.529SS*.Hα-helixtrans-64.1-42.8176-170.6-89.5-77.600111.4A47 R48 R53 K54 E55A47-M51 VanDerWaalsContact O-CB 3.31Å; A47-M51 WeakPolarHBondContact O-CB 3.34Å; A47-M51 PolarHBondContact O-N 2.96Å; R48-M51 PolarHBondContact O-N 2.93Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.7Å; M51-K54 WeakPolarHBondContact O-CB 3.46Å; M51-K54 PolarHBondContact O-N 2.87Å; M51-K54 VanDerWaalsContact O-N 3.11Å; M51-E55 PolarHBondContact O-N 3.37Å
52E92.1Very high92.1Very high87 Ų87117.9 Ų117.941%0.40754%0.536SS..Hα-helixtrans-60.8-39.3173.1-167.5-166.3143.200112R48 E55 R56R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 PolarHBondContact O-N 2.95Å; E52-E55 PolarHBondContact O-N 3.34Å; E52-R56 WeakPolarHBondContact O-CB 3.24Å; E52-R56 PolarHBondContact O-N 2.93Å; E52-R56 IonicContact OE1-NH2 3.29Å
53R94.3Very high92.1Very high169 Ų169117.6 Ų117.664%0.63854%0.537SS*.Hα-helixtrans-65.3-37.4173-85.5-175.6170.282-3.6112.9L49 E50 M51 K57L49-R53 PolarHBondContact O-N 3.39Å; E50-R53 PolarHBondContact O-N 2.89Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.7Å; R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.71Å; R53-K57 VanDerWaalsContact O-N 3.15Å
54K91.8Very high92Very high124 Ų124115.5 Ų115.554%0.53954%0.536SS..Hα-helixtrans-67.8-43.1174.9-72.1169.8-175.8168.60111E50 M51 K57 L58E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 2.97Å; E50-K54 WeakPolarHBondContact OE1-CE 3.04Å; E50-K54 IonicContact OE1-NZ 2.64Å; E50-K54 PolarHBondContact OE1-NZ 3.48Å; E50-K54 IonicContact OE2-NZ 3.89Å; M51-K54 WeakPolarHBondContact O-CB 3.46Å; M51-K54 PolarHBondContact O-N 2.87Å; M51-K54 VanDerWaalsContact O-N 3.11Å; K54-K57 PolarHBondContact O-N 3.12Å; K54-L58 WeakPolarHBondContact O-CB 3.46Å; K54-L58 PolarHBondContact O-N 2.93Å
55E89.3Confident92.1Very high81 Ų81116.5 Ų116.538%0.37954%0.536SS..Hα-helixtrans-63.5-44.9176.2-164.6-169.8-178.400111.5M51 E52 K57 L58 R59M51-E55 PolarHBondContact O-N 3.37Å; E52-E55 PolarHBondContact O-N 3.34Å; E55-K57 PolarHBondContact O-N 3.39Å; E55-L58 WeakPolarHBondContact O-CB 2.97Å; E55-L58 PolarHBondContact O-N 3.08Å; E55-L58 VanDerWaalsContact O-N 3.12Å; E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 HydrophobicContact CG-CG 4.45Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-N 3.44Å; E55-R59 IonicContact OE1-CZ 3.96Å; E55-R59 VanDerWaalsContact OE1-CZ 3.22Å; E55-R59 IonicContact OE1-NE 3.99Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 2.69Å; E55-R59 PolarHBondContact OE1-NH2 2.75Å; E55-R59 IonicContact OE2-NH2 3.72Å; E55-R59 PolarHBondContact OE2-NH2 2.64Å
56R91.7Very high92.3Very high145 Ų145113.6 Ų113.655%0.54753%0.531SS..Hα-helixtrans-56.9-49.2176-174.8-178.9-63.6-127.41.6111.5E52 L58 R59 E60E52-R56 WeakPolarHBondContact O-CB 3.24Å; E52-R56 PolarHBondContact O-N 2.93Å; E52-R56 IonicContact OE1-NH2 3.29Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.94Å; R56-R59 PolarHBondContact O-N 3.06Å; R56-E60 WeakPolarHBondContact CD-OE1 3.48Å; R56-E60 HydrophobicContact CG-CG 4.43Å; R56-E60 VanDerWaalsContact CG-OE1 3.27Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 WeakPolarHBondContact O-CB 3.26Å; R56-E60 WeakPolarHBondContact O-CG 3.27Å; R56-E60 PolarHBondContact O-N 3.29Å
57K93.4Very high92.5Very high148 Ų148114.6 Ų114.664%0.64354%0.536SS*.Hα-helixtrans-59.2-38.4175.4-75.2-179.8175.5-172.10112.7R53 K54 E55 A61R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.71Å; R53-K57 VanDerWaalsContact O-N 3.15Å; K54-K57 PolarHBondContact O-N 3.12Å; E55-K57 PolarHBondContact O-N 3.39Å; K57-A61 WeakPolarHBondContact O-CB 3.14Å; K57-A61 PolarHBondContact O-N 2.62Å
58L94.1Very high92.5Very high121 Ų121118.2 Ų118.263%0.63454%0.544SS*.Hα-helixtrans-68.1-41.6177.2-174.763.5000111.7K54 E55 R56 A61 H62K54-L58 WeakPolarHBondContact O-CB 3.46Å; K54-L58 PolarHBondContact O-N 2.93Å; E55-L58 WeakPolarHBondContact O-CB 2.97Å; E55-L58 PolarHBondContact O-N 3.08Å; E55-L58 VanDerWaalsContact O-N 3.12Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.94Å; L58-A61 PolarHBondContact O-N 3.14Å; L58-H62 WeakPolarHBondContact O-CB 3.25Å; L58-H62 PolarHBondContact O-N 3.5Å
59R91.8Very high92.7Very high137 Ų137112.6 Ų112.652%0.51753%0.529SS..Hα-helixtrans-63.8-44.8174-68.4176.4-177.1-163.85.6111.3E55 R56 H62 I63E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 HydrophobicContact CG-CG 4.45Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-N 3.44Å; E55-R59 IonicContact OE1-CZ 3.96Å; E55-R59 VanDerWaalsContact OE1-CZ 3.22Å; E55-R59 IonicContact OE1-NE 3.99Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 2.69Å; E55-R59 PolarHBondContact OE1-NH2 2.75Å; E55-R59 IonicContact OE2-NH2 3.72Å; E55-R59 PolarHBondContact OE2-NH2 2.64Å; R56-R59 PolarHBondContact O-N 3.06Å; R59-H62 WeakPolarHBondContact O-CB 3.24Å; R59-H62 PolarHBondContact O-N 3.48Å; R59-I63 VanDerWaalsContact O-CG1 3.32Å; R59-I63 WeakPolarHBondContact O-CG1 3.5Å; R59-I63 PolarHBondContact O-N 2.91Å
60E92.9Very high92.5Very high93 Ų93110.8 Ų110.844%0.43553%0.528SS..Hα-helixtrans-59.8-45.7175.3-73.8165179.800111.7R56 H62 I63 M64R56-E60 WeakPolarHBondContact CD-OE1 3.48Å; R56-E60 HydrophobicContact CG-CG 4.43Å; R56-E60 VanDerWaalsContact CG-OE1 3.27Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 WeakPolarHBondContact O-CB 3.26Å; R56-E60 WeakPolarHBondContact O-CG 3.27Å; R56-E60 PolarHBondContact O-N 3.29Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.12Å; E60-I63 PolarHBondContact O-N 2.96Å; E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.85Å
61A93.9Very high92.4Very high47 Ų47108.1 Ų108.139%0.38852%0.524SS..Hα-helixtrans-61.7-39.4174.200000112.7K57 L58 M64 Y65K57-A61 WeakPolarHBondContact O-CB 3.14Å; K57-A61 PolarHBondContact O-N 2.62Å; L58-A61 PolarHBondContact O-N 3.14Å; A61-M64 PolarHBondContact O-N 3.47Å; A61-Y65 WeakPolarHBondContact O-CB 3.44Å; A61-Y65 PolarHBondContact O-N 2.69Å
62H92.7Very high92.4Very high134 Ų134109.3 Ų109.362%0.6253%0.528SS*.Hα-helixtrans-65.9-38.9176.7-147.8116.9000112L58 R59 E60 Y65 A66L58-H62 WeakPolarHBondContact O-CB 3.25Å; L58-H62 PolarHBondContact O-N 3.5Å; R59-H62 WeakPolarHBondContact O-CB 3.24Å; R59-H62 PolarHBondContact O-N 3.48Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.12Å; H62-Y65 PolarHBondContact O-N 2.69Å; H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.06Å
63I94.6Very high92.1Very high113 Ų113111.6 Ų111.658%0.57954%0.539SS*.Hα-helixtrans-65.5-46.1175.2-69163.4000110.6R59 E60 Y65 A66 Q67R59-I63 VanDerWaalsContact O-CG1 3.32Å; R59-I63 WeakPolarHBondContact O-CG1 3.5Å; R59-I63 PolarHBondContact O-N 2.91Å; E60-I63 PolarHBondContact O-N 2.96Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.8Å; I63-A66 PolarHBondContact O-N 3.01Å; I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 3.1Å
64M89.9Confident91.6Very high121 Ų121106.4 Ų106.460%0.59653%0.532SS*.Hα-helixtrans-60.5-42.2176.3-71.6-172.4-67.500112E60 A61 Q67 Q68E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.85Å; A61-M64 PolarHBondContact O-N 3.47Å; M64-Q67 PolarHBondContact O-N 3.03Å; M64-Q68 WeakPolarHBondContact O-CB 3.3Å; M64-Q68 PolarHBondContact O-N 3.21Å
65Y93.4Very high91.3Very high148 Ų148106.3 Ų106.358%0.5854%0.536SS*.Hα-helixtrans-64.8-45.5175.9-178.7-106.7000112.3A61 H62 I63 Q67 Q68 V69A61-Y65 WeakPolarHBondContact O-CB 3.44Å; A61-Y65 PolarHBondContact O-N 2.69Å; H62-Y65 PolarHBondContact O-N 2.69Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.8Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.17Å; Y65-Q68 WeakPolarHBondContact O-CB 3.36Å; Y65-Q68 PolarHBondContact O-N 3.39Å; Y65-V69 HydrophobicContact CD1-CG2 4.45Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 4.19Å; Y65-V69 WeakPolarHBondContact O-CG2 3.28Å; Y65-V69 PolarHBondContact O-N 3.36Å
66A94.6Very high91.1Very high53 Ų53106.8 Ų106.844%0.43854%0.541SS..Hα-helixtrans-60.9-39.7175.700000112H62 I63 V69 A70H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.06Å; I63-A66 PolarHBondContact O-N 3.01Å; A66-V69 PolarHBondContact O-N 3.45Å; A66-A70 WeakPolarHBondContact O-CB 3.42Å; A66-A70 PolarHBondContact O-N 3.28Å
67Q94Very high90.4Very high137 Ų137102.5 Ų102.564%0.6454%0.536SS*.Hα-helixtrans-67.2-38.4175.5-168.9174.13100112.1I63 M64 Y65 A70 A71I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 3.1Å; M64-Q67 PolarHBondContact O-N 3.03Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.17Å; Q67-A70 PolarHBondContact O-N 2.96Å; Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.39Å
68Q92.7Very high89.6Confident129 Ų12998 Ų9860%0.60353%0.527SS*.Hα-helixtrans-63.4-44.1174.3-172.5-178.71900111.7M64 Y65 A71 Q72M64-Q68 WeakPolarHBondContact O-CB 3.3Å; M64-Q68 PolarHBondContact O-N 3.21Å; Y65-Q68 WeakPolarHBondContact O-CB 3.36Å; Y65-Q68 PolarHBondContact O-N 3.39Å; Q68-A71 PolarHBondContact O-N 3.47Å; Q68-Q72 WeakPolarHBondContact O-CB 3.08Å; Q68-Q72 PolarHBondContact O-N 3.46Å
69V93.3Very high88.7Confident64 Ų6495.4 Ų95.439%0.38852%0.523SS..Hα-helixtrans-64.7-43.8175.71730000110.9Y65 A66 A71 Q72 Q73Y65-V69 HydrophobicContact CD1-CG2 4.45Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 4.19Å; Y65-V69 WeakPolarHBondContact O-CG2 3.28Å; Y65-V69 PolarHBondContact O-N 3.36Å; A66-V69 PolarHBondContact O-N 3.45Å; V69-A71 PolarHBondContact O-N 3.28Å; V69-Q72 PolarHBondContact O-N 2.92Å; V69-Q73 WeakPolarHBondContact O-CB 3.22Å; V69-Q73 PolarHBondContact O-N 2.97Å
70A90.4Very high87.5Confident53 Ų5397.8 Ų97.844%0.43853%0.532SS..Hα-helixtrans-62.6-42176.400000112.3A66 Q67 Q73 A74A66-A70 WeakPolarHBondContact O-CB 3.42Å; A66-A70 PolarHBondContact O-N 3.28Å; Q67-A70 PolarHBondContact O-N 2.96Å; A70-Q73 PolarHBondContact O-N 3.39Å; A70-A74 WeakPolarHBondContact O-CB 3.15Å; A70-A74 PolarHBondContact O-N 3.08Å
71A90.1Very high85.9Confident51 Ų5197.7 Ų97.742%0.42155%0.547SS..Hα-helixtrans-64-43175.200000111.9Q67 Q68 V69 Q73 A74 I75Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.39Å; Q68-A71 PolarHBondContact O-N 3.47Å; V69-A71 PolarHBondContact O-N 3.28Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 2.94Å; A71-A74 PolarHBondContact O-N 2.87Å; A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.48Å; A71-I75 PolarHBondContact O-N 2.92Å
72Q89.2Confident84.1Confident140 Ų14099.6 Ų99.665%0.65456%0.558SS**Hα-helixtrans-64.9-38.3175.8-172.6171.394.200112Q68 V69 I75 L76Q68-Q72 WeakPolarHBondContact O-CB 3.08Å; Q68-Q72 PolarHBondContact O-N 3.46Å; V69-Q72 PolarHBondContact O-N 2.92Å; Q72-I75 PolarHBondContact O-N 3.47Å; Q72-L76 WeakPolarHBondContact O-CB 3.3Å; Q72-L76 PolarHBondContact O-N 3.09Å
73Q87.1Confident81.9Confident135 Ų13596.1 Ų96.163%0.63156%0.558SS**Hα-helixtrans-66.8-39.4174-169.717530.400112V69 A70 A71 L76 A77V69-Q73 WeakPolarHBondContact O-CB 3.22Å; V69-Q73 PolarHBondContact O-N 2.97Å; A70-Q73 PolarHBondContact O-N 3.39Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 2.94Å; Q73-L76 PolarHBondContact O-N 3.06Å; Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.46Å
74A83.7Confident79.4Confident61 Ų6195 Ų9550%0.50457%0.565SS.*Hα-helixtrans-64.7-41.517500000112.1A70 A71 A77 A78A70-A74 WeakPolarHBondContact O-CB 3.15Å; A70-A74 PolarHBondContact O-N 3.08Å; A71-A74 PolarHBondContact O-N 2.87Å; A74-A77 PolarHBondContact O-N 3.27Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.36Å
75I85.4Confident77.3Confident122 Ų12295 Ų9563%0.62658%0.577SS**Hα-helixtrans-61.7-44.7173.4-68.6163.3000110.7A71 Q72 A77 A78 A79A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.48Å; A71-I75 PolarHBondContact O-N 2.92Å; Q72-I75 PolarHBondContact O-N 3.47Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.4Å; I75-A78 PolarHBondContact O-N 3.28Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.95Å
76L83.5Confident74.9Confident90 Ų9097 Ų9747%0.47159%0.589SS.*Hα-helixtrans-68.7-30.8178-175.462.6000113Q72 Q73 R80Q72-L76 WeakPolarHBondContact O-CB 3.3Å; Q72-L76 PolarHBondContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.06Å; L76-R80 WeakPolarHBondContact O-CG 3.23Å; L76-R80 PolarHBondContact O-N 2.92Å
77A77.1Confident72.5Confident55 Ų55103.2 Ų103.246%0.45561%0.612SS.*Hα-helixtrans-71.2-44.7172.500000111.3Q73 A74 I75 A79 R80 A81Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.46Å; A74-A77 PolarHBondContact O-N 3.27Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.4Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 3.23Å; A77-A81 PolarHBondContact O-N 3.4Å
78A76.3Confident69.9Low54 Ų5499.8 Ų99.845%0.44661%0.613SS.*Hα-helixtrans-60.6-38.7173.800000111.8A74 I75 R80 A81 S82A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.28Å; A78-R80 PolarHBondContact O-N 3.37Å; A78-A81 PolarHBondContact O-N 2.96Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 3.37Å; A78-S82 PolarHBondContact O-OG 2.9Å
79A75.6Confident67.3Low67 Ų67103.7 Ų103.755%0.55463%0.628SS**Hα-helixtrans-69.7-11173.900000114.5I75 A77I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.95Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.4Å
80R66.6Low64.4Low187 Ų187104 Ų10471%0.70664%0.644SS**Hα-helixtrans-98.9-31.7169.9-73.7179.7175.2128.3-1.8112.9L76 A77 A78L76-R80 WeakPolarHBondContact O-CG 3.23Å; L76-R80 PolarHBondContact O-N 2.92Å; A77-R80 PolarHBondContact O-N 3.23Å; A78-R80 PolarHBondContact O-N 3.37Å
81A59.3Low61.9Low91 Ų91110.9 Ų110.975%0.75267%0.669SS**Hα-helixtrans-72.1-40.7173.700000111.5A77 A78 G83A77-A81 PolarHBondContact O-N 3.4Å; A78-A81 PolarHBondContact O-N 2.96Å; A81-G83 PolarHBondContact O-N 3.3Å
82S56.5Low59.3Low87 Ų87113.1 Ų113.161%0.60869%0.688SS**SBendtrans-72.174.7161.9-68.30000109.6A78 A84A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 3.37Å; A78-S82 PolarHBondContact O-OG 2.9Å; S82-A84 PolarHBondContact O-N 3.39Å
83G46.4Very low56.7Low60 Ų60110.2 Ų110.262%0.61970%0.696SS**  trans-60.786.5166.100000109.7A81 S85A81-G83 PolarHBondContact O-N 3.3Å; G83-S85 PolarHBondContact O-N 3Å
84A43.1Very low54Low89 Ų89107.3 Ų107.374%0.73670%0.702SS**  trans-63.9107.3-172.600000110.1S82 F86S82-A84 PolarHBondContact O-N 3.39Å; A84-F86 PolarHBondContact O-N 3.49Å
85S44.4Very low51.9Low121 Ų121111.3 Ų111.385%0.84672%0.72SS**  trans-69.873171.5-66.90000110G83 M87G83-S85 PolarHBondContact O-N 3Å; S85-M87 PolarHBondContact O-N 2.94Å
86F44.6Very low50.2Low190 Ų190111.3 Ų111.383%0.83373%0.728SS**  trans-74.876.6173.5-179.3-104.9000110A84A84-F86 PolarHBondContact O-N 3.49Å
87M42.4Very low47.8Very low185 Ų185112.1 Ų112.191%0.91175%0.747SS**  trans-115.4107.5152.9-71-162.9-174.900107.6S85S85-M87 PolarHBondContact O-N 2.94Å
88G40.1Very low45.8Very low65 Ų65114.8 Ų114.867%0.6777%0.769SS**  trans-74.6142.2-177.100000112.9
89K37.8Very low43.7Very low210 Ų210116 Ų11691%0.91379%0.787SS**  trans-155.6145.8165.3-158.2121.2179.2-175.80112
90G33.3Very low41.7Very low70 Ų70121 Ų12172%0.72280%0.804SS**  trans78.588.9143.500000117.4A92G90-A92 PolarHBondContact O-N 2.88Å
91M37.9Very low40.6Very low198 Ų198117.6 Ų117.698%0.97581%0.806SS**  trans-64.6124.3158.2176.6137.659.400111
92A35.4Very low40.3Very low98 Ų98119.3 Ų119.381%0.8181%0.809SS**  trans-153.9147.1164.300000110G90G90-A92 PolarHBondContact O-N 2.88Å
93G33.3Very low39Very low80 Ų80126 Ų12683%0.82582%0.821SS**  trans-94.2176.7-176.400000114.7
94G31.7Very low38.3Very low73 Ų73128.2 Ų128.275%0.75382%0.823SS**  trans-75.2-166.4169.600000113.4
95V38.8Very low37.6Very low146 Ų146128.5 Ų128.589%0.88582%0.819SS**  cis-141.1-159.314.5-141.60000110.5
96P49.7Very low36.8Very low122 Ų122128.8 Ų128.879%0.79281%0.811SS**  trans-110.2171.9-13343-29000116.3
97A33.3Very low36.1Very low107 Ų107128.2 Ų128.288%0.88481%0.811SS**  trans-141.2156159.800000110.2
98A35.3Very low35.5Very low111 Ų111124.6 Ų124.692%0.91780%0.804SS**  trans-117.7151-17400000112.7
99G31.5Very low35.1Very low80 Ų80127 Ų12783%0.82581%0.81SS**  trans-178.4136.8175.300000113.9
100L33.9Very low35.1Very low171 Ų171123.1 Ų123.190%0.89580%0.804SS**  trans-106.1178.4172.2-68.8166.6000108.8
101P44.2Very low34.8Very low115 Ų115127.1 Ų127.175%0.74781%0.809SS**  cis-121.6-166.5-48.739.8-23.6000109.6
102P52.8Low34.5Very low127 Ų127121.6 Ų121.683%0.82579%0.79SS**  trans-90.3159.4-16536.5-35.1000115.3
103R29.8Very low34.3Very low227 Ų227125.8 Ų125.886%0.85779%0.793SS**  trans-154.8124.7164.6-142.5-162.6164.8-168.3-5.6114.9
104V31.6Very low34.3Very low108 Ų108133.1 Ų133.166%0.65580%0.796SS**  trans47.1127.4150-62.50000123.9
105S28Very low34.4Very low94 Ų94137.7 Ų137.766%0.65780%0.797SS**  75.9116.6125.2-68.20000123.9
106N27.1Very low34.3Very low127 Ų127138.2 Ų138.268%0.67979%0.79SS**  75.8131.3122.6-65.736.4000120.9
107Q29.4Very low33.7Very low178 Ų178139.8 Ų139.883%0.83279%0.792SS**  trans69.7152.4154.7-63159.4133.200115.7
108S30.7Very low33.9Very low109 Ų109140.8 Ų140.876%0.76278%0.778SS**  cis-173.8141.7-22.749.80000108.1
109S32.3Very low34.1Very low116 Ų116143.6 Ų143.681%0.81178%0.778SS**  trans-159.8136.9143.6-153.20000111
110V36.5Very low34.4Very low129 Ų129148.1 Ų148.178%0.78277%0.77SS**  trans-82.4147.4152.1-68.10000108.4
111D27Very low34.6Very low153 Ų153143.7 Ų143.782%0.81877%0.765SS**  trans178.4145150.2-138.643.1000108.6
112S33.4Very low34.4Very low82 Ų82149.1 Ų149.157%0.57377%0.771SS**  cis-162.4144.2-31.7-102.20000109.2
113E30Very low33.5Very low187 Ų187150 Ų15087%0.87477%0.769SS**  trans22.6126.3157.136.6179.772.500122.2
114R33.8Very low34.2Very low234 Ų234144.6 Ų144.688%0.88377%0.766SS**  trans-159.1103.9133-169.1158.8-169.8-80.6-13.3114
115E33.4Very low34.3Very low168 Ų168142.4 Ų142.479%0.78577%0.765SS**  trans-80.1173.3155.7-51.8178.1150.300108.2
116E37.5Very low34.9Very low157 Ų157144.8 Ų144.873%0.73477%0.771SS**  cis-124.8-176.96.6-84.7169.9115.900107.7
117D37.1Very low35.5Very low155 Ų155146.9 Ų146.983%0.82978%0.777SS**  cis-144.8160.433.4-83.1-74.3000113
118E36.9Very low36Very low129 Ų129145.9 Ų145.960%0.60378%0.777SS**  trans-100.4150177.4-54.5177.699.200112.7R120E118-R120 IonicContact OE1-CZ 3.22Å; E118-R120 IonicContact OE1-NE 2.62Å; E118-R120 PolarHBondContact OE1-NE 2.64Å; E118-R120 IonicContact OE1-NH1 3.66Å; E118-R120 IonicContact OE1-NH2 3.47Å; E118-R120 PolarHBondContact OE1-NH2 2.82Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 3.93Å; E118-R120 IonicContact OE2-NH1 2.7Å; E118-R120 PolarHBondContact OE2-NH1 3.29Å; E118-R120 IonicContact OE2-NH2 3.01Å; E118-R120 PolarHBondContact OE2-NH2 2.92Å
119D40.3Very low36.5Very low170 Ų170147.8 Ų147.891%0.90978%0.778SS**  trans-130.7140.1147.8-170.314000108.9
120R37Very low36.8Very low174 Ų174148.2 Ų148.266%0.65777%0.772SS**  trans-122.2123-160.9-75.2-175.2169.1112.3-7.7113.1E118E118-R120 IonicContact OE1-CZ 3.22Å; E118-R120 IonicContact OE1-NE 2.62Å; E118-R120 PolarHBondContact OE1-NE 2.64Å; E118-R120 IonicContact OE1-NH1 3.66Å; E118-R120 IonicContact OE1-NH2 3.47Å; E118-R120 PolarHBondContact OE1-NH2 2.82Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 3.93Å; E118-R120 IonicContact OE2-NH1 2.7Å; E118-R120 PolarHBondContact OE2-NH1 3.29Å; E118-R120 IonicContact OE2-NH2 3.01Å; E118-R120 PolarHBondContact OE2-NH2 2.92Å
121G37.2Very low36.7Very low78 Ų78148.7 Ų148.780%0.80477%0.77SS**  trans-137.7108.9164.100000111.7
122R41.3Very low37.5Very low230 Ų230150 Ų15087%0.86877%0.771SS**  trans-76.7157.5174-64.5-179.9175.2-174.8-3.9110.2
123D33.4Very low38.3Very low145 Ų145154.9 Ų154.978%0.77579%0.787SS**  -151.9135.659.1-116.11.1000109.8
124S44.5Very low38.9Very low113 Ų113155.3 Ų155.379%0.7979%0.791SS**  69.4129.982.5-168.30000114.2
125G34.4Very low39.6Very low63 Ų63153.8 Ų153.865%0.64979%0.794SS**  cis-140.4-159.1-6.800000111.2
126D38.9Very low39.7Very low144 Ų144149.4 Ų149.477%0.7780%0.795SS**  cis-142.7145.411.4-61.7-44.8000112.1
127E40.8Very low39.8Very low171 Ų171149.5 Ų149.580%0.79980%0.8SS**  trans41.8106136.4-55.3179.2168.200121.6
128D39.4Very low40.1Very low157 Ų157151.2 Ų151.284%0.8480%0.803SS**  34.3153.6101.3-48.2-9.9000120.2
129D41.7Very low39.9Very low148 Ų148148.4 Ų148.479%0.79181%0.809SS**  cis-168.7-163.6-32.5-159.1-13.7000106.5
130D39Very low39.7Very low125 Ų125145.5 Ų145.567%0.66880%0.801SS**  trans79.7126.8153.3-77.4-17.5000121.8
131N33.8Very low39.7Very low139 Ų139144.6 Ų144.674%0.74381%0.81SS**  trans67.9152.8151.4-62-44.6000119.1
132E44.3Very low40Very low180 Ų180150.2 Ų150.284%0.84182%0.815SS**  cis-147.3159.97.3-144.5162.2-141.900110.9
133M49Very low39.8Very low186 Ų186147 Ų14792%0.91682%0.815SS**  trans-107.7127.4171.5-63.9-170.4-162.300111.4
134M43.8Very low40.4Very low196 Ų196149.3 Ų149.397%0.96682%0.821SS**  trans-157.5157.3151.3-117.6-175.8-169.300112.8
135E48.6Very low39.9Very low201 Ų201147.5 Ų147.594%0.93982%0.82SS**  trans-97.5161179.5-63.3-175.4136.900112.7
136G35.6Very low39.9Very low77 Ų77151.5 Ų151.579%0.79483%0.827SS**  trans155.1145.6166.400000109.6
137D39.6Very low40.2Very low158 Ų158149.9 Ų149.985%0.84582%0.824SS**  cis-172.4178.3-8.3-174.518.5000104.8
138E42.6Very low40.8Very low192 Ų192145.3 Ų145.390%0.89781%0.811SS**  trans-68.1163.2-161.4-61.7179.3178.100118.4
139G32.8Very low41.7Very low70 Ų70140.5 Ų140.572%0.72280%0.799SS**  trans142.289.7174.500000112
140S36.3Very low42.3Very low108 Ų108139.8 Ų139.876%0.75579%0.794SS**  60.899.771.3-1530000113.8
141D37.1Very low43.2Very low156 Ų156137.7 Ų137.783%0.83478%0.78SS**  -179.7171107.8-85.8-3.4000111.8
142E43Very low44.5Very low195 Ų195138.1 Ų138.191%0.91178%0.776SS**  trans-101.2142-163.4-52.2178.2157.800114.1
143D36.7Very low45.6Very low164 Ų164134.1 Ų134.188%0.87776%0.76SS**  trans-160.5159.4140.6-159.17.5000111.8
