A0A3Q0KL02_SCHMA Loading...

Putative pre-B-cell leukemia transcription factor 1, 2,3, 4 (Pbx)

AlphaFold DB , UniProt , Accession A0A3Q0KL02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 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
1M36.2Very low39Very low161 Ų161144.6 Ų144.679%0.79380%0.795SS**  0111.40-76.688.6166.800107.1W3 K184M1-W3 PolarHBondContact O-N 3.48Å; M1-K184 PolarHBondContact SD-NZ 3.32Å
2S34.7Very low39Very low102 Ų102141 Ų14171%0.71380%0.799SS**  trans-74.6111.1-179.6179.80000109H4S2-H4 PolarHBondContact O-N 3.15Å; S2-H4 PolarHBondContact OG-ND1 3.16Å
3W41Very low39Very low235 Ų235137.3 Ų137.389%0.8980%0.796SS**  trans-91.591.5172.7-72.197.7000108.6M1 Q5M1-W3 PolarHBondContact O-N 3.48Å; W3-Q5 PolarHBondContact O-N 3.38Å
4H39.1Very low39.2Very low167 Ų167135.7 Ų135.777%0.77379%0.793SS**  trans-73.9114.7160.1-87.762.5000108.2S2S2-H4 PolarHBondContact O-N 3.15Å; S2-H4 PolarHBondContact OG-ND1 3.16Å
5Q45.8Very low38.8Very low183 Ų183138.3 Ų138.386%0.85580%0.801SS**PPolyproline II helixtrans-74.6136.1161.1-89.3-177.2-69.200109.1W3W3-Q5 PolarHBondContact O-N 3.38Å
6P41.6Very low38.9Very low121 Ų121140.2 Ų140.279%0.78680%0.8SS**PPolyproline II helixtrans-69.9133172.728-29.6000109.7L8P6-L8 PolarHBondContact O-N 2.87Å
7G35.3Very low38.7Very low75 Ų75142.6 Ų142.677%0.77380%0.803SS**PPolyproline II helixtrans-57.3129178.200000111.9D9G7-D9 PolarHBondContact O-N 3.28Å
8L40.3Very low38.6Very low166 Ų166144.4 Ų144.487%0.86981%0.809SS**  trans-72.9100.2158.7-76164.7000106.8P6 V10P6-L8 PolarHBondContact O-N 2.87Å; L8-V10 PolarHBondContact O-N 3.47Å
9D35.9Very low38.7Very low143 Ų143143.3 Ų143.377%0.76581%0.806SS**  trans-67.695.2169-168.8-2.7000108.6G7 S11G7-D9 PolarHBondContact O-N 3.28Å; D9-S11 PolarHBondContact O-N 2.99Å; D9-S11 WeakPolarHBondContact OD1-CB 3.5Å; D9-S11 PolarHBondContact OD1-N 2.98Å
10V41.7Very low38.6Very low141 Ų141141.6 Ų141.686%0.85580%0.801SS**  trans-85.862.6169.6-174.10000107.5L8L8-V10 PolarHBondContact O-N 3.47Å
11S37.9Very low38.5Very low97 Ų97143.7 Ų143.768%0.67880%0.804SS**  trans-140.947.9175.8-167.30000111.8D9D9-S11 PolarHBondContact O-N 2.99Å; D9-S11 WeakPolarHBondContact OD1-CB 3.5Å; D9-S11 PolarHBondContact OD1-N 2.98Å
12A39.1Very low38.3Very low101 Ų101139.4 Ų139.484%0.83580%0.801SS**  trans-161.767.4166.300000111.2
13A38.4Very low38.4Very low93 Ų93142.2 Ų142.277%0.76981%0.807SS**  trans-125.4123.6164.200000108.6L15A13-L15 PolarHBondContact O-N 3.36Å
14P41.8Very low38.1Very low115 Ų115139.3 Ų139.375%0.74781%0.808SS**  trans-63.8128.8-176-17.329.3000111.4H16P14-H16 VanDerWaalsContact C-N 3.34Å; P14-H16 PolarHBondContact O-N 3.36Å
15L33.3Very low37.8Very low175 Ų175136.2 Ų136.292%0.91681%0.805SS**  trans-57.692.2165-98.7154.4000109.5A13 Q17A13-L15 PolarHBondContact O-N 3.36Å; L15-Q17 PolarHBondContact O-N 3.17Å
16H40.8Very low37.3Very low168 Ų168135.1 Ų135.178%0.77881%0.805SS**  trans-71.4110.1162.7-98.6-110.9000108.2P14 L18P14-H16 VanDerWaalsContact C-N 3.34Å; P14-H16 PolarHBondContact O-N 3.36Å; H16-L18 PolarHBondContact O-N 2.91Å
17Q35.5Very low37.1Very low182 Ų182136.9 Ų136.985%0.8580%0.803SS**  trans-57.3115.2166.9-72.7-178.522.800109L15 T19L15-Q17 PolarHBondContact O-N 3.17Å; Q17-T19 PolarHBondContact O-N 3.25Å
18L36.6Very low37.3Very low174 Ų174144.4 Ų144.491%0.91181%0.81SS**  trans-76.7107168.6-78.6161.5000108.5H16H16-L18 PolarHBondContact O-N 2.91Å
19T41.2Very low37.3Very low123 Ų123145 Ų14576%0.75581%0.812SS**  trans-69.8140165.428.90000110.4Q17 H21Q17-T19 PolarHBondContact O-N 3.25Å; T19-H21 PolarHBondContact O-N 2.73Å
20P35.9Very low37.2Very low110 Ų110143.4 Ų143.471%0.71481%0.813SS**  trans-98.572.3-173.937.7-31.6000111
21H36.9Very low37Very low186 Ų186139.9 Ų139.986%0.86181%0.805SS**  trans-157.4127.7170.6-86.1-70000112.8T19T19-H21 PolarHBondContact O-N 2.73Å
22G32.3Very low36.9Very low70 Ų70145 Ų14572%0.72282%0.815SS**  trans114.1112.7140.800000117.3
23L37Very low37Very low162 Ų162146.7 Ų146.785%0.84881%0.81SS**  trans79.978.1145.1-49.8179.5000116.9S25L23-S25 VanDerWaalsContact C-N 3.35Å; L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å
24L33.7Very low37Very low174 Ų174151.4 Ų151.491%0.91182%0.817SS**  trans-60.3101.9140.9-72.1169.6000107.9N26L24-N26 VanDerWaalsContact C-N 3.32Å; L24-N26 PolarHBondContact O-N 3.24Å
25S33.7Very low36.9Very low102 Ų102150.8 Ų150.871%0.71382%0.815SS**  trans-65.993.6167.7-49.10000108.8L23 E27L23-S25 VanDerWaalsContact C-N 3.35Å; L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å; S25-E27 PolarHBondContact O-N 2.85Å; S25-E27 VanDerWaalsContact O-N 3.09Å
26N34.2Very low37.3Very low159 Ų159148.2 Ų148.285%0.8581%0.811SS**  trans-81.858175-154.830.8000109.6L24L24-N26 VanDerWaalsContact C-N 3.32Å; L24-N26 PolarHBondContact O-N 3.24Å
27E38.2Very low37.1Very low158 Ų158144 Ų14474%0.73881%0.814SS**  trans-12510.3-173.3-75.9-153.9129.500115.3S25S25-E27 PolarHBondContact O-N 2.85Å; S25-E27 VanDerWaalsContact O-N 3.09Å
28Y39.5Very low37.5Very low234 Ų234138.7 Ų138.792%0.91881%0.808SS**SBendtrans-107.615.7178.7-88.4-83000115.7
29L40.6Very low38Very low177 Ų177137.1 Ų137.193%0.92780%0.798SS**  trans-134.645.7175.4-95.8155.2000111.1
30S33.5Very low38.8Very low111 Ų111138 Ų13878%0.77680%0.797SS**  trans-108.979.1167.357.30000109.1
31G36.5Very low39.8Very low67 Ų67137.8 Ų137.869%0.69180%0.799SS**  trans-176.648.9-17700000113.9
32F37.4Very low40.8Very low203 Ų203135.2 Ų135.289%0.8979%0.787SS**SBendtrans-155.398.5158.2-130.1-91.3000110.9
33D39.8Very low42.4Very low137 Ų137137 Ų13773%0.73378%0.78SS**  trans49.4104.1144.9-141.321.6000120S35D33-S35 PolarHBondContact O-N 2.98Å
34Q38.2Very low44.1Very low193 Ų193132 Ų13290%0.90276%0.763SS**  trans-77.7101.5161.7-76.7173.134.900108.9
35S39.6Very low46.1Very low101 Ų101129.2 Ų129.271%0.70675%0.748SS**  trans-159.9125.9156.4-87.70000110.8D33D33-S35 PolarHBondContact O-N 2.98Å
36S41.9Very low48.2Very low121 Ų121129.1 Ų129.185%0.84674%0.739SS**  trans76.6103.8167.7-145.90000114.7
37G37.3Very low50.3Low81 Ų81125.7 Ų125.784%0.83572%0.724SS**  cis79.759.446.800000111.1
38G44.9Very low52.2Low70 Ų70123.6 Ų123.672%0.72271%0.714SS**  trans149.58.7169.500000120.2
39M46.4Very low54.2Low141 Ų141117.6 Ų117.670%0.69570%0.695SS**  trans-130.531-171.8-77.1172.2151.600114.8S41M39-S41 PolarHBondContact O-N 2.84Å
40D56.9Low56Low140 Ų140118.1 Ų118.175%0.74968%0.684SS**Hα-helixtrans-74.3-25.5-176.3-64.3-43.5000113.6A44D40-A44 WeakPolarHBondContact O-CB 3.47Å; D40-A44 PolarHBondContact O-N 3.36Å
41S58.1Low58.4Low106 Ų106115.7 Ų115.774%0.74167%0.671SS**Hα-helixtrans-77.3-36.3-177.5-53.20000113.7M39 L45M39-S41 PolarHBondContact O-N 2.84Å; S41-L45 PolarHBondContact O-N 3.13Å; S41-L45 VanDerWaalsContact O-N 3.17Å
42E58Low60.5Low133 Ų133118.1 Ų118.162%0.62166%0.664SS**Hα-helixtrans-69.9-37.9176.7-92.1-175.9118.500111.7L45 L46E42-L45 PolarHBondContact O-N 3.46Å; E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 VanDerWaalsContact O-CG 3.31Å; E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.26Å
43N64.9Low62.6Low106 Ų106112.8 Ų112.857%0.56765%0.645SS**Hα-helixtrans-71.8-34-179.5-144.3-7.9000112T47N43-T47 WeakPolarHBondContact O-CB 3.33Å; N43-T47 PolarHBondContact O-N 3.42Å; N43-T47 PolarHBondContact O-OG1 3.33Å
44A73.4Confident64.7Low59 Ų59109.3 Ų109.349%0.48863%0.628SS.*Hα-helixtrans-64.3-44.7171.300000111.9D40 T47 E48D40-A44 WeakPolarHBondContact O-CB 3.47Å; D40-A44 PolarHBondContact O-N 3.36Å; A44-T47 PolarHBondContact O-N 2.96Å; A44-E48 WeakPolarHBondContact O-CB 3.5Å; A44-E48 PolarHBondContact O-N 3.09Å
45L76.1Confident67Low115 Ų115101.8 Ų101.860%0.60260%0.602SS**Hα-helixtrans-62.6-44.8177.6-170.877000111.9S41 E42 T47 E48 Q49S41-L45 PolarHBondContact O-N 3.13Å; S41-L45 VanDerWaalsContact O-N 3.17Å; E42-L45 PolarHBondContact O-N 3.46Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å; L45-E48 PolarHBondContact O-N 3.41Å; L45-Q49 WeakPolarHBondContact O-CB 3.45Å; L45-Q49 PolarHBondContact O-N 2.92Å
46L76.3Confident69.1Low100 Ų100106.3 Ų106.352%0.52460%0.604SS.*Hα-helixtrans-63.7-38.2176.7-72.9171.7000112E42 R50E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 VanDerWaalsContact O-CG 3.31Å; E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.26Å; L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 PolarHBondContact O-N 3.17Å
47T78.7Confident71.2Confident87 Ų87105.8 Ų105.853%0.53459%0.588SS.*Hα-helixtrans-66.7-43.4176.5-59.50000111.3N43 A44 L45 R50 A51N43-T47 WeakPolarHBondContact O-CB 3.33Å; N43-T47 PolarHBondContact O-N 3.42Å; N43-T47 PolarHBondContact O-OG1 3.33Å; A44-T47 PolarHBondContact O-N 2.96Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å; T47-R50 PolarHBondContact O-N 3.07Å; T47-A51 WeakPolarHBondContact O-CB 3.4Å; T47-A51 PolarHBondContact O-N 3.17Å
48E79.5Confident73.3Confident114 Ų114107 Ų10753%0.53358%0.575SS.*Hα-helixtrans-65-43.5176.2-167.2179.4171.700111.4A44 L45 R50 A51 Q52A44-E48 WeakPolarHBondContact O-CB 3.5Å; A44-E48 PolarHBondContact O-N 3.09Å; L45-E48 PolarHBondContact O-N 3.41Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.46Å; E48-A51 PolarHBondContact O-N 2.99Å; E48-Q52 VanDerWaalsContact O-CG 3.3Å; E48-Q52 WeakPolarHBondContact O-CG 3.24Å; E48-Q52 PolarHBondContact O-N 2.94Å; E48-Q52 PolarHBondContact OE1-NE2 3.42Å
49Q79.9Confident75.1Confident108 Ų108110.6 Ų110.651%0.50557%0.573SS.*Hα-helixtrans-59.4-41.8175.1-168.6-179.521.800111.3L45 Q52 L53L45-Q49 WeakPolarHBondContact O-CB 3.45Å; L45-Q49 PolarHBondContact O-N 2.92Å; Q49-Q52 PolarHBondContact O-N 3.42Å; Q49-L53 HydrophobicContact CG-CD1 4.24Å; Q49-L53 WeakPolarHBondContact O-CB 3.48Å; Q49-L53 WeakPolarHBondContact O-CD1 3.5Å; Q49-L53 PolarHBondContact O-N 2.94Å
50R80Confident76.8Confident188 Ų188110 Ų11071%0.70957%0.568SS**Hα-helixtrans-66.2-40.5175.9-171.4176.6-178.3172.50.6112.2L46 T47 E48 L53 T54L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 PolarHBondContact O-N 3.17Å; T47-R50 PolarHBondContact O-N 3.07Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.46Å; R50-L53 PolarHBondContact O-N 3.43Å; R50-T54 WeakPolarHBondContact O-CB 3.4Å; R50-T54 PolarHBondContact O-N 2.9Å; R50-T54 PolarHBondContact O-OG1 2.89Å
51A81.9Confident77.9Confident60 Ų60109 Ų10950%0.49656%0.563SS.*Hα-helixtrans-64.3-41.9175.800000111.6T47 E48 T54 G55T47-A51 WeakPolarHBondContact O-CB 3.4Å; T47-A51 PolarHBondContact O-N 3.17Å; E48-A51 PolarHBondContact O-N 2.99Å; A51-T54 PolarHBondContact O-N 3.45Å; A51-G55 PolarHBondContact O-N 2.71Å
52Q81.4Confident79.1Confident117 Ų117110.3 Ų110.355%0.54756%0.56SS.*Hα-helixtrans-64.6-42.3175.1-7017714.700112.3E48 Q49 G55 R56E48-Q52 VanDerWaalsContact O-CG 3.3Å; E48-Q52 WeakPolarHBondContact O-CG 3.24Å; E48-Q52 PolarHBondContact O-N 2.94Å; E48-Q52 PolarHBondContact OE1-NE2 3.42Å; Q49-Q52 PolarHBondContact O-N 3.42Å; Q52-G55 PolarHBondContact O-N 3.37Å; Q52-R56 PolarHBondContact O-N 2.94Å
53L81.8Confident80.3Confident92 Ų92106.1 Ų106.148%0.48255%0.546SS..Hα-helixtrans-59.5-51.7173.4-88.2154.6000111.3Q49 R50 G55 R56 E57Q49-L53 HydrophobicContact CG-CD1 4.24Å; Q49-L53 WeakPolarHBondContact O-CB 3.48Å; Q49-L53 WeakPolarHBondContact O-CD1 3.5Å; Q49-L53 PolarHBondContact O-N 2.94Å; R50-L53 PolarHBondContact O-N 3.43Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.38Å; L53-R56 PolarHBondContact O-N 3.32Å; L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.11Å