144E45.8Very low46.5Very low192 Ų192134.2 Ų134.290%0.89775%0.75SS**  trans-80.5139.7-175.6-68.1-158.9112.800114.5
145G34.6Very low47.6Very low75 Ų75131 Ų13177%0.77373%0.73SS**  trans-142.821.6-167.200000118.4
146N34.9Very low48.3Very low148 Ų148126.1 Ų126.179%0.79171%0.708SS**  trans61.2104.6171-175.587.9000116.8
147P44.8Very low49.7Very low109 Ų109126.4 Ų126.471%0.70869%0.694SS**  trans-68.9137.5-171.228.1-35.4000114.5
148S54.2Low50.9Low75 Ų75123.3 Ų123.352%0.52468%0.677SS.*  trans-58.7136.6-179.11780000113.4L150 E151S148-L150 PolarHBondContact O-N 3.49Å; S148-E151 WeakPolarHBondContact O-CB 3.35Å; S148-E151 PolarHBondContact O-N 3.35Å
149G57.7Low51.7Low56 Ų56116.9 Ų116.958%0.57766%0.657SS**Hα-helixtrans-58.7-13.7179.400000115.6E151 F152 L153G149-E151 VanDerWaalsContact C-N 3.29Å; G149-E151 PolarHBondContact O-N 3.5Å; G149-F152 PolarHBondContact O-N 3.03Å; G149-L153 PolarHBondContact O-N 2.99Å; G149-L153 VanDerWaalsContact O-N 3.08Å
150L54.1Low53Low133 Ų133119.8 Ų119.870%0.69666%0.655SS**Hα-helixtrans-60.6-35.3168.8-76.9164.5000112.5S148 R154S148-L150 PolarHBondContact O-N 3.49Å; L150-R154 VanDerWaalsContact O-CB 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.35Å; L150-R154 PolarHBondContact O-N 3.34Å
151E57.8Low53.9Low81 Ų81121.4 Ų121.438%0.37965%0.651SS.*Hα-helixtrans-61.3-46.4173.4-87.3-82.110400111.4S148 G149 R154 K155S148-E151 WeakPolarHBondContact O-CB 3.35Å; S148-E151 PolarHBondContact O-N 3.35Å; G149-E151 VanDerWaalsContact C-N 3.29Å; G149-E151 PolarHBondContact O-N 3.5Å; E151-R154 PolarHBondContact O-N 2.87Å; E151-K155 WeakPolarHBondContact O-CB 3.19Å; E151-K155 WeakPolarHBondContact O-CD 3.5Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 VanDerWaalsContact OE2-CE 3.27Å; E151-K155 WeakPolarHBondContact OE2-CE 3.43Å; E151-K155 IonicContact OE2-NZ 3.59Å; E151-K155 PolarHBondContact OE2-NZ 3.49Å
152F62.2Low54.5Low148 Ų148120.8 Ų120.865%0.64964%0.643SS**Hα-helixtrans-65-44.1-179.2-174-95.5000111.5G149 K155 Q156G149-F152 PolarHBondContact O-N 3.03Å; F152-K155 PolarHBondContact O-N 2.87Å; F152-Q156 WeakPolarHBondContact O-CB 3.3Å; F152-Q156 PolarHBondContact O-N 2.93Å
153L65.4Low54.5Low96 Ų96118.6 Ų118.650%0.50364%0.637SS.*Hα-helixtrans-64-43177.1-16765.7000111.4G149 K155 Q156 T157G149-L153 PolarHBondContact O-N 2.99Å; G149-L153 VanDerWaalsContact O-N 3.08Å; L153-K155 PolarHBondContact O-N 2.94Å; L153-Q156 PolarHBondContact O-N 2.96Å; L153-T157 PolarHBondContact O-N 3.25Å; L153-T157 PolarHBondContact O-OG1 3.05Å; L153-T157 VanDerWaalsContact O-OG1 3.09Å
154R68.4Low54.7Low188 Ų188114.6 Ų114.671%0.70963%0.628SS**Hα-helixtrans-61.4-42.4176.1-167.6179-167.3-178.85112.1L150 E151 L158L150-R154 VanDerWaalsContact O-CB 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.35Å; L150-R154 PolarHBondContact O-N 3.34Å; E151-R154 PolarHBondContact O-N 2.87Å; R154-L158 WeakPolarHBondContact O-CB 3.41Å; R154-L158 PolarHBondContact O-N 2.94Å
155K68.4Low54.6Low128 Ų128110.2 Ų110.256%0.55762%0.618SS**Hα-helixtrans-67.2-38.7175.7-75.1164.5172.9166.80112E151 F152 L153 L158 A159E151-K155 WeakPolarHBondContact O-CB 3.19Å; E151-K155 WeakPolarHBondContact O-CD 3.5Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 VanDerWaalsContact OE2-CE 3.27Å; E151-K155 WeakPolarHBondContact OE2-CE 3.43Å; E151-K155 IonicContact OE2-NZ 3.59Å; E151-K155 PolarHBondContact OE2-NZ 3.49Å; F152-K155 PolarHBondContact O-N 2.87Å; L153-K155 PolarHBondContact O-N 2.94Å; K155-L158 PolarHBondContact O-N 2.86Å; K155-A159 PolarHBondContact O-N 3.48Å
156Q62.8Low54.6Low99 Ų99118 Ų11846%0.46362%0.624SS.*Hα-helixtrans-64.5-44.5174.5-174.8177.585.900112.2F152 L153 L158 A159 L160F152-Q156 WeakPolarHBondContact O-CB 3.3Å; F152-Q156 PolarHBondContact O-N 2.93Å; L153-Q156 PolarHBondContact O-N 2.96Å; Q156-L158 PolarHBondContact O-N 3.09Å; Q156-A159 PolarHBondContact O-N 3.23Å; Q156-L160 PolarHBondContact O-N 3.38Å
157T63.8Low54.8Low83 Ų83118.8 Ų118.851%0.50963%0.626SS.*Hα-helixtrans-62.2-41.5174.7-55.40000112L153 L160 Q161L153-T157 PolarHBondContact O-N 3.25Å; L153-T157 PolarHBondContact O-OG1 3.05Å; L153-T157 VanDerWaalsContact O-OG1 3.09Å; T157-L160 PolarHBondContact O-N 2.87Å; T157-Q161 PolarHBondContact O-N 3.28Å; T157-Q161 VanDerWaalsContact O-N 3.14Å
158L65.8Low54.5Low93 Ų93119.3 Ų119.349%0.48763%0.63SS.*Hα-helixtrans-64.8-41.3179.5-172.463000112.4R154 K155 Q156 L160 Q161 Q162R154-L158 WeakPolarHBondContact O-CB 3.41Å; R154-L158 PolarHBondContact O-N 2.94Å; K155-L158 PolarHBondContact O-N 2.86Å; Q156-L158 PolarHBondContact O-N 3.09Å; L158-L160 PolarHBondContact O-N 2.93Å; L158-Q161 PolarHBondContact O-N 2.9Å; L158-Q162 PolarHBondContact O-N 3.26Å
159A59.4Low53.3Low57 Ų57120.2 Ų120.247%0.47164%0.642SS.*Hα-helixtrans-63.4-39.2177.300000112.9K155 Q156K155-A159 PolarHBondContact O-N 3.48Å; Q156-A159 PolarHBondContact O-N 3.23Å
160L59.1Low52.3Low131 Ų131128.8 Ų128.869%0.68666%0.657SS**Hα-helixtrans-67.3-34.7175.3-84.7155.6000112.6Q156 T157 L158Q156-L160 PolarHBondContact O-N 3.38Å; T157-L160 PolarHBondContact O-N 2.87Å; L158-L160 PolarHBondContact O-N 2.93Å
161Q55.5Low51.8Low143 Ų143128.5 Ų128.567%0.66866%0.663SS**Hα-helixtrans-72.3-31.5-179.2-170.3164.484.800113.1T157 L158T157-Q161 PolarHBondContact O-N 3.28Å; T157-Q161 VanDerWaalsContact O-N 3.14Å; L158-Q161 PolarHBondContact O-N 2.9Å
162Q50.8Low50.4Low142 Ų142134.2 Ų134.266%0.66469%0.687SS**Hα-helixtrans-74.8-25.8-179.9-69.6179.80.800113.7L158 A164L158-Q162 PolarHBondContact O-N 3.26Å; Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 3.5Å
163N41.7Very low48.9Very low149 Ų149131.8 Ų131.880%0.79769%0.694SS**THydrogen-bonded Turntrans-78.3-5.8-179.2-829.1000114.7S165N163-S165 PolarHBondContact O-N 3.14Å
164A42.4Very low47.1Very low81 Ų81130.4 Ų130.467%0.66970%0.703SS**THydrogen-bonded Turntrans-82.6-1.5-172.200000115.2Q162Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 3.5Å
165S43.7Very low45.3Very low99 Ų99131.9 Ų131.969%0.69271%0.711SS**SBendtrans-148.750.2-163.4-660000117.7N163N163-S165 PolarHBondContact O-N 3.14Å
166R34.4Very low43.5Very low238 Ų238130.7 Ų130.790%0.89872%0.718SS**  trans-151.2123.6144.1-72.2-156-166.9-74.7-2.3112.6
167I37.4Very low42Very low165 Ų165134 Ų13485%0.84674%0.736SS**  trans-126.7126.5158.4-67.4173.3000106
168P39.1Very low40.4Very low120 Ų120136 Ų13678%0.77975%0.753SS**  -136.9167.4117.623.4-3.8000114.5
169A30.3Very low38.8Very low95 Ų95136 Ų13679%0.78577%0.767SS**  trans-52158.6-170.200000118.7
170R35.6Very low38.2Very low235 Ų235138.5 Ų138.589%0.88778%0.778SS**  trans-68.1161.8161-66.2-179.2171.9-136-0.8111.6
171P43.1Very low36.8Very low127 Ų127138.3 Ų138.383%0.82577%0.773SS**  -128-166.211538.3-32.5000114.5
172F29Very low35.4Very low202 Ų202141.8 Ų141.889%0.88678%0.781SS**  trans-73.4146.4-156.8-98.7-117.9000118.6
173A30.7Very low34.2Very low96 Ų96139 Ų13979%0.79378%0.782SS**  trans29.3133.8135.500000122.6
174G28Very low33.5Very low68 Ų68136.8 Ų136.870%0.70178%0.784SS**  trans-153.7143.8165.600000113.5
175Y31.4Very low33Very low219 Ų219138.3 Ų138.386%0.85979%0.79SS**  trans-67175.6169.351.9-94.4000111.7
176S30.1Very low32.9Very low103 Ų103139.5 Ų139.572%0.7280%0.795SS**  cis-155.9171.83.6-153.40000112.6
177M30.8Very low33.4Very low168 Ų168133.4 Ų133.483%0.82879%0.786SS**  trans-15.4138.4163.9-61.8-68.1120.400120.4
178S30.2Very low33.1Very low125 Ų125131.7 Ų131.787%0.87478%0.783SS**  -166142.411551.60000114.3
179A31.2Very low32.4Very low93 Ų93137 Ų13777%0.76979%0.788SS**  trans-138.5-171.4166.400000105.8
180P47.4Very low32.3Very low109 Ų109138.6 Ų138.671%0.70879%0.788SS**  cis-143.2-151.95.943.5-21.7000114.3
181Q30Very low31.9Very low127 Ų127135.5 Ų135.559%0.59378%0.78SS**  trans112.9106.9169.2-64.6-59.5-7500113.2
182R26Very low31.1Very low217 Ų217137.2 Ų137.282%0.81978%0.777SS**  81.7139.587.2-85.8-156.5-179.4127.9-15.8113.4
183A25.9Very low31Very low84 Ų84135.7 Ų135.769%0.69477%0.773SS**  cis-165.4172.6-5.600000113.1
184A27.7Very low31.2Very low101 Ų101137 Ų13784%0.83577%0.774SS**  trans77.8119.1149.900000121.7
185S30.3Very low31.1Very low114 Ų114140.3 Ų140.380%0.79778%0.775SS**  trans-82.1177149.8-37.30000110
186P42.3Very low31Very low123 Ų123138.8 Ų138.880%0.79978%0.776SS**  -150-147.370.844.9-21.1000113.3
187P45.6Very low30.7Very low110 Ų110136.7 Ų136.771%0.71477%0.771SS**  -140.2176.7-110.942.7-21000118.7
188V29.5Very low30.7Very low130 Ų130137.3 Ų137.379%0.78877%0.774SS**  trans47.9131.6143.2170.50000121.2
189R26Very low30.6Very low231 Ų231136.9 Ų136.987%0.87277%0.771SS**  trans-144.3136.4140.5-165.5169.3-172.2136.34112.3
190V28.4Very low31.1Very low129 Ų129138.2 Ų138.278%0.78277%0.771SS**  trans-126.5142.3171.7174.70000108.7
191K27.3Very low30.1Very low169 Ų169137.7 Ų137.774%0.73578%0.777SS**  trans-159.4104.5166.1-162.9177-178.7-169.70107
192Q25.6Very low30.1Very low163 Ų163135 Ų13576%0.76278%0.783SS**  82.4121.768.6-177.5-175.748.400111.9
193E26Very low30.7Very low170 Ų170131 Ų13179%0.79479%0.785SS**  trans-69.8173.1178.7-72.9-158.512400114.1
194P34.9Very low30.8Very low124 Ų124134.7 Ų134.781%0.80579%0.793SS**  -133.2161.7105.239.5-31.7000116
195D26.7Very low30.9Very low137 Ų137135.4 Ų135.473%0.73379%0.792SS**  trans-68.6151.7173.6-173.5-100.6000113.4
196E28.4Very low30.8Very low188 Ų188135 Ų13588%0.87979%0.789SS**  169.7135.4127-95.4-171.2173.700112.3
197G25.1Very low30Very low59 Ų59133.6 Ų133.661%0.60879%0.788SS**  trans124.9117.4138.600000121
198M30.1Very low29.2Very low180 Ų180133.8 Ų133.889%0.88779%0.792SS**  trans54.199.2145.9-60.878.6165.800120.4
199S29Very low29.9Very low117 Ų117133.5 Ų133.582%0.81879%0.793SS**  -83.1160.6128.1-65.30000109.8
200P40.9Very low30Very low120 Ų120130.6 Ų130.678%0.77980%0.795SS**  -145.9152111.437.4-23.3000116.1
201A27.2Very low30.1Very low99 Ų99127.7 Ų127.782%0.81879%0.791SS**  trans38.4119.514700000121.2
202G29.8Very low30.2Very low71 Ų71129.1 Ų129.173%0.73280%0.8SS**  trans-90.7-172.5143.100000111.2
203P38.5Very low30.8Very low132 Ų132125.3 Ų125.386%0.85780%0.796SS**  trans-118.9142157.935.9-26.9000112.7
204N28.3Very low30.8Very low161 Ų161124.5 Ų124.586%0.86180%0.797SS**  trans-93.8142.7173.8-63.3-42.2000110.8
205S28.3Very low31.1Very low117 Ų117129.3 Ų129.382%0.81880%0.8SS**  trans-164.9145.9151.9-78.90000110.2
206S28.7Very low31.5Very low104 Ų104125.2 Ų125.273%0.72779%0.79SS**  cis159.5146-41.2540000107.8
207A26.4Very low31.6Very low95 Ų95122.8 Ų122.879%0.78578%0.777SS**  trans68.3148.4175.400000116.1
208S27.8Very low31.9Very low113 Ų113126.5 Ų126.579%0.7978%0.778SS**  cis-162.7166.6-19.3-1070000110.1
209P44Very low32Very low125 Ų125123.6 Ų123.681%0.81277%0.766SS**  trans-89.1147.7-170.934.8-35.5000114.5
210N28.8Very low32.3Very low170 Ų170125.6 Ų125.691%0.90976%0.762SS**  trans-147.4151.5138.9-160.89.3000108.9
211G30.5Very low32.1Very low68 Ų68126.2 Ų126.270%0.70175%0.753SS**  trans-105.7152.4-167.300000114.9
212Q28.7Very low32.5Very low199 Ų199130.7 Ų130.793%0.9375%0.749SS**  trans-143.3142.1151-158.1164.4700108.3
213A38.8Very low32.5Very low82 Ų82135.9 Ų135.968%0.67875%0.754SS**  trans-87.9135.8-177.700000110.9
214D26.7Very low32.1Very low153 Ų153136.3 Ų136.382%0.81875%0.749SS**  trans-132.1123.9159.4-173.626.3000108.5
215W39.7Very low32.4Very low226 Ų226131.9 Ų131.986%0.85674%0.742SS**  trans-108.873.2-175.9-81.7104.2000109.4
216G35.8Very low32.5Very low51 Ų51131.4 Ų131.453%0.52674%0.738SS.*  trans-112.393.4-170.800000115.5E218G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3.4Å
217F30.9Very low32.7Very low136 Ų136130.1 Ų130.160%0.59673%0.734SS**SBendtrans64.1-26.9148.6-163.1-111.8000121.2D219F217-D219 PolarHBondContact O-N 3.26Å
218E30.7Very low33.1Very low137 Ų137128.9 Ų128.964%0.6473%0.73SS**THydrogen-bonded Turntrans-70.2-32.8-165.2-172.460.6-158.100115.5G216 H220 F221G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3.4Å; E218-H220 VanDerWaalsContact C-N 3.26Å; E218-H220 PolarHBondContact O-N 3.09Å; E218-H220 VanDerWaalsContact O-N 3.1Å; E218-F221 PolarHBondContact O-N 3.36Å
219D32.4Very low33.3Very low119 Ų119134.8 Ų134.864%0.63674%0.735SS**Hα-helixtrans-61.3-26.9-169.6-94-59.3000115.1F217 F221 R222F217-D219 PolarHBondContact O-N 3.26Å; D219-F221 VanDerWaalsContact C-N 3.28Å; D219-F221 PolarHBondContact O-N 3.41Å; D219-R222 PolarHBondContact O-N 3.21Å
220H35.9Very low32.9Very low159 Ų159135.8 Ų135.874%0.73674%0.74SS**Hα-helixtrans-69.2-20-174.2-76.3-61000114.5E218E218-H220 VanDerWaalsContact C-N 3.26Å; E218-H220 PolarHBondContact O-N 3.09Å; E218-H220 VanDerWaalsContact O-N 3.1Å
221F35.1Very low33.3Very low133 Ų133132.3 Ų132.358%0.58372%0.721SS**Hα-helixtrans-93.6-20.5177.5-81.5-82.9000114.2E218 D219 Q223E218-F221 PolarHBondContact O-N 3.36Å; D219-F221 VanDerWaalsContact C-N 3.28Å; D219-F221 PolarHBondContact O-N 3.41Å; F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.99Å
222R36.8Very low33.5Very low193 Ų193138 Ų13873%0.72873%0.729SS**Hα-helixtrans-66.5-34175.5-66.3-100.470.5-160.93.5112D219 N224 G225D219-R222 PolarHBondContact O-N 3.21Å; R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 2.91Å; R222-G225 PolarHBondContact O-N 3.38Å
223Q30Very low33.9Very low180 Ų180132.7 Ų132.784%0.84172%0.72SS**G310 helixtrans-71.8-19.5-174.6-163.416788.300114.4F221 G225F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.99Å; Q223-G225 PolarHBondContact O-N 3.33Å
224N29.9Very low33.7Very low142 Ų142132.4 Ų132.476%0.75971%0.707SS**G310 helixtrans-85.411.6174.5-159.391000113R222R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 2.91Å
225G34.2Very low34.5Very low68 Ų68129.7 Ų129.770%0.70170%0.699SS**G310 helixtrans-85.3-1.4-173.700000116.8R222 Q223R222-G225 PolarHBondContact O-N 3.38Å; Q223-G225 PolarHBondContact O-N 3.33Å
226S31.4Very low34.6Very low106 Ų106126.6 Ų126.674%0.74170%0.7SS**  trans-126.742.8-168.9-167.40000114.9G228S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.46Å; S226-G228 VanDerWaalsContact O-N 3.09Å
227A32Very low34.9Very low78 Ų78133.4 Ų133.465%0.64571%0.71SS**  trans-77.883.3159.900000109W229A227-W229 PolarHBondContact O-N 2.94Å
228G34.6Very low35.8Very low69 Ų69128.4 Ų128.471%0.71170%0.696SS**  trans-67.389.5-179.400000112.4S226S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.46Å; S226-G228 VanDerWaalsContact O-N 3.09Å
229W32.1Very low36.6Very low236 Ų236132.5 Ų132.589%0.89471%0.706SS**  trans-76.2127.1159-69.286.8000108.3A227 D231A227-W229 PolarHBondContact O-N 2.94Å; W229-D231 PolarHBondContact O-N 2.9Å; W229-D231 VanDerWaalsContact O-N 3.09Å
230T36.7Very low37.7Very low147 Ų147128.9 Ų128.990%0.90270%0.697SS**  trans-73.894.2170.146.30000109.4
231D35.8Very low38.9Very low97 Ų97125.7 Ų125.752%0.51968%0.682SS.*  trans-124.984.9160.8-159.2-44.4000109.4W229 A233 D234W229-D231 PolarHBondContact O-N 2.9Å; W229-D231 VanDerWaalsContact O-N 3.09Å; D231-A233 VanDerWaalsContact C-N 3.35Å; D231-A233 PolarHBondContact OD1-N 3.25Å; D231-A233 VanDerWaalsContact OD1-N 3.08Å; D231-D234 PolarHBondContact OD1-N 3.47Å
232E34.7Very low40.3Very low187 Ų187120.1 Ų120.187%0.87466%0.661SS**  trans-106.543163.8-82.1-87.487.200107.9
233A38.6Very low42.1Very low88 Ų88114.4 Ų114.473%0.72765%0.651SS**SBendtrans-129.3-41.5-172.100000113.5D231D231-A233 VanDerWaalsContact C-N 3.35Å; D231-A233 PolarHBondContact OD1-N 3.25Å; D231-A233 VanDerWaalsContact OD1-N 3.08Å
234D34.3Very low44.4Very low76 Ų76114.7 Ų114.741%0.40664%0.644SS.*SBendtrans-104.35.1-171.9-122.6-40.8000115.5D231 N236 R237 G238D231-D234 PolarHBondContact OD1-N 3.47Å; D234-N236 PolarHBondContact O-N 2.93Å; D234-R237 PolarHBondContact O-N 2.83Å; D234-R237 VanDerWaalsContact OD1-CB 3.31Å; D234-R237 WeakPolarHBondContact OD1-CB 3.45Å; D234-R237 VanDerWaalsContact OD1-CD 3.24Å; D234-R237 WeakPolarHBondContact OD1-CD 3.25Å; D234-R237 WeakPolarHBondContact OD1-CG 3.08Å; D234-G238 PolarHBondContact O-N 3.5Å
235S43.4Very low46.8Very low95 Ų95108.9 Ų108.966%0.66461%0.613SS**THydrogen-bonded Turntrans-54.7-19.3179-67.10000115
236N40.7Very low49.1Very low162 Ų162107.8 Ų107.887%0.86659%0.589SS**THydrogen-bonded Turntrans-95.4-8178.8-158.335.5000114.8D234D234-N236 PolarHBondContact O-N 2.93Å
237R43.7Very low51.5Low193 Ų193104.8 Ų104.873%0.72857%0.57SS**THydrogen-bonded Turntrans-104-35.6173.6-63.3-178.5168.7157.5-7.7112.8D234 R239 G240D234-R237 PolarHBondContact O-N 2.83Å; D234-R237 VanDerWaalsContact OD1-CB 3.31Å; D234-R237 WeakPolarHBondContact OD1-CB 3.45Å; D234-R237 VanDerWaalsContact OD1-CD 3.24Å; D234-R237 WeakPolarHBondContact OD1-CD 3.25Å; D234-R237 WeakPolarHBondContact OD1-CG 3.08Å; R237-R239 PolarHBondContact O-N 2.91Å; R237-G240 PolarHBondContact O-N 3.48Å
238G48.3Very low53.8Low31 Ų31105.7 Ų105.732%0.3256%0.56SS.*Hα-helixtrans-57.2-25.2-174.300000115.8D234 G240 E241 A242D234-G238 PolarHBondContact O-N 3.5Å; G238-G240 VanDerWaalsContact C-N 3.34Å; G238-G240 PolarHBondContact O-N 3.48Å; G238-E241 PolarHBondContact O-N 3.07Å; G238-A242 WeakPolarHBondContact O-CB 3.36Å; G238-A242 PolarHBondContact O-N 3.04Å
239R47.3Very low56.1Low223 Ų223102.5 Ų102.584%0.84253%0.526SS*.Hα-helixtrans-65-34.6-179.5-156.9179.1-159-1393.6113.2R237 S243R237-R239 PolarHBondContact O-N 2.91Å; R239-S243 PolarHBondContact O-OG 3.48Å
240G55.7Low58.4Low43 Ų4393.7 Ų93.744%0.44349%0.493SS..Hα-helixtrans-78.7-40.8173.600000112.1R237 G238 S243 R244R237-G240 PolarHBondContact O-N 3.48Å; G238-G240 VanDerWaalsContact C-N 3.34Å; G238-G240 PolarHBondContact O-N 3.48Å; G240-S243 PolarHBondContact O-N 3.41Å; G240-R244 WeakPolarHBondContact O-CG 3.24Å; G240-R244 PolarHBondContact O-N 2.87Å
241E62Low60.5Low92 Ų9293.4 Ų93.443%0.4348%0.482SS..Hα-helixtrans-65.4-47.1-178-169.2176.1-126.300112.4G238 S243 R244 D245 R278G238-E241 PolarHBondContact O-N 3.07Å; E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 PolarHBondContact O-N 3.4Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 WeakPolarHBondContact O-CB 3.32Å; E241-R244 PolarHBondContact O-N 3.44Å; E241-D245 PolarHBondContact O-N 2.74Å; E241-R278 IonicContact OE2-CZ 2.64Å; E241-R278 IonicContact OE2-NH1 2.62Å; E241-R278 IonicContact OE2-NH2 2.78Å; E241-R278 PolarHBondContact OE2-NH2 3.38Å
242A64.4Low62.3Low17 Ų1792.2 Ų92.214%0.1448%0.475CS..Hα-helixtrans-57.4-42.7177.100000111.7G238 R244 D245 F246G238-A242 WeakPolarHBondContact O-CB 3.36Å; G238-A242 PolarHBondContact O-N 3.04Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.12Å; A242-D245 WeakPolarHBondContact O-CB 3.41Å; A242-D245 PolarHBondContact O-N 2.9Å; A242-F246 HydrophobicContact CB-CE2 4.37Å; A242-F246 WeakPolarHBondContact O-CD2 3.4Å; A242-F246 PolarHBondContact O-N 3.47Å
243S73.5Confident64.1Low73 Ų7386.8 Ų86.851%0.5145%0.452SS..Hα-helixtrans-61-33.9176.7-55.40000112.7R239 G240 E241 A247R239-S243 PolarHBondContact O-OG 3.48Å; G240-S243 PolarHBondContact O-N 3.41Å; E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 PolarHBondContact O-N 3.4Å; S243-A247 PolarHBondContact O-N 2.91Å
244R79.6Confident65.7Low186 Ų18689.5 Ų89.570%0.70245%0.454SS*.Hα-helixtrans-74.6-37.7174.9-65.7169.178.3-145.98.4112G240 E241 A242 F246 A247 K248G240-R244 WeakPolarHBondContact O-CG 3.24Å; G240-R244 PolarHBondContact O-N 2.87Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 WeakPolarHBondContact O-CB 3.32Å; E241-R244 PolarHBondContact O-N 3.44Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.12Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.14Å; R244-A247 PolarHBondContact O-N 3.09Å; R244-K248 WeakPolarHBondContact O-CB 3.44Å; R244-K248 PolarHBondContact O-N 3.4Å
245D80.1Confident67.6Low19 Ų1988.3 Ų88.310%0.10245%0.448CS..Hα-helixtrans-59.8-41.8171.3-73.3-25.1000110.8E241 A242 L249 R278 I279 V286E241-D245 PolarHBondContact O-N 2.74Å; A242-D245 WeakPolarHBondContact O-CB 3.41Å; A242-D245 PolarHBondContact O-N 2.9Å; D245-L249 PolarHBondContact O-N 3.11Å; D245-R278 IonicContact OD2-NE 2.99Å; D245-I279 HydrophobicContact CB-CB 4.31Å; D245-I279 HydrophobicContact CB-CD1 3.89Å; D245-I279 WeakPolarHBondContact O-CD1 3.37Å; D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 WeakPolarHBondContact OD1-CG1 3.33Å
246F81.4Confident69.4Low46 Ų4688 Ų8820%0.20244%0.444CS..Hα-helixtrans-63.6-53175.4-73.8-66.7000112.1A242 R244 K248 L249 Y250 F266 V276 I279A242-F246 HydrophobicContact CB-CE2 4.37Å; A242-F246 WeakPolarHBondContact O-CD2 3.4Å; A242-F246 PolarHBondContact O-N 3.47Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.14Å; F246-K248 PolarHBondContact O-N 2.9Å; F246-L249 PolarHBondContact O-N 2.89Å; F246-Y250 WeakPolarHBondContact O-CD2 3.27Å; F246-F266 HydrophobicContact CD1-CE1 4.26Å; F246-F266 AromaticContact CD1-CE2 3.88Å; F246-F266 HydrophobicContact CD1-CE2 3.88Å; F246-F266 AromaticContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CE1-CD1 4.37Å; F246-F266 AromaticContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE2 4.21Å; F246-F266 AromaticContact CE1-CZ 3.71Å; F246-F266 HydrophobicContact CE1-CZ 3.71Å; F246-V276 HydrophobicContact CE1-CB 4.29Å; F246-V276 HydrophobicContact CE1-CG1 3.91Å; F246-V276 HydrophobicContact CZ-CB 4.17Å; F246-V276 HydrophobicContact CZ-CG1 3.81Å; F246-V276 VanDerWaalsContact CZ-O 3.24Å; F246-V276 WeakPolarHBondContact CZ-O 3.46Å; F246-I279 HydrophobicContact CB-CD1 4.29Å; F246-I279 HydrophobicContact CD1-CD1 3.38Å; F246-I279 HydrophobicContact CD1-CG1 4.07Å; F246-I279 HydrophobicContact CD2-CD1 4.46Å; F246-I279 HydrophobicContact CE1-CD1 3.58Å; F246-I279 HydrophobicContact CE1-CG1 3.72Å; F246-I279 HydrophobicContact CG-CD1 3.81Å; F246-I279 HydrophobicContact CZ-CD1 4.17Å; F246-I279 HydrophobicContact CZ-CG1 4.15Å