54T84.1Confident81Confident63 Ų63104.8 Ų104.839%0.38754%0.542SS..Hα-helixtrans-59.9-41.8178.7-49.60000111R50 A51 E57 L58R50-T54 WeakPolarHBondContact O-CB 3.4Å; R50-T54 PolarHBondContact O-N 2.9Å; R50-T54 PolarHBondContact O-OG1 2.89Å; A51-T54 PolarHBondContact O-N 3.45Å; T54-E57 PolarHBondContact O-N 3.37Å; T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CB 3.38Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.3Å; T54-L58 PolarHBondContact O-N 2.9Å
55G85.2Confident81.3Confident35 Ų35106.1 Ų106.136%0.36155%0.553SS.*Hα-helixtrans-61.5-43.5176.200000112.9A51 Q52 L53 L58 Q59A51-G55 PolarHBondContact O-N 2.71Å; Q52-G55 PolarHBondContact O-N 3.37Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.38Å; G55-L58 PolarHBondContact O-N 3.17Å; G55-Q59 WeakPolarHBondContact O-CB 3.42Å; G55-Q59 PolarHBondContact O-N 2.86Å
56R84.5Confident81.6Confident197 Ų197108.4 Ų108.474%0.74356%0.56SS**Hα-helixtrans-63-44.8174.1-85.8-173.4178.5164.12112.4Q52 L53 Q59 Q60Q52-R56 PolarHBondContact O-N 2.94Å; L53-R56 PolarHBondContact O-N 3.32Å; R56-Q59 PolarHBondContact O-N 3.4Å; R56-Q60 WeakPolarHBondContact O-CB 3.4Å; R56-Q60 PolarHBondContact O-N 3.45Å
57E85.2Confident81.9Confident109 Ų109105.3 Ų105.351%0.50954%0.542SS..Hα-helixtrans-62.2-44.7178.5-71.3174.716300111.3L53 T54 Q59 Q60 L61L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.11Å; T54-E57 PolarHBondContact O-N 3.37Å; E57-Q59 PolarHBondContact O-N 3.44Å; E57-Q60 WeakPolarHBondContact O-CB 3.47Å; E57-Q60 PolarHBondContact O-N 2.88Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.18Å
58L82.3Confident82.3Confident106 Ų106103.4 Ų103.456%0.55553%0.533SS*.Hα-helixtrans-62.3-42175-72.7173.1000111.9T54 G55 Q60 L61 L62T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CB 3.38Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.3Å; T54-L58 PolarHBondContact O-N 2.9Å; G55-L58 PolarHBondContact O-N 3.17Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.12Å; L58-L61 PolarHBondContact O-N 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 2.99Å
59Q82.5Confident82.7Confident147 Ų147104.1 Ų104.169%0.68754%0.54SS*.Hα-helixtrans-66.2-37.3177.1-169.5159.716.300111.8G55 R56 E57 L62 S63G55-Q59 WeakPolarHBondContact O-CB 3.42Å; G55-Q59 PolarHBondContact O-N 2.86Å; R56-Q59 PolarHBondContact O-N 3.4Å; E57-Q59 PolarHBondContact O-N 3.44Å; Q59-L62 PolarHBondContact O-N 2.83Å; Q59-S63 PolarHBondContact O-N 3.42Å
60Q82.2Confident83.1Confident127 Ų127104.5 Ų104.559%0.59355%0.545SS*.Hα-helixtrans-64.1-43.3173.1-170.1175.89.500111.3R56 E57 L58 S63 V64R56-Q60 WeakPolarHBondContact O-CB 3.4Å; R56-Q60 PolarHBondContact O-N 3.45Å; E57-Q60 WeakPolarHBondContact O-CB 3.47Å; E57-Q60 PolarHBondContact O-N 2.88Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.12Å; Q60-S63 PolarHBondContact O-N 2.9Å; Q60-S63 PolarHBondContact O-OG 2.97Å; Q60-V64 PolarHBondContact O-N 3.42Å
61L80.5Confident83.5Confident121 Ų12199.6 Ų99.663%0.63453%0.53SS*.Hα-helixtrans-62.7-43.2175-72.7170.1000111.9E57 L58 S63 V64E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.18Å; L58-L61 PolarHBondContact O-N 3.27Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 2.68Å; L61-V64 VanDerWaalsContact O-CB 3.26Å; L61-V64 WeakPolarHBondContact O-CB 3.49Å; L61-V64 PolarHBondContact O-N 2.92Å
62L83.3Confident83.6Confident132 Ų13298.9 Ų98.969%0.69152%0.524SS*.Hα-helixtrans-61.9-36.2177.1-147.983000111.5L58 Q59 V64 A65L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 2.99Å; Q59-L62 PolarHBondContact O-N 2.83Å; L62-V64 PolarHBondContact O-N 2.63Å; L62-A65 PolarHBondContact O-N 2.98Å
63S82.5Confident83.8Confident45 Ų4597.9 Ų97.932%0.31552%0.519SS..Hα-helixtrans-66-17.617682.20000113.9Q59 Q60 L61 A65 H66 Q67Q59-S63 PolarHBondContact O-N 3.42Å; Q60-S63 PolarHBondContact O-N 2.9Å; Q60-S63 PolarHBondContact O-OG 2.97Å; L61-S63 VanDerWaalsContact C-N 3.26Å; L61-S63 PolarHBondContact O-N 2.68Å; S63-A65 VanDerWaalsContact C-N 3.26Å; S63-A65 PolarHBondContact O-N 3.15Å; S63-H66 PolarHBondContact O-N 3.45Å; S63-Q67 VanDerWaalsContact C-NE2 3.33Å; S63-Q67 PolarHBondContact O-N 2.86Å; S63-Q67 PolarHBondContact O-NE2 3.27Å
64V80.3Confident84.1Confident79 Ų79100 Ų10048%0.47953%0.527SS..Hα-helixtrans-64.3-31.8175.4-177.30000112Q60 L61 L62 H66 Q67Q60-V64 PolarHBondContact O-N 3.42Å; L61-V64 VanDerWaalsContact O-CB 3.26Å; L61-V64 WeakPolarHBondContact O-CB 3.49Å; L61-V64 PolarHBondContact O-N 2.92Å; L62-V64 PolarHBondContact O-N 2.63Å; V64-H66 PolarHBondContact O-N 3.29Å; V64-Q67 PolarHBondContact O-N 2.89Å
65A80.2Confident84.1Confident87 Ų87101.9 Ų101.972%0.71953%0.527SS*.THydrogen-bonded Turntrans-67.2-17.7176.600000113.7L62 S63L62-A65 PolarHBondContact O-N 2.98Å; S63-A65 VanDerWaalsContact C-N 3.26Å; S63-A65 PolarHBondContact O-N 3.15Å
66H82.3Confident84.1Confident162 Ų162106.6 Ų106.675%0.7554%0.538SS*.THydrogen-bonded Turntrans-111.83.4-176.1-63.1-67.3000114S63 V64S63-H66 PolarHBondContact O-N 3.45Å; V64-H66 PolarHBondContact O-N 3.29Å
67Q81.4Confident84.2Confident35 Ų35103.6 Ų103.616%0.16453%0.532CS..  trans-71.8139.1178.6-89.715262.600111.8S63 V64 E71S63-Q67 VanDerWaalsContact C-NE2 3.33Å; S63-Q67 PolarHBondContact O-N 2.86Å; S63-Q67 PolarHBondContact O-NE2 3.27Å; V64-Q67 PolarHBondContact O-N 2.89Å; Q67-E71 HydrophobicContact CB-CB 4.38Å; Q67-E71 HydrophobicContact CG-CB 4.26Å; Q67-E71 WeakPolarHBondContact CG-OE2 3.44Å
68S87.5Confident84.4Confident48 Ų48101.9 Ų101.934%0.33653%0.532SS..  trans-64.8157.116764.70000110.8D70 E71 A72S68-D70 PolarHBondContact O-N 3.42Å; S68-E71 PolarHBondContact O-N 3.27Å; S68-E71 WeakPolarHBondContact OG-CB 3.18Å; S68-E71 WeakPolarHBondContact OG-CG 3.48Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 PolarHBondContact OG-OE1 3.5Å; S68-A72 PolarHBondContact O-N 3.49Å
69L87.2Confident84.5Confident129 Ų129102.7 Ų102.768%0.67554%0.536SS*.Hα-helixtrans-57.6-39176.4-179.962.6000111.3A72 Q73L69-A72 PolarHBondContact O-N 2.88Å; L69-Q73 VanDerWaalsContact O-CG 3.29Å; L69-Q73 WeakPolarHBondContact O-CG 3.44Å; L69-Q73 PolarHBondContact O-N 3.49Å
70D88.9Confident84.6Confident115 Ų11599 Ų9962%0.61552%0.521SS*.Hα-helixtrans-66.4-44.9179.4-63.3-23.2000111.3S68 A72 Q73 E74S68-D70 PolarHBondContact O-N 3.42Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 3.3Å; D70-Q73 WeakPolarHBondContact O-CB 3.39Å; D70-Q73 PolarHBondContact O-N 2.95Å; D70-Q73 VanDerWaalsContact O-N 3.17Å; D70-E74 PolarHBondContact O-N 3.46Å
71E88.4Confident84.9Confident86 Ų8697.4 Ų97.440%0.40253%0.525SS..Hα-helixtrans-60.5-40.9174.4-77.7163.8-12800112.1Q67 S68 Q73 E74 R75Q67-E71 HydrophobicContact CB-CB 4.38Å; Q67-E71 HydrophobicContact CG-CB 4.26Å; Q67-E71 WeakPolarHBondContact CG-OE2 3.44Å; S68-E71 PolarHBondContact O-N 3.27Å; S68-E71 WeakPolarHBondContact OG-CB 3.18Å; S68-E71 WeakPolarHBondContact OG-CG 3.48Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 PolarHBondContact OG-OE1 3.5Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-E74 PolarHBondContact O-N 2.91Å; E71-R75 WeakPolarHBondContact O-CG 3.39Å; E71-R75 PolarHBondContact O-N 3.35Å
72A84.2Confident85.4Confident44 Ų4496.1 Ų96.136%0.36452%0.515SS..Hα-helixtrans-65.2-38.9176.700000111.6S68 L69 D70 K76S68-A72 PolarHBondContact O-N 3.49Å; L69-A72 PolarHBondContact O-N 2.88Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 3.3Å; A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 PolarHBondContact O-N 2.85Å
73Q85.5Confident85.9Confident96 Ų96101 Ų10145%0.44952%0.524SS..Hα-helixtrans-66.9-42.4175.4-75-180-1700112.1L69 D70 E71 K76 Q77L69-Q73 VanDerWaalsContact O-CG 3.29Å; L69-Q73 WeakPolarHBondContact O-CG 3.44Å; L69-Q73 PolarHBondContact O-N 3.49Å; D70-Q73 WeakPolarHBondContact O-CB 3.39Å; D70-Q73 PolarHBondContact O-N 2.95Å; D70-Q73 VanDerWaalsContact O-N 3.17Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 3.32Å; Q73-Q77 WeakPolarHBondContact O-CG 3.5Å; Q73-Q77 PolarHBondContact O-N 3.18Å
74E88Confident86.4Confident138 Ų138103.8 Ų103.865%0.64554%0.535SS*.Hα-helixtrans-62.1-45.7176.4-172.6178.5-167.700111.2D70 E71 K76 Q77 S78D70-E74 PolarHBondContact O-N 3.46Å; E71-E74 PolarHBondContact O-N 2.91Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 PolarHBondContact O-N 2.89Å; E74-Q77 PolarHBondContact O-N 2.93Å; E74-Q77 VanDerWaalsContact O-N 3.12Å; E74-S78 WeakPolarHBondContact O-CB 3.28Å; E74-S78 PolarHBondContact O-N 3.34Å
75R84.7Confident86.8Confident101 Ų101102.9 Ų102.938%0.38152%0.524SS..Hα-helixtrans-60.8-42.2174.5-72.5-179.1-170.5-166.79.7112.3E71 Q77 S78 L79E71-R75 WeakPolarHBondContact O-CG 3.39Å; E71-R75 PolarHBondContact O-N 3.35Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; R75-Q77 PolarHBondContact O-N 3.39Å; R75-S78 PolarHBondContact O-N 3.35Å; R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 3.25Å
76K85Confident87.3Confident135 Ų135103.2 Ų103.259%0.58752%0.519SS*.Hα-helixtrans-59.6-42.2173.9178.6-175.5173.9-174.80111.3A72 Q73 E74 N80A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 PolarHBondContact O-N 2.85Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 3.32Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-K76 PolarHBondContact O-N 2.89Å; K76-N80 VanDerWaalsContact O-CB 3.28Å; K76-N80 WeakPolarHBondContact O-CB 3.48Å; K76-N80 PolarHBondContact O-N 3.28Å; K76-N80 PolarHBondContact O-ND2 3.32Å; K76-N80 VanDerWaalsContact O-ND2 3.15Å
77Q86.7Confident87.8Confident133 Ų13398.2 Ų98.262%0.62151%0.506SS*.Hα-helixtrans-67.8-40.9177-71.6-17720.600112.4Q73 E74 R75 N80 S81Q73-Q77 WeakPolarHBondContact O-CG 3.5Å; Q73-Q77 PolarHBondContact O-N 3.18Å; E74-Q77 PolarHBondContact O-N 2.93Å; E74-Q77 VanDerWaalsContact O-N 3.12Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; R75-Q77 PolarHBondContact O-N 3.39Å; Q77-N80 PolarHBondContact O-N 3.37Å; Q77-S81 PolarHBondContact O-N 2.89Å; Q77-S81 PolarHBondContact O-OG 2.89Å
78S88.8Confident88.4Confident74 Ų74100.7 Ų100.752%0.51752%0.52SS..Hα-helixtrans-60.8-47.1174.8-179.70000111.8E74 R75 N80 S81 H82E74-S78 WeakPolarHBondContact O-CB 3.28Å; E74-S78 PolarHBondContact O-N 3.34Å; R75-S78 PolarHBondContact O-N 3.35Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3Å; S78-S81 PolarHBondContact O-N 2.95Å; S78-S81 PolarHBondContact O-OG 2.78Å; S78-S81 VanDerWaalsContact O-OG 3.13Å; S78-H82 PolarHBondContact O-N 3.46Å; S78-H82 VanDerWaalsContact O-N 3.09Å
79L85Confident88.6Confident122 Ų122101.5 Ų101.564%0.63952%0.516SS*.Hα-helixtrans-62.8-39.2174-71.8173000112.2R75 S81 H82R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 3.25Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.02Å; L79-H82 WeakPolarHBondContact O-CB 3.33Å; L79-H82 PolarHBondContact O-N 3.42Å
80N85Confident88.8Confident69 Ų6998.1 Ų98.137%0.36950%0.504SS..Hα-helixtrans-67.5-27.4178.6-81.3-29.8000113.8K76 Q77 S78 K85K76-N80 VanDerWaalsContact O-CB 3.28Å; K76-N80 WeakPolarHBondContact O-CB 3.48Å; K76-N80 PolarHBondContact O-N 3.28Å; K76-N80 PolarHBondContact O-ND2 3.32Å; K76-N80 VanDerWaalsContact O-ND2 3.15Å; Q77-N80 PolarHBondContact O-N 3.37Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3Å; N80-K85 WeakPolarHBondContact O-CD 3.03Å; N80-K85 PolarHBondContact OD1-NZ 3.38Å
81S88.1Confident88.9Confident95 Ų9596.1 Ų96.166%0.66450%0.495SS*.Hα-helixtrans-97.30.1178.654.50000113.5Q77 S78 L79 R83Q77-S81 PolarHBondContact O-N 2.89Å; Q77-S81 PolarHBondContact O-OG 2.89Å; S78-S81 PolarHBondContact O-N 2.95Å; S78-S81 PolarHBondContact O-OG 2.78Å; S78-S81 VanDerWaalsContact O-OG 3.13Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.02Å; S81-R83 PolarHBondContact O-N 2.8Å
82H90.2Very high89.1Confident93 Ų9397 Ų9743%0.43150%0.498SS..  trans-62.4132.9-177.9-169.7-91000112.4S78 L79 L84 K85S78-H82 PolarHBondContact O-N 3.46Å; S78-H82 VanDerWaalsContact O-N 3.09Å; L79-H82 WeakPolarHBondContact O-CB 3.33Å; L79-H82 PolarHBondContact O-N 3.42Å; H82-L84 VanDerWaalsContact C-N 3.26Å; H82-L84 PolarHBondContact ND1-N 3.2Å; H82-L84 VanDerWaalsContact ND1-N 3.15Å; H82-L84 PolarHBondContact O-N 3.22Å; H82-L84 VanDerWaalsContact O-N 3.16Å; H82-K85 VanDerWaalsContact O-CB 3.24Å; H82-K85 WeakPolarHBondContact O-CB 3.42Å; H82-K85 PolarHBondContact O-N 3.46Å
83R93.7Very high89.3Confident236 Ų23695.5 Ų95.589%0.89149%0.485SS*.THydrogen-bonded Turntrans-58.1-33.1-175.2-67.2-172.268-160.5-0.2114.4S81 K85 P86S81-R83 PolarHBondContact O-N 2.8Å; R83-K85 VanDerWaalsContact C-N 3.35Å; R83-P86 WeakPolarHBondContact O-CD 3.27Å
84L92.7Very high89.5Confident102 Ų10295 Ų9553%0.53448%0.483SS..THydrogen-bonded Turntrans-82.3-9.4178.9-59.1-179.2000113.7H82 A87 L88H82-L84 VanDerWaalsContact C-N 3.26Å; H82-L84 PolarHBondContact ND1-N 3.2Å; H82-L84 VanDerWaalsContact ND1-N 3.15Å; H82-L84 PolarHBondContact O-N 3.22Å; H82-L84 VanDerWaalsContact O-N 3.16Å; L84-A87 PolarHBondContact O-N 3.24Å; L84-L88 HydrophobicContact CB-CD1 4.35Å; L84-L88 HydrophobicContact CB-CG 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.5Å; L84-L88 PolarHBondContact O-N 3.35Å
85K90.2Very high89.5Confident60 Ų6092.7 Ų92.726%0.26147%0.474SS..Hα-helixtrans-55.6-47.6-176177.9-177.9176.9179.50112.4N80 H82 R83 A87 L88 Y89 R205N80-K85 WeakPolarHBondContact O-CD 3.03Å; N80-K85 PolarHBondContact OD1-NZ 3.38Å; H82-K85 VanDerWaalsContact O-CB 3.24Å; H82-K85 WeakPolarHBondContact O-CB 3.42Å; H82-K85 PolarHBondContact O-N 3.46Å; R83-K85 VanDerWaalsContact C-N 3.35Å; K85-A87 VanDerWaalsContact C-N 3.34Å; K85-A87 PolarHBondContact O-N 3.43Å; K85-L88 PolarHBondContact O-N 3.27Å; K85-Y89 VanDerWaalsContact O-CB 3.25Å; K85-Y89 WeakPolarHBondContact O-CB 3.48Å; K85-Y89 PolarHBondContact O-N 2.87Å; K85-R205 PolarHBondContact NZ-O 3.47Å
86P90.8Very high89.5Confident94 Ų9490.5 Ų90.561%0.6147%0.467SS*.Hα-helixtrans-62.8-38.1179.1-22.935000113.2R83 Y89 S90R83-P86 WeakPolarHBondContact O-CD 3.27Å; P86-Y89 WeakPolarHBondContact O-CB 3.47Å; P86-Y89 PolarHBondContact O-N 3.04Å; P86-S90 PolarHBondContact O-N 3.05Å; P86-S90 VanDerWaalsContact O-N 3.07Å
87A92.8Very high89.1Confident58 Ų5888 Ų8848%0.47946%0.457SS..Hα-helixtrans-68-47.6178.800000111.7L84 K85 Y89 S90 V91L84-A87 PolarHBondContact O-N 3.24Å; K85-A87 VanDerWaalsContact C-N 3.34Å; K85-A87 PolarHBondContact O-N 3.43Å; A87-Y89 VanDerWaalsContact C-N 3.29Å; A87-Y89 PolarHBondContact O-N 3.1Å; A87-S90 PolarHBondContact O-N 3.1Å; A87-V91 WeakPolarHBondContact O-CG2 3.31Å; A87-V91 PolarHBondContact O-N 3.02Å; A87-V91 VanDerWaalsContact O-N 3.11Å
88L92.3Very high88.9Confident87 Ų8789.2 Ų89.246%0.45546%0.46SS..Hα-helixtrans-60.7-40.7174.8-71.4174.5000111.4L84 K85 S90 V91 F92L84-L88 HydrophobicContact CB-CD1 4.35Å; L84-L88 HydrophobicContact CB-CG 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.5Å; L84-L88 PolarHBondContact O-N 3.35Å; K85-L88 PolarHBondContact O-N 3.27Å; L88-S90 PolarHBondContact O-N 3.28Å; L88-V91 PolarHBondContact O-N 2.67Å; L88-F92 HydrophobicContact CB-CD2 4.28Å; L88-F92 HydrophobicContact CB-CE2 3.95Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 WeakPolarHBondContact O-CD2 3.4Å; L88-F92 VanDerWaalsContact O-CG 3.3Å; L88-F92 WeakPolarHBondContact O-CG 3.47Å; L88-F92 PolarHBondContact O-N 3.25Å
89Y92.1Very high88.4Confident64 Ų6490.5 Ų90.525%0.25147%0.465SS..Hα-helixtrans-57.1-48.1175.9-172.6-85.3000111.8K85 P86 A87 F92 C93 S204 P208 I209K85-Y89 VanDerWaalsContact O-CB 3.25Å; K85-Y89 WeakPolarHBondContact O-CB 3.48Å; K85-Y89 PolarHBondContact O-N 2.87Å; P86-Y89 WeakPolarHBondContact O-CB 3.47Å; P86-Y89 PolarHBondContact O-N 3.04Å; A87-Y89 VanDerWaalsContact C-N 3.29Å; A87-Y89 PolarHBondContact O-N 3.1Å; Y89-F92 PolarHBondContact O-N 3.31Å; Y89-C93 WeakPolarHBondContact CE1-SG 3.26Å; Y89-C93 WeakPolarHBondContact O-CB 3.38Å; Y89-C93 PolarHBondContact O-N 2.82Å; Y89-S204 WeakPolarHBondContact CE2-O 3.5Å; Y89-S204 WeakPolarHBondContact OH-CB 3.41Å; Y89-P208 HydrophobicContact CE2-CB 4.38Å; Y89-I209 PolarHBondContact OH-N 3.13Å; Y89-I209 VanDerWaalsContact OH-N 3.16Å; Y89-I209 PolarHBondContact OH-O 3.4Å
90S90.9Very high87.4Confident59 Ų5987.1 Ų87.141%0.41346%0.455SS..Hα-helixtrans-58-50.8176.9-165.60000111.5P86 A87 L88 F92 C93 E94P86-S90 PolarHBondContact O-N 3.05Å; P86-S90 VanDerWaalsContact O-N 3.07Å; A87-S90 PolarHBondContact O-N 3.1Å; L88-S90 PolarHBondContact O-N 3.28Å; S90-F92 VanDerWaalsContact C-N 3.34Å; S90-F92 PolarHBondContact O-N 3.22Å; S90-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 PolarHBondContact O-N 3.24Å; S90-E94 WeakPolarHBondContact O-CG 3.42Å; S90-E94 PolarHBondContact O-N 3.43Å; S90-E94 PolarHBondContact OG-OE1 2.85Å
91V92.6Very high86.1Confident72 Ų7284.5 Ų84.544%0.43644%0.441SS..Hα-helixtrans-61.2-42.5-179.8174.40000111.4A87 L88 E94 I95A87-V91 WeakPolarHBondContact O-CG2 3.31Å; A87-V91 PolarHBondContact O-N 3.02Å; A87-V91 VanDerWaalsContact O-N 3.11Å; L88-V91 PolarHBondContact O-N 2.67Å; V91-E94 PolarHBondContact O-N 2.8Å; V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.36Å; V91-I95 WeakPolarHBondContact O-CB 3.3Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.5Å; V91-I95 PolarHBondContact O-N 3.16Å
92F91.5Very high84.5Confident106 Ų10683 Ų8347%0.46543%0.43SS..Hα-helixtrans-66.6-38177-68.4-46.6000112.7L88 Y89 S90 K96 P208L88-F92 HydrophobicContact CB-CD2 4.28Å; L88-F92 HydrophobicContact CB-CE2 3.95Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 WeakPolarHBondContact O-CD2 3.4Å; L88-F92 VanDerWaalsContact O-CG 3.3Å; L88-F92 WeakPolarHBondContact O-CG 3.47Å; L88-F92 PolarHBondContact O-N 3.25Å; Y89-F92 PolarHBondContact O-N 3.31Å; S90-F92 VanDerWaalsContact C-N 3.34Å; S90-F92 PolarHBondContact O-N 3.22Å; F92-K96 VanDerWaalsContact O-CB 3.22Å; F92-K96 WeakPolarHBondContact O-CB 3.21Å; F92-K96 PolarHBondContact O-N 3.36Å; F92-P208 HydrophobicContact CB-CB 3.83Å; F92-P208 HydrophobicContact CB-CG 3.82Å
93C89.3Confident82.9Confident12 Ų1285.1 Ų85.18%0.08144%0.444CS..Hα-helixtrans-61.8-45.9171.8-79.20000111.3Y89 S90 K96 E97Y89-C93 WeakPolarHBondContact CE1-SG 3.26Å; Y89-C93 WeakPolarHBondContact O-CB 3.38Å; Y89-C93 PolarHBondContact O-N 2.82Å; S90-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 PolarHBondContact O-N 3.24Å; C93-K96 PolarHBondContact O-N 2.94Å; C93-E97 WeakPolarHBondContact O-CB 3.47Å; C93-E97 WeakPolarHBondContact O-CG 3.32Å; C93-E97 PolarHBondContact O-N 3.24Å
94E88.6Confident81.3Confident86 Ų8682 Ų8240%0.40243%0.432SS..Hα-helixtrans-62.4-43.8177.4-73.1173.5-141.600112.9S90 V91 K96 E97 K98S90-E94 WeakPolarHBondContact O-CG 3.42Å; S90-E94 PolarHBondContact O-N 3.43Å; S90-E94 PolarHBondContact OG-OE1 2.85Å; V91-E94 PolarHBondContact O-N 2.8Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-E97 PolarHBondContact O-N 3.03Å; E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 VanDerWaalsContact O-CG 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.04Å
95I88.3Confident79.6Confident89 Ų8979.7 Ų79.746%0.45642%0.42SS..Hα-helixtrans-61.4-45.5175.2-69.2167.4000109.5V91 E97 K98 T99V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.36Å; V91-I95 WeakPolarHBondContact O-CB 3.3Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.5Å; V91-I95 PolarHBondContact O-N 3.16Å; I95-E97 VanDerWaalsContact C-N 3.32Å; I95-E97 PolarHBondContact O-N 3.22Å; I95-K98 PolarHBondContact O-N 3.39Å; I95-T99 WeakPolarHBondContact O-CB 3.47Å; I95-T99 PolarHBondContact O-N 2.85Å; I95-T99 PolarHBondContact O-OG1 3.33Å; I95-T99 VanDerWaalsContact O-OG1 3.04Å
96K84.1Confident77.8Confident54 Ų5480.4 Ų80.424%0.23543%0.433CS..Hα-helixtrans-63.8-37.7178.6-170.6-178.4179.2-172.40112.1F92 C93 E94 A100 L101 P208 E213F92-K96 VanDerWaalsContact O-CB 3.22Å; F92-K96 WeakPolarHBondContact O-CB 3.21Å; F92-K96 PolarHBondContact O-N 3.36Å; C93-K96 PolarHBondContact O-N 2.94Å; E94-K96 VanDerWaalsContact C-N 3.33Å; K96-A100 HydrophobicContact CG-CB 4.02Å; K96-A100 WeakPolarHBondContact O-CA 3.31Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.99Å; K96-L101 PolarHBondContact O-N 2.92Å; K96-P208 PolarHBondContact NZ-O 3.48Å; K96-E213 WeakPolarHBondContact CE-OE2 3.45Å; K96-E213 IonicContact NZ-OE1 3.55Å; K96-E213 PolarHBondContact NZ-OE1 3.31Å; K96-E213 IonicContact NZ-OE2 3.49Å; K96-E213 PolarHBondContact NZ-OE2 3.22Å
97E78.5Confident76.1Confident84 Ų8479.1 Ų79.139%0.39343%0.43SS..Iπ-helixtrans-62.3-45.1174.4-80.5172.8-171.400111.6C93 E94 I95 L101 S210C93-E97 WeakPolarHBondContact O-CB 3.47Å; C93-E97 WeakPolarHBondContact O-CG 3.32Å; C93-E97 PolarHBondContact O-N 3.24Å; E94-E97 PolarHBondContact O-N 3.03Å; I95-E97 VanDerWaalsContact C-N 3.32Å; I95-E97 PolarHBondContact O-N 3.22Å; E97-L101 HydrophobicContact CB-CD1 4.27Å; E97-L101 HydrophobicContact CG-CD1 3.4Å; E97-L101 VanDerWaalsContact CG-CD1 3.4Å; E97-S210 WeakPolarHBondContact OE1-CB 3.37Å; E97-S210 PolarHBondContact OE1-OG 3.46Å
98K81.7Confident74.5Confident157 Ų15777.1 Ų77.168%0.68341%0.412SS*.Iπ-helixtrans-70.1-35.8178.7-70169.2-177.8167.40113.3E94 I95E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 VanDerWaalsContact O-CG 3.31Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.04Å; I95-K98 PolarHBondContact O-N 3.39Å
99T77.8Confident72.7Confident101 Ų10174.9 Ų74.962%0.6240%0.403SS*.Iπ-helixtrans-99.9-40-172.3-49.60000114I95I95-T99 WeakPolarHBondContact O-CB 3.47Å; I95-T99 PolarHBondContact O-N 2.85Å; I95-T99 PolarHBondContact O-OG1 3.33Å; I95-T99 VanDerWaalsContact O-OG1 3.04Å
100A63.6Low70.7Confident51 Ų5175.4 Ų75.442%0.42142%0.421SS..Iπ-helixtrans-112.2-36.5-167.600000114K96K96-A100 HydrophobicContact CG-CB 4.02Å; K96-A100 WeakPolarHBondContact O-CA 3.31Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.99Å
101L58.8Low69Low14 Ų1475.7 Ų75.77%0.07342%0.42CS..Iπ-helixtrans-74.9-27179.3-72.2162.5000111.9K96 E97 L103 R104 N105 E213 L216K96-L101 PolarHBondContact O-N 2.92Å; E97-L101 HydrophobicContact CB-CD1 4.27Å; E97-L101 HydrophobicContact CG-CD1 3.4Å; E97-L101 VanDerWaalsContact CG-CD1 3.4Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.37Å; L101-R104 PolarHBondContact O-N 3.18Å; L101-N105 WeakPolarHBondContact O-CA 3.15Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 2.91Å; L101-N105 PolarHBondContact O-OD1 3.39Å; L101-E213 HydrophobicContact CD2-CB 4.27Å; L101-E213 HydrophobicContact CD2-CG 4.36Å; L101-L216 HydrophobicContact CD2-CD2 4.41Å