247A81.6Confident71.5Confident42 Ų4286.6 Ų86.635%0.34743%0.43SS..Hα-helixtrans-52.1-45.1178.100000111.6S243 R244 L249 Y250 E251S243-A247 PolarHBondContact O-N 2.91Å; R244-A247 PolarHBondContact O-N 3.09Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 PolarHBondContact O-N 2.56Å; A247-Y250 PolarHBondContact O-N 2.96Å; A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.22Å
248K82Confident73.6Confident97 Ų9777.4 Ų77.442%0.42240%0.395SS..Hα-helixtrans-57.3-36178.6-169.1167.8-177.7170.20113.3R244 F246 Y250 E251 L252 V286R244-K248 WeakPolarHBondContact O-CB 3.44Å; R244-K248 PolarHBondContact O-N 3.4Å; F246-K248 PolarHBondContact O-N 2.9Å; K248-Y250 VanDerWaalsContact C-N 3.33Å; K248-Y250 PolarHBondContact O-N 3.04Å; K248-E251 PolarHBondContact O-N 3.06Å; K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 3.41Å; K248-L252 VanDerWaalsContact O-N 3.11Å; K248-V286 HydrophobicContact CB-CG2 4.4Å; K248-V286 HydrophobicContact CD-CG1 4.32Å; K248-V286 HydrophobicContact CD-CG2 3.78Å; K248-V286 HydrophobicContact CG-CG2 3.88Å
249L81.9Confident75.4Confident2 Ų280.1 Ų80.11%0.0140%0.398CS..Hα-helixtrans-66-31.4175.4-69-172.9000113.4D245 F246 A247 E251 L252 R258 L262 F266 I279 V286 L289D245-L249 PolarHBondContact O-N 3.11Å; F246-L249 PolarHBondContact O-N 2.89Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 PolarHBondContact O-N 2.56Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-L252 HydrophobicContact CD2-CD1 3.89Å; L249-R258 WeakPolarHBondContact O-CD 3.47Å; L249-L262 HydrophobicContact CB-CD1 3.88Å; L249-L262 HydrophobicContact CD1-CD2 4.27Å; L249-F266 HydrophobicContact CD1-CZ 4.18Å; L249-I279 HydrophobicContact CD1-CD1 3.45Å; L249-I279 VanDerWaalsContact CD1-CD1 3.45Å; L249-I279 HydrophobicContact CD1-CG1 3.84Å; L249-I279 HydrophobicContact CD1-CG2 4.11Å; L249-I279 HydrophobicContact CG-CD1 3.88Å; L249-V286 HydrophobicContact CD2-CB 4.39Å; L249-V286 HydrophobicContact CD2-CG2 4.01Å; L249-L289 HydrophobicContact CD1-CD1 4.14Å; L249-L289 HydrophobicContact CD1-CG 4.24Å
250Y80.6Confident77.4Confident51 Ų5175.7 Ų75.720%0.239%0.387CS..Hα-helixtrans-79.8-11.6174.9-62.9-85.5000113.4F246 A247 K248 K259 L262 D263 F266F246-Y250 WeakPolarHBondContact O-CD2 3.27Å; A247-Y250 PolarHBondContact O-N 2.96Å; K248-Y250 VanDerWaalsContact C-N 3.33Å; K248-Y250 PolarHBondContact O-N 3.04Å; Y250-K259 HydrophobicContact CD1-CB 4.02Å; Y250-K259 HydrophobicContact CD1-CD 4.28Å; Y250-K259 HydrophobicContact CD1-CG 3.99Å; Y250-K259 HydrophobicContact CE1-CB 4.39Å; Y250-K259 WeakPolarHBondContact O-CE 3.4Å; Y250-K259 PolarHBondContact O-NZ 3.35Å; Y250-L262 HydrophobicContact CD1-CB 4.41Å; Y250-L262 HydrophobicContact CD1-CD1 3.93Å; Y250-L262 HydrophobicContact CE1-CB 3.67Å; Y250-L262 HydrophobicContact CE1-CD1 4.01Å; Y250-L262 HydrophobicContact CG-CD1 4.24Å; Y250-D263 PolarHBondContact OH-OD1 3.48Å; Y250-F266 HydrophobicContact CE2-CE2 4.33Å; Y250-F266 WeakPolarHBondContact OH-CD2 3.06Å; Y250-F266 WeakPolarHBondContact OH-CE2 3.28Å
251E80.4Confident79.1Confident141 Ų14174.5 Ų74.566%0.65937%0.37SS*.Hα-helixtrans-102.6-18.1-177.9-69.7172.2178.300113.4A247 K248 L249 D253A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.22Å; K248-E251 PolarHBondContact O-N 3.06Å; L249-E251 VanDerWaalsContact C-N 3.3Å; E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 3.21Å
252L75.1Confident80.4Confident72 Ų7270.1 Ų70.138%0.37735%0.349SS..SBendtrans-60.6-28.8-177.2-83.7172.4000114.6K248 L249 V286 D288K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 3.41Å; K248-L252 VanDerWaalsContact O-N 3.11Å; L249-L252 HydrophobicContact CD2-CD1 3.89Å; L252-V286 HydrophobicContact CD1-CG2 4.27Å; L252-D288 HydrophobicContact CD1-CB 3.99Å
253D71.8Confident81.6Confident74 Ų7473.4 Ų73.440%0.39636%0.364SS..  trans-151.6147.7168.5-76.7-76000110.2E251 D255 R258E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 3.21Å; D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 2.91Å; D253-R258 IonicContact OD2-CZ 2.71Å; D253-R258 IonicContact OD2-NH1 3.07Å; D253-R258 PolarHBondContact OD2-NH1 3.37Å; D253-R258 IonicContact OD2-NH2 2.8Å; D253-R258 PolarHBondContact OD2-NH2 3.12Å
254N70.9Confident82.4Confident145 Ų14572.6 Ų72.678%0.77535%0.354SS*.  trans-87.427.2179.5-71.8-71.2000114.3P256N254-P256 WeakPolarHBondContact O-CD 3.23Å
255D76.3Confident82.9Confident50 Ų5063.7 Ų63.727%0.26732%0.321SS..  trans-76.9121.1172.1-173.3-19.5000109.9D253 K257 R258 Y290D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 2.91Å; D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 VanDerWaalsContact O-N 3.13Å; D255-K257 VanDerWaalsContact OD1-CB 3.3Å; D255-K257 WeakPolarHBondContact OD1-CB 3.36Å; D255-K257 WeakPolarHBondContact OD1-CG 3.25Å; D255-K257 PolarHBondContact OD1-N 3.22Å; D255-R258 WeakPolarHBondContact O-CB 3.24Å; D255-R258 PolarHBondContact O-N 3.17Å; D255-Y290 PolarHBondContact OD2-OH 2.91Å
256P80.3Confident83.3Confident89 Ų8964.4 Ų64.458%0.57832%0.323SS*.Hα-helixtrans-51.3-36.5175.7-27.835.8000113.4N254 R258 K259 E260N254-P256 WeakPolarHBondContact O-CD 3.23Å; P256-R258 PolarHBondContact O-N 2.83Å; P256-K259 PolarHBondContact O-N 3.44Å; P256-K259 VanDerWaalsContact O-N 3.08Å; P256-E260 PolarHBondContact O-N 3.5Å
257K84.8Confident83.7Confident132 Ų13265.3 Ų65.357%0.57433%0.332SS*.Hα-helixtrans-67-19.6-178.9-61.7167.4-177167.20112.9D255 F261D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 VanDerWaalsContact O-N 3.13Å; D255-K257 VanDerWaalsContact OD1-CB 3.3Å; D255-K257 WeakPolarHBondContact OD1-CB 3.36Å; D255-K257 WeakPolarHBondContact OD1-CG 3.25Å; D255-K257 PolarHBondContact OD1-N 3.22Å; K257-F261 WeakPolarHBondContact O-CB 3.28Å; K257-F261 PolarHBondContact O-N 3.35Å; K257-F261 VanDerWaalsContact O-N 3.12Å
258R88.3Confident84.1Confident1 Ų164.1 Ų64.10%0.00432%0.319CS..Hα-helixtrans-67.5-43.9171.9176.2163.2-64.4178.513.7110.8L249 D253 D255 P256 F261 L262 D288 Y290L249-R258 WeakPolarHBondContact O-CD 3.47Å; D253-R258 IonicContact OD2-CZ 2.71Å; D253-R258 IonicContact OD2-NH1 3.07Å; D253-R258 PolarHBondContact OD2-NH1 3.37Å; D253-R258 IonicContact OD2-NH2 2.8Å; D253-R258 PolarHBondContact OD2-NH2 3.12Å; D255-R258 WeakPolarHBondContact O-CB 3.24Å; D255-R258 PolarHBondContact O-N 3.17Å; P256-R258 PolarHBondContact O-N 2.83Å; R258-F261 PolarHBondContact O-N 3.37Å; R258-L262 HydrophobicContact CG-CD1 3.79Å; R258-L262 HydrophobicContact CG-CG 4.35Å; R258-L262 WeakPolarHBondContact O-CB 3.44Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.06Å; R258-L262 PolarHBondContact O-N 3.01Å; R258-D288 IonicContact CZ-OD1 2.62Å; R258-D288 IonicContact CZ-OD2 3.93Å; R258-D288 IonicContact NE-OD2 2.82Å; R258-D288 IonicContact NH1-OD2 3.09Å; R258-D288 PolarHBondContact NH1-OD2 2.85Å; R258-D288 IonicContact NH2-OD2 3.93Å; R258-D288 PolarHBondContact NH2-OD2 3.3Å; R258-Y290 HydrophobicContact CB-CD1 4.37Å; R258-Y290 HydrophobicContact CB-CD2 4.13Å; R258-Y290 HydrophobicContact CB-CE2 4.34Å; R258-Y290 HydrophobicContact CB-CG 4.13Å; R258-Y290 HydrophobicContact CG-CD1 4.44Å; R258-Y290 HydrophobicContact CG-CD2 4.36Å; R258-Y290 HydrophobicContact CG-CG 4.02Å; R258-Y290 VanDerWaalsContact NE-CD1 3.29Å; R258-Y290 VanDerWaalsContact NH2-CD1 3.33Å
259K85.6Confident84.3Confident87 Ų8759.8 Ų59.838%0.37830%0.301SS..Hα-helixtrans-69.1-49.7-177.1-49.2-156.8177.3-168.20110.2Y250 P256 F261 L262 D263Y250-K259 HydrophobicContact CD1-CB 4.02Å; Y250-K259 HydrophobicContact CD1-CD 4.28Å; Y250-K259 HydrophobicContact CD1-CG 3.99Å; Y250-K259 HydrophobicContact CE1-CB 4.39Å; Y250-K259 WeakPolarHBondContact O-CE 3.4Å; Y250-K259 PolarHBondContact O-NZ 3.35Å; P256-K259 PolarHBondContact O-N 3.44Å; P256-K259 VanDerWaalsContact O-N 3.08Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.48Å; K259-L262 PolarHBondContact O-N 3.23Å; K259-L262 VanDerWaalsContact O-N 3.14Å; K259-D263 PolarHBondContact O-N 3.37Å
260E89.3Confident84.6Confident130 Ų13065.7 Ų65.761%0.60733%0.328SS*.Hα-helixtrans-52.5-45.1173.1-65.4172.3179.800112.9P256 D264P256-E260 PolarHBondContact O-N 3.5Å; E260-D264 WeakPolarHBondContact O-CB 3.32Å; E260-D264 PolarHBondContact O-N 3.47Å; E260-D264 VanDerWaalsContact O-N 3.1Å
261F90.5Very high84.9Confident18 Ų1871.2 Ų71.28%0.07935%0.353CS..Hα-helixtrans-66.5-44.7177.6168.7-89.4000112.7K257 R258 K259 D264 L265 Y290 Y293 L339 Y342K257-F261 WeakPolarHBondContact O-CB 3.28Å; K257-F261 PolarHBondContact O-N 3.35Å; K257-F261 VanDerWaalsContact O-N 3.12Å; R258-F261 PolarHBondContact O-N 3.37Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.48Å; F261-D264 PolarHBondContact O-N 2.66Å; F261-L265 HydrophobicContact CD1-CD2 4.44Å; F261-L265 HydrophobicContact CE1-CB 4.41Å; F261-L265 HydrophobicContact CE1-CD2 3.57Å; F261-L265 HydrophobicContact CZ-CD2 3.79Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å; F261-L265 PolarHBondContact O-N 3.47Å; F261-Y290 HydrophobicContact CB-CD2 3.76Å; F261-Y290 HydrophobicContact CB-CE2 4.15Å; F261-Y290 AromaticContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CG 4.25Å; F261-Y290 HydrophobicContact CD2-CD2 4.49Å; F261-Y290 HydrophobicContact CE1-CD2 4.37Å; F261-Y290 AromaticContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CE2 4.41Å; F261-Y293 HydrophobicContact CD2-CD1 4.11Å; F261-Y293 HydrophobicContact CD2-CE1 4.39Å; F261-Y293 AromaticContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD2 4.24Å; F261-Y293 AromaticContact CE2-CE1 3.72Å; F261-Y293 HydrophobicContact CE2-CE1 3.72Å; F261-Y293 AromaticContact CE2-CG 3.56Å; F261-Y293 HydrophobicContact CE2-CG 3.56Å; F261-Y293 AromaticContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD2 4.33Å; F261-Y293 AromaticContact CZ-CG 3.6Å; F261-Y293 HydrophobicContact CZ-CG 3.6Å; F261-L339 HydrophobicContact CZ-CD2 4.06Å; F261-Y342 HydrophobicContact CD2-CE1 4.02Å; F261-Y342 HydrophobicContact CE2-CD1 4.21Å; F261-Y342 AromaticContact CE2-CE1 3.47Å; F261-Y342 HydrophobicContact CE2-CE1 3.47Å; F261-Y342 VanDerWaalsContact CE2-CE1 3.47Å; F261-Y342 AromaticContact CE2-CZ 3.98Å; F261-Y342 HydrophobicContact CZ-CE1 4.36Å
262L89.4Confident85.1Confident1 Ų170.2 Ų70.21%0.00534%0.344CS..Hα-helixtrans-65.7-43.2-179.1-72.8171.6000110.8L249 Y250 R258 K259 L265 F266 L289L249-L262 HydrophobicContact CB-CD1 3.88Å; L249-L262 HydrophobicContact CD1-CD2 4.27Å; Y250-L262 HydrophobicContact CD1-CB 4.41Å; Y250-L262 HydrophobicContact CD1-CD1 3.93Å; Y250-L262 HydrophobicContact CE1-CB 3.67Å; Y250-L262 HydrophobicContact CE1-CD1 4.01Å; Y250-L262 HydrophobicContact CG-CD1 4.24Å; R258-L262 HydrophobicContact CG-CD1 3.79Å; R258-L262 HydrophobicContact CG-CG 4.35Å; R258-L262 WeakPolarHBondContact O-CB 3.44Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.06Å; R258-L262 PolarHBondContact O-N 3.01Å; K259-L262 PolarHBondContact O-N 3.23Å; K259-L262 VanDerWaalsContact O-N 3.14Å; L262-L265 PolarHBondContact O-N 2.86Å; L262-F266 HydrophobicContact CB-CD2 4.34Å; L262-F266 HydrophobicContact CB-CE2 3.94Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CD2-CZ 4.06Å; L262-F266 WeakPolarHBondContact O-CB 3.41Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 VanDerWaalsContact O-CG 3.24Å; L262-F266 WeakPolarHBondContact O-CG 3.49Å; L262-F266 PolarHBondContact O-N 3.42Å; L262-L289 HydrophobicContact CD2-CB 4.36Å
263D89.6Confident85.3Confident85 Ų8569.7 Ų69.746%0.45536%0.356SS..Hα-helixtrans-61.9-45.4176.9-70.9-30.6000111.8Y250 K259 T267Y250-D263 PolarHBondContact OH-OD1 3.48Å; K259-D263 PolarHBondContact O-N 3.37Å; D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 2.88Å; D263-T267 PolarHBondContact O-OG1 2.83Å
264D92Very high85.9Confident56 Ų5669.8 Ų69.830%0.29936%0.359SS..Hα-helixtrans-64.8-44.5175.7-177.451.2000111.8E260 F261 T267 F268 Y342 R346E260-D264 WeakPolarHBondContact O-CB 3.32Å; E260-D264 PolarHBondContact O-N 3.47Å; E260-D264 VanDerWaalsContact O-N 3.1Å; F261-D264 PolarHBondContact O-N 2.66Å; D264-T267 PolarHBondContact O-N 3.11Å; D264-F268 WeakPolarHBondContact O-CB 3.46Å; D264-F268 PolarHBondContact O-N 3.41Å; D264-Y342 VanDerWaalsContact OD2-CE2 3.22Å; D264-Y342 WeakPolarHBondContact OD2-CE2 3.43Å; D264-Y342 PolarHBondContact OD2-OH 2.76Å; D264-R346 IonicContact OD2-CZ 2.64Å; D264-R346 IonicContact OD2-NH1 2.75Å; D264-R346 PolarHBondContact OD2-NH1 2.86Å
265L89.6Confident86.2Confident0 Ų065.1 Ų65.10%034%0.336CS..Hα-helixtrans-63.2-44178.8176.164.7000112.6F261 L262 M269 L289 L339 Y342F261-L265 HydrophobicContact CD1-CD2 4.44Å; F261-L265 HydrophobicContact CE1-CB 4.41Å; F261-L265 HydrophobicContact CE1-CD2 3.57Å; F261-L265 HydrophobicContact CZ-CD2 3.79Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å; F261-L265 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 2.86Å; L265-M269 HydrophobicContact CD1-CE 3.65Å; L265-M269 HydrophobicContact CD2-CE 4.22Å; L265-M269 HydrophobicContact CG-CE 3.55Å; L265-M269 WeakPolarHBondContact O-CE 3.36Å; L265-M269 PolarHBondContact O-N 3.21Å; L265-L289 HydrophobicContact CD2-CB 4.26Å; L265-L289 HydrophobicContact CD2-CD1 4.33Å; L265-L339 HydrophobicContact CD1-CD2 4.09Å; L265-L339 HydrophobicContact CD2-CD2 3.59Å; L265-Y342 HydrophobicContact CB-CE2 4.28Å; L265-Y342 HydrophobicContact CD1-CD1 4.25Å; L265-Y342 HydrophobicContact CD1-CD2 3.74Å; L265-Y342 HydrophobicContact CD1-CE2 4.29Å; L265-Y342 HydrophobicContact CD1-CG 3.69Å
266F88.5Confident86.4Confident34 Ų3463.5 Ų63.515%0.14933%0.328CS..Hα-helixtrans-70.1-41.7176.1-63.2-40.8000111.3F246 L249 Y250 L262 F268 M269 Q270 V276 L289F246-F266 HydrophobicContact CD1-CE1 4.26Å; F246-F266 AromaticContact CD1-CE2 3.88Å; F246-F266 HydrophobicContact CD1-CE2 3.88Å; F246-F266 AromaticContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CE1-CD1 4.37Å; F246-F266 AromaticContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE2 4.21Å; F246-F266 AromaticContact CE1-CZ 3.71Å; F246-F266 HydrophobicContact CE1-CZ 3.71Å; L249-F266 HydrophobicContact CD1-CZ 4.18Å; Y250-F266 HydrophobicContact CE2-CE2 4.33Å; Y250-F266 WeakPolarHBondContact OH-CD2 3.06Å; Y250-F266 WeakPolarHBondContact OH-CE2 3.28Å; L262-F266 HydrophobicContact CB-CD2 4.34Å; L262-F266 HydrophobicContact CB-CE2 3.94Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CD2-CZ 4.06Å; L262-F266 WeakPolarHBondContact O-CB 3.41Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 VanDerWaalsContact O-CG 3.24Å; L262-F266 WeakPolarHBondContact O-CG 3.49Å; L262-F266 PolarHBondContact O-N 3.42Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.26Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 PolarHBondContact O-N 3.31Å; F266-Q270 VanDerWaalsContact O-CB 3.32Å; F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 2.91Å; F266-V276 HydrophobicContact CD1-CB 4.22Å; F266-V276 HydrophobicContact CD1-CG2 3.83Å; F266-V276 HydrophobicContact CE1-CB 4.32Å; F266-V276 HydrophobicContact CE1-CG1 4.36Å; F266-V276 HydrophobicContact CE1-CG2 4.09Å; F266-L289 HydrophobicContact CE1-CD1 4.15Å; F266-L289 HydrophobicContact CZ-CD1 4.48Å
267T89.8Confident86.2Confident65 Ų6565.6 Ų65.640%0.39933%0.334SS..Hα-helixtrans-59-41.1173.7-640000111.7D263 D264 Q270 K271D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 2.88Å; D263-T267 PolarHBondContact O-OG1 2.83Å; D264-T267 PolarHBondContact O-N 3.11Å; T267-Q270 PolarHBondContact O-N 2.95Å; T267-K271 HydrophobicContact CG2-CD 4.09Å; T267-K271 WeakPolarHBondContact O-CB 3.39Å; T267-K271 VanDerWaalsContact O-CG 3.26Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 3.47Å
268F88.6Confident85.9Confident16 Ų1664.9 Ų64.97%0.0733%0.328CS..Hα-helixtrans-63.2-49.4176.6171-104.6000112.5D264 F266 Q270 K271 R272 P341 Y342 E345D264-F268 WeakPolarHBondContact O-CB 3.46Å; D264-F268 PolarHBondContact O-N 3.41Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.26Å; F268-Q270 VanDerWaalsContact C-N 3.33Å; F268-Q270 PolarHBondContact O-N 3.43Å; F268-K271 PolarHBondContact O-N 3.07Å; F268-R272 HydrophobicContact CE2-CG 4.27Å; F268-R272 HydrophobicContact CZ-CG 4.43Å; F268-R272 PolarHBondContact O-N 3.44Å; F268-P341 HydrophobicContact CE1-CB 4.16Å; F268-P341 HydrophobicContact CZ-CB 4.38Å; F268-Y342 HydrophobicContact CB-CD2 4.15Å; F268-Y342 AromaticContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CG 4.3Å; F268-Y342 HydrophobicContact CE1-CD2 4.17Å; F268-Y342 HydrophobicContact CE1-CG 4.42Å; F268-Y342 AromaticContact CG-CD2 3.89Å; F268-Y342 HydrophobicContact CG-CD2 3.89Å; F268-E345 HydrophobicContact CE2-CB 4.26Å; F268-E345 VanDerWaalsContact CE2-CD 3.5Å; F268-E345 HydrophobicContact CE2-CG 4.43Å; F268-E345 WeakPolarHBondContact CE2-OE1 3.41Å; F268-E345 WeakPolarHBondContact CE2-OE2 3.48Å; F268-E345 HydrophobicContact CZ-CB 4.3Å
269M87.5Confident85.8Confident6 Ų665 Ų653%0.0333%0.329CS..Hα-helixtrans-64.7-35.9176.5-87.1-176.1-75.700112.8L265 F266 R272 G273 T274 V276 Y338L265-M269 HydrophobicContact CD1-CE 3.65Å; L265-M269 HydrophobicContact CD2-CE 4.22Å; L265-M269 HydrophobicContact CG-CE 3.55Å; L265-M269 WeakPolarHBondContact O-CE 3.36Å; L265-M269 PolarHBondContact O-N 3.21Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 PolarHBondContact O-N 3.31Å; M269-R272 PolarHBondContact O-N 3.4Å; M269-G273 PolarHBondContact O-N 3.24Å; M269-T274 WeakPolarHBondContact CB-O 3.27Å; M269-T274 CarbonylContact O-C 3.58Å; M269-T274 PolarHBondContact O-N 3.23Å; M269-T274 PolarHBondContact O-OG1 3.19Å; M269-V276 HydrophobicContact CB-CG2 4.4Å; M269-V276 HydrophobicContact CE-CG2 3.38Å; M269-V276 HydrophobicContact SD-CG2 3.51Å; M269-V276 VanDerWaalsContact SD-CG2 3.51Å; M269-Y338 HydrophobicContact CE-CD1 4.41Å; M269-Y338 HydrophobicContact SD-CD1 3.78Å
270Q87Confident85.8Confident126 Ų12661.4 Ų61.459%0.58932%0.315SS*.Hα-helixtrans-62.4-47.6172.6-168.169.650.800111.5F266 T267 F268 R272 G273F266-Q270 VanDerWaalsContact O-CB 3.32Å; F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 2.91Å; T267-Q270 PolarHBondContact O-N 2.95Å; F268-Q270 VanDerWaalsContact C-N 3.33Å; F268-Q270 PolarHBondContact O-N 3.43Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 2.87Å; Q270-G273 PolarHBondContact O-N 3.27Å; Q270-G273 VanDerWaalsContact O-N 3.12Å
271K88.6Confident85.6Confident167 Ų16759.1 Ų59.173%0.72631%0.306SS*.Hα-helixtrans-60.3-36176.2-76.5168179.2170.90112.8T267 F268 G273T267-K271 HydrophobicContact CG2-CD 4.09Å; T267-K271 WeakPolarHBondContact O-CB 3.39Å; T267-K271 VanDerWaalsContact O-CG 3.26Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 3.47Å; F268-K271 PolarHBondContact O-N 3.07Å; K271-G273 PolarHBondContact O-N 3.32Å
272R83.3Confident85.4Confident121 Ų12159 Ų5946%0.45731%0.305SS..THydrogen-bonded Turntrans-82.310.9177-68.5-179.168.1-99.10.6114.2F268 M269 Q270 T274F268-R272 HydrophobicContact CE2-CG 4.27Å; F268-R272 HydrophobicContact CZ-CG 4.43Å; F268-R272 PolarHBondContact O-N 3.44Å; M269-R272 PolarHBondContact O-N 3.4Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 2.87Å; R272-T274 PolarHBondContact O-N 3.11Å; R272-T274 VanDerWaalsContact O-N 3.17Å
273G80.1Confident85.1Confident61 Ų6161.4 Ų61.463%0.62933%0.326SS*.THydrogen-bonded Turntrans66.116.3178.100000114.6M269 Q270 K271 P275M269-G273 PolarHBondContact O-N 3.24Å; Q270-G273 PolarHBondContact O-N 3.27Å; Q270-G273 VanDerWaalsContact O-N 3.12Å; K271-G273 PolarHBondContact O-N 3.32Å; G273-P275 VanDerWaalsContact O-CD 3.3Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å
274T83.3Confident84.7Confident75 Ų7567 Ų6746%0.4635%0.346SS..  trans-120.557.7-178.845.40000110.7M269 R272M269-T274 WeakPolarHBondContact CB-O 3.27Å; M269-T274 CarbonylContact O-C 3.58Å; M269-T274 PolarHBondContact O-N 3.23Å; M269-T274 PolarHBondContact O-OG1 3.19Å; R272-T274 PolarHBondContact O-N 3.11Å; R272-T274 VanDerWaalsContact O-N 3.17Å
275P78.3Confident84.3Confident47 Ų4769.2 Ų69.231%0.30536%0.355SS..  trans-60.2144.6-174.428-36.8000112.3G273 N277G273-P275 VanDerWaalsContact O-CD 3.3Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-N277 PolarHBondContact O-N 3.11Å
276V80.1Confident84.3Confident17 Ų1770 Ų7010%0.10336%0.359CS..  trans-76.293.9174.1-173.90000108.1F246 F266 M269 R278 I279 Y338F246-V276 HydrophobicContact CE1-CB 4.29Å; F246-V276 HydrophobicContact CE1-CG1 3.91Å; F246-V276 HydrophobicContact CZ-CB 4.17Å; F246-V276 HydrophobicContact CZ-CG1 3.81Å; F246-V276 VanDerWaalsContact CZ-O 3.24Å; F246-V276 WeakPolarHBondContact CZ-O 3.46Å; F266-V276 HydrophobicContact CD1-CB 4.22Å; F266-V276 HydrophobicContact CD1-CG2 3.83Å; F266-V276 HydrophobicContact CE1-CB 4.32Å; F266-V276 HydrophobicContact CE1-CG1 4.36Å; F266-V276 HydrophobicContact CE1-CG2 4.09Å; M269-V276 HydrophobicContact CB-CG2 4.4Å; M269-V276 HydrophobicContact CE-CG2 3.38Å; M269-V276 HydrophobicContact SD-CG2 3.51Å; M269-V276 VanDerWaalsContact SD-CG2 3.51Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 WeakPolarHBondContact CG1-O 3.48Å; V276-I279 HydrophobicContact CG1-CG1 4.34Å; V276-Y338 HydrophobicContact CB-CE1 4.37Å; V276-Y338 HydrophobicContact CG1-CD1 4.41Å; V276-Y338 HydrophobicContact CG1-CE1 3.88Å; V276-Y338 HydrophobicContact CG2-CD1 3.89Å; V276-Y338 HydrophobicContact CG2-CE1 3.99Å
277N75.3Confident84.4Confident132 Ų13268.6 Ų68.671%0.70635%0.353SS*.SBendtrans-77.6-21.2175.8-67.1-10.7000112.8P275P275-N277 PolarHBondContact O-N 3.11Å
278R79.6Confident84.5Confident118 Ų11866.6 Ų66.645%0.44534%0.34SS..SBendtrans-155.5142.3173.4-164.4177.6-174.1152.512.7110.3E241 D245 V276 Y338E241-R278 IonicContact OE2-CZ 2.64Å; E241-R278 IonicContact OE2-NH1 2.62Å; E241-R278 IonicContact OE2-NH2 2.78Å; E241-R278 PolarHBondContact OE2-NH2 3.38Å; D245-R278 IonicContact OD2-NE 2.99Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 WeakPolarHBondContact CG1-O 3.48Å; R278-Y338 PolarHBondContact O-OH 3.2Å; R278-Y338 VanDerWaalsContact O-OH 3.1Å
279I85.6Confident84.6Confident3 Ų365.9 Ų65.92%0.01534%0.337CS..  trans-77.4142.9174-72.7153.6000110.1D245 F246 L249 V276 V286D245-I279 HydrophobicContact CB-CB 4.31Å; D245-I279 HydrophobicContact CB-CD1 3.89Å; D245-I279 WeakPolarHBondContact O-CD1 3.37Å; F246-I279 HydrophobicContact CB-CD1 4.29Å; F246-I279 HydrophobicContact CD1-CD1 3.38Å; F246-I279 HydrophobicContact CD1-CG1 4.07Å; F246-I279 HydrophobicContact CD2-CD1 4.46Å; F246-I279 HydrophobicContact CE1-CD1 3.58Å; F246-I279 HydrophobicContact CE1-CG1 3.72Å; F246-I279 HydrophobicContact CG-CD1 3.81Å; F246-I279 HydrophobicContact CZ-CD1 4.17Å; F246-I279 HydrophobicContact CZ-CG1 4.15Å; L249-I279 HydrophobicContact CD1-CD1 3.45Å; L249-I279 VanDerWaalsContact CD1-CD1 3.45Å; L249-I279 HydrophobicContact CD1-CG1 3.84Å; L249-I279 HydrophobicContact CD1-CG2 4.11Å; L249-I279 HydrophobicContact CG-CD1 3.88Å; V276-I279 HydrophobicContact CG1-CG1 4.34Å; I279-V286 HydrophobicContact CG2-CB 4.19Å
280P85.3Confident84.8Confident12 Ų1266.8 Ų66.88%0.07834%0.34CS..  trans-64.7137.1174.3-22.535000112.5L287 Q334 Y338P280-L287 HydrophobicContact CB-CB 4.12Å; P280-L287 HydrophobicContact CB-CD2 3.99Å; P280-L287 HydrophobicContact CG-CD2 4.39Å; P280-L287 VanDerWaalsContact O-CB 3.24Å; P280-L287 WeakPolarHBondContact O-CB 3.25Å; P280-L287 PolarHBondContact O-N 3.27Å; P280-Q334 HydrophobicContact CB-CB 4.31Å; P280-Q334 HydrophobicContact CB-CG 3.72Å; P280-Q334 HydrophobicContact CG-CB 4.14Å; P280-Q334 HydrophobicContact CG-CG 4Å; P280-Y338 HydrophobicContact CG-CD2 3.79Å; P280-Y338 HydrophobicContact CG-CE2 3.39Å
281I86Confident85Confident82 Ų8262.7 Ų62.742%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-106.4131.8172.1-61174.1000108.1Q285I281-Q285 CarbonylContact C-O 3.35Å; I281-Q285 VanDerWaalsContact CA-O 3.32Å; I281-Q285 WeakPolarHBondContact CA-O 3.31Å; I281-Q285 WeakPolarHBondContact CG2-O 3.42Å
282M85.4Confident85.3Confident14 Ų1454.8 Ų54.87%0.06929%0.287CS..EExtended strand (participates in β ladder)trans-130.3134.9169.8-165.7163.17900109.6K284 Q285 L320 A327 T330 L331M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 3.17Å; M282-Q285 PolarHBondContact N-O 2.93Å; M282-Q285 PolarHBondContact O-N 2.71Å; M282-Q285 VanDerWaalsContact O-O 3.05Å; M282-L320 HydrophobicContact CE-CD1 3.33Å; M282-A327 HydrophobicContact CE-CB 4.04Å; M282-A327 HydrophobicContact SD-CB 4.46Å; M282-T330 HydrophobicContact CG-CG2 4.3Å; M282-T330 HydrophobicContact SD-CG2 3.55Å; M282-T330 VanDerWaalsContact SD-CG2 3.55Å; M282-L331 HydrophobicContact CE-CD1 4.15Å; M282-L331 HydrophobicContact CE-CD2 3.63Å; M282-L331 HydrophobicContact CE-CG 3.69Å; M282-L331 HydrophobicContact SD-CD2 4.42Å; M282-L331 HydrophobicContact SD-CG 4.35Å
283A83.4Confident85.8Confident53 Ų5350 Ų5044%0.43827%0.269SS..THydrogen-bonded Turntrans50.839.7-177.500000115Q285 I324A283-Q285 PolarHBondContact O-N 3.46Å; A283-I324 HydrophobicContact CB-CD1 3.62Å
284K82.2Confident86.4Confident203 Ų20351.4 Ų51.488%0.88326%0.258SS*.THydrogen-bonded Turntrans64.49.4-174.9-51179.7178.6-1800115.4M282M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 3.17Å
285Q83.9Confident86.9Confident102 Ų10249.1 Ų49.148%0.47724%0.243SC..EExtended strand (participates in β ladder)trans-110.7148.5174.1-65.5179.7-19.900110.4I281 M282 A283I281-Q285 CarbonylContact C-O 3.35Å; I281-Q285 VanDerWaalsContact CA-O 3.32Å; I281-Q285 WeakPolarHBondContact CA-O 3.31Å; I281-Q285 WeakPolarHBondContact CG2-O 3.42Å; M282-Q285 PolarHBondContact N-O 2.93Å; M282-Q285 PolarHBondContact O-N 2.71Å; M282-Q285 VanDerWaalsContact O-O 3.05Å; A283-Q285 PolarHBondContact O-N 3.46Å
286V88.8Confident87.6Confident16 Ų1646.9 Ų46.910%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-67.5137.5170.9-65.40000109.1D245 K248 L249 L252 I279 D288D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 WeakPolarHBondContact OD1-CG1 3.33Å; K248-V286 HydrophobicContact CB-CG2 4.4Å; K248-V286 HydrophobicContact CD-CG1 4.32Å; K248-V286 HydrophobicContact CD-CG2 3.78Å; K248-V286 HydrophobicContact CG-CG2 3.88Å; L249-V286 HydrophobicContact CD2-CB 4.39Å; L249-V286 HydrophobicContact CD2-CG2 4.01Å; L252-V286 HydrophobicContact CD1-CG2 4.27Å; I279-V286 HydrophobicContact CG2-CB 4.19Å; V286-D288 PolarHBondContact O-N 3.26Å
287L89.9Confident88.2Confident5 Ų546.8 Ų46.83%0.02623%0.228CC..  trans-77.2114-179-178.860.8000110.1P280 L289 L292 L318 L331 Q334P280-L287 HydrophobicContact CB-CB 4.12Å; P280-L287 HydrophobicContact CB-CD2 3.99Å; P280-L287 HydrophobicContact CG-CD2 4.39Å; P280-L287 VanDerWaalsContact O-CB 3.24Å; P280-L287 WeakPolarHBondContact O-CB 3.25Å; P280-L287 PolarHBondContact O-N 3.27Å; L287-L289 PolarHBondContact O-N 3.11Å; L287-L292 HydrophobicContact CD1-CD2 4.24Å; L287-L292 HydrophobicContact CD2-CD2 3.85Å; L287-L292 HydrophobicContact CG-CD2 4.12Å; L287-L318 HydrophobicContact CD1-CD1 4.23Å; L287-L331 HydrophobicContact CD1-CD2 3.58Å; L287-L331 HydrophobicContact CD2-CD2 4.38Å; L287-Q334 HydrophobicContact CD2-CB 3.68Å; L287-Q334 HydrophobicContact CD2-CG 3.93Å
288D91.9Very high89.1Confident23 Ų2347.2 Ų47.212%0.12323%0.226CC..  trans-64100.3175.6-170.4-28.8000110.9L252 R258 V286 Y290 M291 L292L252-D288 HydrophobicContact CD1-CB 3.99Å; R258-D288 IonicContact CZ-OD1 2.62Å; R258-D288 IonicContact CZ-OD2 3.93Å; R258-D288 IonicContact NE-OD2 2.82Å; R258-D288 IonicContact NH1-OD2 3.09Å; R258-D288 PolarHBondContact NH1-OD2 2.85Å; R258-D288 IonicContact NH2-OD2 3.93Å; R258-D288 PolarHBondContact NH2-OD2 3.3Å; V286-D288 PolarHBondContact O-N 3.26Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; D288-Y290 PolarHBondContact O-N 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.24Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.45Å; D288-Y290 PolarHBondContact OD1-N 3.41Å; D288-M291 HydrophobicContact CB-CB 4.13Å; D288-M291 PolarHBondContact OD1-N 3.14Å; D288-L292 WeakPolarHBondContact O-CB 3.23Å; D288-L292 PolarHBondContact O-N 2.91Å
289L91.6Very high89.7Confident1 Ų144.6 Ų44.61%0.00522%0.218CC..Hα-helixtrans-67.8-30.9-180-60.6-178.7000112.4L249 L262 L265 F266 L287 Y293 L339L249-L289 HydrophobicContact CD1-CD1 4.14Å; L249-L289 HydrophobicContact CD1-CG 4.24Å; L262-L289 HydrophobicContact CD2-CB 4.36Å; L265-L289 HydrophobicContact CD2-CB 4.26Å; L265-L289 HydrophobicContact CD2-CD1 4.33Å; F266-L289 HydrophobicContact CE1-CD1 4.15Å; F266-L289 HydrophobicContact CZ-CD1 4.48Å; L287-L289 PolarHBondContact O-N 3.11Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.29Å; L289-Y293 PolarHBondContact O-N 3.04Å; L289-L339 HydrophobicContact CB-CD2 4.39Å
290Y91.7Very high89.9Confident24 Ų2446 Ų469%0.09423%0.233CC..Hα-helixtrans-72.5-51.1178.9170.5-88.8000110.8D255 R258 F261 D288 L292 Y293 K294D255-Y290 PolarHBondContact OD2-OH 2.91Å; R258-Y290 HydrophobicContact CB-CD1 4.37Å; R258-Y290 HydrophobicContact CB-CD2 4.13Å; R258-Y290 HydrophobicContact CB-CE2 4.34Å; R258-Y290 HydrophobicContact CB-CG 4.13Å; R258-Y290 HydrophobicContact CG-CD1 4.44Å; R258-Y290 HydrophobicContact CG-CD2 4.36Å; R258-Y290 HydrophobicContact CG-CG 4.02Å; R258-Y290 VanDerWaalsContact NE-CD1 3.29Å; R258-Y290 VanDerWaalsContact NH2-CD1 3.33Å; F261-Y290 HydrophobicContact CB-CD2 3.76Å; F261-Y290 HydrophobicContact CB-CE2 4.15Å; F261-Y290 AromaticContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CG 4.25Å; F261-Y290 HydrophobicContact CD2-CD2 4.49Å; F261-Y290 HydrophobicContact CE1-CD2 4.37Å; F261-Y290 AromaticContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CE2 4.41Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; D288-Y290 PolarHBondContact O-N 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.24Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.45Å; D288-Y290 PolarHBondContact OD1-N 3.41Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 2.95Å; Y290-Y293 PolarHBondContact O-N 3.2Å; Y290-K294 HydrophobicContact CE1-CD 3.94Å; Y290-K294 VanDerWaalsContact O-CB 3.28Å; Y290-K294 WeakPolarHBondContact O-CB 3.04Å; Y290-K294 PolarHBondContact O-N 3.34Å
291M91.7Very high90.3Very high41 Ų4145.4 Ų45.420%0.20223%0.229CC..Hα-helixtrans-68.5-36.3-179.5-165.462.87400111D288 K294 L295 L318D288-M291 HydrophobicContact CB-CB 4.13Å; D288-M291 PolarHBondContact OD1-N 3.14Å; M291-K294 PolarHBondContact O-N 2.81Å; M291-K294 HydrophobicContact SD-CD 4.03Å; M291-L295 HydrophobicContact CG-CD1 3.86Å; M291-L295 HydrophobicContact CG-CG 4.24Å; M291-L295 WeakPolarHBondContact O-CB 3.25Å; M291-L295 VanDerWaalsContact O-CG 3.24Å; M291-L295 WeakPolarHBondContact O-CG 3.26Å; M291-L295 PolarHBondContact O-N 3Å; M291-L295 HydrophobicContact SD-CG 4.37Å; M291-L318 HydrophobicContact CB-CD2 3.87Å; M291-L318 HydrophobicContact CG-CD2 4.01Å
292L93.3Very high90.6Very high0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-62.7-46.2173.8173.259.6000111.6L287 D288 Y290 V296 I314 L318 L331 Y335 L339L287-L292 HydrophobicContact CD1-CD2 4.24Å; L287-L292 HydrophobicContact CD2-CD2 3.85Å; L287-L292 HydrophobicContact CG-CD2 4.12Å; D288-L292 WeakPolarHBondContact O-CB 3.23Å; D288-L292 PolarHBondContact O-N 2.91Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 2.95Å; L292-V296 HydrophobicContact CD1-CG2 3.86Å; L292-V296 WeakPolarHBondContact O-CB 3.5Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.32Å; L292-V296 VanDerWaalsContact O-N 3.09Å; L292-I314 HydrophobicContact CD1-CG2 3.82Å; L292-L318 HydrophobicContact CB-CD1 4.34Å; L292-L318 HydrophobicContact CB-CD2 4.07Å; L292-L318 HydrophobicContact CD1-CD1 4.11Å; L292-L331 HydrophobicContact CD1-CD2 4.35Å; L292-L331 HydrophobicContact CD2-CD2 4.43Å; L292-Y335 HydrophobicContact CD1-CD2 3.87Å; L292-Y335 HydrophobicContact CD1-CE2 4.46Å; L292-Y335 HydrophobicContact CD2-CD2 4.04Å; L292-Y335 HydrophobicContact CG-CD2 3.68Å; L292-Y335 HydrophobicContact CG-CE2 4.18Å; L292-L339 HydrophobicContact CB-CD1 4.15Å; L292-L339 HydrophobicContact CD2-CD1 3.74Å; L292-L339 HydrophobicContact CG-CD1 3.72Å
293Y93.8Very high91Very high21 Ų2141.4 Ų41.48%0.08221%0.209CC..Hα-helixtrans-60.1-50174.2177-101.6000111.5F261 L289 Y290 L295 V296 T297 L339 Y342 E343 K347F261-Y293 HydrophobicContact CD2-CD1 4.11Å; F261-Y293 HydrophobicContact CD2-CE1 4.39Å; F261-Y293 AromaticContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD2 4.24Å; F261-Y293 AromaticContact CE2-CE1 3.72Å; F261-Y293 HydrophobicContact CE2-CE1 3.72Å; F261-Y293 AromaticContact CE2-CG 3.56Å; F261-Y293 HydrophobicContact CE2-CG 3.56Å; F261-Y293 AromaticContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD2 4.33Å; F261-Y293 AromaticContact CZ-CG 3.6Å; F261-Y293 HydrophobicContact CZ-CG 3.6Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.29Å; L289-Y293 PolarHBondContact O-N 3.04Å; Y290-Y293 PolarHBondContact O-N 3.2Å; Y293-L295 PolarHBondContact O-N 2.99Å; Y293-V296 PolarHBondContact O-N 3.42Å; Y293-T297 WeakPolarHBondContact CE2-OG1 3.21Å; Y293-T297 WeakPolarHBondContact O-CB 3.37Å; Y293-T297 PolarHBondContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 3.02Å; Y293-L339 HydrophobicContact CD2-CD2 4.49Å; Y293-Y342 HydrophobicContact CD2-CD1 4.35Å; Y293-Y342 HydrophobicContact CE1-CE1 4.37Å; Y293-Y342 AromaticContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CE1 4.17Å; Y293-Y342 AromaticContact CZ-CE1 3.99Å; Y293-E343 HydrophobicContact CE2-CB 4.13Å; Y293-E343 HydrophobicContact CE2-CG 4.5Å; Y293-K347 WeakPolarHBondContact OH-CE 3.35Å
294K92.6Very high91.5Very high90 Ų9041.8 Ų41.839%0.39120%0.202SC..Hα-helixtrans-55.4-53.2-179.4-177.2176.6175.8-178.40111.5Y290 M291 T297 E298Y290-K294 HydrophobicContact CE1-CD 3.94Å; Y290-K294 VanDerWaalsContact O-CB 3.28Å; Y290-K294 WeakPolarHBondContact O-CB 3.04Å; Y290-K294 PolarHBondContact O-N 3.34Å; M291-K294 PolarHBondContact O-N 2.81Å; M291-K294 HydrophobicContact SD-CD 4.03Å; K294-T297 PolarHBondContact O-N 3.11Å; K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.28Å; K294-E298 PolarHBondContact O-N 3.4Å
295L94.1Very high92.1Very high28 Ų2832.1 Ų32.115%0.14716%0.16CC..Hα-helixtrans-64.7-45.7-178.3-69.7168.8000112.9M291 Y293 T297 K299 I314 G317 L318M291-L295 HydrophobicContact CG-CD1 3.86Å; M291-L295 HydrophobicContact CG-CG 4.24Å; M291-L295 WeakPolarHBondContact O-CB 3.25Å; M291-L295 VanDerWaalsContact O-CG 3.24Å; M291-L295 WeakPolarHBondContact O-CG 3.26Å; M291-L295 PolarHBondContact O-N 3Å; M291-L295 HydrophobicContact SD-CG 4.37Å; Y293-L295 PolarHBondContact O-N 2.99Å; L295-T297 VanDerWaalsContact C-N 3.35Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 3.22Å; L295-I314 HydrophobicContact CB-CD1 3.9Å; L295-G317 VanDerWaalsContact CD1-C 3.49Å; L295-L318 HydrophobicContact CD1-CD2 4.17Å; L295-L318 HydrophobicContact CD1-CG 4.12Å
296V94.3Very high92.5Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-65.9-41.5178.8169.30000110.8L292 Y293 K299 G300 G301 L302 V305 I314 Y335L292-V296 HydrophobicContact CD1-CG2 3.86Å; L292-V296 WeakPolarHBondContact O-CB 3.5Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.32Å; L292-V296 VanDerWaalsContact O-N 3.09Å; Y293-V296 PolarHBondContact O-N 3.42Å; V296-K299 PolarHBondContact O-N 3.01Å; V296-G300 PolarHBondContact O-N 3.25Å; V296-G301 WeakPolarHBondContact O-CA 3.32Å; V296-G301 PolarHBondContact O-N 3.4Å; V296-L302 HydrophobicContact CG1-CB 4.46Å; V296-V305 HydrophobicContact CB-CG2 4.31Å; V296-V305 HydrophobicContact CG1-CG2 3.94Å; V296-V305 HydrophobicContact CG2-CG2 4.31Å; V296-I314 HydrophobicContact CG2-CD1 4.08Å; V296-I314 HydrophobicContact CG2-CG1 4.34Å; V296-I314 HydrophobicContact CG2-CG2 4.2Å; V296-Y335 HydrophobicContact CB-CD2 4.19Å; V296-Y335 HydrophobicContact CB-CE2 3.47Å; V296-Y335 VanDerWaalsContact CB-CE2 3.47Å; V296-Y335 HydrophobicContact CG1-CD2 4.25Å; V296-Y335 HydrophobicContact CG1-CE1 4.16Å; V296-Y335 HydrophobicContact CG1-CE2 3.59Å; V296-Y335 HydrophobicContact CG2-CD2 3.87Å; V296-Y335 HydrophobicContact CG2-CE2 3.66Å
297T92.1Very high92.7Very high15 Ų1530.4 Ų30.49%0.09215%0.153CC..Hα-helixtrans-66.7-41179-63.10000112.5Y293 K294 L295 K299 G300 K347 L349Y293-T297 WeakPolarHBondContact CE2-OG1 3.21Å; Y293-T297 WeakPolarHBondContact O-CB 3.37Å; Y293-T297 PolarHBondContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 3.02Å; K294-T297 PolarHBondContact O-N 3.11Å; L295-T297 VanDerWaalsContact C-N 3.35Å; T297-K299 PolarHBondContact O-N 3.25Å; T297-G300 PolarHBondContact O-N 2.82Å; T297-G300 VanDerWaalsContact O-N 3.11Å; T297-K347 HydrophobicContact CG2-CD 3.47Å; T297-K347 VanDerWaalsContact CG2-CD 3.47Å; T297-L349 HydrophobicContact CG2-CD1 4.17Å
298E93.7Very high92.9Very high140 Ų14036.1 Ų36.165%0.65418%0.178SC*.Hα-helixtrans-61-30.3174.4-177.4176.2176.300112.1K294 G300K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.28Å; K294-E298 PolarHBondContact O-N 3.4Å; E298-G300 VanDerWaalsContact C-N 3.32Å
299K92.4Very high92.9Very high63 Ų6340 Ų4027%0.27419%0.194SC..THydrogen-bonded Turntrans-864.4176.8-61.3-66.6174.8165.90114.6L295 V296 T297 E304 V305 I310 E313 I314L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 3.22Å; V296-K299 PolarHBondContact O-N 3.01Å; T297-K299 PolarHBondContact O-N 3.25Å; K299-E304 WeakPolarHBondContact O-CG 3.32Å; K299-V305 HydrophobicContact CB-CG2 3.86Å; K299-I310 HydrophobicContact CB-CD1 3.68Å; K299-I310 HydrophobicContact CD-CD1 4.04Å; K299-I310 HydrophobicContact CG-CD1 3.91Å; K299-E313 VanDerWaalsContact CE-OE2 3.25Å; K299-E313 WeakPolarHBondContact CE-OE2 3.45Å; K299-E313 IonicContact NZ-OE1 2.78Å; K299-E313 PolarHBondContact NZ-OE1 2.87Å; K299-E313 IonicContact NZ-OE2 3.3Å; K299-E313 PolarHBondContact NZ-OE2 3.01Å; K299-I314 HydrophobicContact CG-CD1 4.22Å
300G89.8Confident93Very high33 Ų3341.7 Ų41.734%0.3420%0.202SC..THydrogen-bonded Turntrans99.614.3177.700000115.3V296 T297 E298V296-G300 PolarHBondContact O-N 3.25Å; T297-G300 PolarHBondContact O-N 2.82Å; T297-G300 VanDerWaalsContact O-N 3.11Å; E298-G300 VanDerWaalsContact C-N 3.32Å
301G92.9Very high93.1Very high0 Ų041.3 Ų41.30%020%0.201CC..  trans95.8175.8175.100000114.7V296 V303 E304 V305 E343V296-G301 WeakPolarHBondContact O-CA 3.32Å; V296-G301 PolarHBondContact O-N 3.4Å; G301-V303 VanDerWaalsContact C-N 3.33Å; G301-V303 PolarHBondContact O-N 3.1Å; G301-E304 PolarHBondContact O-N 3.44Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 2.79Å; G301-V305 VanDerWaalsContact O-N 3.11Å; G301-E343 WeakPolarHBondContact CA-OE1 3.46Å
302L92.9Very high93.1Very high0 Ų049.4 Ų49.40%023%0.229CC..Hα-helixtrans-57.6-43.3-170.9178.762.2000113.1V296 V305 I306 W311 R332 Y335 M336 Y340 E343 L355V296-L302 HydrophobicContact CG1-CB 4.46Å; L302-V305 PolarHBondContact O-N 2.93Å; L302-I306 HydrophobicContact CD1-CD1 4.13Å; L302-I306 HydrophobicContact CG-CD1 4Å; L302-I306 VanDerWaalsContact O-CG1 3.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.21Å; L302-I306 VanDerWaalsContact O-N 3.15Å; L302-W311 HydrophobicContact CD1-CH2 3.61Å; L302-W311 HydrophobicContact CD1-CZ2 3.72Å; L302-R332 HydrophobicContact CD1-CG 4.32Å; L302-Y335 HydrophobicContact CB-CD1 4.05Å; L302-Y335 HydrophobicContact CB-CE1 3.92Å; L302-Y335 HydrophobicContact CD1-CD1 3.75Å; L302-Y335 HydrophobicContact CD1-CE1 4.41Å; L302-Y335 HydrophobicContact CD1-CG 4.04Å; L302-Y335 HydrophobicContact CD2-CD1 3.95Å; L302-Y335 HydrophobicContact CG-CD1 4.12Å; L302-M336 HydrophobicContact CD2-CB 4.36Å; L302-Y340 HydrophobicContact CB-CD2 4.04Å; L302-Y340 HydrophobicContact CD2-CD2 3.68Å; L302-Y340 HydrophobicContact CD2-CE2 4.37Å; L302-Y340 HydrophobicContact CD2-CG 3.86Å; L302-Y340 HydrophobicContact CG-CD2 4.5Å; L302-E343 PolarHBondContact N-OE1 2.96Å; L302-E343 VanDerWaalsContact N-OE1 3.14Å; L302-E343 PolarHBondContact N-OE2 2.94Å; L302-L355 HydrophobicContact CD2-CD1 3.63Å; L302-L355 HydrophobicContact CD2-CD2 3.85Å; L302-L355 HydrophobicContact CD2-CG 4.42Å; L302-L355 HydrophobicContact CG-CD1 3.9Å
303V93Very high93.1Very high11 Ų1153.9 Ų53.97%0.06725%0.25CS..Hα-helixtrans-66.9-40.7-176.3178.90000110.8G301 I306 N307 S350 E354 L355 A358G301-V303 VanDerWaalsContact C-N 3.33Å; G301-V303 PolarHBondContact O-N 3.1Å; V303-I306 WeakPolarHBondContact O-CB 3.35Å; V303-I306 PolarHBondContact O-N 2.85Å; V303-I306 VanDerWaalsContact O-N 3.16Å; V303-N307 PolarHBondContact O-N 3.28Å; V303-S350 VanDerWaalsContact CB-OG 3.29Å; V303-S350 WeakPolarHBondContact CB-OG 3.48Å; V303-S350 WeakPolarHBondContact CG2-OG 3.35Å; V303-E354 HydrophobicContact CG1-CB 4.32Å; V303-L355 HydrophobicContact CG2-CB 3.74Å; V303-L355 HydrophobicContact CG2-CD1 3.98Å; V303-L355 HydrophobicContact CG2-CG 4.47Å; V303-A358 HydrophobicContact CG1-CB 3.78Å
304E94.1Very high93.1Very high62 Ų6253 Ų5329%0.2925%0.247SC..Hα-helixtrans-71.1-34.7-178.7-168.163.6172.300112.1K299 G301 I306 N307 K308K299-E304 WeakPolarHBondContact O-CG 3.32Å; G301-E304 PolarHBondContact O-N 3.44Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.45Å; E304-N307 PolarHBondContact O-N 2.86Å; E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.39Å; E304-K308 PolarHBondContact O-N 3.21Å; E304-K308 WeakPolarHBondContact OE1-CE 3.4Å; E304-K308 IonicContact OE1-NZ 3.41Å; E304-K308 PolarHBondContact OE1-NZ 3.36Å
305V95Very high93.1Very high0 Ų049 Ų490%023%0.23CC..Hα-helixtrans-63-36.1169.9170.90000112.2V296 K299 G301 L302 K309 I310 W311 I314V296-V305 HydrophobicContact CB-CG2 4.31Å; V296-V305 HydrophobicContact CG1-CG2 3.94Å; V296-V305 HydrophobicContact CG2-CG2 4.31Å; K299-V305 HydrophobicContact CB-CG2 3.86Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 2.79Å; G301-V305 VanDerWaalsContact O-N 3.11Å; L302-V305 PolarHBondContact O-N 2.93Å; V305-K309 PolarHBondContact O-N 3.12Å; V305-I310 HydrophobicContact CB-CG1 4.21Å; V305-I310 HydrophobicContact CG1-CG1 4.13Å; V305-I310 HydrophobicContact CG2-CD1 4.06Å; V305-I310 HydrophobicContact CG2-CG1 4.17Å; V305-I310 PolarHBondContact O-N 3.15Å; V305-W311 HydrophobicContact CB-CZ2 4.47Å; V305-W311 HydrophobicContact CG1-CD2 3.65Å; V305-W311 HydrophobicContact CG1-CE3 3.93Å; V305-W311 HydrophobicContact CG1-CG 4.16Å; V305-W311 HydrophobicContact CG1-CH2 3.93Å; V305-W311 HydrophobicContact CG1-CZ2 3.66Å; V305-W311 HydrophobicContact CG1-CZ3 4.06Å; V305-I314 HydrophobicContact CG1-CG1 4.02Å; V305-I314 HydrophobicContact CG2-CD1 4.33Å
306I92.4Very high93Very high1 Ų155.2 Ų55.21%0.00526%0.256CS..Hα-helixtrans-71.7-45.3175.4-66164.5000111.4L302 V303 E304 K309 W311 R332 L355 A358 I359 N362L302-I306 HydrophobicContact CD1-CD1 4.13Å; L302-I306 HydrophobicContact CG-CD1 4Å; L302-I306 VanDerWaalsContact O-CG1 3.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.21Å; L302-I306 VanDerWaalsContact O-N 3.15Å; V303-I306 WeakPolarHBondContact O-CB 3.35Å; V303-I306 PolarHBondContact O-N 2.85Å; V303-I306 VanDerWaalsContact O-N 3.16Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.45Å; I306-K309 PolarHBondContact O-N 2.99Å; I306-W311 HydrophobicContact CG1-CZ2 3.87Å; I306-R332 HydrophobicContact CD1-CG 4.01Å; I306-R332 HydrophobicContact CG1-CG 4.35Å; I306-L355 HydrophobicContact CD1-CD1 3.51Å; I306-A358 HydrophobicContact CB-CB 4.35Å; I306-A358 HydrophobicContact CG2-CB 3.93Å; I306-I359 HydrophobicContact CD1-CG1 4.26Å; I306-N362 HydrophobicContact CG2-CB 4.22Å; I306-N362 PolarHBondContact O-ND2 2.89Å