102S54.2Low67.1Low63 Ų6375.8 Ų75.844%0.44142%0.416SS..Hα-helixtrans-55.7-41.4174.7-171.70000113.2S106S102-S106 WeakPolarHBondContact O-CB 3.22Å; S102-S106 PolarHBondContact O-N 2.9Å; S102-S106 PolarHBondContact O-OG 2.96Å
103L55.6Low65.2Low138 Ų13877.7 Ų77.772%0.72343%0.431SS*.Hα-helixtrans-74-40.4-179.4-85.180.8000113.4L101 A107L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.37Å; L103-A107 PolarHBondContact O-N 3.22Å
104R61.3Low63.3Low172 Ų17284.2 Ų84.265%0.64946%0.46SS*.Hα-helixtrans-76.9-40.8178.7-104.1178.5176.4151.90.1112L101 A107 V108L101-R104 PolarHBondContact O-N 3.18Å; R104-A107 PolarHBondContact O-N 3.39Å; R104-V108 WeakPolarHBondContact O-CB 3.4Å; R104-V108 VanDerWaalsContact O-CG2 3.23Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 3.46Å
105N57Low61.6Low53 Ų5381.5 Ų81.528%0.28345%0.452SS..Hα-helixtrans-67.5-34.2173.6-71.227000110.9L101 A107 V108 S109 L216L101-N105 WeakPolarHBondContact O-CA 3.15Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 2.91Å; L101-N105 PolarHBondContact O-OD1 3.39Å; N105-A107 VanDerWaalsContact C-N 3.29Å; N105-A107 PolarHBondContact O-N 2.99Å; N105-V108 PolarHBondContact O-N 2.86Å; N105-S109 VanDerWaalsContact O-CA 3.3Å; N105-S109 WeakPolarHBondContact O-CA 3.26Å; N105-S109 WeakPolarHBondContact O-CB 3.37Å; N105-S109 PolarHBondContact O-N 3.28Å; N105-S109 PolarHBondContact O-OG 3.06Å; N105-L216 WeakPolarHBondContact OD1-CD2 3.42Å
106S52.3Low59.9Low74 Ų7484.3 Ų84.352%0.51747%0.469SS..Hα-helixtrans-61.4-40.3173.5-62.80000111.9S102 A110S102-S106 WeakPolarHBondContact O-CB 3.22Å; S102-S106 PolarHBondContact O-N 2.9Å; S102-S106 PolarHBondContact O-OG 2.96Å; S106-A110 WeakPolarHBondContact O-CB 3.4Å; S106-A110 PolarHBondContact O-N 3.28Å; S106-A110 VanDerWaalsContact O-N 3.15Å
107A55.2Low58.6Low67 Ų6784.9 Ų84.955%0.55448%0.479SS*.Hα-helixtrans-75.3-28.6177.700000113.6L103 R104 N105 V111L103-A107 PolarHBondContact O-N 3.22Å; R104-A107 PolarHBondContact O-N 3.39Å; N105-A107 VanDerWaalsContact C-N 3.29Å; N105-A107 PolarHBondContact O-N 2.99Å; A107-V111 WeakPolarHBondContact O-CG2 3.46Å
108V58.9Low58Low16 Ų1685.3 Ų85.310%0.09749%0.489CS..Hα-helixtrans-92.2-35.5-179.1179.70000112R104 N105 V111 E112 L216R104-V108 WeakPolarHBondContact O-CB 3.4Å; R104-V108 VanDerWaalsContact O-CG2 3.23Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 3.46Å; N105-V108 PolarHBondContact O-N 2.86Å; V108-V111 CarbonylContact O-C 3.52Å; V108-V111 WeakPolarHBondContact O-CA 3.37Å; V108-V111 WeakPolarHBondContact O-CB 3.46Å; V108-V111 PolarHBondContact O-N 3.42Å; V108-E112 WeakPolarHBondContact O-CG 3.42Å; V108-E112 PolarHBondContact O-N 3.1Å; V108-L216 HydrophobicContact CB-CD1 3.83Å; V108-L216 HydrophobicContact CG1-CD1 3.47Å; V108-L216 VanDerWaalsContact CG1-CD1 3.47Å; V108-L216 HydrophobicContact CG1-CG 4.5Å; V108-L216 HydrophobicContact CG2-CD1 4.28Å
109S53.6Low57.7Low40 Ų4081.1 Ų81.128%0.2847%0.474SS..Hα-helixtrans-82-28.9179.9-55.10000113.4N105 V111 E112 D113N105-S109 VanDerWaalsContact O-CA 3.3Å; N105-S109 WeakPolarHBondContact O-CA 3.26Å; N105-S109 WeakPolarHBondContact O-CB 3.37Å; N105-S109 PolarHBondContact O-N 3.28Å; N105-S109 PolarHBondContact O-OG 3.06Å; S109-V111 PolarHBondContact O-N 3.37Å; S109-E112 WeakPolarHBondContact CA-OE2 3.2Å; S109-E112 VanDerWaalsContact CB-OE2 3.3Å; S109-E112 WeakPolarHBondContact CB-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.09Å; S109-E112 PolarHBondContact OG-OE2 2.59Å; S109-D113 PolarHBondContact O-N 2.8Å
110A50.7Low58.1Low76 Ų7681.3 Ų81.363%0.62848%0.477SS*.THydrogen-bonded Turntrans-61.7-19.6162.800000112.2S106S106-A110 WeakPolarHBondContact O-CB 3.4Å; S106-A110 PolarHBondContact O-N 3.28Å; S106-A110 VanDerWaalsContact O-N 3.15Å
111V55.6Low59.2Low64 Ų6482.5 Ų82.539%0.38847%0.474SS..THydrogen-bonded Turntrans-94.6-15.1170.7-173.80000111.3A107 V108 S109 A115A107-V111 WeakPolarHBondContact O-CG2 3.46Å; V108-V111 CarbonylContact O-C 3.52Å; V108-V111 WeakPolarHBondContact O-CA 3.37Å; V108-V111 WeakPolarHBondContact O-CB 3.46Å; V108-V111 PolarHBondContact O-N 3.42Å; S109-V111 PolarHBondContact O-N 3.37Å; V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.34Å
112E53.5Low60.5Low74 Ų7483.1 Ų83.135%0.34648%0.477SS..Hα-helixtrans-78.1-32.6178.1-73.8167.1161.200113.1V108 S109 E114 A115 N116V108-E112 WeakPolarHBondContact O-CG 3.42Å; V108-E112 PolarHBondContact O-N 3.1Å; S109-E112 WeakPolarHBondContact CA-OE2 3.2Å; S109-E112 VanDerWaalsContact CB-OE2 3.3Å; S109-E112 WeakPolarHBondContact CB-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.09Å; S109-E112 PolarHBondContact OG-OE2 2.59Å; E112-E114 PolarHBondContact O-N 3.44Å; E112-A115 PolarHBondContact O-N 2.91Å; E112-A115 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-N 2.73Å
113D50Low62.2Low146 Ų14683.7 Ų83.778%0.78148%0.475SS*.Hα-helixtrans-64.8-31.2171.3-86.4-23.3000112.1S109S109-D113 PolarHBondContact O-N 2.8Å
114E50.5Low63.9Low150 Ų15084.6 Ų84.670%0.70147%0.469SS*.Hα-helixtrans-78.6-35.6168.5-87.1-80.913300112.4E112 S117E112-E114 PolarHBondContact O-N 3.44Å; E114-S117 WeakPolarHBondContact O-CB 3.39Å; E114-S117 PolarHBondContact O-N 3.35Å
115A52.6Low65.4Low28 Ų2876.8 Ų76.823%0.23144%0.44CS..Hα-helixtrans-83-13-174.100000115.4V111 E112 R226V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.34Å; E112-A115 PolarHBondContact O-N 2.91Å; E112-A115 VanDerWaalsContact O-N 3.14Å; A115-R226 PolarHBondContact O-NH1 3.48Å
116N52.1Low67Low149 Ų14976.4 Ų76.480%0.79744%0.438SS*.THydrogen-bonded Turntrans-86.5-14.4168.7-12123.8000112.6E112E112-N116 PolarHBondContact O-N 2.73Å
117S57.8Low68.9Low65 Ų6579.5 Ų79.546%0.45544%0.442SS..SBendtrans-74.8131.8164.8-67.50000108.9E114 D119E114-S117 WeakPolarHBondContact O-CB 3.39Å; E114-S117 PolarHBondContact O-N 3.35Å; S117-D119 PolarHBondContact O-N 3.27Å; S117-D119 VanDerWaalsContact O-N 3.08Å
118P66.1Low70.6Confident94 Ų9479.7 Ų79.761%0.6143%0.432SS*.  trans-60119.417624.7-31.7000108.1P120P118-P120 VanDerWaalsContact O-CD 3.23Å; P118-P120 WeakPolarHBondContact O-CD 3.08Å
119D75.6Confident72.2Confident68 Ų6879 Ų7936%0.36443%0.428SS..  trans-46.8113.4178.2171.64.8000108.7S117 Q121 L122 L123S117-D119 PolarHBondContact O-N 3.27Å; S117-D119 VanDerWaalsContact O-N 3.08Å; D119-Q121 PolarHBondContact O-N 3.09Å; D119-Q121 VanDerWaalsContact O-N 3.12Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.44Å; D119-Q121 PolarHBondContact OD1-N 3.3Å; D119-L122 HydrophobicContact CB-CB 3.77Å; D119-L122 WeakPolarHBondContact O-CB 3.39Å; D119-L122 PolarHBondContact O-N 2.95Å; D119-L123 PolarHBondContact O-N 2.87Å
120P84.5Confident74Confident105 Ų10580.9 Ų80.968%0.68244%0.438SS*.Hα-helixtrans-56.9-31.7-175.7-26.234.2000112.2P118 R124P118-P120 VanDerWaalsContact O-CD 3.23Å; P118-P120 WeakPolarHBondContact O-CD 3.08Å; P120-R124 VanDerWaalsContact O-CB 3.3Å; P120-R124 WeakPolarHBondContact O-CB 3.42Å; P120-R124 PolarHBondContact O-N 3.42Å
121Q87.2Confident75.8Confident76 Ų7681.2 Ų81.236%0.35544%0.44SS..Hα-helixtrans-68.7-47.2175.8179.5170.9-32.100110.9D119 L123 R124 L125 T230D119-Q121 PolarHBondContact O-N 3.09Å; D119-Q121 VanDerWaalsContact O-N 3.12Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.44Å; D119-Q121 PolarHBondContact OD1-N 3.3Å; Q121-L123 PolarHBondContact O-N 3.5Å; Q121-R124 WeakPolarHBondContact O-CB 3.32Å; Q121-R124 PolarHBondContact O-N 3.42Å; Q121-L125 HydrophobicContact CG-CD1 4.18Å; Q121-L125 VanDerWaalsContact O-CG 3.31Å; Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.74Å; Q121-T230 HydrophobicContact CG-CG2 4.21Å
122L87.3Confident77.3Confident27 Ų2780.3 Ų80.314%0.14143%0.432CS..Hα-helixtrans-60.2-46178-168.570.2000111.4D119 R124 L125 D126 E229 K233D119-L122 HydrophobicContact CB-CB 3.77Å; D119-L122 WeakPolarHBondContact O-CB 3.39Å; D119-L122 PolarHBondContact O-N 2.95Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.87Å; L122-L125 PolarHBondContact O-N 3.31Å; L122-D126 PolarHBondContact O-N 2.89Å; L122-E229 HydrophobicContact CD1-CG 4.44Å; L122-K233 HydrophobicContact CD1-CD 3.67Å
123L88.1Confident78.7Confident76 Ų7678.1 Ų78.140%0.39843%0.429SS..Hα-helixtrans-63.3-38.1178.3-171.669.7000112.1D119 Q121 D126 K127D119-L123 PolarHBondContact O-N 2.87Å; Q121-L123 PolarHBondContact O-N 3.5Å; L123-D126 PolarHBondContact O-N 3.31Å; L123-K127 WeakPolarHBondContact O-CG 3.31Å; L123-K127 PolarHBondContact O-N 2.95Å
124R91.9Very high80.4Confident156 Ų15671.2 Ų71.259%0.58939%0.392SS*.Hα-helixtrans-63.8-43.8174.6-178.8-178.668.5176.40.4111.3P120 Q121 L122 K127 M128P120-R124 VanDerWaalsContact O-CB 3.3Å; P120-R124 WeakPolarHBondContact O-CB 3.42Å; P120-R124 PolarHBondContact O-N 3.42Å; Q121-R124 WeakPolarHBondContact O-CB 3.32Å; Q121-R124 PolarHBondContact O-N 3.42Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.87Å; R124-K127 PolarHBondContact O-N 3.01Å; R124-M128 PolarHBondContact O-N 3.27Å
125L92.2Very high81.9Confident8 Ų865 Ų654%0.04237%0.365CS..Hα-helixtrans-64.8-42.6177-68.7170.3000111.2Q121 L122 K127 M128 L129 T230 K233 Q234 C237Q121-L125 HydrophobicContact CG-CD1 4.18Å; Q121-L125 VanDerWaalsContact O-CG 3.31Å; Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.74Å; L122-L125 PolarHBondContact O-N 3.31Å; L125-K127 PolarHBondContact O-N 3.48Å; L125-M128 WeakPolarHBondContact O-CB 3.47Å; L125-M128 PolarHBondContact O-N 3.25Å; L125-M128 VanDerWaalsContact O-N 3.11Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 3.2Å; L125-T230 HydrophobicContact CD1-CG2 4.03Å; L125-K233 HydrophobicContact CB-CB 3.94Å; L125-K233 HydrophobicContact CB-CD 4.47Å; L125-K233 HydrophobicContact CD1-CB 3.99Å; L125-K233 HydrophobicContact CG-CB 4.5Å; L125-Q234 HydrophobicContact CD1-CB 4.15Å; L125-Q234 HydrophobicContact CD2-CB 4.39Å; L125-C237 HydrophobicContact CD2-CB 4.2Å
126D91.7Very high82.7Confident46 Ų4665.6 Ų65.625%0.24637%0.373CS..Hα-helixtrans-58.5-47.4175.5-80.3-37.4000112L122 L123 M128 L129 V130 K233L122-D126 PolarHBondContact O-N 2.89Å; L123-D126 PolarHBondContact O-N 3.31Å; D126-M128 VanDerWaalsContact C-N 3.27Å; D126-M128 PolarHBondContact O-N 3.46Å; D126-L129 PolarHBondContact O-N 3.46Å; D126-V130 WeakPolarHBondContact O-CB 3.48Å; D126-V130 VanDerWaalsContact O-CG2 3.26Å; D126-V130 WeakPolarHBondContact O-CG2 3.38Å; D126-V130 PolarHBondContact O-N 3.2Å; D126-K233 VanDerWaalsContact OD1-CD 3.32Å; D126-K233 WeakPolarHBondContact OD1-CD 3.32Å; D126-K233 WeakPolarHBondContact OD1-CE 3.49Å; D126-K233 IonicContact OD1-NZ 2.8Å; D126-K233 PolarHBondContact OD1-NZ 2.99Å; D126-K233 IonicContact OD2-NZ 2.59Å; D126-K233 PolarHBondContact OD2-NZ 2.93Å
127K92.6Very high83.1Confident138 Ų13865 Ų6560%0.638%0.377SS*.Hα-helixtrans-59.4-38.8175.2-72.8174.4-179.9178.90112.1L123 R124 L125 A131L123-K127 WeakPolarHBondContact O-CG 3.31Å; L123-K127 PolarHBondContact O-N 2.95Å; R124-K127 PolarHBondContact O-N 3.01Å; L125-K127 PolarHBondContact O-N 3.48Å; K127-A131 WeakPolarHBondContact O-CB 3.3Å; K127-A131 PolarHBondContact O-N 2.92Å
128M90.9Very high82.7Confident71 Ų7164.3 Ų64.335%0.3538%0.381SS..Hα-helixtrans-66.9-45177.8-171-179.1-58.700111.9R124 L125 D126 A131 E132 C237R124-M128 PolarHBondContact O-N 3.27Å; L125-M128 WeakPolarHBondContact O-CB 3.47Å; L125-M128 PolarHBondContact O-N 3.25Å; L125-M128 VanDerWaalsContact O-N 3.11Å; D126-M128 VanDerWaalsContact C-N 3.27Å; D126-M128 PolarHBondContact O-N 3.46Å; M128-A131 PolarHBondContact O-N 3.31Å; M128-E132 PolarHBondContact O-N 3.28Å; M128-C237 HydrophobicContact SD-CB 3.54Å; M128-C237 VanDerWaalsContact SD-CB 3.54Å; M128-C237 PolarHBondContact SD-SG 2.78Å
129L92.5Very high81.8Confident2 Ų261.2 Ų61.21%0.0137%0.366CS..Hα-helixtrans-66.2-38.5177.6-68.9179.6000112.3L125 D126 E132 G133 V134 T135 Y178 K233 T236 C237L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 3.2Å; D126-L129 PolarHBondContact O-N 3.46Å; L129-E132 PolarHBondContact O-N 2.98Å; L129-G133 PolarHBondContact O-N 3.14Å; L129-V134 HydrophobicContact CB-CB 4.16Å; L129-V134 HydrophobicContact CD2-CB 4.02Å; L129-V134 HydrophobicContact CD2-CG1 4.07Å; L129-V134 HydrophobicContact CD2-CG2 4.2Å; L129-V134 WeakPolarHBondContact O-CB 3.38Å; L129-V134 PolarHBondContact O-N 2.89Å; L129-T135 HydrophobicContact CB-CG2 4.12Å; L129-T135 WeakPolarHBondContact CB-OG1 3.32Å; L129-T135 HydrophobicContact CD1-CG2 4.29Å; L129-T135 PolarHBondContact O-N 2.7Å; L129-Y178 HydrophobicContact CD1-CE2 3.89Å; L129-K233 HydrophobicContact CD1-CB 3.92Å; L129-K233 HydrophobicContact CD1-CD 4.3Å; L129-K233 HydrophobicContact CD1-CG 3.75Å; L129-T236 HydrophobicContact CD2-CG2 3.57Å; L129-C237 VanDerWaalsContact CD2-SG 3.52Å
130V91.5Very high80.5Confident80 Ų8063.2 Ų63.249%0.48539%0.386SS..Hα-helixtrans-63.9-43.9174.6170.90000111D126 E132 G133 T135D126-V130 WeakPolarHBondContact O-CB 3.48Å; D126-V130 VanDerWaalsContact O-CG2 3.26Å; D126-V130 WeakPolarHBondContact O-CG2 3.38Å; D126-V130 PolarHBondContact O-N 3.2Å; V130-E132 VanDerWaalsContact C-N 3.25Å; V130-E132 PolarHBondContact O-N 3.03Å; V130-G133 PolarHBondContact O-N 3.41Å; V130-T135 WeakPolarHBondContact CA-O 3.37Å; V130-T135 VanDerWaalsContact CG2-OG1 3.31Å; V130-T135 WeakPolarHBondContact CG2-OG1 3.43Å; V130-T135 PolarHBondContact N-OG1 3.17Å
131A88.2Confident78.5Confident82 Ų8264.7 Ų64.768%0.67839%0.387SS*.Hα-helixtrans-62-32.8-179.500000113.1K127 M128 G133K127-A131 WeakPolarHBondContact O-CB 3.3Å; K127-A131 PolarHBondContact O-N 2.92Å; M128-A131 PolarHBondContact O-N 3.31Å; A131-G133 VanDerWaalsContact C-N 3.29Å
132E85.9Confident76.2Confident46 Ų4667.4 Ų67.422%0.21540%0.404CS..THydrogen-bonded Turntrans-89.94.3177.3-63.6-68.9164.400112.8M128 L129 V130 V134 V240 R244M128-E132 PolarHBondContact O-N 3.28Å; L129-E132 PolarHBondContact O-N 2.98Å; V130-E132 VanDerWaalsContact C-N 3.25Å; V130-E132 PolarHBondContact O-N 3.03Å; E132-V134 VanDerWaalsContact C-N 3.25Å; E132-V134 HydrophobicContact CB-CG2 4.29Å; E132-V134 PolarHBondContact O-N 3.15Å; E132-V240 HydrophobicContact CB-CG1 3.81Å; E132-V240 HydrophobicContact CG-CG1 3.59Å; E132-R244 VanDerWaalsContact CD-NH1 3.33Å; E132-R244 VanDerWaalsContact OE1-CD 3.25Å; E132-R244 WeakPolarHBondContact OE1-CD 3.16Å; E132-R244 IonicContact OE1-CZ 2.91Å; E132-R244 IonicContact OE1-NE 3.42Å; E132-R244 PolarHBondContact OE1-NE 3.32Å; E132-R244 IonicContact OE1-NH1 3.75Å; E132-R244 PolarHBondContact OE1-NH1 3.47Å; E132-R244 WeakPolarHBondContact OE2-CD 3.49Å; E132-R244 IonicContact OE2-CZ 2.76Å; E132-R244 IonicContact OE2-NH1 2.68Å; E132-R244 PolarHBondContact OE2-NH1 3.02Å
133G84.7Confident74.1Confident28 Ų2873.8 Ų73.829%0.28944%0.438SS..THydrogen-bonded Turntrans72.215.2178.500000114.2L129 V130 A131 R175L129-G133 PolarHBondContact O-N 3.14Å; V130-G133 PolarHBondContact O-N 3.41Å; A131-G133 VanDerWaalsContact C-N 3.29Å; G133-R175 WeakPolarHBondContact O-CD 3.33Å
134V85Confident71.8Confident0 Ų076.8 Ų76.80%045%0.454CS..SBendtrans-71.8-41178.8-178.90000111.4L129 E132 L171 R175 Y178 H179 T236 V240L129-V134 HydrophobicContact CB-CB 4.16Å; L129-V134 HydrophobicContact CD2-CB 4.02Å; L129-V134 HydrophobicContact CD2-CG1 4.07Å; L129-V134 HydrophobicContact CD2-CG2 4.2Å; L129-V134 WeakPolarHBondContact O-CB 3.38Å; L129-V134 PolarHBondContact O-N 2.89Å; E132-V134 VanDerWaalsContact C-N 3.25Å; E132-V134 HydrophobicContact CB-CG2 4.29Å; E132-V134 PolarHBondContact O-N 3.15Å; V134-L171 HydrophobicContact CG2-CD1 4.32Å; V134-R175 HydrophobicContact CB-CG 4.19Å; V134-R175 HydrophobicContact CG1-CG 4.02Å; V134-R175 HydrophobicContact CG2-CG 4.31Å; V134-Y178 HydrophobicContact CG1-CD1 4.1Å; V134-Y178 HydrophobicContact CG1-CG 4.18Å; V134-H179 PolarHBondContact O-NE2 3.1Å; V134-T236 HydrophobicContact CG1-CG2 3.89Å; V134-V240 HydrophobicContact CG2-CG2 3.81Å
135T80.6Confident69.5Low20 Ų2077.4 Ų77.412%0.12347%0.469CS..SBendtrans-123.3157177.556.70000111.2L129 V130 Y178L129-T135 HydrophobicContact CB-CG2 4.12Å; L129-T135 WeakPolarHBondContact CB-OG1 3.32Å; L129-T135 HydrophobicContact CD1-CG2 4.29Å; L129-T135 PolarHBondContact O-N 2.7Å; V130-T135 WeakPolarHBondContact CA-O 3.37Å; V130-T135 VanDerWaalsContact CG2-OG1 3.31Å; V130-T135 WeakPolarHBondContact CG2-OG1 3.43Å; V130-T135 PolarHBondContact N-OG1 3.17Å; T135-Y178 HydrophobicContact CG2-CD1 3.98Å; T135-Y178 HydrophobicContact CG2-CE1 3.24Å
136G71.2Confident66.9Low40 Ų4081.4 Ų81.441%0.41250%0.497SS..SBendtrans110.4164.2178.800000114.1G138 G139G136-G138 PolarHBondContact O-N 3.02Å; G136-G139 PolarHBondContact O-N 2.66Å
137P59Low64.3Low136 Ų13686.4 Ų86.488%0.88352%0.524SS*.THydrogen-bonded Turntrans-62.7-9.2-172.322.3-31.5000114.7
138G49.8Very low61.5Low52 Ų5282 Ų8254%0.53652%0.518SS..THydrogen-bonded Turntrans-88.1-5.9173.600000115.4G136 S140 L141G136-G138 PolarHBondContact O-N 3.02Å; G138-S140 PolarHBondContact O-N 3.35Å; G138-S140 VanDerWaalsContact O-N 3.11Å; G138-L141 PolarHBondContact O-N 2.89Å
139G47.9Very low58.8Low28 Ų2884.9 Ų84.929%0.28954%0.542SS..THydrogen-bonded Turntrans-66.2-12.2-176.500000115.5G136G136-G139 PolarHBondContact O-N 2.66Å
140S47.3Very low56.1Low111 Ų11188.2 Ų88.278%0.77658%0.576SS**THydrogen-bonded Turntrans-1248.5179.5-88.80000114.5G138 N142G138-S140 PolarHBondContact O-N 3.35Å; G138-S140 VanDerWaalsContact O-N 3.11Å; S140-N142 PolarHBondContact O-N 3.43Å
141L42.2Very low53.3Low135 Ų13590.9 Ų90.971%0.70759%0.588SS**  trans-97.593.5172.7-64179.1000109.5G138G138-L141 PolarHBondContact O-N 2.89Å
142N40.5Very low50.8Low134 Ų13494.4 Ų94.472%0.71760%0.595SS**  trans21.7107.2135.7-59-31.1000116S140 D144S140-N142 PolarHBondContact O-N 3.43Å; N142-D144 PolarHBondContact O-N 3.27Å
143N43Very low48.4Very low160 Ų16095.9 Ų95.986%0.85662%0.622SS**SBend47.611.2126.9-84.3-7.9000122.3
144D38.5Very low46Very low139 Ų13999 Ų9974%0.74366%0.655SS**  trans-12540.2-166.8-149.125.2000115N142 S146N142-D144 PolarHBondContact O-N 3.27Å; D144-S146 PolarHBondContact O-N 2.6Å; D144-S146 VanDerWaalsContact O-N 3.11Å
145L43.5Very low43.7Very low170 Ų170102.1 Ų102.189%0.8969%0.687SS**SBendtrans-80.378.4144.5-75.4176.4000107.1D147L145-D147 PolarHBondContact O-N 3.11Å; L145-D147 VanDerWaalsContact O-N 3.11Å
146S37.7Very low42.1Very low91 Ų91107.1 Ų107.164%0.63672%0.719SS**  trans-15.9105.4155.5-166.30000111.2D144 G148D144-S146 PolarHBondContact O-N 2.6Å; D144-S146 VanDerWaalsContact O-N 3.11Å; S146-G148 PolarHBondContact O-N 3.46Å
147D38.1Very low41.1Very low151 Ų151107 Ų10781%0.80772%0.718SS**  trans-43.999.6136.9-168.145.1000106.3L145L145-D147 PolarHBondContact O-N 3.11Å; L145-D147 VanDerWaalsContact O-N 3.11Å
148G33.2Very low40.8Very low46 Ų46106.3 Ų106.347%0.47471%0.707SS.*  trans-68.4133.4166.400000106.1S146 G150S146-G148 PolarHBondContact O-N 3.46Å; G148-G150 PolarHBondContact O-N 3.35Å
149P34.8Very low41Very low132 Ų132107.7 Ų107.786%0.85771%0.708SS**  trans-72.482-179.830.9-32000108.3D151P149-D151 PolarHBondContact O-N 2.9Å
150G36.4Very low41.4Very low71 Ų71111 Ų11173%0.73272%0.719SS**  trans-93.780.3168.400000108.3G148G148-G150 PolarHBondContact O-N 3.35Å
151D32.8Very low42Very low136 Ų136111.7 Ų111.773%0.72771%0.71SS**  trans-1.7138.6150.3-16629.1000117.3P149P149-D151 PolarHBondContact O-N 2.9Å
152L35.4Very low42.9Very low156 Ų156110.1 Ų110.182%0.81770%0.701SS**  trans92.798166.1-45.7178.8000119
153G35.9Very low44.4Very low77 Ų77107 Ų10779%0.79468%0.683SS**  trans122.184.8141.500000116.5G155G153-G155 PolarHBondContact O-N 3.01Å
154G32.6Very low46.1Very low94 Ų94103.4 Ų103.497%0.96966%0.66SS**  trans-65.9120.2169.400000112.9
155G37.2Very low48.3Very low66 Ų6699.3 Ų99.368%0.6865%0.646SS**  trans143.6149163.300000114G153G153-G155 PolarHBondContact O-N 3.01Å
156P46.4Very low50.4Low124 Ų12494.9 Ų94.981%0.80562%0.623SS**  cis-87107.5-45.831.3-16.5000109.5
157G51Low52.8Low38 Ų3892.4 Ų92.439%0.39260%0.6SS.*  trans-84.4-11-165.400000117Q161G157-Q161 WeakPolarHBondContact O-CB 3.23Å; G157-Q161 WeakPolarHBondContact O-CG 3.3Å; G157-Q161 PolarHBondContact O-N 3.45Å; G157-Q161 PolarHBondContact O-NE2 2.86Å
158D52.6Low55.2Low121 Ų12192.7 Ų92.765%0.64759%0.59SS**Hα-helixtrans-77.6-40.4-168.3-76.8-14.2000114.1N160 Q161 I162D158-N160 PolarHBondContact O-N 3.37Å; D158-Q161 PolarHBondContact O-N 2.88Å; D158-I162 WeakPolarHBondContact O-CD1 3.18Å; D158-I162 WeakPolarHBondContact O-CG1 3.1Å; D158-I162 PolarHBondContact O-N 2.87Å
159C53Low58Low82 Ų8293.2 Ų93.255%0.55459%0.59SS**Hα-helixtrans-66.3-43-177.2-160.80000111.7I162 E163C159-I162 PolarHBondContact O-N 3.22Å; C159-E163 WeakPolarHBondContact O-CG 3.41Å; C159-E163 PolarHBondContact O-N 2.88Å
160N57.1Low60.8Low97 Ų9791.4 Ų91.452%0.51957%0.568SS.*Hα-helixtrans-68.1-36.6177.4-74.8-8000112D158 H164D158-N160 PolarHBondContact O-N 3.37Å; N160-H164 WeakPolarHBondContact O-CB 3.46Å; N160-H164 PolarHBondContact O-CD2 3.36Å; N160-H164 PolarHBondContact O-N 3.22Å
161Q61.1Low63.5Low125 Ų12588.9 Ų88.958%0.58454%0.538SS*.Hα-helixtrans-66.7-43176.6-78178.794.600111.8G157 D158 H164 A165G157-Q161 WeakPolarHBondContact O-CB 3.23Å; G157-Q161 WeakPolarHBondContact O-CG 3.3Å; G157-Q161 PolarHBondContact O-N 3.45Å; G157-Q161 PolarHBondContact O-NE2 2.86Å; D158-Q161 PolarHBondContact O-N 2.88Å; Q161-H164 PolarHBondContact O-N 2.93Å; Q161-A165 WeakPolarHBondContact O-CB 2.99Å; Q161-A165 PolarHBondContact O-N 3.08Å
162I60.9Low66.3Low102 Ų10284.4 Ų84.452%0.52352%0.518SS..Hα-helixtrans-62.4-46.2176-65.6164.5000110.3D158 C159 H164 A165 D166D158-I162 WeakPolarHBondContact O-CD1 3.18Å; D158-I162 WeakPolarHBondContact O-CG1 3.1Å; D158-I162 PolarHBondContact O-N 2.87Å; C159-I162 PolarHBondContact O-N 3.22Å; I162-H164 VanDerWaalsContact C-N 3.3Å; I162-H164 PolarHBondContact O-N 3.5Å; I162-A165 WeakPolarHBondContact O-CB 3.33Å; I162-A165 PolarHBondContact O-N 3.27Å; I162-A165 VanDerWaalsContact O-N 3.13Å; I162-D166 PolarHBondContact O-N 3.37Å
163E70.6Confident69.2Low70 Ų7082.4 Ų82.433%0.32750%0.504SS..Hα-helixtrans-61.7-37.6177-73176.6-16500112.5C159 Y167 F247C159-E163 WeakPolarHBondContact O-CG 3.41Å; C159-E163 PolarHBondContact O-N 2.88Å; E163-Y167 WeakPolarHBondContact O-CB 3.25Å; E163-Y167 PolarHBondContact O-N 3.49Å; E163-F247 WeakPolarHBondContact O-CE1 3.36Å