307N93Very high92.8Very high80 Ų8056.6 Ų56.643%0.42827%0.27SS..Hα-helixtrans-63.2-51.2179.8-76-23.1000111.8V303 E304 K309 A358V303-N307 PolarHBondContact O-N 3.28Å; E304-N307 PolarHBondContact O-N 2.86Å; N307-K309 PolarHBondContact O-N 2.94Å; N307-A358 WeakPolarHBondContact OD1-CB 3.48Å
308K93.8Very high92.7Very high125 Ų12556.9 Ų56.954%0.54327%0.271SS..THydrogen-bonded Turntrans-74.1-5.8178.1-70.8175.3168.2144.70113.6E304 I310E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.39Å; E304-K308 PolarHBondContact O-N 3.21Å; E304-K308 WeakPolarHBondContact OE1-CE 3.4Å; E304-K308 IonicContact OE1-NZ 3.41Å; E304-K308 PolarHBondContact OE1-NZ 3.36Å; K308-I310 HydrophobicContact CB-CD1 4.08Å; K308-I310 HydrophobicContact CB-CG1 4Å; K308-I310 HydrophobicContact CB-CG2 3.97Å; K308-I310 HydrophobicContact CD-CD1 4.34Å; K308-I310 PolarHBondContact O-N 3.44Å; K308-I310 VanDerWaalsContact O-N 3.16Å
309K92.5Very high92.4Very high105 Ų10557 Ų5746%0.45728%0.276SS..THydrogen-bonded Turntrans5724.6-179.7-58.9174.6-178.5172.40113.7V305 I306 N307 W311 E365V305-K309 PolarHBondContact O-N 3.12Å; I306-K309 PolarHBondContact O-N 2.99Å; N307-K309 PolarHBondContact O-N 2.94Å; K309-W311 VanDerWaalsContact C-N 3.26Å; K309-W311 PolarHBondContact O-N 3.42Å; K309-W311 VanDerWaalsContact O-N 3.16Å; K309-E365 IonicContact NZ-OE2 3.8Å; K309-E365 PolarHBondContact NZ-OE2 3.23Å
310I93.7Very high92.2Very high36 Ų3654.8 Ų54.819%0.18527%0.267CS..THydrogen-bonded Turntrans-80.613.6-171.349.2178000115.2K299 V305 K308 R312 E313 I314K299-I310 HydrophobicContact CB-CD1 3.68Å; K299-I310 HydrophobicContact CD-CD1 4.04Å; K299-I310 HydrophobicContact CG-CD1 3.91Å; V305-I310 HydrophobicContact CB-CG1 4.21Å; V305-I310 HydrophobicContact CG1-CG1 4.13Å; V305-I310 HydrophobicContact CG2-CD1 4.06Å; V305-I310 HydrophobicContact CG2-CG1 4.17Å; V305-I310 PolarHBondContact O-N 3.15Å; K308-I310 HydrophobicContact CB-CD1 4.08Å; K308-I310 HydrophobicContact CB-CG1 4Å; K308-I310 HydrophobicContact CB-CG2 3.97Å; K308-I310 HydrophobicContact CD-CD1 4.34Å; K308-I310 PolarHBondContact O-N 3.44Å; K308-I310 VanDerWaalsContact O-N 3.16Å; I310-R312 PolarHBondContact O-N 2.62Å; I310-E313 WeakPolarHBondContact O-CA 3Å; I310-E313 WeakPolarHBondContact O-CB 3.35Å; I310-E313 PolarHBondContact O-N 2.78Å; I310-I314 PolarHBondContact O-N 3.16Å
311W93.4Very high92.1Very high16 Ų1656.3 Ų56.36%0.06127%0.271CS..Hα-helixtrans-52.2-27.2175.5-70.8106000114.9L302 V305 I306 K309 T315 A328 L331 R332L302-W311 HydrophobicContact CD1-CH2 3.61Å; L302-W311 HydrophobicContact CD1-CZ2 3.72Å; V305-W311 HydrophobicContact CB-CZ2 4.47Å; V305-W311 HydrophobicContact CG1-CD2 3.65Å; V305-W311 HydrophobicContact CG1-CE3 3.93Å; V305-W311 HydrophobicContact CG1-CG 4.16Å; V305-W311 HydrophobicContact CG1-CH2 3.93Å; V305-W311 HydrophobicContact CG1-CZ2 3.66Å; V305-W311 HydrophobicContact CG1-CZ3 4.06Å; I306-W311 HydrophobicContact CG1-CZ2 3.87Å; K309-W311 VanDerWaalsContact C-N 3.26Å; K309-W311 PolarHBondContact O-N 3.42Å; K309-W311 VanDerWaalsContact O-N 3.16Å; W311-T315 WeakPolarHBondContact O-CB 3.5Å; W311-T315 PolarHBondContact O-N 3.16Å; W311-T315 PolarHBondContact O-OG1 3.26Å; W311-A328 HydrophobicContact CB-CB 3.45Å; W311-A328 VanDerWaalsContact CB-CB 3.45Å; W311-A328 HydrophobicContact CD2-CB 4.48Å; W311-A328 HydrophobicContact CG-CB 3.69Å; W311-L331 HydrophobicContact CE3-CB 3.77Å; W311-L331 HydrophobicContact CE3-CD1 4.24Å; W311-L331 HydrophobicContact CZ3-CB 3.62Å; W311-R332 HydrophobicContact CH2-CB 3.84Å; W311-R332 HydrophobicContact CH2-CG 4.28Å; W311-R332 HydrophobicContact CZ2-CB 3.55Å; W311-R332 HydrophobicContact CZ2-CG 3.74Å
312R92.1Very high91.8Very high212 Ų21261.3 Ų61.380%0.830%0.302SS*.Hα-helixtrans-65.3-38.1173.6-59-175-166.2-116.46.7112.2I310 T315 K316I310-R312 PolarHBondContact O-N 2.62Å; R312-T315 PolarHBondContact O-N 2.64Å; R312-K316 PolarHBondContact O-N 3.46Å; R312-K316 VanDerWaalsContact O-N 3.07Å
313E93.7Very high91.5Very high94 Ų9466 Ų6644%0.43934%0.335SS..Hα-helixtrans-69.3-44.6176.8-166.6-176.4-171.100110.5K299 I310 T315 K316 G317K299-E313 VanDerWaalsContact CE-OE2 3.25Å; K299-E313 WeakPolarHBondContact CE-OE2 3.45Å; K299-E313 IonicContact NZ-OE1 2.78Å; K299-E313 PolarHBondContact NZ-OE1 2.87Å; K299-E313 IonicContact NZ-OE2 3.3Å; K299-E313 PolarHBondContact NZ-OE2 3.01Å; I310-E313 WeakPolarHBondContact O-CA 3Å; I310-E313 WeakPolarHBondContact O-CB 3.35Å; I310-E313 PolarHBondContact O-N 2.78Å; E313-T315 VanDerWaalsContact C-N 3.31Å; E313-T315 PolarHBondContact O-N 3.5Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-G317 PolarHBondContact O-N 2.97Å
314I93.9Very high91.2Very high1 Ų167.4 Ų67.41%0.00534%0.342CS..Hα-helixtrans-57.6-44.1173.2-52.1-60.7000110.8L292 L295 V296 K299 V305 I310 K316 G317 L318 L331L292-I314 HydrophobicContact CD1-CG2 3.82Å; L295-I314 HydrophobicContact CB-CD1 3.9Å; V296-I314 HydrophobicContact CG2-CD1 4.08Å; V296-I314 HydrophobicContact CG2-CG1 4.34Å; V296-I314 HydrophobicContact CG2-CG2 4.2Å; K299-I314 HydrophobicContact CG-CD1 4.22Å; V305-I314 HydrophobicContact CG1-CG1 4.02Å; V305-I314 HydrophobicContact CG2-CD1 4.33Å; I310-I314 PolarHBondContact O-N 3.16Å; I314-K316 PolarHBondContact O-N 2.91Å; I314-G317 PolarHBondContact O-N 3.16Å; I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.15Å; I314-L331 HydrophobicContact CG2-CD1 4.33Å
315T92.8Very high91Very high6 Ų671.5 Ų71.54%0.03737%0.371CS..Hα-helixtrans-61.1-42.9178-53.10000111.5W311 R312 E313 L318 L320 A327W311-T315 WeakPolarHBondContact O-CB 3.5Å; W311-T315 PolarHBondContact O-N 3.16Å; W311-T315 PolarHBondContact O-OG1 3.26Å; R312-T315 PolarHBondContact O-N 2.64Å; E313-T315 VanDerWaalsContact C-N 3.31Å; E313-T315 PolarHBondContact O-N 3.5Å; T315-L318 PolarHBondContact O-N 2.87Å; T315-L320 HydrophobicContact CG2-CB 3.97Å; T315-L320 PolarHBondContact O-N 3.32Å; T315-L320 VanDerWaalsContact O-N 3.14Å; T315-A327 HydrophobicContact CG2-CB 4.03Å
316K91.8Very high90.7Very high159 Ų15974.7 Ų74.769%0.69139%0.393SS*.Hα-helixtrans-65.4-41.7175.4-174.5-177.9178.1-176.10112.3R312 E313 I314 L318 N319 T322R312-K316 PolarHBondContact O-N 3.46Å; R312-K316 VanDerWaalsContact O-N 3.07Å; E313-K316 PolarHBondContact O-N 3.42Å; I314-K316 PolarHBondContact O-N 2.91Å; K316-L318 PolarHBondContact O-N 3.46Å; K316-N319 PolarHBondContact O-N 2.94Å; K316-T322 HydrophobicContact CB-CG2 4.37Å
317G90.3Very high90.6Very high30 Ų3074.8 Ų74.831%0.30939%0.394SS..Hα-helixtrans-68.7-19.5178.400000114.4L295 E313 I314 N319L295-G317 VanDerWaalsContact CD1-C 3.49Å; E313-G317 PolarHBondContact O-N 2.97Å; I314-G317 PolarHBondContact O-N 3.16Å; G317-N319 VanDerWaalsContact C-N 3.31Å
318L89.3Confident90.5Very high20 Ų2072.9 Ų72.911%0.10539%0.389CS..THydrogen-bonded Turntrans-88.26.7170.6-67.6171.9000113.4L287 M291 L292 L295 I314 T315 K316 L320 L331L287-L318 HydrophobicContact CD1-CD1 4.23Å; M291-L318 HydrophobicContact CB-CD2 3.87Å; M291-L318 HydrophobicContact CG-CD2 4.01Å; L292-L318 HydrophobicContact CB-CD1 4.34Å; L292-L318 HydrophobicContact CB-CD2 4.07Å; L292-L318 HydrophobicContact CD1-CD1 4.11Å; L295-L318 HydrophobicContact CD1-CD2 4.17Å; L295-L318 HydrophobicContact CD1-CG 4.12Å; I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.15Å; T315-L318 PolarHBondContact O-N 2.87Å; K316-L318 PolarHBondContact O-N 3.46Å; L318-L320 HydrophobicContact CB-CD1 3.99Å; L318-L320 HydrophobicContact CB-CG 3.89Å; L318-L320 HydrophobicContact CD1-CD1 4.29Å; L318-L320 WeakPolarHBondContact O-CG 3.36Å; L318-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact O-N 3.12Å; L318-L331 HydrophobicContact CD1-CD1 4.21Å; L318-L331 HydrophobicContact CD1-CD2 3.75Å
319N87.6Confident90.4Very high144 Ų14473.3 Ų73.377%0.7739%0.392SS*.THydrogen-bonded Turntrans58.418.5-174-58.587000114.5K316 G317K316-N319 PolarHBondContact O-N 2.94Å; G317-N319 VanDerWaalsContact C-N 3.31Å
320L87.8Confident90.4Very high16 Ų1670 Ų708%0.08438%0.38CS..  trans-88.4145-177.3-61179000111.5M282 T315 L318 T322M282-L320 HydrophobicContact CE-CD1 3.33Å; T315-L320 HydrophobicContact CG2-CB 3.97Å; T315-L320 PolarHBondContact O-N 3.32Å; T315-L320 VanDerWaalsContact O-N 3.14Å; L318-L320 HydrophobicContact CB-CD1 3.99Å; L318-L320 HydrophobicContact CB-CG 3.89Å; L318-L320 HydrophobicContact CD1-CD1 4.29Å; L318-L320 WeakPolarHBondContact O-CG 3.36Å; L318-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact O-N 3.12Å; L320-T322 PolarHBondContact O-N 3.25Å
321P88.2Confident90.4Very high65 Ų6568.3 Ų68.342%0.42237%0.371SS..  trans-56.2121.3-179.6-27.533.9000113.6S323 I324P321-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact O-N 3.11Å; P321-I324 HydrophobicContact CB-CD1 4.11Å; P321-I324 HydrophobicContact CB-CG1 4.21Å; P321-I324 HydrophobicContact CG-CD1 4.36Å; P321-I324 VanDerWaalsContact O-CD1 3.29Å; P321-I324 WeakPolarHBondContact O-CD1 3.49Å; P321-I324 VanDerWaalsContact O-CG1 3.24Å; P321-I324 WeakPolarHBondContact O-CG1 3.3Å; P321-I324 PolarHBondContact O-N 3.03Å; P321-I324 VanDerWaalsContact O-N 3.17Å
322T85.6Confident90.4Very high105 Ų10569.8 Ų69.864%0.64438%0.377SS*.THydrogen-bonded Turntrans-68.7-8.7179.552.30000113.9K316 L320 I324K316-T322 HydrophobicContact CB-CG2 4.37Å; L320-T322 PolarHBondContact O-N 3.25Å; T322-I324 VanDerWaalsContact C-N 3.26Å; T322-I324 PolarHBondContact O-N 3.32Å
323S86.9Confident90.4Very high99 Ų9962 Ų6269%0.69235%0.353SS*.THydrogen-bonded Turntrans-74-9.4172.3510000113.9P321 T325P321-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact O-N 3.11Å; S323-T325 PolarHBondContact O-N 3.32Å
324I88Confident90.3Very high40 Ų4059.7 Ų59.721%0.20534%0.342CS..  trans-74.591.9178.7-56.8160.1000109.6A283 P321 T322 S326 A327A283-I324 HydrophobicContact CB-CD1 3.62Å; P321-I324 HydrophobicContact CB-CD1 4.11Å; P321-I324 HydrophobicContact CB-CG1 4.21Å; P321-I324 HydrophobicContact CG-CD1 4.36Å; P321-I324 VanDerWaalsContact O-CD1 3.29Å; P321-I324 WeakPolarHBondContact O-CD1 3.49Å; P321-I324 VanDerWaalsContact O-CG1 3.24Å; P321-I324 WeakPolarHBondContact O-CG1 3.3Å; P321-I324 PolarHBondContact O-N 3.03Å; P321-I324 VanDerWaalsContact O-N 3.17Å; T322-I324 VanDerWaalsContact C-N 3.26Å; T322-I324 PolarHBondContact O-N 3.32Å; I324-S326 PolarHBondContact O-N 2.59Å; I324-A327 HydrophobicContact CB-CB 3.99Å; I324-A327 HydrophobicContact CG2-CB 3.89Å; I324-A327 VanDerWaalsContact O-CB 3.28Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å
325T88.6Confident90.2Very high147 Ų14759.6 Ų59.690%0.90234%0.342SS*.THydrogen-bonded Turntrans-51.4-32.1-178.2-47.10000114S323S323-T325 PolarHBondContact O-N 3.32Å
326S88.4Confident90.2Very high67 Ų6762.1 Ų62.147%0.46935%0.354SS..THydrogen-bonded Turntrans-90.4-3.6-179.654.70000115I324 A328 F329 T330I324-S326 PolarHBondContact O-N 2.59Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 2.87Å; S326-F329 PolarHBondContact O-N 2.99Å; S326-T330 PolarHBondContact O-N 2.88Å; S326-T330 PolarHBondContact O-OG1 3.48Å
327A90.2Very high90.1Very high3 Ų360.6 Ų60.63%0.02535%0.347CS..Hα-helixtrans-54.9-43.3-171.100000113.1M282 T315 I324 F329 T330 L331M282-A327 HydrophobicContact CE-CB 4.04Å; M282-A327 HydrophobicContact SD-CB 4.46Å; T315-A327 HydrophobicContact CG2-CB 4.03Å; I324-A327 HydrophobicContact CB-CB 3.99Å; I324-A327 HydrophobicContact CG2-CB 3.89Å; I324-A327 VanDerWaalsContact O-CB 3.28Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 3.42Å; A327-T330 PolarHBondContact O-N 3.4Å; A327-L331 VanDerWaalsContact O-CB 3.26Å; A327-L331 WeakPolarHBondContact O-CB 3.46Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.4Å
328A91.7Very high90Very high40 Ų4060.1 Ų60.133%0.33134%0.336SS..Hα-helixtrans-59.5-38.9178.200000113.2W311 S326 R332W311-A328 HydrophobicContact CB-CB 3.45Å; W311-A328 VanDerWaalsContact CB-CB 3.45Å; W311-A328 HydrophobicContact CD2-CB 4.48Å; W311-A328 HydrophobicContact CG-CB 3.69Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 2.87Å; A328-R332 WeakPolarHBondContact O-CB 3.17Å; A328-R332 PolarHBondContact O-N 2.9Å
329F91.9Very high90.1Very high135 Ų13559.2 Ų59.259%0.59233%0.331SS*.Hα-helixtrans-75.3-42.5177.7177.2-97.4000111.9S326 A327 T333S326-F329 PolarHBondContact O-N 2.99Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 3.42Å; F329-T333 WeakPolarHBondContact O-CB 3.13Å; F329-T333 PolarHBondContact O-N 2.91Å; F329-T333 PolarHBondContact O-OG1 3.44Å
330T92.7Very high90.3Very high35 Ų3553.1 Ų53.122%0.21530%0.298CS..Hα-helixtrans-65.2-51.7178.6-58.70000110.9M282 S326 A327 R332 T333 Q334M282-T330 HydrophobicContact CG-CG2 4.3Å; M282-T330 HydrophobicContact SD-CG2 3.55Å; M282-T330 VanDerWaalsContact SD-CG2 3.55Å; S326-T330 PolarHBondContact O-N 2.88Å; S326-T330 PolarHBondContact O-OG1 3.48Å; A327-T330 PolarHBondContact O-N 3.4Å; T330-R332 PolarHBondContact O-N 3.31Å; T330-T333 PolarHBondContact O-N 2.92Å; T330-T333 VanDerWaalsContact O-N 3.12Å; T330-Q334 HydrophobicContact CG2-CG 4.34Å; T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.44Å
331L93.5Very high90.3Very high0 Ų053.8 Ų53.80%030%0.303CS..Hα-helixtrans-56.7-47.6177.6-70.6174.4000111.4M282 L287 L292 W311 I314 L318 A327 T333 Q334 Y335M282-L331 HydrophobicContact CE-CD1 4.15Å; M282-L331 HydrophobicContact CE-CD2 3.63Å; M282-L331 HydrophobicContact CE-CG 3.69Å; M282-L331 HydrophobicContact SD-CD2 4.42Å; M282-L331 HydrophobicContact SD-CG 4.35Å; L287-L331 HydrophobicContact CD1-CD2 3.58Å; L287-L331 HydrophobicContact CD2-CD2 4.38Å; L292-L331 HydrophobicContact CD1-CD2 4.35Å; L292-L331 HydrophobicContact CD2-CD2 4.43Å; W311-L331 HydrophobicContact CE3-CB 3.77Å; W311-L331 HydrophobicContact CE3-CD1 4.24Å; W311-L331 HydrophobicContact CZ3-CB 3.62Å; I314-L331 HydrophobicContact CG2-CD1 4.33Å; L318-L331 HydrophobicContact CD1-CD1 4.21Å; L318-L331 HydrophobicContact CD1-CD2 3.75Å; A327-L331 VanDerWaalsContact O-CB 3.26Å; A327-L331 WeakPolarHBondContact O-CB 3.46Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.4Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.97Å; L331-Q334 PolarHBondContact O-N 3.43Å; L331-Y335 VanDerWaalsContact O-CB 3.23Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 2.96Å
332R92.7Very high90.4Very high47 Ų4751 Ų5118%0.17728%0.284CS..Hα-helixtrans-56.8-44.7175.8-171.6-172119.6-169.3-4.4112.1L302 I306 W311 A328 T330 Y335 M336 I359L302-R332 HydrophobicContact CD1-CG 4.32Å; I306-R332 HydrophobicContact CD1-CG 4.01Å; I306-R332 HydrophobicContact CG1-CG 4.35Å; W311-R332 HydrophobicContact CH2-CB 3.84Å; W311-R332 HydrophobicContact CH2-CG 4.28Å; W311-R332 HydrophobicContact CZ2-CB 3.55Å; W311-R332 HydrophobicContact CZ2-CG 3.74Å; A328-R332 WeakPolarHBondContact O-CB 3.17Å; A328-R332 PolarHBondContact O-N 2.9Å; T330-R332 PolarHBondContact O-N 3.31Å; R332-Y335 PolarHBondContact O-N 3.47Å; R332-M336 VanDerWaalsContact O-CB 3.24Å; R332-M336 WeakPolarHBondContact O-CB 3.33Å; R332-M336 PolarHBondContact O-N 3.28Å; R332-I359 VanDerWaalsContact NH2-CG2 3.31Å
333T92.1Very high90.7Very high50 Ų5046 Ų4631%0.30725%0.253SS..Hα-helixtrans-66.8-43.3-179.1-59.50000112F329 T330 L331 K337F329-T333 WeakPolarHBondContact O-CB 3.13Å; F329-T333 PolarHBondContact O-N 2.91Å; F329-T333 PolarHBondContact O-OG1 3.44Å; T330-T333 PolarHBondContact O-N 2.92Å; T330-T333 VanDerWaalsContact O-N 3.12Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.97Å; T333-K337 WeakPolarHBondContact O-CB 3.21Å; T333-K337 PolarHBondContact O-N 3.31Å
334Q91.4Very high90.7Very high44 Ų4443.1 Ų43.121%0.20623%0.233CC..Hα-helixtrans-68.3-41.2175.9-56.3-47.7-29.800111.7P280 L287 T330 L331 K337 Y338P280-Q334 HydrophobicContact CB-CB 4.31Å; P280-Q334 HydrophobicContact CB-CG 3.72Å; P280-Q334 HydrophobicContact CG-CB 4.14Å; P280-Q334 HydrophobicContact CG-CG 4Å; L287-Q334 HydrophobicContact CD2-CB 3.68Å; L287-Q334 HydrophobicContact CD2-CG 3.93Å; T330-Q334 HydrophobicContact CG2-CG 4.34Å; T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.44Å; L331-Q334 PolarHBondContact O-N 3.43Å; Q334-K337 PolarHBondContact O-N 3.2Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.35Å; Q334-Y338 PolarHBondContact O-N 3.36Å
335Y93Very high90.6Very high0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-59.2-50.2175.9-162.6-73000111.3L292 V296 L302 L331 R332 K337 Y338 L339 Y340 E343L292-Y335 HydrophobicContact CD1-CD2 3.87Å; L292-Y335 HydrophobicContact CD1-CE2 4.46Å; L292-Y335 HydrophobicContact CD2-CD2 4.04Å; L292-Y335 HydrophobicContact CG-CD2 3.68Å; L292-Y335 HydrophobicContact CG-CE2 4.18Å; V296-Y335 HydrophobicContact CB-CD2 4.19Å; V296-Y335 HydrophobicContact CB-CE2 3.47Å; V296-Y335 VanDerWaalsContact CB-CE2 3.47Å; V296-Y335 HydrophobicContact CG1-CD2 4.25Å; V296-Y335 HydrophobicContact CG1-CE1 4.16Å; V296-Y335 HydrophobicContact CG1-CE2 3.59Å; V296-Y335 HydrophobicContact CG2-CD2 3.87Å; V296-Y335 HydrophobicContact CG2-CE2 3.66Å; L302-Y335 HydrophobicContact CB-CD1 4.05Å; L302-Y335 HydrophobicContact CB-CE1 3.92Å; L302-Y335 HydrophobicContact CD1-CD1 3.75Å; L302-Y335 HydrophobicContact CD1-CE1 4.41Å; L302-Y335 HydrophobicContact CD1-CG 4.04Å; L302-Y335 HydrophobicContact CD2-CD1 3.95Å; L302-Y335 HydrophobicContact CG-CD1 4.12Å; L331-Y335 VanDerWaalsContact O-CB 3.23Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 2.96Å; R332-Y335 PolarHBondContact O-N 3.47Å; Y335-K337 PolarHBondContact O-N 3.33Å; Y335-Y338 PolarHBondContact O-N 3.33Å; Y335-L339 HydrophobicContact CD1-CB 3.92Å; Y335-L339 HydrophobicContact CD2-CB 3.98Å; Y335-L339 HydrophobicContact CD2-CD1 3.61Å; Y335-L339 HydrophobicContact CD2-CG 4.43Å; Y335-L339 HydrophobicContact CE1-CB 3.82Å; Y335-L339 HydrophobicContact CE2-CB 3.85Å; Y335-L339 HydrophobicContact CE2-CD1 3.63Å; Y335-L339 HydrophobicContact CE2-CG 4.41Å; Y335-L339 HydrophobicContact CG-CB 4.01Å; Y335-L339 HydrophobicContact CG-CD1 4.31Å; Y335-L339 WeakPolarHBondContact O-CA 3.35Å; Y335-L339 PolarHBondContact O-N 2.97Å; Y335-Y340 PolarHBondContact O-N 3.3Å; Y335-E343 WeakPolarHBondContact CE1-OE2 3.34Å; Y335-E343 PolarHBondContact OH-OE2 2.62Å
336M92Very high90.5Very high59 Ų5948.2 Ų48.229%0.29124%0.239SC..Hα-helixtrans-59.5-31.3179.1-166.4177.881.100112.6L302 R332 L355 I359L302-M336 HydrophobicContact CD2-CB 4.36Å; R332-M336 VanDerWaalsContact O-CB 3.24Å; R332-M336 WeakPolarHBondContact O-CB 3.33Å; R332-M336 PolarHBondContact O-N 3.28Å; M336-L355 HydrophobicContact CG-CD2 4.23Å; M336-L355 HydrophobicContact SD-CD2 4.32Å; M336-I359 HydrophobicContact SD-CD1 4.43Å
337K89.2Confident90.2Very high127 Ų12750.3 Ų50.355%0.55224%0.24SC*.Hα-helixtrans-80.3-43.4178.9-177.5178.2171.7-1590113.9T333 Q334 Y335T333-K337 WeakPolarHBondContact O-CB 3.21Å; T333-K337 PolarHBondContact O-N 3.31Å; Q334-K337 PolarHBondContact O-N 3.2Å; Y335-K337 PolarHBondContact O-N 3.33Å
338Y89.2Confident89.9Confident20 Ų2052.8 Ų52.88%0.07827%0.266CS..Hα-helixtrans-111.4-30.4-167.7-66.1-82.1000114.8M269 V276 R278 P280 Q334 Y335M269-Y338 HydrophobicContact CE-CD1 4.41Å; M269-Y338 HydrophobicContact SD-CD1 3.78Å; V276-Y338 HydrophobicContact CB-CE1 4.37Å; V276-Y338 HydrophobicContact CG1-CD1 4.41Å; V276-Y338 HydrophobicContact CG1-CE1 3.88Å; V276-Y338 HydrophobicContact CG2-CD1 3.89Å; V276-Y338 HydrophobicContact CG2-CE1 3.99Å; R278-Y338 PolarHBondContact O-OH 3.2Å; R278-Y338 VanDerWaalsContact O-OH 3.1Å; P280-Y338 HydrophobicContact CG-CD2 3.79Å; P280-Y338 HydrophobicContact CG-CE2 3.39Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.35Å; Q334-Y338 PolarHBondContact O-N 3.36Å; Y335-Y338 PolarHBondContact O-N 3.33Å
339L90.9Very high89.4Confident0 Ų054.5 Ų54.50%027%0.269CS..THydrogen-bonded Turntrans-112.5-34.1-170.2-67.3175.5000113.4F261 L265 L289 L292 Y293 Y335 Y342 E343F261-L339 HydrophobicContact CZ-CD2 4.06Å; L265-L339 HydrophobicContact CD1-CD2 4.09Å; L265-L339 HydrophobicContact CD2-CD2 3.59Å; L289-L339 HydrophobicContact CB-CD2 4.39Å; L292-L339 HydrophobicContact CB-CD1 4.15Å; L292-L339 HydrophobicContact CD2-CD1 3.74Å; L292-L339 HydrophobicContact CG-CD1 3.72Å; Y293-L339 HydrophobicContact CD2-CD2 4.49Å; Y335-L339 HydrophobicContact CD1-CB 3.92Å; Y335-L339 HydrophobicContact CD2-CB 3.98Å; Y335-L339 HydrophobicContact CD2-CD1 3.61Å; Y335-L339 HydrophobicContact CD2-CG 4.43Å; Y335-L339 HydrophobicContact CE1-CB 3.82Å; Y335-L339 HydrophobicContact CE2-CB 3.85Å; Y335-L339 HydrophobicContact CE2-CD1 3.63Å; Y335-L339 HydrophobicContact CE2-CG 4.41Å; Y335-L339 HydrophobicContact CG-CB 4.01Å; Y335-L339 HydrophobicContact CG-CD1 4.31Å; Y335-L339 WeakPolarHBondContact O-CA 3.35Å; Y335-L339 PolarHBondContact O-N 2.97Å; L339-Y342 WeakPolarHBondContact O-CB 3.47Å; L339-Y342 PolarHBondContact O-N 3.33Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; L339-E343 PolarHBondContact O-N 3.04Å
340Y91.7Very high88.9Confident17 Ų1748.5 Ų48.57%0.06724%0.244CC..Hα-helixtrans-59-43.3-177179.6-115000114.1L302 Y335 Y342 E343 C344 S350 S351 P352 L355L302-Y340 HydrophobicContact CB-CD2 4.04Å; L302-Y340 HydrophobicContact CD2-CD2 3.68Å; L302-Y340 HydrophobicContact CD2-CE2 4.37Å; L302-Y340 HydrophobicContact CD2-CG 3.86Å; L302-Y340 HydrophobicContact CG-CD2 4.5Å; Y335-Y340 PolarHBondContact O-N 3.3Å; Y340-Y342 PolarHBondContact O-N 2.94Å; Y340-E343 WeakPolarHBondContact O-CB 3.21Å; Y340-E343 PolarHBondContact O-N 2.96Å; Y340-C344 WeakPolarHBondContact CE2-SG 3.44Å; Y340-C344 PolarHBondContact O-N 3.32Å; Y340-C344 PolarHBondContact O-SG 2.85Å; Y340-C344 PolarHBondContact OH-SG 2.86Å; Y340-S350 PolarHBondContact OH-O 2.95Å; Y340-S351 PolarHBondContact OH-O 2.92Å; Y340-P352 WeakPolarHBondContact OH-CA 3.43Å; Y340-P352 VanDerWaalsContact OH-N 3.12Å; Y340-L355 HydrophobicContact CD1-CD2 3.86Å; Y340-L355 HydrophobicContact CD2-CD2 4.39Å; Y340-L355 HydrophobicContact CE1-CD2 3.51Å; Y340-L355 HydrophobicContact CE2-CD2 4.09Å; Y340-L355 HydrophobicContact CG-CD2 4.3Å
341P89.4Confident88.5Confident29 Ų2949.3 Ų49.319%0.18825%0.251CS..Hα-helixtrans-62.8-32.1176.6-21.434000113F268 E345F268-P341 HydrophobicContact CE1-CB 4.16Å; F268-P341 HydrophobicContact CZ-CB 4.38Å; P341-E345 PolarHBondContact O-N 3.36Å
342Y89.6Confident88.2Confident6 Ų652.9 Ų52.92%0.02427%0.274CS..Hα-helixtrans-75.4-37.2177-179.7-89000111.8F261 D264 L265 F268 Y293 L339 Y340 E345 R346F261-Y342 HydrophobicContact CD2-CE1 4.02Å; F261-Y342 HydrophobicContact CE2-CD1 4.21Å; F261-Y342 AromaticContact CE2-CE1 3.47Å; F261-Y342 HydrophobicContact CE2-CE1 3.47Å; F261-Y342 VanDerWaalsContact CE2-CE1 3.47Å; F261-Y342 AromaticContact CE2-CZ 3.98Å; F261-Y342 HydrophobicContact CZ-CE1 4.36Å; D264-Y342 VanDerWaalsContact OD2-CE2 3.22Å; D264-Y342 WeakPolarHBondContact OD2-CE2 3.43Å; D264-Y342 PolarHBondContact OD2-OH 2.76Å; L265-Y342 HydrophobicContact CB-CE2 4.28Å; L265-Y342 HydrophobicContact CD1-CD1 4.25Å; L265-Y342 HydrophobicContact CD1-CD2 3.74Å; L265-Y342 HydrophobicContact CD1-CE2 4.29Å; L265-Y342 HydrophobicContact CD1-CG 3.69Å; F268-Y342 HydrophobicContact CB-CD2 4.15Å; F268-Y342 AromaticContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CG 4.3Å; F268-Y342 HydrophobicContact CE1-CD2 4.17Å; F268-Y342 HydrophobicContact CE1-CG 4.42Å; F268-Y342 AromaticContact CG-CD2 3.89Å; F268-Y342 HydrophobicContact CG-CD2 3.89Å; Y293-Y342 HydrophobicContact CD2-CD1 4.35Å; Y293-Y342 HydrophobicContact CE1-CE1 4.37Å; Y293-Y342 AromaticContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CE1 4.17Å; Y293-Y342 AromaticContact CZ-CE1 3.99Å; L339-Y342 WeakPolarHBondContact O-CB 3.47Å; L339-Y342 PolarHBondContact O-N 3.33Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; Y340-Y342 PolarHBondContact O-N 2.94Å; Y342-E345 PolarHBondContact O-N 3.46Å; Y342-R346 HydrophobicContact CD1-CG 4.5Å; Y342-R346 HydrophobicContact CD2-CG 4.41Å; Y342-R346 HydrophobicContact CE1-CG 4.24Å; Y342-R346 HydrophobicContact CE2-CG 4.19Å; Y342-R346 WeakPolarHBondContact O-CB 3.27Å; Y342-R346 PolarHBondContact O-N 3.34Å; Y342-R346 VanDerWaalsContact OH-CD 3.28Å; Y342-R346 WeakPolarHBondContact OH-CD 2.99Å; Y342-R346 PolarHBondContact OH-NH1 3.49Å
343E90.9Very high88Confident0 Ų053 Ų530%029%0.29CS..Hα-helixtrans-60.7-46.2170.8-173.7-172140.300111.7Y293 G301 L302 Y335 L339 Y340 E345 K347 G348 L349Y293-E343 HydrophobicContact CE2-CB 4.13Å; Y293-E343 HydrophobicContact CE2-CG 4.5Å; G301-E343 WeakPolarHBondContact CA-OE1 3.46Å; L302-E343 PolarHBondContact N-OE1 2.96Å; L302-E343 VanDerWaalsContact N-OE1 3.14Å; L302-E343 PolarHBondContact N-OE2 2.94Å; Y335-E343 WeakPolarHBondContact CE1-OE2 3.34Å; Y335-E343 PolarHBondContact OH-OE2 2.62Å; L339-E343 PolarHBondContact O-N 3.04Å; Y340-E343 WeakPolarHBondContact O-CB 3.21Å; Y340-E343 PolarHBondContact O-N 2.96Å; E343-E345 PolarHBondContact O-N 2.98Å; E343-K347 WeakPolarHBondContact O-CA 3.48Å; E343-K347 PolarHBondContact O-N 3.32Å; E343-G348 PolarHBondContact O-N 3.47Å; E343-L349 HydrophobicContact CG-CD1 4.44Å
344C88.1Confident87.9Confident40 Ų4055.8 Ų55.827%0.2730%0.3SS..Hα-helixtrans-57.9-48.1176.8-69.20000112Y340 G348 S350Y340-C344 WeakPolarHBondContact CE2-SG 3.44Å; Y340-C344 PolarHBondContact O-N 3.32Å; Y340-C344 PolarHBondContact O-SG 2.85Å; Y340-C344 PolarHBondContact OH-SG 2.86Å; C344-G348 VanDerWaalsContact O-CA 3.28Å; C344-G348 WeakPolarHBondContact O-CA 3.36Å; C344-G348 PolarHBondContact O-N 3.5Å; C344-S350 PolarHBondContact SG-O 3.29Å
345E85.5Confident87.8Confident139 Ų13954.1 Ų54.165%0.6529%0.292SS*.Hα-helixtrans-74.4-40.2-177-166.4165.6122.500113.1F268 P341 Y342 E343F268-E345 HydrophobicContact CE2-CB 4.26Å; F268-E345 VanDerWaalsContact CE2-CD 3.5Å; F268-E345 HydrophobicContact CE2-CG 4.43Å; F268-E345 WeakPolarHBondContact CE2-OE1 3.41Å; F268-E345 WeakPolarHBondContact CE2-OE2 3.48Å; F268-E345 HydrophobicContact CZ-CB 4.3Å; P341-E345 PolarHBondContact O-N 3.36Å; Y342-E345 PolarHBondContact O-N 3.46Å; E343-E345 PolarHBondContact O-N 2.98Å
346R85.6Confident87.7Confident155 Ų15557.7 Ų57.759%0.58531%0.309SS*.Hα-helixtrans-87.8-19-176.1-65.9-15168.1170.6-5.8115.2D264 Y342D264-R346 IonicContact OD2-CZ 2.64Å; D264-R346 IonicContact OD2-NH1 2.75Å; D264-R346 PolarHBondContact OD2-NH1 2.86Å; Y342-R346 HydrophobicContact CD1-CG 4.5Å; Y342-R346 HydrophobicContact CD2-CG 4.41Å; Y342-R346 HydrophobicContact CE1-CG 4.24Å; Y342-R346 HydrophobicContact CE2-CG 4.19Å; Y342-R346 WeakPolarHBondContact O-CB 3.27Å; Y342-R346 PolarHBondContact O-N 3.34Å; Y342-R346 VanDerWaalsContact OH-CD 3.28Å; Y342-R346 WeakPolarHBondContact OH-CD 2.99Å; Y342-R346 PolarHBondContact OH-NH1 3.49Å
347K83.5Confident87.7Confident111 Ų11157.9 Ų57.948%0.48332%0.319SS..Hα-helixtrans-140.7-19.8-176.6-63.6-165.2175.8-157.90115.9Y293 T297 E343 L349Y293-K347 WeakPolarHBondContact OH-CE 3.35Å; T297-K347 HydrophobicContact CG2-CD 3.47Å; T297-K347 VanDerWaalsContact CG2-CD 3.47Å; E343-K347 WeakPolarHBondContact O-CA 3.48Å; E343-K347 PolarHBondContact O-N 3.32Å; K347-L349 HydrophobicContact CB-CD1 4.3Å; K347-L349 HydrophobicContact CB-CD2 4.23Å; K347-L349 HydrophobicContact CB-CG 3.81Å; K347-L349 HydrophobicContact CD-CD1 4.35Å; K347-L349 PolarHBondContact O-N 2.96Å; K347-L349 VanDerWaalsContact O-N 3.14Å
348G82.9Confident87.8Confident55 Ų5552 Ų5257%0.56730%0.295SS*.  trans61.123174.400000115.5E343 C344 S350E343-G348 PolarHBondContact O-N 3.47Å; C344-G348 VanDerWaalsContact O-CA 3.28Å; C344-G348 WeakPolarHBondContact O-CA 3.36Å; C344-G348 PolarHBondContact O-N 3.5Å; G348-S350 PolarHBondContact O-N 3.44Å; G348-S350 VanDerWaalsContact O-N 3.11Å
349L80.8Confident87.8Confident75 Ų7551.8 Ų51.839%0.39330%0.295SS..  trans-68.2-9.6-171.9-58-180000114.5T297 E343 K347T297-L349 HydrophobicContact CG2-CD1 4.17Å; E343-L349 HydrophobicContact CG-CD1 4.44Å; K347-L349 HydrophobicContact CB-CD1 4.3Å; K347-L349 HydrophobicContact CB-CD2 4.23Å; K347-L349 HydrophobicContact CB-CG 3.81Å; K347-L349 HydrophobicContact CD-CD1 4.35Å; K347-L349 PolarHBondContact O-N 2.96Å; K347-L349 VanDerWaalsContact O-N 3.14Å
350S81.3Confident87.8Confident10 Ų1055 Ų557%0.0731%0.312CS..  trans-166.4128.5-169.9-72.80000112.6V303 Y340 C344 G348V303-S350 VanDerWaalsContact CB-OG 3.29Å; V303-S350 WeakPolarHBondContact CB-OG 3.48Å; V303-S350 WeakPolarHBondContact CG2-OG 3.35Å; Y340-S350 PolarHBondContact OH-O 2.95Å; C344-S350 PolarHBondContact SG-O 3.29Å; G348-S350 PolarHBondContact O-N 3.44Å; G348-S350 VanDerWaalsContact O-N 3.11Å
351S85.9Confident87.7Confident52 Ų5257.9 Ų57.936%0.36434%0.335SS..  trans-83.3157.6170.871.10000112.9Y340 G353 E354 L355Y340-S351 PolarHBondContact OH-O 2.92Å; S351-G353 PolarHBondContact O-N 3.21Å; S351-E354 WeakPolarHBondContact CB-OE2 3.38Å; S351-E354 PolarHBondContact N-OE2 3.49Å; S351-E354 PolarHBondContact O-N 2.8Å; S351-E354 VanDerWaalsContact OG-CD 3.29Å; S351-E354 WeakPolarHBondContact OG-CG 3.38Å; S351-E354 PolarHBondContact OG-N 3.33Å; S351-E354 PolarHBondContact OG-OE2 3.09Å; S351-L355 PolarHBondContact O-N 3.03Å
352P86.3Confident87.4Confident74 Ų7459.3 Ų59.348%0.48134%0.341SS..Hα-helixtrans-60-28.8176-2736.1000113.9Y340 Q356Y340-P352 WeakPolarHBondContact OH-CA 3.43Å; Y340-P352 VanDerWaalsContact OH-N 3.12Å; P352-Q356 PolarHBondContact O-N 3.32Å
353G87.9Confident87.1Confident50 Ų5068.4 Ų68.452%0.51538%0.375SS..Hα-helixtrans-70.2-43.6176.600000112.9S351 L355 Q356 A357S351-G353 PolarHBondContact O-N 3.21Å; G353-L355 VanDerWaalsContact C-N 3.32Å; G353-Q356 PolarHBondContact O-N 2.89Å; G353-A357 PolarHBondContact O-N 3.28Å
354E90.1Very high86Confident109 Ų10978.4 Ų78.451%0.50941%0.413SS..Hα-helixtrans-65.2-38174.2-68.3160.8127.200111.3V303 S351 A357 A358V303-E354 HydrophobicContact CG1-CB 4.32Å; S351-E354 WeakPolarHBondContact CB-OE2 3.38Å; S351-E354 PolarHBondContact N-OE2 3.49Å; S351-E354 PolarHBondContact O-N 2.8Å; S351-E354 VanDerWaalsContact OG-CD 3.29Å; S351-E354 WeakPolarHBondContact OG-CG 3.38Å; S351-E354 PolarHBondContact OG-N 3.33Å; S351-E354 PolarHBondContact OG-OE2 3.09Å; E354-A357 PolarHBondContact O-N 3.43Å; E354-A358 WeakPolarHBondContact O-CB 3.49Å; E354-A358 PolarHBondContact O-N 3.41Å
355L90.4Very high84.9Confident9 Ų981.8 Ų81.85%0.04742%0.424CS..Hα-helixtrans-59.3-49.8172.2178.760.1000111.6L302 V303 I306 M336 Y340 S351 G353 A357 A358 I359L302-L355 HydrophobicContact CD2-CD1 3.63Å; L302-L355 HydrophobicContact CD2-CD2 3.85Å; L302-L355 HydrophobicContact CD2-CG 4.42Å; L302-L355 HydrophobicContact CG-CD1 3.9Å; V303-L355 HydrophobicContact CG2-CB 3.74Å; V303-L355 HydrophobicContact CG2-CD1 3.98Å; V303-L355 HydrophobicContact CG2-CG 4.47Å; I306-L355 HydrophobicContact CD1-CD1 3.51Å; M336-L355 HydrophobicContact CG-CD2 4.23Å; M336-L355 HydrophobicContact SD-CD2 4.32Å; Y340-L355 HydrophobicContact CD1-CD2 3.86Å; Y340-L355 HydrophobicContact CD2-CD2 4.39Å; Y340-L355 HydrophobicContact CE1-CD2 3.51Å; Y340-L355 HydrophobicContact CE2-CD2 4.09Å; Y340-L355 HydrophobicContact CG-CD2 4.3Å; S351-L355 PolarHBondContact O-N 3.03Å; G353-L355 VanDerWaalsContact C-N 3.32Å; L355-A357 VanDerWaalsContact C-N 3.32Å; L355-A357 PolarHBondContact O-N 3.48Å; L355-A358 PolarHBondContact O-N 2.83Å; L355-I359 HydrophobicContact CD1-CD1 3.82Å; L355-I359 HydrophobicContact CD1-CG1 4.15Å; L355-I359 HydrophobicContact CG-CD1 3.76Å; L355-I359 HydrophobicContact CG-CG1 4.49Å; L355-I359 WeakPolarHBondContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CD1 3.41Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 2.89Å
356Q91.1Very high83.6Confident74 Ų7478.7 Ų78.735%0.34643%0.43SS..Hα-helixtrans-61.8-40177.6-172.656.938.400112P352 G353 I359 D360P352-Q356 PolarHBondContact O-N 3.32Å; G353-Q356 PolarHBondContact O-N 2.89Å; Q356-I359 WeakPolarHBondContact O-CB 3.47Å; Q356-I359 PolarHBondContact O-N 2.89Å; Q356-D360 VanDerWaalsContact NE2-CG 3.33Å; Q356-D360 PolarHBondContact NE2-OD2 3.48Å; Q356-D360 PolarHBondContact O-N 3.38Å
357A91.9Very high82.3Confident63 Ų6382.2 Ų82.252%0.52144%0.443SS..Hα-helixtrans-62.9-44.2176.500000112.8G353 E354 L355 I359 D360 S361G353-A357 PolarHBondContact O-N 3.28Å; E354-A357 PolarHBondContact O-N 3.43Å; L355-A357 VanDerWaalsContact C-N 3.32Å; L355-A357 PolarHBondContact O-N 3.48Å; A357-I359 VanDerWaalsContact C-N 3.34Å; A357-D360 PolarHBondContact O-N 3Å; A357-S361 VanDerWaalsContact O-CB 3.27Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.34Å
358A90.2Very high80.7Confident4 Ų483.6 Ų83.63%0.03345%0.446CS..Hα-helixtrans-64.6-38.1175.300000112.1V303 I306 N307 E354 L355 N362V303-A358 HydrophobicContact CG1-CB 3.78Å; I306-A358 HydrophobicContact CB-CB 4.35Å; I306-A358 HydrophobicContact CG2-CB 3.93Å; N307-A358 WeakPolarHBondContact OD1-CB 3.48Å; E354-A358 WeakPolarHBondContact O-CB 3.49Å; E354-A358 PolarHBondContact O-N 3.41Å; L355-A358 PolarHBondContact O-N 2.83Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 3.35Å
359I90.6Very high79.2Confident15 Ų1586.8 Ų86.88%0.07746%0.456CS..Hα-helixtrans-61.6-50.2175.5-72.6170.6000111.3I306 R332 M336 L355 Q356 A357 N362 R363I306-I359 HydrophobicContact CD1-CG1 4.26Å; R332-I359 VanDerWaalsContact NH2-CG2 3.31Å; M336-I359 HydrophobicContact SD-CD1 4.43Å; L355-I359 HydrophobicContact CD1-CD1 3.82Å; L355-I359 HydrophobicContact CD1-CG1 4.15Å; L355-I359 HydrophobicContact CG-CD1 3.76Å; L355-I359 HydrophobicContact CG-CG1 4.49Å; L355-I359 WeakPolarHBondContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CD1 3.41Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 2.89Å; Q356-I359 WeakPolarHBondContact O-CB 3.47Å; Q356-I359 PolarHBondContact O-N 2.89Å; A357-I359 VanDerWaalsContact C-N 3.34Å; I359-N362 PolarHBondContact O-N 3.01Å; I359-R363 WeakPolarHBondContact O-CB 3.47Å; I359-R363 PolarHBondContact O-N 3.41Å
360D89.9Confident77.5Confident67 Ų6788 Ų8836%0.35847%0.471SS..Hα-helixtrans-73.8-31.6-177.5-76.2-36.2000112.6Q356 A357 R363 R364Q356-D360 VanDerWaalsContact NE2-CG 3.33Å; Q356-D360 PolarHBondContact NE2-OD2 3.48Å; Q356-D360 PolarHBondContact O-N 3.38Å; A357-D360 PolarHBondContact O-N 3Å; D360-R363 PolarHBondContact O-N 2.81Å; D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.37Å
361S89.3Confident76Confident78 Ų7896.6 Ų96.655%0.54550%0.503SS..Hα-helixtrans-56.1-51.5167.2-178.20000111A357 R363 R364 E365A357-S361 VanDerWaalsContact O-CB 3.27Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.34Å; S361-R363 VanDerWaalsContact C-N 3.31Å; S361-R363 PolarHBondContact O-N 3.11Å; S361-R364 PolarHBondContact O-N 2.85Å; S361-R364 VanDerWaalsContact O-N 3.09Å; S361-E365 PolarHBondContact O-N 2.85Å
362N84.7Confident74.4Confident60 Ų6099.8 Ų99.832%0.32153%0.526SS..Hα-helixtrans-62.3-37.4178.7-155.4-81.6000112.1I306 A358 I359 R364I306-N362 HydrophobicContact CG2-CB 4.22Å; I306-N362 PolarHBondContact O-ND2 2.89Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 3.35Å; I359-N362 PolarHBondContact O-N 3.01Å; N362-R364 VanDerWaalsContact C-N 3.31Å; N362-R364 PolarHBondContact O-N 3.29Å
363R83.1Confident72.4Confident197 Ų197101.6 Ų101.674%0.74354%0.54SS*.Hα-helixtrans-65.9-28.2175.1-169.4178.6-174.31753113.5I359 D360 S361I359-R363 WeakPolarHBondContact O-CB 3.47Å; I359-R363 PolarHBondContact O-N 3.41Å; D360-R363 PolarHBondContact O-N 2.81Å; S361-R363 VanDerWaalsContact C-N 3.31Å; S361-R363 PolarHBondContact O-N 3.11Å
364R67.3Low70.7Confident210 Ų210104.2 Ų104.279%0.79255%0.55SS**Hα-helixtrans-79.8-29.6-175.4-140.8174.1-169.3-1572.1113.6D360 S361 N362 G366 R367D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.37Å; S361-R364 PolarHBondContact O-N 2.85Å; S361-R364 VanDerWaalsContact O-N 3.09Å; N362-R364 VanDerWaalsContact C-N 3.31Å; N362-R364 PolarHBondContact O-N 3.29Å; R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.43Å; R364-R367 PolarHBondContact O-N 3.28Å; R364-R367 VanDerWaalsContact O-N 3.11Å
365E64.1Low69Low110 Ų110106.9 Ų106.951%0.51457%0.567SS.*Hα-helixtrans-53.8-45.7179.6-167.378.8-113.700112.2K309 S361 R367 R368K309-E365 IonicContact NZ-OE2 3.8Å; K309-E365 PolarHBondContact NZ-OE2 3.23Å; S361-E365 PolarHBondContact O-N 2.85Å; E365-R367 PolarHBondContact O-N 3.26Å; E365-R368 PolarHBondContact O-N 2.81Å
366G59.4Low67Low74 Ų74115.4 Ų115.476%0.76360%0.604SS**THydrogen-bonded Turntrans-68.45.6-179.600000115.7R364R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.43Å
367R58.7Low64.5Low229 Ų229122.9 Ų122.986%0.86463%0.629SS**THydrogen-bonded Turntrans-134.526.4177.3-70.4-168174.1-131.8-0.3113.6R364 E365 P369R364-R367 PolarHBondContact O-N 3.28Å; R364-R367 VanDerWaalsContact O-N 3.11Å; E365-R367 PolarHBondContact O-N 3.26Å; R367-P369 WeakPolarHBondContact O-CD 3.47Å
368R48.5Very low62.1Low141 Ų141129 Ų12953%0.53264%0.644SS.*  trans-82.9123.4173.2-166.8173.6-172.7-175.20.2111.5E365 S370 Y371E365-R368 PolarHBondContact O-N 2.81Å; R368-S370 PolarHBondContact O-N 3.27Å; R368-Y371 PolarHBondContact NH2-OH 2.65Å
369P51.4Low59.5Low121 Ų121133.5 Ų133.579%0.78668%0.676SS**  trans-66.9111.9162.7-16.331.5000108.9R367 Y371R367-P369 WeakPolarHBondContact O-CD 3.47Å; P369-Y371 PolarHBondContact O-N 3Å; P369-Y371 VanDerWaalsContact O-N 3.16Å
370S45.7Very low57.2Low101 Ų101138.9 Ų138.971%0.70671%0.712SS**  trans-73.4104.8-175-66.10000112.2R368 S372R368-S370 PolarHBondContact O-N 3.27Å; S370-S372 PolarHBondContact O-N 2.78Å
371Y50.7Low54.5Low190 Ų190140.6 Ų140.675%0.74573%0.729SS**SBendtrans41.711.3153.3-82-75.3000121.7R368 P369R368-Y371 PolarHBondContact NH2-OH 2.65Å; P369-Y371 PolarHBondContact O-N 3Å; P369-Y371 VanDerWaalsContact O-N 3.16Å
372S50.8Low52.4Low120 Ų120142.7 Ų142.784%0.83974%0.74SS**  trans-106.446.6176.6-169.40000112.7S370S370-S372 PolarHBondContact O-N 2.78Å
373S45.4Very low50.3Low112 Ų112145.4 Ų145.478%0.78376%0.764SS**  trans-151.174.8172-1690000110.9
374S51.6Low48.2Very low104 Ų104142.5 Ų142.573%0.72777%0.768SS**SBendtrans-148.43.5174.7-680000114.7
375L54.4Low46.7Very low165 Ų165136.6 Ų136.686%0.86477%0.765SS**SBendtrans-99.6-13.4177.2-65.1179.5000114.2
376F48.6Very low45.8Very low189 Ų189136.4 Ų136.483%0.82977%0.773SS**  trans-110.364.3175.6-66.1-66.4000111.9F378F376-F378 PolarHBondContact O-N 3.3Å
377R39.6Very low44.7Very low231 Ų231141 Ų14187%0.87277%0.774SS**  trans-73.980.1165-174.7-175.7-71-177.7-1.8109.3S379R377-S379 PolarHBondContact O-N 3.32Å
378F40.8Very low43.9Very low191 Ų191137.7 Ų137.784%0.83877%0.772SS**  trans-60.4122.6158.3-99.7-88.7000108.2F376 P380F376-F378 PolarHBondContact O-N 3.3Å; F378-P380 WeakPolarHBondContact O-CD 3.38Å
379S35.6Very low43.4Very low99 Ų99138.2 Ų138.269%0.69279%0.785SS**  trans-91.6116.3-177.1-168.20000110.1R377 S381R377-S379 PolarHBondContact O-N 3.32Å; S379-S381 PolarHBondContact O-N 2.95Å
380P41.7Very low42.6Very low128 Ų128137.5 Ų137.583%0.83178%0.783SS**  trans-82.6107.1173.432.1-30.6000109.7F378F378-P380 WeakPolarHBondContact O-CD 3.38Å
381S34.5Very low42.3Very low102 Ų102138.6 Ų138.671%0.71379%0.787SS**  trans-133.8137.1169-167.60000109S379S379-S381 PolarHBondContact O-N 2.95Å
382P45.2Very low41.8Very low122 Ų122135.5 Ų135.579%0.79279%0.79SS**  trans-75.3160.3-167.529.8-36.1000113.9
383S40.4Very low40.9Very low117 Ų117139.3 Ų139.382%0.81879%0.792SS**  trans-79.2124.5-175.5166.30000113.9
384T37.1Very low40.5Very low136 Ų136141.4 Ų141.483%0.83479%0.791SS**  trans-148.2128143-18.50000110.3
385A36.3Very low39.8Very low87 Ų87144.7 Ų144.772%0.71980%0.795SS**  trans-85.1153167.700000110.2
386P46.3Very low38.8Very low106 Ų106144.9 Ų144.969%0.68880%0.795SS**  -146.7145.3106.427.8-7.5000117
387H35.8Very low38Very low169 Ų169140.4 Ų140.478%0.78279%0.794SS**  trans57.2106133.2-58.6-45000123.5
388I40.8Very low37.6Very low160 Ų160132.5 Ų132.582%0.82178%0.784SS**  trans62.9150.5134.932.3168.2000124.5
389L37.9Very low37.5Very low153 Ų153132.4 Ų132.480%0.80179%0.791SS**  trans82.394.8165.5-59.6-177.6000120.6
390S35.2Very low37.3Very low106 Ų106131.1 Ų131.174%0.74179%0.793SS**  trans27.3113.7130.4-51.10000121.1
391P40.3Very low37Very low124 Ų124130.3 Ų130.381%0.80580%0.798SS**  trans-75.4142.4158.732.1-33.1000111.5
392P39.4Very low36.8Very low124 Ų124128.3 Ų128.381%0.80579%0.793SS**  trans-77149.4-179.531.1-35.1000113
393K31.2Very low36.3Very low201 Ų201128.9 Ų128.987%0.87480%0.795SS**  trans-97.8111.9-179.9-175.6-163.7-168.3780109.9
394M38.6Very low36Very low155 Ų155128.2 Ų128.276%0.76479%0.79SS**  trans-129.9108.2172.2-76.1-59.8-70.500113.3
395H35.2Very low35.8Very low174 Ų174128.7 Ų128.781%0.80679%0.792SS**  trans59.4134.3148.4-76.4-101.7000122.4
396L34.6Very low35.7Very low168 Ų168128.6 Ų128.688%0.8879%0.792SS**  trans-111162.4171169.966000108.6
397A31Very low35.3Very low96 Ų96132.1 Ų132.179%0.79380%0.803SS**  trans101.3138.6170.900000114.9
398G32.1Very low35.1Very low64 Ų64131.5 Ų131.566%0.6681%0.806SS**  cis172.8-171.2-4.300000113
399L39.2Very low34.5Very low189 Ų189127.4 Ų127.499%0.9980%0.803SS**  trans69.3143.1-178.1-46.7170.6000113.5
400G31.2Very low34.2Very low72 Ų72128 Ų12874%0.74281%0.806SS**  cis-164-171.6-2.100000112.1
401A34.4Very low34Very low112 Ų112132.1 Ų132.193%0.92681%0.814SS**  trans-62.3162.7177.100000112.8
402G31.4Very low33.4Very low60 Ų60130.3 Ų130.362%0.61981%0.81SS**  cis167.8-161.2400000110
403T34.9Very low33.1Very low134 Ų134129.8 Ų129.882%0.82281%0.809SS**  trans45.598.8164.653.90000117.8
404S32.6Very low33.7Very low102 Ų102126.2 Ų126.271%0.71381%0.806SS**  77.7141.771.672.90000116.4
405V33.3Very low33.2Very low147 Ų147121.9 Ų121.989%0.89180%0.801SS**  trans85.6138.9170.8-170.10000115.8
406A34.4Very low33.8Very low85 Ų85119.6 Ų119.670%0.70280%0.802SS**  trans-88.9177.7-170.400000113.6
407L38Very low33.5Very low179 Ų179116.2 Ų116.294%0.93779%0.792SS**  -159.9178.1122.6-106.9171.2000112.3
408N32Very low33.6Very low157 Ų157117.8 Ų117.884%0.8479%0.787SS**  trans-112155.3-165.9-165.3-4.8000110.8
409G28Very low33.4Very low73 Ų73123.6 Ų123.675%0.75379%0.794SS**  trans175.9100.7-178.700000118.4
410L30.9Very low32.9Very low165 Ų165121.6 Ų121.686%0.86478%0.777SS**  trans-56.8162.3174.7-64.5154.5000117.5
411Q30.8Very low32.8Very low193 Ų193125.7 Ų125.790%0.90278%0.777SS**  trans123.1154.8148.8-71.2-160.919.900114.9
412A29.1Very low32.4Very low87 Ų87126.6 Ų126.672%0.71977%0.766SS**  cis-169.6162.7-2900000108
413S32.4Very low32.4Very low113 Ų113130.8 Ų130.879%0.7977%0.774SS**  trans-92.2161.6170.9-141.80000110.5
414P44.3Very low32.3Very low125 Ų125130.5 Ų130.581%0.81277%0.772SS**  -143.3-177.266.234.7-13000116
415G27.8Very low33.1Very low65 Ų65131.1 Ų131.167%0.6777%0.773SS**  trans-87.1-137.617100000113.4
416P48.3Very low32.9Very low125 Ų125128.2 Ų128.281%0.81277%0.765SS**  cis-148.2-177.89.844.6-25.1000118.3
417S27.1Very low32.7Very low98 Ų98131.5 Ų131.569%0.68577%0.769SS**  trans80.2126.8139.7-150.80000122.8
418L33.5Very low32.3Very low129 Ų129131.2 Ų131.268%0.67577%0.765SS**  151.9117.4115.3-79.6176.6000115.4
419K28.4Very low32.3Very low185 Ų185128.8 Ų128.880%0.80477%0.767SS**  trans60.9158.6136.6-67178.2-175.7170.60121
420K28.7Very low32.4Very low148 Ų148130.1 Ų130.164%0.64377%0.77SS**  cis179.4132.6-21.1173.7-175.7172.5-161.70110.4
421E27.7Very low32.5Very low157 Ų157133.5 Ų133.573%0.73477%0.772SS**  trans57.7165.5162.7-74.1166.9-15900118.4
422D27.5Very low33.8Very low132 Ų132129 Ų12971%0.70676%0.759SS**  cis-166.6169.2-35.6-170.618.3000109.8