164H78.5Confident72.1Confident83 Ų8380 Ų8038%0.38447%0.473SS..Hα-helixtrans-69-37.4173.9-80.5-56.5000112.7N160 Q161 I162 R168N160-H164 WeakPolarHBondContact O-CB 3.46Å; N160-H164 PolarHBondContact O-CD2 3.36Å; N160-H164 PolarHBondContact O-N 3.22Å; Q161-H164 PolarHBondContact O-N 2.93Å; I162-H164 VanDerWaalsContact C-N 3.3Å; I162-H164 PolarHBondContact O-N 3.5Å; H164-R168 VanDerWaalsContact O-CG 3.29Å; H164-R168 WeakPolarHBondContact O-CG 3.35Å; H164-R168 PolarHBondContact O-N 2.97Å
165A84.9Confident75.1Confident54 Ų5478.4 Ų78.445%0.44644%0.437SS..Hα-helixtrans-64.2-45.5174.500000111.1Q161 I162 Y167 R168 A169Q161-A165 WeakPolarHBondContact O-CB 2.99Å; Q161-A165 PolarHBondContact O-N 3.08Å; I162-A165 WeakPolarHBondContact O-CB 3.33Å; I162-A165 PolarHBondContact O-N 3.27Å; I162-A165 VanDerWaalsContact O-N 3.13Å; A165-Y167 PolarHBondContact O-N 3.44Å; A165-R168 PolarHBondContact O-N 3.18Å; A165-A169 WeakPolarHBondContact O-CB 3.38Å; A165-A169 PolarHBondContact O-N 2.91Å
166D87.4Confident77.9Confident76 Ų7681.3 Ų81.341%0.40643%0.433SS..Hα-helixtrans-62.1-42.4177.1-77.2-12.8000112.2I162 A169 K170 F247I162-D166 PolarHBondContact O-N 3.37Å; D166-A169 PolarHBondContact O-N 3.19Å; D166-K170 WeakPolarHBondContact O-CB 3.43Å; D166-K170 VanDerWaalsContact O-CG 3.3Å; D166-K170 WeakPolarHBondContact O-CG 3.49Å; D166-K170 PolarHBondContact O-N 3.38Å; D166-F247 HydrophobicContact CB-CE1 3.99Å; D166-F247 HydrophobicContact CB-CZ 3.98Å
167Y89.5Confident80.2Confident40 Ų4079.4 Ų79.416%0.15742%0.416CS..Hα-helixtrans-59.6-48.6174.4177.2-95.8000111.2E163 A165 K170 L171 L243 R244 F247E163-Y167 WeakPolarHBondContact O-CB 3.25Å; E163-Y167 PolarHBondContact O-N 3.49Å; A165-Y167 PolarHBondContact O-N 3.44Å; Y167-K170 PolarHBondContact O-N 3.33Å; Y167-L171 HydrophobicContact CE1-CD2 4.11Å; Y167-L171 WeakPolarHBondContact O-CB 3.49Å; Y167-L171 PolarHBondContact O-N 2.83Å; Y167-L243 HydrophobicContact CD2-CD1 4.39Å; Y167-L243 HydrophobicContact CD2-CD2 4.08Å; Y167-L243 HydrophobicContact CD2-CG 3.86Å; Y167-L243 HydrophobicContact CE2-CD2 3.9Å; Y167-L243 HydrophobicContact CE2-CG 3.76Å; Y167-R244 HydrophobicContact CE2-CG 4.34Å; Y167-F247 HydrophobicContact CD2-CB 3.75Å; Y167-F247 HydrophobicContact CD2-CD1 4.27Å; Y167-F247 AromaticContact CD2-CD2 3.76Å; Y167-F247 HydrophobicContact CD2-CD2 3.76Å; Y167-F247 HydrophobicContact CD2-CE2 4.41Å; Y167-F247 AromaticContact CD2-CG 3.66Å; Y167-F247 HydrophobicContact CD2-CG 3.66Å; Y167-F247 HydrophobicContact CE2-CB 4.4Å; Y167-F247 HydrophobicContact CG-CD1 4.49Å; Y167-F247 HydrophobicContact CG-CG 4.31Å
168R88.4Confident82.4Confident156 Ų15677.9 Ų77.959%0.58940%0.398SS*.Hα-helixtrans-63.7-41.5-180-72.9176.3-174.5178.92.9111.8H164 A165 L171 S172H164-R168 VanDerWaalsContact O-CG 3.29Å; H164-R168 WeakPolarHBondContact O-CG 3.35Å; H164-R168 PolarHBondContact O-N 2.97Å; A165-R168 PolarHBondContact O-N 3.18Å; R168-L171 PolarHBondContact O-N 3.41Å; R168-S172 WeakPolarHBondContact O-CB 3.44Å; R168-S172 PolarHBondContact O-N 3.47Å
169A92.1Very high84.5Confident58 Ų5876.3 Ų76.348%0.47939%0.387SS..Hα-helixtrans-62.5-47.4176.800000111.4A165 D166 L171 S172 Q173A165-A169 WeakPolarHBondContact O-CB 3.38Å; A165-A169 PolarHBondContact O-N 2.91Å; D166-A169 PolarHBondContact O-N 3.19Å; A169-L171 PolarHBondContact O-N 3.08Å; A169-S172 WeakPolarHBondContact O-CB 3.09Å; A169-S172 PolarHBondContact O-N 3.13Å; A169-Q173 PolarHBondContact O-N 2.92Å
170K93.3Very high86.5Confident93 Ų9375.1 Ų75.140%0.40438%0.383SS..Hα-helixtrans-64.1-39.9176.8-72.2174.7-176.5177.10112.3D166 Y167 S172 Q173 I174 L243 F247D166-K170 WeakPolarHBondContact O-CB 3.43Å; D166-K170 VanDerWaalsContact O-CG 3.3Å; D166-K170 WeakPolarHBondContact O-CG 3.49Å; D166-K170 PolarHBondContact O-N 3.38Å; Y167-K170 PolarHBondContact O-N 3.33Å; K170-S172 VanDerWaalsContact C-N 3.33Å; K170-Q173 WeakPolarHBondContact O-CB 3.32Å; K170-Q173 PolarHBondContact O-N 3.24Å; K170-I174 WeakPolarHBondContact O-CG1 3.38Å; K170-I174 PolarHBondContact O-N 3.44Å; K170-L243 HydrophobicContact CB-CD1 3.61Å; K170-L243 HydrophobicContact CB-CD2 4.02Å; K170-L243 HydrophobicContact CD-CD1 3.77Å; K170-L243 HydrophobicContact CG-CD1 4.31Å; K170-F247 HydrophobicContact CD-CE2 3.86Å; K170-F247 HydrophobicContact CD-CZ 3.96Å
171L92.5Very high88.4Confident18 Ų1873.8 Ų73.89%0.09437%0.374CS..Hα-helixtrans-65.8-36.8174.6-174.862.3000111.8V134 Y167 R168 A169 Q173 I174 R175 V240 L243V134-L171 HydrophobicContact CG2-CD1 4.32Å; Y167-L171 HydrophobicContact CE1-CD2 4.11Å; Y167-L171 WeakPolarHBondContact O-CB 3.49Å; Y167-L171 PolarHBondContact O-N 2.83Å; R168-L171 PolarHBondContact O-N 3.41Å; A169-L171 PolarHBondContact O-N 3.08Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; L171-I174 PolarHBondContact O-N 3.36Å; L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 3.46Å; L171-R175 VanDerWaalsContact O-N 3.11Å; L171-R175 PolarHBondContact O-NE 3.37Å; L171-V240 HydrophobicContact CD1-CG2 4.19Å; L171-L243 HydrophobicContact CB-CD2 3.96Å; L171-L243 HydrophobicContact CD1-CD2 4.41Å
172S93.1Very high90Very high43 Ų4370.3 Ų70.330%0.30136%0.359SS..Hα-helixtrans-63.3-39.8171.7-168.70000112.1R168 A169 K170 R175 Q176R168-S172 WeakPolarHBondContact O-CB 3.44Å; R168-S172 PolarHBondContact O-N 3.47Å; A169-S172 WeakPolarHBondContact O-CB 3.09Å; A169-S172 PolarHBondContact O-N 3.13Å; K170-S172 VanDerWaalsContact C-N 3.33Å; S172-R175 WeakPolarHBondContact O-CB 3.47Å; S172-R175 PolarHBondContact O-N 3.25Å; S172-Q176 WeakPolarHBondContact O-CG 3.19Å; S172-Q176 PolarHBondContact O-N 2.96Å
173Q96.1Very high91.6Very high113 Ų11371.1 Ų71.153%0.52836%0.36SS..Hα-helixtrans-64.4-45.1176.1-172.7-179.15.800111.8A169 K170 L171 R175 Q176 I177A169-Q173 PolarHBondContact O-N 2.92Å; K170-Q173 WeakPolarHBondContact O-CB 3.32Å; K170-Q173 PolarHBondContact O-N 3.24Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; Q173-R175 VanDerWaalsContact C-N 3.26Å; Q173-R175 PolarHBondContact O-N 2.88Å; Q173-Q176 PolarHBondContact O-N 3.34Å; Q173-I177 HydrophobicContact CG-CD1 3.99Å; Q173-I177 WeakPolarHBondContact O-CG1 3.46Å; Q173-I177 PolarHBondContact O-N 3.42Å
174I95.8Very high92.8Very high28 Ų2872.8 Ų72.814%0.14437%0.366CS..Hα-helixtrans-57.3-42.8175.4-67.9170.4000110.5K170 L171 I177 Y178 T236 A239 V240 L243K170-I174 WeakPolarHBondContact O-CG1 3.38Å; K170-I174 PolarHBondContact O-N 3.44Å; L171-I174 PolarHBondContact O-N 3.36Å; I174-I177 PolarHBondContact O-N 3Å; I174-Y178 WeakPolarHBondContact O-CB 3.4Å; I174-Y178 PolarHBondContact O-N 2.96Å; I174-T236 HydrophobicContact CG2-CG2 3.75Å; I174-A239 HydrophobicContact CD1-CB 4.09Å; I174-A239 HydrophobicContact CG1-CB 4.43Å; I174-V240 HydrophobicContact CD1-CG2 4.34Å; I174-V240 HydrophobicContact CG2-CG2 4.01Å; I174-L243 HydrophobicContact CD1-CB 4.33Å; I174-L243 HydrophobicContact CD1-CD2 3.91Å
175R95.2Very high93.6Very high59 Ų5972.2 Ų72.222%0.22336%0.361CS..Hα-helixtrans-58.3-50.7175.3-78.8-176.3-77.6178.6-1.4112.8G133 V134 L171 S172 Q173 I177 Y178 H179G133-R175 WeakPolarHBondContact O-CD 3.33Å; V134-R175 HydrophobicContact CB-CG 4.19Å; V134-R175 HydrophobicContact CG1-CG 4.02Å; V134-R175 HydrophobicContact CG2-CG 4.31Å; L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 3.46Å; L171-R175 VanDerWaalsContact O-N 3.11Å; L171-R175 PolarHBondContact O-NE 3.37Å; S172-R175 WeakPolarHBondContact O-CB 3.47Å; S172-R175 PolarHBondContact O-N 3.25Å; Q173-R175 VanDerWaalsContact C-N 3.26Å; Q173-R175 PolarHBondContact O-N 2.88Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 2.92Å; R175-Y178 PolarHBondContact O-N 3.06Å; R175-H179 PolarHBondContact O-CD2 2.96Å; R175-H179 PolarHBondContact O-N 3.45Å
176Q95.9Very high94Very high127 Ų12775.6 Ų75.659%0.59337%0.366SS*.Hα-helixtrans-60.6-44.6-179.2-72.3170.31.500111.6S172 Q173 H179 A180S172-Q176 WeakPolarHBondContact O-CG 3.19Å; S172-Q176 PolarHBondContact O-N 2.96Å; Q173-Q176 PolarHBondContact O-N 3.34Å; Q176-H179 PolarHBondContact O-N 2.95Å; Q176-A180 VanDerWaalsContact O-CB 3.25Å; Q176-A180 WeakPolarHBondContact O-CB 3.18Å; Q176-A180 PolarHBondContact O-N 3.36Å
177I96.2Very high94.5Very high84 Ų8476 Ų7643%0.43137%0.368SS..Hα-helixtrans-62.2-48.5178.2-66.1167.8000110.4Q173 I174 R175 H179 A180 E181Q173-I177 HydrophobicContact CG-CD1 3.99Å; Q173-I177 WeakPolarHBondContact O-CG1 3.46Å; Q173-I177 PolarHBondContact O-N 3.42Å; I174-I177 PolarHBondContact O-N 3Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 2.92Å; I177-H179 PolarHBondContact O-N 2.94Å; I177-A180 PolarHBondContact O-N 3.03Å; I177-E181 HydrophobicContact CG2-CG 4.34Å; I177-E181 WeakPolarHBondContact O-CB 3.25Å; I177-E181 WeakPolarHBondContact O-CG 3.39Å; I177-E181 PolarHBondContact O-N 3.37Å
178Y97Very high94.8Very high7 Ų776 Ų763%0.02738%0.377CS..Hα-helixtrans-56-50.3178.8171.3-98.6000112.3L129 V134 T135 I174 R175 E181 L182 L232 K233 T236L129-Y178 HydrophobicContact CD1-CE2 3.89Å; V134-Y178 HydrophobicContact CG1-CD1 4.1Å; V134-Y178 HydrophobicContact CG1-CG 4.18Å; T135-Y178 HydrophobicContact CG2-CD1 3.98Å; T135-Y178 HydrophobicContact CG2-CE1 3.24Å; I174-Y178 WeakPolarHBondContact O-CB 3.4Å; I174-Y178 PolarHBondContact O-N 2.96Å; R175-Y178 PolarHBondContact O-N 3.06Å; Y178-E181 PolarHBondContact O-N 3.26Å; Y178-L182 HydrophobicContact CE1-CD1 3.93Å; Y178-L182 HydrophobicContact CE2-CD1 4.23Å; Y178-L182 VanDerWaalsContact O-CB 3.25Å; Y178-L182 WeakPolarHBondContact O-CB 3.42Å; Y178-L182 PolarHBondContact O-N 2.76Å; Y178-L182 VanDerWaalsContact OH-CD1 3.25Å; Y178-L182 WeakPolarHBondContact OH-CD1 3.43Å; Y178-L232 HydrophobicContact CD2-CD1 4.41Å; Y178-L232 HydrophobicContact CD2-CD2 4.27Å; Y178-L232 HydrophobicContact CD2-CG 3.97Å; Y178-L232 HydrophobicContact CE2-CD2 4.26Å; Y178-L232 HydrophobicContact CE2-CG 4.08Å; Y178-K233 HydrophobicContact CE2-CG 3.84Å; Y178-K233 WeakPolarHBondContact OH-CE 3.25Å; Y178-T236 HydrophobicContact CD2-CG2 3.96Å; Y178-T236 WeakPolarHBondContact CD2-OG1 3.35Å; Y178-T236 HydrophobicContact CG-CG2 4.13Å
179H95.5Very high95.2Very high87 Ų8769.2 Ų69.240%0.40335%0.353SS..Hα-helixtrans-67.1-40.7-178.7-72.7-63000112.2V134 R175 Q176 I177 L182 E183V134-H179 PolarHBondContact O-NE2 3.1Å; R175-H179 PolarHBondContact O-CD2 2.96Å; R175-H179 PolarHBondContact O-N 3.45Å; Q176-H179 PolarHBondContact O-N 2.95Å; I177-H179 PolarHBondContact O-N 2.94Å; H179-L182 PolarHBondContact O-N 3.36Å; H179-E183 WeakPolarHBondContact O-CB 3.44Å; H179-E183 PolarHBondContact O-N 3.26Å
180A96.5Very high95.4Very high58 Ų5870.3 Ų70.348%0.47935%0.351SS..Hα-helixtrans-64.4-41.9177.400000112.4Q176 I177 K184Q176-A180 VanDerWaalsContact O-CB 3.25Å; Q176-A180 WeakPolarHBondContact O-CB 3.18Å; Q176-A180 PolarHBondContact O-N 3.36Å; I177-A180 PolarHBondContact O-N 3.03Å; A180-K184 WeakPolarHBondContact O-CB 3.26Å; A180-K184 PolarHBondContact O-N 2.9Å; A180-K184 VanDerWaalsContact O-N 3.13Å
181E96.3Very high95.5Very high69 Ų6973.2 Ų73.232%0.32237%0.366SS..Hα-helixtrans-68.8-42.8176.5-71.9-163.9152.400111.6I177 Y178 E183 K184 Y185 L232I177-E181 HydrophobicContact CG2-CG 4.34Å; I177-E181 WeakPolarHBondContact O-CB 3.25Å; I177-E181 WeakPolarHBondContact O-CG 3.39Å; I177-E181 PolarHBondContact O-N 3.37Å; Y178-E181 PolarHBondContact O-N 3.26Å; E181-E183 PolarHBondContact O-N 2.91Å; E181-K184 WeakPolarHBondContact O-CB 3.32Å; E181-K184 PolarHBondContact O-N 3.18Å; E181-Y185 HydrophobicContact CB-CD2 4.43Å; E181-Y185 HydrophobicContact CB-CE2 4.11Å; E181-Y185 WeakPolarHBondContact O-CD2 3.4Å; E181-Y185 PolarHBondContact O-N 2.93Å; E181-L232 HydrophobicContact CB-CD1 3.94Å; E181-L232 HydrophobicContact CB-CD2 4.03Å; E181-L232 WeakPolarHBondContact OE2-CD1 3.5Å