423L31.6Very low34.7Very low148 Ų148131 Ų13178%0.77577%0.765SS**  trans73.5160.6163.3-69.4145.8000121.1
424T32.7Very low34.9Very low128 Ų128133.7 Ų133.779%0.78577%0.769SS**  trans-127-174.9-17460.50000109.1
425P47.8Very low34.2Very low114 Ų114132.1 Ų132.174%0.7477%0.767SS**  cis-147.217710.744.8-24.5000119.7
426A30.4Very low34.5Very low87 Ų87136.6 Ų136.672%0.71978%0.775SS**  trans63.1142.4145.400000123.7
427I29.7Very low33.8Very low154 Ų154136 Ų13679%0.7977%0.774SS**  159127.5125.3-83171.3000114.5
428M28.9Very low34.1Very low173 Ų173139.4 Ų139.485%0.85278%0.783SS**  trans40.4110.6153-62.8-178.7-177.800125
429A32.1Very low33.9Very low105 Ų105136.6 Ų136.687%0.86879%0.785SS**  32.3133.2114.200000123.5
430A30.2Very low34.3Very low101 Ų101136.3 Ų136.384%0.83579%0.787SS**  trans-144163153.400000111
431R33.7Very low34.7Very low237 Ų237137 Ų13789%0.89479%0.792SS**  trans-120-148.5-178.5-61.417660.7-158.6-0.3112.8
432P57.2Low35.7Very low97 Ų97138.2 Ų138.263%0.6380%0.798SS**  -116.3-159.5-129.236.4-12.7000112.8
433P48.4Very low36.6Very low130 Ų130139 Ų13984%0.84481%0.808SS**  -145.1-162.786.838-18.7000115
434L37Very low37.2Very low169 Ų169136.4 Ų136.489%0.88581%0.807SS**  trans-121.1150.9-164.4-66.4161.1000113.7
435A30Very low37.9Very low92 Ų92133.7 Ų133.776%0.7681%0.805SS**  trans-167.9152.7154.100000110.3
436L34.2Very low37.9Very low160 Ų160135.7 Ų135.784%0.83881%0.808SS**  cis-166153.9-21.9-113.3176.6000108.5
437S33.1Very low38.8Very low113 Ų113135 Ų13579%0.7980%0.803SS**  trans61164167.3-91.20000118.7
438L33.8Very low39.7Very low168 Ų168137.9 Ų137.988%0.8880%0.804SS**  cis-172.1130.1-37170.363.8000105.8
439G29.7Very low40.5Very low70 Ų70132.3 Ų132.372%0.72279%0.786SS**  trans160.388.8176.900000116.6Q441G439-Q441 PolarHBondContact O-N 3.11Å
440Q35.4Very low41.3Very low179 Ų179129.8 Ų129.884%0.83677%0.765SS**  trans-12.2114.2150.7175.5-178.2-8.800117.7
441Q38.1Very low42.4Very low162 Ų162128.4 Ų128.476%0.75775%0.746SS**  -171.4147.2106.2-161.787.5-30.200109G439G439-Q441 PolarHBondContact O-N 3.11Å
442Q49.2Very low43.1Very low183 Ų183123 Ų12386%0.85573%0.734SS**  trans-89.6-178.9178.1-69.4168.9-34.200112.2
443V45.6Very low43.1Very low149 Ų149124.9 Ų124.990%0.90373%0.734SS**  trans79.965176.5-162.10000115.8
444A43.6Very low43.2Very low93 Ų93124.9 Ų124.977%0.76972%0.723SS**  trans-144.69.6162.100000114.5
445G47.3Very low43.7Very low71 Ų71122.5 Ų122.573%0.73271%0.711SS**SBendtrans-78.9-26.7-164.800000117.1
446L48.8Very low44.7Very low156 Ų156126.1 Ų126.182%0.81771%0.705SS**SBendtrans-86.3-26.2-169.1-73.8165.7000114.4R448 A449L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.21Å; L446-A449 PolarHBondContact O-N 2.97Å
447A49.7Very low45.6Very low73 Ų73124.9 Ų124.960%0.60369%0.694SS**Hα-helixtrans-64.3-26.8-173.300000113.8T451A447-T451 PolarHBondContact O-N 2.79Å; A447-T451 PolarHBondContact O-OG1 2.74Å
448R47.2Very low46.4Very low214 Ų214126.2 Ų126.281%0.80869%0.686SS**Hα-helixtrans-84.5-14-175.3-142171.7-168140.92.9114.3L446 T451L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.21Å; R448-T451 WeakPolarHBondContact CA-OG1 3.45Å; R448-T451 PolarHBondContact O-OG1 3.24Å; R448-T451 VanDerWaalsContact O-OG1 3.1Å
449A46.7Very low46.9Very low57 Ų57124.4 Ų124.447%0.47168%0.677SS.*Hα-helixtrans-79.8-52.3170.500000110.5L446 T451 L452 E453L446-A449 PolarHBondContact O-N 2.97Å; A449-T451 PolarHBondContact O-N 2.99Å; A449-T451 VanDerWaalsContact O-N 3.15Å; A449-L452 PolarHBondContact O-N 3.15Å; A449-E453 PolarHBondContact O-N 2.96Å
450A47.8Very low47.6Very low52 Ų52127.2 Ų127.243%0.4367%0.671SS.*Hα-helixtrans-56.5-33.2179.700000113.3E453 Q454A450-E453 PolarHBondContact O-N 3.05Å; A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 3.31Å
451T52.9Low48.3Very low71 Ų71122.8 Ų122.844%0.43666%0.656SS.*Hα-helixtrans-67.2-33.4173.847.40000113.8A447 R448 A449 L455A447-T451 PolarHBondContact O-N 2.79Å; A447-T451 PolarHBondContact O-OG1 2.74Å; R448-T451 WeakPolarHBondContact CA-OG1 3.45Å; R448-T451 PolarHBondContact O-OG1 3.24Å; R448-T451 VanDerWaalsContact O-OG1 3.1Å; A449-T451 PolarHBondContact O-N 2.99Å; A449-T451 VanDerWaalsContact O-N 3.15Å; T451-L455 WeakPolarHBondContact O-CD1 3.49Å; T451-L455 PolarHBondContact O-N 2.91Å
452L49.3Very low48.6Very low125 Ų125119.9 Ų119.965%0.65465%0.654SS**Hα-helixtrans-75.7-35.5173.8-88.4167.1000111.2A449 L455 R456A449-L452 PolarHBondContact O-N 3.15Å; L452-L455 PolarHBondContact O-N 3.45Å; L452-R456 WeakPolarHBondContact O-CB 3.34Å; L452-R456 PolarHBondContact O-N 3.49Å
453E56.3Low48.4Very low135 Ų135114.5 Ų114.563%0.63165%0.648SS**Hα-helixtrans-64.1-44.4175.1-145167.6143.400111.4A449 A450 L455 R456 E457A449-E453 PolarHBondContact O-N 2.96Å; A450-E453 PolarHBondContact O-N 3.05Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.82Å; E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.1Å; E453-E457 WeakPolarHBondContact O-CB 3.26Å; E453-E457 PolarHBondContact O-N 2.79Å
454Q51.9Low48.2Very low130 Ų130109.9 Ų109.961%0.60763%0.63SS**Hα-helixtrans-66.2-25.1173.3-77.5-165.7-28.700114.6A450 K458A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 3.31Å; Q454-K458 WeakPolarHBondContact O-CB 3.49Å; Q454-K458 PolarHBondContact O-N 3.5Å
455L48.2Very low48.4Very low119 Ų119109.5 Ų109.562%0.62364%0.635SS**Hα-helixtrans-78.6-33.7169.9-9682.6000111.7T451 L452 E453 L459T451-L455 WeakPolarHBondContact O-CD1 3.49Å; T451-L455 PolarHBondContact O-N 2.91Å; L452-L455 PolarHBondContact O-N 3.45Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.82Å; L455-L459 PolarHBondContact O-N 3.34Å
456R50.6Low48.2Very low169 Ų169110.6 Ų110.664%0.63862%0.621SS**Hα-helixtrans-70-51.2177-179.7175.3-179.6159.14.8112.1L452 E453 K458 L459 E460L452-R456 WeakPolarHBondContact O-CB 3.34Å; L452-R456 PolarHBondContact O-N 3.49Å; E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.1Å; R456-K458 PolarHBondContact O-N 3.29Å; R456-L459 WeakPolarHBondContact O-CA 3.35Å; R456-L459 WeakPolarHBondContact O-CB 3.26Å; R456-L459 PolarHBondContact O-N 2.82Å; R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 3.75Å; R456-E460 IonicContact NE-OE2 2.84Å; R456-E460 PolarHBondContact NE-OE2 2.82Å; R456-E460 IonicContact NH2-OE2 3.76Å; R456-E460 PolarHBondContact O-N 3.35Å
457E51.9Low48.6Very low133 Ų133104.8 Ų104.862%0.62160%0.599SS**Hα-helixtrans-57.6-38.7175.5-171.3-171.9107.500111.1E453 L459 E460 T461E453-E457 WeakPolarHBondContact O-CB 3.26Å; E453-E457 PolarHBondContact O-N 2.79Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.47Å; E457-E460 PolarHBondContact O-N 3.37Å; E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.23Å; E457-T461 PolarHBondContact O-N 3.48Å; E457-T461 PolarHBondContact O-OG1 2.91Å
458K49.4Very low48.8Very low141 Ų141106.2 Ų106.261%0.61360%0.602SS**Hα-helixtrans-77.6-9.5176.2-161.2149.858.1-162.80114.3Q454 R456 T461 S462Q454-K458 WeakPolarHBondContact O-CB 3.49Å; Q454-K458 PolarHBondContact O-N 3.5Å; R456-K458 PolarHBondContact O-N 3.29Å; K458-T461 WeakPolarHBondContact CA-OG1 3.35Å; K458-S462 WeakPolarHBondContact O-CB 3.33Å
459L45.8Very low49.1Very low130 Ų130104 Ų10468%0.68160%0.601SS**Hα-helixtrans-87.1-46.5165.5-13978.1000110.6L455 R456 E457 T461 S462 G463L455-L459 PolarHBondContact O-N 3.34Å; R456-L459 WeakPolarHBondContact O-CA 3.35Å; R456-L459 WeakPolarHBondContact O-CB 3.26Å; R456-L459 PolarHBondContact O-N 2.82Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.47Å; L459-T461 VanDerWaalsContact C-N 3.26Å; L459-T461 PolarHBondContact O-N 2.81Å; L459-S462 CarbonylContact O-C 3.55Å; L459-S462 PolarHBondContact O-N 3.49Å; L459-G463 WeakPolarHBondContact O-CA 3.49Å; L459-G463 PolarHBondContact O-N 3.19Å
460E44.1Very low49.8Very low129 Ų129109.3 Ų109.360%0.60361%0.609SS**Hα-helixtrans-68.1-23.7179.8-66-175.872.200112.5R456 E457R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 3.75Å; R456-E460 IonicContact NE-OE2 2.84Å; R456-E460 PolarHBondContact NE-OE2 2.82Å; R456-E460 IonicContact NH2-OE2 3.76Å; R456-E460 PolarHBondContact O-N 3.35Å; E457-E460 PolarHBondContact O-N 3.37Å
461T49.5Very low50.5Low87 Ų87112.4 Ų112.453%0.53461%0.612SS.*THydrogen-bonded Turntrans-89.8-13169.453.50000114.8E457 K458 L459E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.23Å; E457-T461 PolarHBondContact O-N 3.48Å; E457-T461 PolarHBondContact O-OG1 2.91Å; K458-T461 WeakPolarHBondContact CA-OG1 3.35Å; L459-T461 VanDerWaalsContact C-N 3.26Å; L459-T461 PolarHBondContact O-N 2.81Å
462S45.5Very low50.6Low101 Ų101115.7 Ų115.771%0.70662%0.624SS**THydrogen-bonded Turntrans-104.7-11.9176.7-173.70000113.6K458 L459K458-S462 WeakPolarHBondContact O-CB 3.33Å; L459-S462 CarbonylContact O-C 3.55Å; L459-S462 PolarHBondContact O-N 3.49Å
463G44.4Very low51.5Low70 Ų70112.5 Ų112.572%0.72262%0.616SS**SBendtrans-116.924.4-171.400000114.4L459L459-G463 WeakPolarHBondContact O-CA 3.49Å; L459-G463 PolarHBondContact O-N 3.19Å
464G41.8Very low52.2Low51 Ų51114.4 Ų114.453%0.52662%0.618SS.*SBendtrans-150.9138.5177.500000111.1E466G464-E466 PolarHBondContact O-N 2.86Å
465G47.2Very low53.1Low85 Ų85113.3 Ų113.388%0.87662%0.615SS**  trans-65.5116.7-175.100000112.5G467G465-G467 PolarHBondContact O-N 2.88Å
466E43.3Very low54.4Low94 Ų94110.2 Ų110.244%0.43961%0.607SS.*  trans-62.8104.2173.5-71.1-168.4125.400111.2G464 K471G464-E466 PolarHBondContact O-N 2.86Å; E466-K471 PolarHBondContact O-NZ 3.19Å
467G56.2Low55.7Low34 Ų34108.1 Ų108.135%0.35161%0.605SS.*  trans-57.5156.4173.600000113.1G465 E469 R470G465-G467 PolarHBondContact O-N 2.88Å; G467-E469 PolarHBondContact O-N 3.35Å; G467-E469 VanDerWaalsContact O-N 3.15Å; G467-R470 PolarHBondContact O-N 3.08Å
468P53.8Low57Low104 Ų104107.5 Ų107.568%0.67560%0.602SS**Hα-helixtrans-59.3-29.7-173.523.9-33.9000113.2R470 K471 M472P468-R470 PolarHBondContact O-N 2.83Å; P468-K471 WeakPolarHBondContact O-CB 3.31Å; P468-K471 PolarHBondContact O-N 2.91Å; P468-K471 VanDerWaalsContact O-N 3.11Å; P468-M472 PolarHBondContact O-N 3.16Å
469E54.8Low58.2Low166 Ų166107.3 Ų107.378%0.77660%0.603SS**Hα-helixtrans-56.9-42.8178.5-58.6-179.3150.800113.1G467 K471 M472 A473G467-E469 PolarHBondContact O-N 3.35Å; G467-E469 VanDerWaalsContact O-N 3.15Å; E469-K471 VanDerWaalsContact C-N 3.3Å; E469-K471 PolarHBondContact O-N 2.79Å; E469-M472 PolarHBondContact O-N 2.91Å; E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.86Å
470R62Low59.9Low170 Ų170107 Ų10764%0.64260%0.598SS**Hα-helixtrans-69.2-29.1178.5-72.3-174.5178.5168.60.9112.5G467 P468 R474G467-R470 PolarHBondContact O-N 3.08Å; P468-R470 PolarHBondContact O-N 2.83Å; R470-R474 PolarHBondContact O-N 3.37Å
471K60.9Low61.7Low116 Ų116108.7 Ų108.750%0.50460%0.599SS.*Hα-helixtrans-74.7-38.8174.1-70.9158.4-178.6150.10111E466 P468 E469 L475E466-K471 PolarHBondContact O-NZ 3.19Å; P468-K471 WeakPolarHBondContact O-CB 3.31Å; P468-K471 PolarHBondContact O-N 2.91Å; P468-K471 VanDerWaalsContact O-N 3.11Å; E469-K471 VanDerWaalsContact C-N 3.3Å; E469-K471 PolarHBondContact O-N 2.79Å; K471-L475 WeakPolarHBondContact O-CB 3.22Å; K471-L475 PolarHBondContact O-N 2.7Å
472M55.9Low63.3Low140 Ų140109.7 Ų109.769%0.6960%0.6SS**Hα-helixtrans-65.2-42.7172.2-168.6178.4-68.900111.5P468 E469 L475 A476P468-M472 PolarHBondContact O-N 3.16Å; E469-M472 PolarHBondContact O-N 2.91Å; M472-L475 PolarHBondContact O-N 2.78Å; M472-A476 WeakPolarHBondContact O-CB 3.4Å; M472-A476 PolarHBondContact O-N 3.47Å
473A68.4Low64.9Low59 Ų59111.1 Ų111.149%0.48860%0.598SS.*Hα-helixtrans-59.5-48.2174.800000111.9E469 L475 A476 E477E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.86Å; A473-L475 PolarHBondContact O-N 2.87Å; A473-A476 PolarHBondContact O-N 3.39Å; A473-E477 WeakPolarHBondContact O-CB 3.47Å; A473-E477 PolarHBondContact O-N 2.83Å
474R70.4Confident66.7Low175 Ų175113.6 Ų113.666%0.6659%0.59SS**Hα-helixtrans-65.1-34175.3-79.8-166.3176.4-163.33.3113.8R470 E477 E478R470-R474 PolarHBondContact O-N 3.37Å; R474-E477 PolarHBondContact O-N 2.78Å; R474-E478 VanDerWaalsContact O-CB 3.26Å; R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 2.82Å
475L70.7Confident68.4Low106 Ų106116.5 Ų116.556%0.55559%0.59SS**Hα-helixtrans-73-33.4176.5-170.8147.9000111.8K471 M472 A473 Q479K471-L475 WeakPolarHBondContact O-CB 3.22Å; K471-L475 PolarHBondContact O-N 2.7Å; M472-L475 PolarHBondContact O-N 2.78Å; A473-L475 PolarHBondContact O-N 2.87Å; L475-Q479 WeakPolarHBondContact O-CB 3.48Å; L475-Q479 PolarHBondContact O-N 3.44Å
476A75.1Confident69.7Low54 Ų54115.1 Ų115.145%0.44657%0.57SS.*Hα-helixtrans-68.2-42.5170.300000111.7M472 A473 Q479 Q480M472-A476 WeakPolarHBondContact O-CB 3.4Å; M472-A476 PolarHBondContact O-N 3.47Å; A473-A476 PolarHBondContact O-N 3.39Å; A476-Q479 PolarHBondContact O-N 3.49Å; A476-Q480 WeakPolarHBondContact O-CB 3.32Å; A476-Q480 PolarHBondContact O-N 3.38Å
477E78.6Confident71.4Confident126 Ų126116.9 Ų116.959%0.58958%0.577SS**Hα-helixtrans-62.1-40.9173.1-171.8-173.5173.900111.6A473 R474 Q480 R481A473-E477 WeakPolarHBondContact O-CB 3.47Å; A473-E477 PolarHBondContact O-N 2.83Å; R474-E477 PolarHBondContact O-N 2.78Å; E477-Q480 PolarHBondContact O-N 3.16Å; E477-R481 VanDerWaalsContact O-CB 3.25Å; E477-R481 WeakPolarHBondContact O-CB 3.29Å; E477-R481 PolarHBondContact O-N 3.24Å
478E79.1Confident72.3Confident120 Ų120121.1 Ų121.156%0.56159%0.587SS**Hα-helixtrans-67-41.3174.7-175.8164.3-137.100112R474 R481 L482R474-E478 VanDerWaalsContact O-CB 3.26Å; R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 2.82Å; E478-R481 PolarHBondContact O-N 3.34Å; E478-L482 VanDerWaalsContact O-CB 3.26Å; E478-L482 WeakPolarHBondContact O-CB 3.2Å; E478-L482 PolarHBondContact O-N 2.9Å
479Q75.6Confident73Confident136 Ų136122.7 Ų122.764%0.63659%0.585SS**Hα-helixtrans-62.5-43.2170.1-92.7-139.285.600112.3L475 A476 R481 L482 M483L475-Q479 WeakPolarHBondContact O-CB 3.48Å; L475-Q479 PolarHBondContact O-N 3.44Å; A476-Q479 PolarHBondContact O-N 3.49Å; Q479-R481 VanDerWaalsContact C-N 3.35Å; Q479-R481 PolarHBondContact O-N 3.34Å; Q479-L482 PolarHBondContact O-N 2.79Å; Q479-M483 VanDerWaalsContact O-CB 3.28Å; Q479-M483 WeakPolarHBondContact O-CB 3.25Å; Q479-M483 PolarHBondContact O-N 3.49Å
480Q80Confident73.7Confident124 Ų124119.1 Ų119.158%0.57957%0.572SS**Hα-helixtrans-64.3-41.6178.9-175.1175.4-0.800111.1A476 E477 M483 Q484A476-Q480 WeakPolarHBondContact O-CB 3.32Å; A476-Q480 PolarHBondContact O-N 3.38Å; E477-Q480 PolarHBondContact O-N 3.16Å; Q480-M483 PolarHBondContact O-N 3.32Å; Q480-Q484 WeakPolarHBondContact O-CB 3.29Å; Q480-Q484 PolarHBondContact O-N 2.94Å
481R83.4Confident74.2Confident164 Ų164115.3 Ų115.362%0.61956%0.564SS**Hα-helixtrans-65.3-42173.2177.7176.9143.1-134.4-11.5111.9E477 E478 Q479 Q484 Q485E477-R481 VanDerWaalsContact O-CB 3.25Å; E477-R481 WeakPolarHBondContact O-CB 3.29Å; E477-R481 PolarHBondContact O-N 3.24Å; E478-R481 PolarHBondContact O-N 3.34Å; Q479-R481 VanDerWaalsContact C-N 3.35Å; Q479-R481 PolarHBondContact O-N 3.34Å; R481-Q484 PolarHBondContact O-N 3.37Å; R481-Q485 VanDerWaalsContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CB 3.45Å; R481-Q485 PolarHBondContact O-N 3.48Å
482L82.8Confident74.6Confident108 Ų108116 Ų11657%0.56557%0.572SS**Hα-helixtrans-66.9-39.3176.6-174.663.6000111.5E478 Q479 Q485 A486E478-L482 VanDerWaalsContact O-CB 3.26Å; E478-L482 WeakPolarHBondContact O-CB 3.2Å; E478-L482 PolarHBondContact O-N 2.9Å; Q479-L482 PolarHBondContact O-N 2.79Å; L482-Q485 PolarHBondContact O-N 3.34Å; L482-A486 VanDerWaalsContact O-CB 3.23Å; L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.92Å
483M79.5Confident75Confident132 Ų132111.1 Ų111.165%0.6555%0.554SS**Hα-helixtrans-63-42.1172.7-177.3-179.569.800111.3Q479 Q480 A486 F487Q479-M483 VanDerWaalsContact O-CB 3.28Å; Q479-M483 WeakPolarHBondContact O-CB 3.25Å; Q479-M483 PolarHBondContact O-N 3.49Å; Q480-M483 PolarHBondContact O-N 3.32Å; M483-A486 PolarHBondContact O-N 3.33Å; M483-F487 WeakPolarHBondContact O-CB 3.41Å; M483-F487 PolarHBondContact O-N 2.87Å
484Q80.5Confident74.1Confident122 Ų122113.9 Ų113.957%0.5756%0.558SS**Hα-helixtrans-73.7-28.6178-169.2157.381.800113Q480 R481 Q488Q480-Q484 WeakPolarHBondContact O-CB 3.29Å; Q480-Q484 PolarHBondContact O-N 2.94Å; R481-Q484 PolarHBondContact O-N 3.37Å; Q484-Q488 WeakPolarHBondContact O-CG 3.45Å; Q484-Q488 PolarHBondContact O-N 2.98Å; Q484-Q488 VanDerWaalsContact O-N 3.16Å; Q484-Q488 PolarHBondContact O-NE2 3.19Å
485Q78.2Confident73.2Confident111 Ų111108.5 Ų108.552%0.51955%0.552SS.*Hα-helixtrans-71.6-41.1168.9-176.6174.9-10.700111.3R481 L482 Q488 H489R481-Q485 VanDerWaalsContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CB 3.45Å; R481-Q485 PolarHBondContact O-N 3.48Å; L482-Q485 PolarHBondContact O-N 3.34Å; Q485-Q488 PolarHBondContact O-N 2.94Å; Q485-H489 VanDerWaalsContact O-CB 3.32Å; Q485-H489 WeakPolarHBondContact O-CB 3.31Å; Q485-H489 PolarHBondContact O-N 3.29Å
486A74.6Confident72.3Confident56 Ų56108.3 Ų108.346%0.46356%0.559SS.*Hα-helixtrans-66.3-39.2175.400000111.8L482 M483 H489 N490L482-A486 VanDerWaalsContact O-CB 3.23Å; L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.92Å; M483-A486 PolarHBondContact O-N 3.33Å; A486-H489 PolarHBondContact O-N 3.27Å; A486-N490 WeakPolarHBondContact O-CB 3.47Å; A486-N490 PolarHBondContact O-N 2.82Å
487F78.6Confident71Confident132 Ų132113.2 Ų113.258%0.57957%0.573SS**Hα-helixtrans-61.4-48.3173.4-179.2-101.6000111.5M483 H489 N490 L491M483-F487 WeakPolarHBondContact O-CB 3.41Å; M483-F487 PolarHBondContact O-N 2.87Å; F487-H489 PolarHBondContact O-N 2.87Å; F487-N490 PolarHBondContact O-N 3.28Å; F487-L491 WeakPolarHBondContact O-CB 3.24Å; F487-L491 PolarHBondContact O-N 3.08Å
488Q76.4Confident69Low122 Ų122114.3 Ų114.357%0.5758%0.58SS**Hα-helixtrans-62.3-42.5174.7-77.5177.392.700112.5Q484 Q485 L491 L492Q484-Q488 WeakPolarHBondContact O-CG 3.45Å; Q484-Q488 PolarHBondContact O-N 2.98Å; Q484-Q488 VanDerWaalsContact O-N 3.16Å; Q484-Q488 PolarHBondContact O-NE2 3.19Å; Q485-Q488 PolarHBondContact O-N 2.94Å; Q488-L491 PolarHBondContact O-N 2.84Å; Q488-L492 WeakPolarHBondContact O-CB 3.34Å; Q488-L492 PolarHBondContact O-N 2.83Å
489H67.1Low67.1Low137 Ų137113.6 Ų113.663%0.63459%0.586SS**Hα-helixtrans-67.3-35.5177.5-171.2-69.4000112.4Q485 A486 F487 L492 A493Q485-H489 VanDerWaalsContact O-CB 3.32Å; Q485-H489 WeakPolarHBondContact O-CB 3.31Å; Q485-H489 PolarHBondContact O-N 3.29Å; A486-H489 PolarHBondContact O-N 3.27Å; F487-H489 PolarHBondContact O-N 2.87Å; H489-L492 PolarHBondContact O-N 2.86Å; H489-A493 VanDerWaalsContact O-CB 3.29Å; H489-A493 WeakPolarHBondContact O-CB 3.39Å; H489-A493 PolarHBondContact O-N 2.87Å
490N69.6Low65.3Low91 Ų91115 Ų11549%0.48759%0.594SS.*Hα-helixtrans-68.4-42.9175.4-170.1-97.6000110.9A486 F487 L492 A493 M494A486-N490 WeakPolarHBondContact O-CB 3.47Å; A486-N490 PolarHBondContact O-N 2.82Å; F487-N490 PolarHBondContact O-N 3.28Å; N490-L492 PolarHBondContact O-N 2.75Å; N490-A493 PolarHBondContact O-N 2.8Å; N490-M494 WeakPolarHBondContact O-CG 3.34Å; N490-M494 PolarHBondContact O-N 3.06Å; N490-M494 WeakPolarHBondContact OD1-CE 3.46Å
491L72Confident63.4Low90 Ų90116.2 Ų116.247%0.47161%0.605SS.*Hα-helixtrans-62.3-40.6173.5-173.362.9000112F487 Q488 M494 A495F487-L491 WeakPolarHBondContact O-CB 3.24Å; F487-L491 PolarHBondContact O-N 3.08Å; Q488-L491 PolarHBondContact O-N 2.84Å; L491-M494 PolarHBondContact O-N 3.42Å; L491-A495 PolarHBondContact O-N 2.94Å
492L69.7Low61.3Low130 Ų130115.6 Ų115.668%0.68161%0.613SS**Hα-helixtrans-65.4-38.1172.9-122.369.7000112.4Q488 H489 N490 A495 S496Q488-L492 WeakPolarHBondContact O-CB 3.34Å; Q488-L492 PolarHBondContact O-N 2.83Å; H489-L492 PolarHBondContact O-N 2.86Å; N490-L492 PolarHBondContact O-N 2.75Å; L492-A495 PolarHBondContact O-N 2.69Å; L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 3.33Å
493A64Low59.3Low39 Ų39122.1 Ų122.132%0.32263%0.63SS.*Hα-helixtrans-70.9-28.5176.200000113H489 N490 Q497H489-A493 VanDerWaalsContact O-CB 3.29Å; H489-A493 WeakPolarHBondContact O-CB 3.39Å; H489-A493 PolarHBondContact O-N 2.87Å; N490-A493 PolarHBondContact O-N 2.8Å; A493-Q497 PolarHBondContact O-NE2 2.91Å
494M50.8Low57.1Low116 Ų116124.4 Ų124.457%0.57164%0.644SS**Hα-helixtrans-70.9-45.6168.3-72.3-176.6174.700111.1N490 L491 S496 Q497N490-M494 WeakPolarHBondContact O-CG 3.34Å; N490-M494 PolarHBondContact O-N 3.06Å; N490-M494 WeakPolarHBondContact OD1-CE 3.46Å; L491-M494 PolarHBondContact O-N 3.42Å; M494-S496 PolarHBondContact O-N 2.84Å; M494-Q497 PolarHBondContact O-N 2.88Å; M494-Q497 VanDerWaalsContact O-N 3.08Å
495A51.1Low54.6Low63 Ų63122.3 Ų122.352%0.52166%0.655SS.*Hα-helixtrans-60.1-31.6174.100000112.9L491 L492 Q497 M498L491-A495 PolarHBondContact O-N 2.94Å; L492-A495 PolarHBondContact O-N 2.69Å; A495-Q497 PolarHBondContact O-N 2.7Å; A495-M498 WeakPolarHBondContact O-CG 3.34Å; A495-M498 PolarHBondContact O-N 2.9Å
496S51.8Low52.4Low102 Ų102121.6 Ų121.671%0.71367%0.668SS**THydrogen-bonded Turntrans-70.8-3.5176.3-169.50000114.9L492 M494L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 3.33Å; M494-S496 PolarHBondContact O-N 2.84Å
497Q46.7Very low51.4Low157 Ų157124.3 Ų124.373%0.73468%0.681SS**THydrogen-bonded Turntrans-104.213.3177.5-72.9178.194.600113.6A493 M494 A495 P499A493-Q497 PolarHBondContact O-NE2 2.91Å; M494-Q497 PolarHBondContact O-N 2.88Å; M494-Q497 VanDerWaalsContact O-N 3.08Å; A495-Q497 PolarHBondContact O-N 2.7Å; Q497-P499 VanDerWaalsContact O-CD 3.31Å; Q497-P499 WeakPolarHBondContact O-CD 3.43Å
498M37.8Very low49.1Very low149 Ų149124.5 Ų124.573%0.73469%0.693SS**  trans-73.2116.2172.6-69.1-70.6-76.800111.5A495 M500A495-M498 WeakPolarHBondContact O-CG 3.34Å; A495-M498 PolarHBondContact O-N 2.9Å; M498-M500 PolarHBondContact O-N 3.41Å; M498-M500 VanDerWaalsContact O-N 3.14Å