182L94Very high95.8Very high52 Ų5277.2 Ų77.227%0.27238%0.383SS..Hα-helixtrans-60-44.9177.3-173147.9000111.6Y178 H179 Y185 K186 L232Y178-L182 HydrophobicContact CE1-CD1 3.93Å; Y178-L182 HydrophobicContact CE2-CD1 4.23Å; Y178-L182 VanDerWaalsContact O-CB 3.25Å; Y178-L182 WeakPolarHBondContact O-CB 3.42Å; Y178-L182 PolarHBondContact O-N 2.76Å; Y178-L182 VanDerWaalsContact OH-CD1 3.25Å; Y178-L182 WeakPolarHBondContact OH-CD1 3.43Å; H179-L182 PolarHBondContact O-N 3.36Å; L182-Y185 PolarHBondContact O-N 3.49Å; L182-K186 WeakPolarHBondContact O-CB 3.46Å; L182-K186 PolarHBondContact O-N 3.01Å; L182-L232 HydrophobicContact CB-CD2 3.92Å
183E95.3Very high96Very high118 Ų11875.5 Ų75.555%0.55137%0.37SS*.Hα-helixtrans-61.2-45.1176.7-172.5-177.2175.600111.5H179 E181 Y185 K186 N187H179-E183 WeakPolarHBondContact O-CB 3.44Å; H179-E183 PolarHBondContact O-N 3.26Å; E181-E183 PolarHBondContact O-N 2.91Å; E183-Y185 PolarHBondContact O-N 2.68Å; E183-K186 PolarHBondContact O-N 3.28Å; E183-N187 WeakPolarHBondContact O-CB 3.41Å; E183-N187 VanDerWaalsContact O-CG 3.26Å; E183-N187 PolarHBondContact O-N 3.14Å; E183-N187 PolarHBondContact O-ND2 3.11Å
184K95.6Very high96Very high105 Ų10571.3 Ų71.346%0.45736%0.357SS..Hα-helixtrans-58.9-44.7176.5178.9-176.8173.3-171.40112.2M1 A180 E181 A188M1-K184 PolarHBondContact SD-NZ 3.32Å; A180-K184 WeakPolarHBondContact O-CB 3.26Å; A180-K184 PolarHBondContact O-N 2.9Å; A180-K184 VanDerWaalsContact O-N 3.13Å; E181-K184 WeakPolarHBondContact O-CB 3.32Å; E181-K184 PolarHBondContact O-N 3.18Å; K184-A188 WeakPolarHBondContact O-CB 3.23Å; K184-A188 PolarHBondContact O-N 3.35Å
185Y94.6Very high96.1Very high71 Ų7175.5 Ų75.528%0.27838%0.376SS..Hα-helixtrans-67.7-38.4177.6-70.1-59.3000112.2E181 L182 E183 A188 C189 F225 I228 L232E181-Y185 HydrophobicContact CB-CD2 4.43Å; E181-Y185 HydrophobicContact CB-CE2 4.11Å; E181-Y185 WeakPolarHBondContact O-CD2 3.4Å; E181-Y185 PolarHBondContact O-N 2.93Å; L182-Y185 PolarHBondContact O-N 3.49Å; E183-Y185 PolarHBondContact O-N 2.68Å; Y185-A188 PolarHBondContact O-N 2.97Å; Y185-C189 WeakPolarHBondContact O-CB 3.42Å; Y185-C189 PolarHBondContact O-N 2.91Å; Y185-F225 WeakPolarHBondContact O-CE1 3.33Å; Y185-I228 HydrophobicContact CD1-CG2 3.73Å; Y185-I228 HydrophobicContact CD2-CG2 4.14Å; Y185-I228 HydrophobicContact CE1-CG2 3.64Å; Y185-I228 HydrophobicContact CE2-CG2 4.08Å; Y185-I228 HydrophobicContact CG-CG2 3.99Å; Y185-L232 HydrophobicContact CD2-CD2 4.07Å; Y185-L232 HydrophobicContact CE2-CD2 4.26Å
186K94.7Very high96.2Very high126 Ų12673.7 Ų73.755%0.54837%0.372SS..Hα-helixtrans-61.9-50.5175.3-178.3177.5176.3173.80111.5L182 E183 A188 C189 D190L182-K186 WeakPolarHBondContact O-CB 3.46Å; L182-K186 PolarHBondContact O-N 3.01Å; E183-K186 PolarHBondContact O-N 3.28Å; K186-A188 VanDerWaalsContact C-N 3.31Å; K186-A188 PolarHBondContact O-N 3.44Å; K186-C189 WeakPolarHBondContact O-CB 3.47Å; K186-C189 PolarHBondContact O-N 2.98Å; K186-C189 VanDerWaalsContact O-N 3.08Å; K186-D190 PolarHBondContact O-N 3.48Å
187N96.7Very high96.2Very high84 Ų8469.6 Ų69.645%0.44935%0.353SS..Hα-helixtrans-59.3-42.7178.3-68.7-15.7000111.4E183 C189 D190 E191E183-N187 WeakPolarHBondContact O-CB 3.41Å; E183-N187 VanDerWaalsContact O-CG 3.26Å; E183-N187 PolarHBondContact O-N 3.14Å; E183-N187 PolarHBondContact O-ND2 3.11Å; N187-C189 VanDerWaalsContact C-N 3.34Å; N187-C189 PolarHBondContact O-N 3.12Å; N187-D190 PolarHBondContact O-N 2.95Å; N187-E191 WeakPolarHBondContact O-CB 3.34Å; N187-E191 PolarHBondContact O-N 2.71Å
188A95.7Very high96.2Very high41 Ų4170.4 Ų70.434%0.33936%0.359SS..Hα-helixtrans-64.4-36.3175.700000112.9K184 Y185 K186 F192 F225K184-A188 WeakPolarHBondContact O-CB 3.23Å; K184-A188 PolarHBondContact O-N 3.35Å; Y185-A188 PolarHBondContact O-N 2.97Å; K186-A188 VanDerWaalsContact C-N 3.31Å; K186-A188 PolarHBondContact O-N 3.44Å; A188-F192 WeakPolarHBondContact O-CB 3.25Å; A188-F192 PolarHBondContact O-N 3.01Å; A188-F225 HydrophobicContact CB-CE1 4.26Å; A188-F225 HydrophobicContact CB-CZ 4.44Å
189C96.2Very high96.2Very high13 Ų1374.2 Ų74.29%0.08838%0.379CS..Hα-helixtrans-65-46.9174.8-170.60000111.1Y185 K186 N187 F192 T193 F225Y185-C189 WeakPolarHBondContact O-CB 3.42Å; Y185-C189 PolarHBondContact O-N 2.91Å; K186-C189 WeakPolarHBondContact O-CB 3.47Å; K186-C189 PolarHBondContact O-N 2.98Å; K186-C189 VanDerWaalsContact O-N 3.08Å; N187-C189 VanDerWaalsContact C-N 3.34Å; N187-C189 PolarHBondContact O-N 3.12Å; C189-F192 PolarHBondContact O-N 3.09Å; C189-T193 VanDerWaalsContact O-CB 3.32Å; C189-T193 WeakPolarHBondContact O-CB 3.25Å; C189-T193 VanDerWaalsContact O-CG2 3.25Å; C189-T193 WeakPolarHBondContact O-CG2 2.96Å; C189-T193 PolarHBondContact O-N 3.35Å; C189-T193 PolarHBondContact O-OG1 3.05Å; C189-F225 VanDerWaalsContact CA-CZ 3.48Å; C189-F225 HydrophobicContact CB-CB 4.43Å; C189-F225 HydrophobicContact CB-CD1 3.54Å; C189-F225 HydrophobicContact CB-CD2 4Å; C189-F225 HydrophobicContact CB-CE1 3.62Å; C189-F225 HydrophobicContact CB-CE2 4.08Å; C189-F225 HydrophobicContact CB-CG 3.73Å; C189-F225 HydrophobicContact CB-CZ 3.89Å; C189-F225 VanDerWaalsContact SG-CG 3.57Å
190D96.5Very high96.2Very high81 Ų8171.4 Ų71.443%0.43337%0.366SS..Hα-helixtrans-66.1-43-179-69.6-23.2000111.3K186 N187 T193 G194K186-D190 PolarHBondContact O-N 3.48Å; N187-D190 PolarHBondContact O-N 2.95Å; D190-T193 PolarHBondContact O-OG1 3.39Å; D190-G194 PolarHBondContact O-N 3.48Å
191E97.1Very high96.1Very high154 Ų15475.9 Ų75.972%0.7237%0.371SS*.Hα-helixtrans-61.8-49.1175.1-174.1-176170.800111.6N187 G194 H195N187-E191 WeakPolarHBondContact O-CB 3.34Å; N187-E191 PolarHBondContact O-N 2.71Å; E191-G194 PolarHBondContact O-N 3.11Å; E191-H195 WeakPolarHBondContact O-CB 3.21Å; E191-H195 PolarHBondContact O-N 2.84Å
192F97Very high95.9Very high102 Ų10277 Ų7745%0.44738%0.376SS..Hα-helixtrans-68.6-42.8-177.1-175.4-114.7000112.2A188 C189 G194 H195 V196 I221 F225A188-F192 WeakPolarHBondContact O-CB 3.25Å; A188-F192 PolarHBondContact O-N 3.01Å; C189-F192 PolarHBondContact O-N 3.09Å; F192-G194 VanDerWaalsContact C-N 3.35Å; F192-H195 PolarHBondContact O-N 3.37Å; F192-V196 HydrophobicContact CE1-CG2 4.25Å; F192-V196 HydrophobicContact CE2-CG2 4.29Å; F192-V196 HydrophobicContact CZ-CG2 4.08Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 3.3Å; F192-I221 HydrophobicContact CD1-CD1 4.01Å; F192-I221 HydrophobicContact CD1-CG1 4.34Å; F192-I221 HydrophobicContact CD1-CG2 3.55Å; F192-I221 HydrophobicContact CE1-CD1 3.6Å; F192-I221 HydrophobicContact CE1-CG1 3.84Å; F192-I221 HydrophobicContact CE1-CG2 3.86Å; F192-I221 HydrophobicContact CZ-CD1 4.47Å; F192-F225 HydrophobicContact CD1-CE2 4.41Å
193T97.1Very high95.8Very high6 Ų677.3 Ų77.34%0.03738%0.376CS..Hα-helixtrans-65.4-39.6174.955.40000111.4C189 D190 H195 V196 I197 V218 I221 R222C189-T193 VanDerWaalsContact O-CB 3.32Å; C189-T193 WeakPolarHBondContact O-CB 3.25Å; C189-T193 VanDerWaalsContact O-CG2 3.25Å; C189-T193 WeakPolarHBondContact O-CG2 2.96Å; C189-T193 PolarHBondContact O-N 3.35Å; C189-T193 PolarHBondContact O-OG1 3.05Å; D190-T193 PolarHBondContact O-OG1 3.39Å; T193-H195 PolarHBondContact O-N 3.01Å; T193-V196 PolarHBondContact O-N 3.04Å; T193-I197 WeakPolarHBondContact O-CB 3.31Å; T193-I197 WeakPolarHBondContact O-CD1 3.38Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.92Å; T193-V218 HydrophobicContact CG2-CG1 4.01Å; T193-I221 HydrophobicContact CG2-CB 4.24Å; T193-I221 HydrophobicContact CG2-CG2 3.66Å; T193-R222 HydrophobicContact CG2-CG 4.41Å
194G97.4Very high95.6Very high25 Ų2573.1 Ų73.126%0.25836%0.36SS..Hα-helixtrans-58.8-45.3172.200000112.5D190 E191 F192 I197 N198D190-G194 PolarHBondContact O-N 3.48Å; E191-G194 PolarHBondContact O-N 3.11Å; F192-G194 VanDerWaalsContact C-N 3.35Å; G194-I197 PolarHBondContact O-N 3.43Å; G194-N198 WeakPolarHBondContact O-CB 3.05Å; G194-N198 VanDerWaalsContact O-CG 3.3Å; G194-N198 PolarHBondContact O-N 3.34Å; G194-N198 PolarHBondContact O-ND2 3.29Å
195H97.2Very high95.1Very high116 Ų11675.2 Ų75.254%0.53737%0.365SS..Hα-helixtrans-60.4-46.8175.3-175.977.8000112E191 F192 T193 N198 L199E191-H195 WeakPolarHBondContact O-CB 3.21Å; E191-H195 PolarHBondContact O-N 2.84Å; F192-H195 PolarHBondContact O-N 3.37Å; T193-H195 PolarHBondContact O-N 3.01Å; H195-N198 PolarHBondContact O-N 2.96Å; H195-L199 WeakPolarHBondContact O-CB 3.46Å; H195-L199 PolarHBondContact O-N 3.25Å
196V96.6Very high94.7Very high22 Ų2276.1 Ų76.113%0.13338%0.381CS..Hα-helixtrans-64.1-41.8179169.80000111.7F192 T193 L199 L200 I221F192-V196 HydrophobicContact CE1-CG2 4.25Å; F192-V196 HydrophobicContact CE2-CG2 4.29Å; F192-V196 HydrophobicContact CZ-CG2 4.08Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 3.3Å; T193-V196 PolarHBondContact O-N 3.04Å; V196-L199 PolarHBondContact O-N 3.42Å; V196-L200 HydrophobicContact CG1-CD1 3.84Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; V196-L200 WeakPolarHBondContact O-CB 3.33Å; V196-L200 VanDerWaalsContact O-CG 3.31Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 2.93Å; V196-I221 HydrophobicContact CB-CD1 4.1Å; V196-I221 HydrophobicContact CG1-CD1 4Å; V196-I221 HydrophobicContact CG2-CD1 3.76Å
197I96.7Very high94.3Very high41 Ų4175.8 Ų75.821%0.2138%0.377CS..Hα-helixtrans-61.1-48175.8-70.2164.3000110.4T193 G194 L200 R201 I214 V218T193-I197 WeakPolarHBondContact O-CB 3.31Å; T193-I197 WeakPolarHBondContact O-CD1 3.38Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.92Å; G194-I197 PolarHBondContact O-N 3.43Å; I197-L200 PolarHBondContact O-N 3.45Å; I197-R201 HydrophobicContact CG2-CG 4.39Å; I197-R201 WeakPolarHBondContact O-CB 3.35Å; I197-R201 VanDerWaalsContact O-CG 3.26Å; I197-R201 WeakPolarHBondContact O-CG 3.46Å; I197-R201 PolarHBondContact O-N 3.42Å; I197-I214 HydrophobicContact CG1-CG2 4.05Å; I197-V218 HydrophobicContact CD1-CG2 3.87Å; I197-V218 HydrophobicContact CG1-CG2 3.54Å
198N97.1Very high93.9Very high101 Ų10173.7 Ų73.754%0.5437%0.368SS..Hα-helixtrans-62.9-44179.3-72.9-24000111.7G194 H195 R201 E202G194-N198 WeakPolarHBondContact O-CB 3.05Å; G194-N198 VanDerWaalsContact O-CG 3.3Å; G194-N198 PolarHBondContact O-N 3.34Å; G194-N198 PolarHBondContact O-ND2 3.29Å; H195-N198 PolarHBondContact O-N 2.96Å; N198-R201 PolarHBondContact O-N 3.43Å; N198-E202 PolarHBondContact O-N 3.35Å
199L96.8Very high93.7Very high86 Ų8671.9 Ų71.945%0.4535%0.353SS..Hα-helixtrans-58.8-50.3175.9178.763.7000111.1H195 V196 R201 E202 Q203H195-L199 WeakPolarHBondContact O-CB 3.46Å; H195-L199 PolarHBondContact O-N 3.25Å; V196-L199 PolarHBondContact O-N 3.42Å; L199-R201 PolarHBondContact O-N 3.4Å; L199-E202 PolarHBondContact O-N 2.9Å; L199-Q203 HydrophobicContact CD1-CG 4.37Å; L199-Q203 WeakPolarHBondContact O-CG 3.45Å; L199-Q203 PolarHBondContact O-N 3.17Å