499P38.9Very low47.1Very low105 Ų105126 Ų12668%0.68270%0.703SS**  trans-75.9104.1-179.929.8-33.7000111.8Q497 N501Q497-P499 VanDerWaalsContact O-CD 3.31Å; Q497-P499 WeakPolarHBondContact O-CD 3.43Å; P499-N501 PolarHBondContact O-N 2.89Å; P499-N501 PolarHBondContact O-ND2 3.26Å
500M38.3Very low45.4Very low165 Ų165125.8 Ų125.881%0.81371%0.712SS**  trans-64.391.4172.9-77.1-102.5-72.300111.6M498 L502M498-M500 PolarHBondContact O-N 3.41Å; M498-M500 VanDerWaalsContact O-N 3.14Å; M500-L502 PolarHBondContact O-N 3.36Å
501N38.7Very low43.7Very low149 Ų149127.8 Ų127.880%0.79773%0.728SS**  trans-7193.4175.3-89.6-90.9000111.4P499P499-N501 PolarHBondContact O-N 2.89Å; P499-N501 PolarHBondContact O-ND2 3.26Å
502L40.1Very low41.9Very low151 Ų151134.1 Ų134.179%0.79175%0.745SS**  trans-86.9131.6160.5-92.973.5000110.1M500M500-L502 PolarHBondContact O-N 3.36Å
503R41Very low40.6Very low245 Ų245134.3 Ų134.393%0.92575%0.747SS**  trans-105.1104.9-161.5172.2-175.1175.5170.5-0.8111.6
504L32.9Very low39.2Very low180 Ų180139.8 Ų139.894%0.94277%0.766SS**  trans-158.8140.3164.3-157.665.1000112.6
505G29Very low38.8Very low78 Ų78143.5 Ų143.580%0.80478%0.779SS**  trans93.7145.8170.800000115.6
506A31Very low38.5Very low97 Ų97147.4 Ų147.480%0.80279%0.786SS**  trans-143.8175.5179.900000108.4
507P54.6Low38.4Very low112 Ų112149 Ų14973%0.72778%0.782SS**  cis-131152.7-42.833.7-19.6000112.6
508T29Very low38.8Very low137 Ų137148.5 Ų148.584%0.8479%0.785SS**  trans-161.3114.3151-3.20000115
509I35.8Very low40.1Very low152 Ų152147.6 Ų147.678%0.77978%0.781SS**  trans12.5114.3140.7-50.7172.2000117.8
510T31.4Very low41.8Very low134 Ų134145 Ų14582%0.82277%0.765SS**  -161.4141.4106.319.50000110.9
511T32.9Very low43.9Very low132 Ų132142.6 Ų142.681%0.8176%0.755SS**  trans-79.216016548.50000108.7
512R35.1Very low45.8Very low223 Ų223138.3 Ų138.384%0.84274%0.737SS**  cis-170.1177.746.3-159.4-175.8177.21411.1110.1
513D40.8Very low47.8Very low135 Ų135135 Ų13572%0.72272%0.719SS**  trans68.4102.7165.7-78.3-91000118
514E36Very low49.6Very low153 Ų153126.6 Ų126.672%0.71570%0.698SS**  -151.9133.1128.7-89.8-127.466.400109Q516E514-Q516 PolarHBondContact OE1-NE2 2.89Å; E514-Q516 PolarHBondContact OE2-NE2 3.14Å
515K42.6Very low51.8Low195 Ų195122.5 Ų122.585%0.84868%0.68SS**  trans-113.654.8164.3-166.5-165.2173.5-176.50108.8Q517K515-Q517 PolarHBondContact O-N 3.46Å
516Q43.8Very low53.7Low144 Ų144124.5 Ų124.567%0.67367%0.673SS**  trans-67.5126.7175.1-149.1164.4105.600108.4E514 D518E514-Q516 PolarHBondContact OE1-NE2 2.89Å; E514-Q516 PolarHBondContact OE2-NE2 3.14Å; Q516-D518 PolarHBondContact O-N 2.96Å
517Q50.1Low55.5Low135 Ų135122 Ų12263%0.63166%0.655SS**  trans-82.5107.5176.4-69.6-175.9-72.900108.2K515 M519 N538K515-Q517 PolarHBondContact O-N 3.46Å; Q517-M519 PolarHBondContact O-N 3.23Å; Q517-N538 PolarHBondContact NE2-OD1 2.86Å
518D55.3Low56.2Low147 Ų147125.3 Ų125.379%0.78667%0.667SS**  trans-57.4122.8176.2-114.2-49.7000110.3Q516Q516-D518 PolarHBondContact O-N 2.96Å
519M64Low58.1Low131 Ų131121.5 Ų121.565%0.64565%0.65SS**EExtended strand (participates in β ladder)trans-134.386.2-178.3-151.9175.877.600108.3Q517 E536 V537Q517-M519 PolarHBondContact O-N 3.23Å; M519-E536 CarbonylContact C-O 3.55Å; M519-E536 VanDerWaalsContact CA-O 3.31Å; M519-E536 WeakPolarHBondContact CA-O 3.46Å; M519-V537 HydrophobicContact CG-CB 4.37Å; M519-V537 HydrophobicContact CG-CG1 4.24Å; M519-V537 HydrophobicContact CG-CG2 3.88Å; M519-V537 HydrophobicContact SD-CG1 4.21Å; M519-V537 HydrophobicContact SD-CG2 4.18Å
520S75.1Confident60.4Low50 Ų50115.1 Ų115.135%0.3562%0.619SS.*EExtended strand (participates in β ladder)trans-81.8142.7-170.695.70000111V535 E536S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.18Å; S520-E536 PolarHBondContact N-O 2.97Å; S520-E536 VanDerWaalsContact N-O 3.08Å; S520-E536 PolarHBondContact O-N 3.2Å; S520-E536 WeakPolarHBondContact OG-CB 3.19Å; S520-E536 PolarHBondContact OG-OE2 2.91Å
521L81.8Confident63Low114 Ų114112.4 Ų112.460%0.59760%0.598SS**EExtended strand (participates in β ladder)trans-128.5126.6178.717364.9000109.3I523 V533 V535L521-I523 HydrophobicContact CD1-CG1 4.2Å; L521-I523 HydrophobicContact CD2-CD1 4.41Å; L521-I523 HydrophobicContact CG-CG1 4.35Å; L521-V533 HydrophobicContact CD1-CG1 3.9Å; L521-V535 HydrophobicContact CD1-CG2 3.89Å
522S79.3Confident65.5Low60 Ų60107.4 Ų107.442%0.4257%0.567SS.*EExtended strand (participates in β ladder)trans-127.4138.317355.20000110.6S534S522-S534 PolarHBondContact N-O 2.82Å; S522-S534 PolarHBondContact O-N 3.3Å; S522-S534 WeakPolarHBondContact OG-CB 3.42Å; S522-S534 PolarHBondContact OG-O 3.35Å
523I82.1Confident68.2Low82 Ų8298.9 Ų98.942%0.42154%0.54SS..EExtended strand (participates in β ladder)trans-131.6121.3-178.7-57.4178.9000107.9L521 I531 T532 V533L521-I523 HydrophobicContact CD1-CG1 4.2Å; L521-I523 HydrophobicContact CD2-CD1 4.41Å; L521-I523 HydrophobicContact CG-CG1 4.35Å; I523-I531 HydrophobicContact CG2-CG2 3.8Å; I523-T532 WeakPolarHBondContact CA-O 3.4Å; I523-V533 HydrophobicContact CG1-CG1 4.29Å; I523-V533 HydrophobicContact CG1-CG2 4.31Å; I523-V533 HydrophobicContact CG2-CG2 4.32Å
524S79.4Confident70.4Confident68 Ų6893.5 Ų93.548%0.47651%0.513SS..EExtended strand (participates in β ladder)trans-128.1126.4-174.7-66.20000110.1T532S524-T532 PolarHBondContact N-O 3.07Å; S524-T532 PolarHBondContact O-N 3.1Å
525T78.3Confident73Confident94 Ų9488.3 Ų88.358%0.57749%0.492SS*.EExtended strand (participates in β ladder)trans-102.5104.6-177.6-58.40000110.5G527 I531T525-G527 PolarHBondContact O-N 3.43Å; T525-G527 VanDerWaalsContact O-N 3.13Å; T525-I531 HydrophobicContact CG2-CG1 4.29Å
526N68.8Low75.2Confident120 Ų12082.4 Ų82.464%0.64247%0.467SS*.  trans-8877.3177.8-79.4-4.3000110.1S530N526-S530 PolarHBondContact N-O 3.29Å; N526-S530 PolarHBondContact O-OG 2.9Å
527G70.3Confident77.2Confident43 Ų4377.7 Ų77.744%0.44345%0.448SS..SBendtrans75.2-177.2176.400000114.8T525 A529T525-G527 PolarHBondContact O-N 3.43Å; T525-G527 VanDerWaalsContact O-N 3.13Å; G527-A529 PolarHBondContact O-N 2.93Å
528N67.9Low78.6Confident182 Ų18276.6 Ų76.697%0.97345%0.447SS*.THydrogen-bonded Turntrans-66.31.8-165.9-54.669.5000116.3
529A70.3Confident79.6Confident57 Ų5772.4 Ų72.447%0.47144%0.438SS..THydrogen-bonded Turntrans-139.81.9-170.600000115.1G527 F547 A548G527-A529 PolarHBondContact O-N 2.93Å; A529-F547 WeakPolarHBondContact O-CA 3.41Å; A529-A548 PolarHBondContact O-N 3.37Å
530S82.2Confident80.1Confident19 Ų1969.6 Ų69.613%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-147143.2177.3750000114.4N526 L546N526-S530 PolarHBondContact N-O 3.29Å; N526-S530 PolarHBondContact O-OG 2.9Å; S530-L546 VanDerWaalsContact CA-O 3.24Å; S530-L546 WeakPolarHBondContact CA-O 3.48Å
531I87.5Confident80.7Confident77 Ų7772.6 Ų72.640%0.39544%0.439SS..EExtended strand (participates in β ladder)trans-127.9122.9176-57.1174.8000108I523 T525 V533 T545 L546I523-I531 HydrophobicContact CG2-CG2 3.8Å; T525-I531 HydrophobicContact CG2-CG1 4.29Å; I531-V533 HydrophobicContact CG2-CG2 4.24Å; I531-T545 CarbonylContact O-C 3.57Å; I531-T545 WeakPolarHBondContact O-CA 3.47Å; I531-L546 PolarHBondContact N-O 3.38Å; I531-L546 PolarHBondContact O-N 3.28Å
532T86.1Confident80.8Confident26 Ų2674.2 Ų74.216%0.1644%0.438CS..EExtended strand (participates in β ladder)trans-98.3128.9171.9-58.40000109.4I523 S524 G544 T545I523-T532 WeakPolarHBondContact CA-O 3.4Å; S524-T532 PolarHBondContact N-O 3.07Å; S524-T532 PolarHBondContact O-N 3.1Å; T532-G544 WeakPolarHBondContact CA-O 3.37Å; T532-T545 PolarHBondContact OG1-OG1 3.15Å
533V90.1Very high81.2Confident44 Ų4475 Ų7527%0.26744%0.444SS..EExtended strand (participates in β ladder)trans-117.4129.1175.7179.90000107.9L521 I523 I531 V535 S543 G544L521-V533 HydrophobicContact CD1-CG1 3.9Å; I523-V533 HydrophobicContact CG1-CG1 4.29Å; I523-V533 HydrophobicContact CG1-CG2 4.31Å; I523-V533 HydrophobicContact CG2-CG2 4.32Å; I531-V533 HydrophobicContact CG2-CG2 4.24Å; V533-V535 HydrophobicContact CG1-CG2 4.44Å; V533-S543 CarbonylContact O-C 3.55Å; V533-S543 WeakPolarHBondContact O-CA 3.49Å; V533-G544 PolarHBondContact N-O 3.41Å; V533-G544 PolarHBondContact O-N 2.9Å
534S87.3Confident81.5Confident23 Ų2372.8 Ų72.816%0.16144%0.441CS..EExtended strand (participates in β ladder)trans-128.8122.7177.9-610000110.3S522 Y542 S543S522-S534 PolarHBondContact N-O 2.82Å; S522-S534 PolarHBondContact O-N 3.3Å; S522-S534 WeakPolarHBondContact OG-CB 3.42Å; S522-S534 PolarHBondContact OG-O 3.35Å; S534-Y542 CarbonylContact C-O 3.57Å; S534-Y542 WeakPolarHBondContact CA-O 3.42Å; S534-S543 WeakPolarHBondContact OG-CB 3.5Å; S534-S543 PolarHBondContact OG-OG 3.02Å
535V90.8Very high81.9Confident43 Ų4372.3 Ų72.326%0.26144%0.436SS..EExtended strand (participates in β ladder)trans-113.8124.4178.2-165.10000109.1S520 L521 V533 V537 I541 Y542S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.18Å; L521-V535 HydrophobicContact CD1-CG2 3.89Å; V533-V535 HydrophobicContact CG1-CG2 4.44Å; V535-V537 HydrophobicContact CG1-CG2 3.86Å; V535-I541 WeakPolarHBondContact O-CA 3.38Å; V535-Y542 PolarHBondContact N-O 3.13Å; V535-Y542 PolarHBondContact O-N 3.03Å
536E88.4Confident82.2Confident72 Ų7273.6 Ų73.634%0.33644%0.438SS..EExtended strand (participates in β ladder)trans-95.5123.3170.7-165.5177.9170.600109.7M519 S520 G539 T540 I541M519-E536 CarbonylContact C-O 3.55Å; M519-E536 VanDerWaalsContact CA-O 3.31Å; M519-E536 WeakPolarHBondContact CA-O 3.46Å; S520-E536 PolarHBondContact N-O 2.97Å; S520-E536 VanDerWaalsContact N-O 3.08Å; S520-E536 PolarHBondContact O-N 3.2Å; S520-E536 WeakPolarHBondContact OG-CB 3.19Å; S520-E536 PolarHBondContact OG-OE2 2.91Å; E536-G539 WeakPolarHBondContact OE1-CA 3.4Å; E536-T540 WeakPolarHBondContact CA-O 3.4Å; E536-I541 HydrophobicContact CB-CG1 4.13Å; E536-I541 HydrophobicContact CG-CG1 3.84Å
537V86.3Confident82.9Confident44 Ų4475.1 Ų75.127%0.26744%0.439SS..EExtended strand (participates in β ladder)trans-127.7117.2178-169.30000108.1M519 V535 G539 T540 Y542M519-V537 HydrophobicContact CG-CB 4.37Å; M519-V537 HydrophobicContact CG-CG1 4.24Å; M519-V537 HydrophobicContact CG-CG2 3.88Å; M519-V537 HydrophobicContact SD-CG1 4.21Å; M519-V537 HydrophobicContact SD-CG2 4.18Å; V535-V537 HydrophobicContact CG1-CG2 3.86Å; V537-G539 VanDerWaalsContact C-N 3.27Å; V537-G539 PolarHBondContact O-N 3.27Å; V537-T540 PolarHBondContact N-O 3.26Å; V537-T540 WeakPolarHBondContact O-CB 3.17Å; V537-T540 PolarHBondContact O-N 2.9Å; V537-Y542 HydrophobicContact CB-CE2 4.35Å; V537-Y542 HydrophobicContact CG2-CD2 4.33Å; V537-Y542 HydrophobicContact CG2-CE2 4.5Å
538N78.6Confident83.3Confident113 Ų11376.7 Ų76.760%0.60445%0.448SS*.THydrogen-bonded Turntrans49.943.4-176.2-54.9-64.4000113.3Q517 T540Q517-N538 PolarHBondContact NE2-OD1 2.86Å; N538-T540 VanDerWaalsContact C-N 3.28Å; N538-T540 PolarHBondContact O-N 3.38Å
539G77.6Confident83.4Confident58 Ų5877.2 Ų77.260%0.59845%0.445SS*.THydrogen-bonded Turntrans774.1-178.600000115.6E536 V537E536-G539 WeakPolarHBondContact OE1-CA 3.4Å; V537-G539 VanDerWaalsContact C-N 3.27Å; V537-G539 PolarHBondContact O-N 3.27Å
540T75.1Confident83Confident72 Ų7284.2 Ų84.244%0.44247%0.465SS..EExtended strand (participates in β ladder)trans-105.9118.2177.3-560000110.1E536 V537 N538 Y542E536-T540 WeakPolarHBondContact CA-O 3.4Å; V537-T540 PolarHBondContact N-O 3.26Å; V537-T540 WeakPolarHBondContact O-CB 3.17Å; V537-T540 PolarHBondContact O-N 2.9Å; N538-T540 VanDerWaalsContact C-N 3.28Å; N538-T540 PolarHBondContact O-N 3.38Å; T540-Y542 HydrophobicContact CG2-CD2 4.33Å; T540-Y542 HydrophobicContact CG2-CE1 4.48Å; T540-Y542 HydrophobicContact CG2-CE2 3.64Å; T540-Y542 WeakPolarHBondContact O-CD2 3.48Å
541I86.6Confident81.4Confident113 Ų11388.8 Ų88.858%0.57950%0.496SS*.EExtended strand (participates in β ladder)trans-90.3115.9-178.4-56.5173.7000110.6V535 E536V535-I541 WeakPolarHBondContact O-CA 3.38Å; E536-I541 HydrophobicContact CB-CG1 4.13Å; E536-I541 HydrophobicContact CG-CG1 3.84Å
542Y84.1Confident79.4Confident149 Ų14988.9 Ų88.958%0.58452%0.517SS*.EExtended strand (participates in β ladder)trans-98.9111.5171.9-63.1-89.4000109.3S534 V535 V537 T540S534-Y542 CarbonylContact C-O 3.57Å; S534-Y542 WeakPolarHBondContact CA-O 3.42Å; V535-Y542 PolarHBondContact N-O 3.13Å; V535-Y542 PolarHBondContact O-N 3.03Å; V537-Y542 HydrophobicContact CB-CE2 4.35Å; V537-Y542 HydrophobicContact CG2-CD2 4.33Å; V537-Y542 HydrophobicContact CG2-CE2 4.5Å; T540-Y542 HydrophobicContact CG2-CD2 4.33Å; T540-Y542 HydrophobicContact CG2-CE1 4.48Å; T540-Y542 HydrophobicContact CG2-CE2 3.64Å; T540-Y542 WeakPolarHBondContact O-CD2 3.48Å
543S88.2Confident77.1Confident76 Ų7691.4 Ų91.453%0.53155%0.548SS..EExtended strand (participates in β ladder)trans-116.1140.1-179.3-165.50000112.4V533 S534V533-S543 CarbonylContact O-C 3.55Å; V533-S543 WeakPolarHBondContact O-CA 3.49Å; S534-S543 WeakPolarHBondContact OG-CB 3.5Å; S534-S543 PolarHBondContact OG-OG 3.02Å
544G88.8Confident74.5Confident35 Ų3594 Ų9436%0.36157%0.574SS.*EExtended strand (participates in β ladder)trans-145.1139175.400000112T532 V533T532-G544 WeakPolarHBondContact CA-O 3.37Å; V533-G544 PolarHBondContact N-O 3.41Å; V533-G544 PolarHBondContact O-N 2.9Å
545T87.6Confident72.7Confident59 Ų5999.1 Ų99.136%0.36261%0.606SS.*EExtended strand (participates in β ladder)trans-111.6118.7178.3-590000110.4I531 T532 F547I531-T545 CarbonylContact O-C 3.57Å; I531-T545 WeakPolarHBondContact O-CA 3.47Å; T532-T545 PolarHBondContact OG1-OG1 3.15Å; T545-F547 HydrophobicContact CG2-CD2 4.27Å; T545-F547 HydrophobicContact CG2-CE1 4.08Å; T545-F547 HydrophobicContact CG2-CE2 3.69Å; T545-F547 HydrophobicContact CG2-CZ 3.59Å
546L84.7Confident70.1Confident120 Ų12099.9 Ų99.963%0.62862%0.623SS**EExtended strand (participates in β ladder)trans-87.7134.6172.4-74.872.1000108.9S530 I531S530-L546 VanDerWaalsContact CA-O 3.24Å; S530-L546 WeakPolarHBondContact CA-O 3.48Å; I531-L546 PolarHBondContact N-O 3.38Å; I531-L546 PolarHBondContact O-N 3.28Å
547F81.7Confident67.8Low152 Ų152103.1 Ų103.167%0.66765%0.651SS**EExtended strand (participates in β ladder)trans-113.6136175.3-65-86.4000110.4A529 T545 Q549A529-F547 WeakPolarHBondContact O-CA 3.41Å; T545-F547 HydrophobicContact CG2-CD2 4.27Å; T545-F547 HydrophobicContact CG2-CE1 4.08Å; T545-F547 HydrophobicContact CG2-CE2 3.69Å; T545-F547 HydrophobicContact CG2-CZ 3.59Å; F547-Q549 PolarHBondContact O-N 3.1Å
548A79.1Confident65.6Low77 Ų77107.4 Ų107.464%0.63668%0.676SS**  trans-72.8113.9176.700000110.7A529 K550A529-A548 PolarHBondContact O-N 3.37Å; A548-K550 PolarHBondContact O-N 3.45Å
549Q70.3Confident63.5Low193 Ų193109.4 Ų109.490%0.90269%0.692SS**  trans-72117.9173.3-74.7-167.9-12.600110.8F547 S551F547-Q549 PolarHBondContact O-N 3.1Å; Q549-S551 PolarHBondContact O-N 3.34Å
550K61.1Low61.5Low204 Ų204111 Ų11189%0.88770%0.7SS**  trans-70.9115.4166.2-177.7-179.7179.3-178.30108.7A548 G552A548-K550 PolarHBondContact O-N 3.45Å; K550-G552 PolarHBondContact O-N 3.2Å
551S49.5Very low59.4Low114 Ų114112.4 Ų112.480%0.79772%0.719SS**  trans-60.7115.6178.752.50000111.7Q549 G553Q549-S551 PolarHBondContact O-N 3.34Å; S551-G553 PolarHBondContact O-N 3.45Å
552G45.6Very low56.9Low80 Ų80112.6 Ų112.683%0.82573%0.73SS**  trans-83.2108.5174.500000111.4K550K550-G552 PolarHBondContact O-N 3.2Å
553G38.6Very low54.3Low79 Ų79110.4 Ų110.481%0.81474%0.743SS**PPolyproline II helixtrans-76.3133.6170.700000111.7S551S551-G553 PolarHBondContact O-N 3.45Å
554A35.6Very low51.7Low97 Ų97110.8 Ų110.880%0.80275%0.751SS**PPolyproline II helixtrans-74.3153.5170.700000111.2
555P47.6Very low48.9Very low131 Ų131115 Ų11585%0.85178%0.775SS**PPolyproline II helixtrans-82.1134.6-165.231.1-35.4000114.4
556G37.5Very low46.3Very low60 Ų60117.5 Ų117.562%0.61980%0.795SS**PPolyproline II helixtrans-94159.7159.400000111.7
557P39.8Very low43.8Very low140 Ų140117.1 Ų117.191%0.90980%0.802SS**PPolyproline II helixtrans-72.3137.9-172.729.4-35.2000112.8
558V39Very low42.2Very low133 Ų133116 Ų11681%0.80681%0.81SS**PPolyproline II helixtrans-97.4136.8171.5-70.10000111.3
559V34.6Very low40Very low155 Ų155117.1 Ų117.194%0.93982%0.82SS**  trans-116.5129.8154.9-73.20000107.3
560A36.8Very low38.3Very low91 Ų91111.3 Ų111.375%0.75281%0.812SS**  trans-122.2145.3-165.800000112.6
561A31.6Very low37.7Very low103 Ų103107.7 Ų107.785%0.85181%0.809SS**  trans-144142.5162.500000108.2
562S33.3Very low36.9Very low116 Ų116107 Ų10781%0.81180%0.804SS**  trans-139.2146.5-151.3-490000114.2
563A30.3Very low36.3Very low103 Ų103108.4 Ų108.485%0.85180%0.801SS**  trans-166.3150.1153.500000110.5
564A32.1Very low36.1Very low85 Ų85108.8 Ų108.870%0.70279%0.791SS**  cis-169.8169-24.900000108.6
565S30.5Very low35.9Very low122 Ų122114.2 Ų114.285%0.85380%0.797SS**  trans69.8141.1174.775.40000116.6
566S32.9Very low35Very low113 Ų113111.4 Ų111.479%0.7979%0.792SS**  cis-154.4143.8-5.9480000112.2
567S32.1Very low34.5Very low112 Ų112118.3 Ų118.378%0.78381%0.805SS**  trans-77166.8171.1-41.40000112.5
568P47.2Very low34Very low127 Ų127116.1 Ų116.183%0.82579%0.794SS**  -139.4171.185.436.4-21.8000113.1
569A32.9Very low33.5Very low102 Ų102114 Ų11484%0.84379%0.79SS**  cis-163.1159.8-21.400000108
570G34.8Very low34.4Very low71 Ų71112 Ų11273%0.73278%0.78SS**  trans166.5131.8173.500000114.4
571P49.2Very low34.1Very low127 Ų127116.1 Ų116.183%0.82578%0.784SS**  trans-92.2167.717937.6-35.4000112.5
572S32.2Very low34Very low99 Ų99115.3 Ų115.369%0.69278%0.777SS**  cis-174173.4-18.255.50000108.9
573S33.4Very low33.8Very low110 Ų110118 Ų11877%0.76978%0.777SS**  trans67.6152.3164.978.10000116.7
574S34.4Very low33.6Very low88 Ų88118.5 Ų118.562%0.61577%0.77SS**  cis-161.5159.4-15.331.50000111.6
575F30.8Very low33.5Very low211 Ų211122.3 Ų122.393%0.92578%0.777SS**  trans-12.8147.7162.3-23.1-68.9000118.8
576G29.3Very low33.6Very low72 Ų72121.7 Ų121.774%0.74277%0.773SS**  cis157.5-179-2.800000114.1
577F27.2Very low33.9Very low204 Ų204122.3 Ų122.390%0.89577%0.774SS**  trans57121.2156.7-159.2-117.3000122.5
578S28.9Very low34Very low95 Ų95123 Ų12366%0.66477%0.774SS**  trans85.1156.3145.5-80.60000123.3
579A29.5Very low34.2Very low89 Ų89121.4 Ų121.474%0.73676%0.763SS**  trans-125.3-167.5179.300000107.6
580P53.2Low34.1Very low112 Ų112121.6 Ų121.673%0.72776%0.759SS**  cis-134.4-160.4-2.832.2-7.5000113.6
581Q29.3Very low34.2Very low178 Ų178121.7 Ų121.783%0.83275%0.748SS**  trans82107.7163.3-58.6-166.57.400120.2
582A29.7Very low33.6Very low86 Ų86120.9 Ų120.971%0.71174%0.741SS**  69.7139.6114.600000123
583Q28.7Very low33.7Very low171 Ų171121.1 Ų121.180%0.79974%0.743SS**  trans84109.7151.4-73.9-174.9103.100121.8
584T27.5Very low33.9Very low114 Ų114121 Ų12170%0.69974%0.742SS**  87.7153.7129.763.50000122.2
585L30.3Very low34Very low166 Ų166121.9 Ų121.987%0.86975%0.748SS**  trans77.4108.6164.4-52.3-172.5000119.6
586S32.3Very low34.3Very low109 Ų109122 Ų12276%0.76275%0.748SS**  trans-65.9163.6156.1-350000111.2
587P38.8Very low34.4Very low125 Ų125121.6 Ų121.681%0.81274%0.744SS**  -143.7171.182.436.2-18.5000116.5
588T33.7Very low34.7Very low128 Ų128118.4 Ų118.479%0.78575%0.747SS**  trans-94.3-165.3174.557.80000110.4
589P52Low34.9Very low92 Ų92117.6 Ų117.660%0.59775%0.754SS**  cis-130.2-169.4-8.343.7-25000113.4
590S29.8Very low35.1Very low106 Ų106119.3 Ų119.374%0.74176%0.76SS**  -177.9133.787.532.90000114.7
591S37Very low34.3Very low74 Ų74118.7 Ų118.752%0.51776%0.764SS.*  33.8145.8126.1-36.20000120.7
592T36.6Very low34.5Very low110 Ų110118.4 Ų118.468%0.67576%0.763SS**  cis-167.4-173.814.7-8.30000108.7P13P13-T592 HydrophobicContact CG-CG2 4.11Å
593S34.7Very low34.7Very low104 Ų104122 Ų12273%0.72777%0.77SS**  cis-162.6167.4243.50000113.5
594S37.2Very low35.3Very low108 Ų108118 Ų11876%0.75577%0.765SS**  trans-51.6176158.9150000116.7
595S38.1Very low36.9Very low105 Ų105118 Ų11873%0.73477%0.767SS**  cis-177.3162.5-5.947.80000112.6
596K36.4Very low37.4Very low213 Ų213114.8 Ų114.893%0.92676%0.759SS**  trans144.9148.4152.8-86.1173.9179.5-1760110.6
597G31.9Very low38Very low64 Ų64114.8 Ų114.866%0.6676%0.759SS**  cis153.8123.2-15.300000115
598S34Very low38.1Very low138 Ų138114.1 Ų114.197%0.96576%0.757SS**  trans59.1155.5168.352.10000118.6
599G31.9Very low39.3Very low77 Ų77117.4 Ų117.479%0.79478%0.781SS**  cis-173.4177.5-0.500000112.3
600S34.6Very low38.6Very low126 Ų126118.7 Ų118.788%0.88179%0.79SS**  trans-87155.5-170.1-44.80000116
601A35.8Very low39.1Very low98 Ų98119.4 Ų119.481%0.8179%0.793SS**  171122.7120.400000115.8
602E33.3Very low39.2Very low173 Ų173121.9 Ų121.981%0.80881%0.808SS**  41.6134.9126.6-158160.4122.800125.6
603L35.1Very low39.4Very low162 Ų162122.6 Ų122.685%0.84882%0.816SS**  trans72.6162.5154.3-82.3172.5000123
604A39.8Very low39.7Very low85 Ų85123.8 Ų123.870%0.70282%0.821SS**  trans-128.7-173.7-174.500000109.3
605P61.7Low39.8Very low114 Ų114124.8 Ų124.874%0.7483%0.826SS**  cis-142.2-15013.845-23.1000115.2
606S41.1Very low40Very low100 Ų100126.2 Ų126.270%0.69983%0.832SS**  trans69.1118.3173.547.40000116.8
607S45.2Very low40.2Very low108 Ų108119.5 Ų119.576%0.75583%0.825SS**  64.9126.76877.30000112.9
608S40.5Very low40.9Very low111 Ų111124.2 Ų124.278%0.77684%0.839SS**  cis-163.2-177.614-950000108.6
609P58.2Low41.6Very low198 Ų198122.9 Ų122.9100%1.28683%0.827SS**  cis-111.70-0.841-30.4000115.3

Retrieved 609 of 609 residues in 138.1 ms (Link to these results)