200L95.2Very high93.3Very high28 Ų2871.4 Ų71.415%0.14735%0.349CS..Hα-helixtrans-66.4-36.1-179.1-69.4174.2000112.3V196 I197 Q203 S204 I209 I214 M217V196-L200 HydrophobicContact CG1-CD1 3.84Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; V196-L200 WeakPolarHBondContact O-CB 3.33Å; V196-L200 VanDerWaalsContact O-CG 3.31Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 2.93Å; I197-L200 PolarHBondContact O-N 3.45Å; L200-Q203 PolarHBondContact O-N 3.22Å; L200-S204 WeakPolarHBondContact O-CB 3.42Å; L200-S204 PolarHBondContact O-N 3.47Å; L200-I209 HydrophobicContact CD2-CD1 4.27Å; L200-I214 HydrophobicContact CB-CD1 4.09Å; L200-I214 HydrophobicContact CB-CG1 3.91Å; L200-I214 HydrophobicContact CB-CG2 4.48Å; L200-I214 HydrophobicContact CD1-CB 4.33Å; L200-I214 HydrophobicContact CD1-CG1 4.17Å; L200-I214 HydrophobicContact CD1-CG2 4.16Å; L200-M217 HydrophobicContact CD1-CB 4.03Å; L200-M217 HydrophobicContact CD1-CG 4.06Å
201R93.9Very high92.9Very high152 Ų15271.9 Ų71.957%0.57436%0.357SS*.Hα-helixtrans-65.6-35.6172.5-75.1176.2176.2178.7-0.9112.9I197 N198 L199 S204 I214I197-R201 HydrophobicContact CG2-CG 4.39Å; I197-R201 WeakPolarHBondContact O-CB 3.35Å; I197-R201 VanDerWaalsContact O-CG 3.26Å; I197-R201 WeakPolarHBondContact O-CG 3.46Å; I197-R201 PolarHBondContact O-N 3.42Å; N198-R201 PolarHBondContact O-N 3.43Å; L199-R201 PolarHBondContact O-N 3.4Å; R201-S204 PolarHBondContact O-N 3.37Å; R201-S204 PolarHBondContact O-OG 3.03Å; R201-I214 HydrophobicContact CG-CD1 4.15Å
202E92.2Very high92.3Very high93 Ų9366.7 Ų66.744%0.43534%0.34SS..Hα-helixtrans-69.3-43.1174.8-170.458.8-14500110.7N198 L199 S204 R205N198-E202 PolarHBondContact O-N 3.35Å; L199-E202 PolarHBondContact O-N 2.9Å; E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å; E202-R205 VanDerWaalsContact O-CB 3.32Å; E202-R205 WeakPolarHBondContact O-CB 3.3Å; E202-R205 WeakPolarHBondContact O-CG 3.36Å; E202-R205 PolarHBondContact O-N 2.87Å; E202-R205 WeakPolarHBondContact OE1-CD 3.4Å; E202-R205 IonicContact OE1-CZ 3.53Å; E202-R205 IonicContact OE1-NE 3.77Å; E202-R205 IonicContact OE1-NH1 2.78Å; E202-R205 PolarHBondContact OE1-NH1 3.45Å; E202-R205 IonicContact OE2-CZ 3Å; E202-R205 IonicContact OE2-NE 3.46Å; E202-R205 PolarHBondContact OE2-NE 3.05Å; E202-R205 IonicContact OE2-NH1 2.8Å; E202-R205 PolarHBondContact OE2-NH1 3.46Å; E202-R205 IonicContact OE2-NH2 3.5Å
203Q92.6Very high91.8Very high59 Ų5963.4 Ų63.428%0.27633%0.326SS..Hα-helixtrans-65.8-28.8176.2-63.5-67-52.100112.4L199 L200 R205 S206 R207 I209L199-Q203 HydrophobicContact CD1-CG 4.37Å; L199-Q203 WeakPolarHBondContact O-CG 3.45Å; L199-Q203 PolarHBondContact O-N 3.17Å; L200-Q203 PolarHBondContact O-N 3.22Å; Q203-R205 PolarHBondContact O-N 3.11Å; Q203-R205 VanDerWaalsContact O-N 3.1Å; Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 VanDerWaalsContact O-N 3.13Å; Q203-S206 PolarHBondContact O-OG 3.35Å; Q203-R207 WeakPolarHBondContact O-CG 3.42Å; Q203-R207 PolarHBondContact O-N 2.85Å; Q203-R207 VanDerWaalsContact O-N 3.1Å; Q203-R207 VanDerWaalsContact OE1-CZ 3.26Å; Q203-I209 HydrophobicContact CB-CD1 3.6Å
204S90.6Very high91.5Very high29 Ų2964.1 Ų64.120%0.20333%0.33CS..THydrogen-bonded Turntrans-65.6-11.4176.985.90000112.7Y89 L200 R201 E202 R207Y89-S204 WeakPolarHBondContact CE2-O 3.5Å; Y89-S204 WeakPolarHBondContact OH-CB 3.41Å; L200-S204 WeakPolarHBondContact O-CB 3.42Å; L200-S204 PolarHBondContact O-N 3.47Å; R201-S204 PolarHBondContact O-N 3.37Å; R201-S204 PolarHBondContact O-OG 3.03Å; E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å; S204-R207 CarbonylContact C-O 3.42Å; S204-R207 VanDerWaalsContact CA-O 3.31Å; S204-R207 WeakPolarHBondContact CA-O 3.31Å
205R86.1Confident91.2Very high150 Ų15069.7 Ų69.757%0.56635%0.349SS*.THydrogen-bonded Turntrans-75.5-30173.8-62.2177.3177.8174.4-1.7113.2K85 E202 Q203K85-R205 PolarHBondContact NZ-O 3.47Å; E202-R205 VanDerWaalsContact O-CB 3.32Å; E202-R205 WeakPolarHBondContact O-CB 3.3Å; E202-R205 WeakPolarHBondContact O-CG 3.36Å; E202-R205 PolarHBondContact O-N 2.87Å; E202-R205 WeakPolarHBondContact OE1-CD 3.4Å; E202-R205 IonicContact OE1-CZ 3.53Å; E202-R205 IonicContact OE1-NE 3.77Å; E202-R205 IonicContact OE1-NH1 2.78Å; E202-R205 PolarHBondContact OE1-NH1 3.45Å; E202-R205 IonicContact OE2-CZ 3Å; E202-R205 IonicContact OE2-NE 3.46Å; E202-R205 PolarHBondContact OE2-NE 3.05Å; E202-R205 IonicContact OE2-NH1 2.8Å; E202-R205 PolarHBondContact OE2-NH1 3.46Å; E202-R205 IonicContact OE2-NH2 3.5Å; Q203-R205 PolarHBondContact O-N 3.11Å; Q203-R205 VanDerWaalsContact O-N 3.1Å
206S84.6Confident90.7Very high89 Ų8964.7 Ų64.762%0.62233%0.326SS*.THydrogen-bonded Turntrans-109.2-18.8-174.759.10000113.8Q203Q203-S206 PolarHBondContact O-N 3.02Å; Q203-S206 VanDerWaalsContact O-N 3.13Å; Q203-S206 PolarHBondContact O-OG 3.35Å
207R88.1Confident90.4Very high119 Ų11966.3 Ų66.345%0.44933%0.333SS..SBendtrans-144.2153.4175.162.3167.4-177.8-93.8-3.3111.7Q203 S204 I209Q203-R207 WeakPolarHBondContact O-CG 3.42Å; Q203-R207 PolarHBondContact O-N 2.85Å; Q203-R207 VanDerWaalsContact O-N 3.1Å; Q203-R207 VanDerWaalsContact OE1-CZ 3.26Å; S204-R207 CarbonylContact C-O 3.42Å; S204-R207 VanDerWaalsContact CA-O 3.31Å; S204-R207 WeakPolarHBondContact CA-O 3.31Å; R207-I209 HydrophobicContact CG-CD1 4.24Å; R207-I209 HydrophobicContact CG-CG1 4.19Å; R207-I209 PolarHBondContact O-N 3.18Å
208P88.4Confident90.2Very high40 Ų4064.9 Ų64.926%0.2633%0.326SS..  trans-65.8118177.926.2-34.2000112Y89 F92 K96Y89-P208 HydrophobicContact CE2-CB 4.38Å; F92-P208 HydrophobicContact CB-CB 3.83Å; F92-P208 HydrophobicContact CB-CG 3.82Å; K96-P208 PolarHBondContact NZ-O 3.48Å
209I90.1Very high89.8Confident4 Ų461.3 Ų61.32%0.02131%0.313CS..  trans-133.2113.9172.9-58.9178000107.2Y89 L200 Q203 R207 E213 I214Y89-I209 PolarHBondContact OH-N 3.13Å; Y89-I209 VanDerWaalsContact OH-N 3.16Å; Y89-I209 PolarHBondContact OH-O 3.4Å; L200-I209 HydrophobicContact CD2-CD1 4.27Å; Q203-I209 HydrophobicContact CB-CD1 3.6Å; R207-I209 HydrophobicContact CG-CD1 4.24Å; R207-I209 HydrophobicContact CG-CG1 4.19Å; R207-I209 PolarHBondContact O-N 3.18Å; I209-E213 HydrophobicContact CG2-CB 4.42Å; I209-E213 HydrophobicContact CG2-CG 4.46Å; I209-I214 HydrophobicContact CG2-CD1 4.31Å; I209-I214 HydrophobicContact CG2-CG1 3.82Å
210S87.6Confident89.5Confident2 Ų259.8 Ų59.81%0.01431%0.305CS..  trans-75.7151.7-179.269.40000111E97 A212 E213 I214E97-S210 WeakPolarHBondContact OE1-CB 3.37Å; E97-S210 PolarHBondContact OE1-OG 3.46Å; S210-A212 PolarHBondContact O-N 3.12Å; S210-E213 WeakPolarHBondContact O-CB 3.36Å; S210-E213 PolarHBondContact O-N 2.95Å; S210-E213 PolarHBondContact OG-N 2.89Å; S210-I214 PolarHBondContact O-N 3.02Å
211P88Confident89.3Confident91 Ų9159.5 Ų59.559%0.59130%0.303SS*.Hα-helixtrans-54.5-38.4173.5-26.635.5000112.8E213 I214 E215P211-E213 VanDerWaalsContact C-N 3.3Å; P211-E213 PolarHBondContact O-N 3.25Å; P211-I214 WeakPolarHBondContact O-CB 3.43Å; P211-I214 PolarHBondContact O-N 3.35Å; P211-I214 VanDerWaalsContact O-N 3.1Å; P211-E215 PolarHBondContact O-N 3.42Å
212A86.1Confident89.2Confident45 Ų4558.8 Ų58.837%0.37230%0.301SS..Hα-helixtrans-60.3-36.9176.100000112.7S210 E215 L216S210-A212 PolarHBondContact O-N 3.12Å; A212-E215 PolarHBondContact O-N 3.46Å; A212-L216 WeakPolarHBondContact O-CB 3.38Å; A212-L216 PolarHBondContact O-N 2.96Å
213E86.1Confident89Confident34 Ų3458.1 Ų58.116%0.15929%0.294CS..Hα-helixtrans-67.1-37.3174.8-175.3178.5-168.900112.1K96 L101 I209 S210 P211 L216 M217K96-E213 WeakPolarHBondContact CE-OE2 3.45Å; K96-E213 IonicContact NZ-OE1 3.55Å; K96-E213 PolarHBondContact NZ-OE1 3.31Å; K96-E213 IonicContact NZ-OE2 3.49Å; K96-E213 PolarHBondContact NZ-OE2 3.22Å; L101-E213 HydrophobicContact CD2-CB 4.27Å; L101-E213 HydrophobicContact CD2-CG 4.36Å; I209-E213 HydrophobicContact CG2-CB 4.42Å; I209-E213 HydrophobicContact CG2-CG 4.46Å; S210-E213 WeakPolarHBondContact O-CB 3.36Å; S210-E213 PolarHBondContact O-N 2.95Å; S210-E213 PolarHBondContact OG-N 2.89Å; P211-E213 VanDerWaalsContact C-N 3.3Å; P211-E213 PolarHBondContact O-N 3.25Å; E213-L216 PolarHBondContact O-N 3.27Å; E213-M217 WeakPolarHBondContact O-CG 3.09Å; E213-M217 PolarHBondContact O-N 3.05Å; E213-M217 VanDerWaalsContact O-N 3.09Å
214I91Very high88.9Confident21 Ų2162.4 Ų62.411%0.10831%0.312CS..Hα-helixtrans-63.4-47.3174.7-57.8-178.7000109.8I197 L200 R201 I209 S210 P211 L216 M217 V218I197-I214 HydrophobicContact CG1-CG2 4.05Å; L200-I214 HydrophobicContact CB-CD1 4.09Å; L200-I214 HydrophobicContact CB-CG1 3.91Å; L200-I214 HydrophobicContact CB-CG2 4.48Å; L200-I214 HydrophobicContact CD1-CB 4.33Å; L200-I214 HydrophobicContact CD1-CG1 4.17Å; L200-I214 HydrophobicContact CD1-CG2 4.16Å; R201-I214 HydrophobicContact CG-CD1 4.15Å; I209-I214 HydrophobicContact CG2-CD1 4.31Å; I209-I214 HydrophobicContact CG2-CG1 3.82Å; S210-I214 PolarHBondContact O-N 3.02Å; P211-I214 WeakPolarHBondContact O-CB 3.43Å; P211-I214 PolarHBondContact O-N 3.35Å; P211-I214 VanDerWaalsContact O-N 3.1Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.01Å; I214-M217 PolarHBondContact O-N 3.33Å; I214-V218 WeakPolarHBondContact O-CG2 3.13Å; I214-V218 PolarHBondContact O-N 2.95Å
215E90.2Very high89Confident141 Ų14163 Ų6366%0.65931%0.311SS*.Hα-helixtrans-60.5-42177.7-71.7174.6-174.300111.9P211 A212 M217 V218 G219P211-E215 PolarHBondContact O-N 3.42Å; A212-E215 PolarHBondContact O-N 3.46Å; E215-M217 PolarHBondContact O-N 3.46Å; E215-V218 PolarHBondContact O-N 3.11Å; E215-G219 PolarHBondContact O-N 3.49Å
216L87.4Confident89.1Confident12 Ų1262 Ų626%0.06331%0.307CS..Hα-helixtrans-58.1-47.5175.1-172.675.3000111.7L101 N105 V108 A212 E213 I214 V218 G219 I220L101-L216 HydrophobicContact CD2-CD2 4.41Å; N105-L216 WeakPolarHBondContact OD1-CD2 3.42Å; V108-L216 HydrophobicContact CB-CD1 3.83Å; V108-L216 HydrophobicContact CG1-CD1 3.47Å; V108-L216 VanDerWaalsContact CG1-CD1 3.47Å; V108-L216 HydrophobicContact CG1-CG 4.5Å; V108-L216 HydrophobicContact CG2-CD1 4.28Å; A212-L216 WeakPolarHBondContact O-CB 3.38Å; A212-L216 PolarHBondContact O-N 2.96Å; E213-L216 PolarHBondContact O-N 3.27Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 3.01Å; L216-V218 PolarHBondContact O-N 3.41Å; L216-G219 PolarHBondContact O-N 3.11Å; L216-I220 WeakPolarHBondContact O-CG1 3.39Å; L216-I220 PolarHBondContact O-N 3.49Å
217M89.3Confident89.4Confident56 Ų5660.2 Ų60.228%0.27630%0.298SS..Hα-helixtrans-62.6-43178.6-68.1-58103.600111.6L200 E213 I214 E215 G219 I220 I221L200-M217 HydrophobicContact CD1-CB 4.03Å; L200-M217 HydrophobicContact CD1-CG 4.06Å; E213-M217 WeakPolarHBondContact O-CG 3.09Å; E213-M217 PolarHBondContact O-N 3.05Å; E213-M217 VanDerWaalsContact O-N 3.09Å; I214-M217 PolarHBondContact O-N 3.33Å; E215-M217 PolarHBondContact O-N 3.46Å; M217-G219 VanDerWaalsContact C-N 3.32Å; M217-G219 PolarHBondContact O-N 3.3Å; M217-I220 HydrophobicContact CE-CD1 3.67Å; M217-I220 PolarHBondContact O-N 3.43Å; M217-I220 HydrophobicContact SD-CD1 4.4Å; M217-I221 WeakPolarHBondContact O-CG1 3.36Å; M217-I221 PolarHBondContact O-N 3.19Å
218V92.8Very high89.6Confident10 Ų1057.1 Ų57.16%0.06129%0.29CS..Hα-helixtrans-63.2-39.6174.6172.30000111.2T193 I197 I214 E215 L216 I221 R222T193-V218 HydrophobicContact CG2-CG1 4.01Å; I197-V218 HydrophobicContact CD1-CG2 3.87Å; I197-V218 HydrophobicContact CG1-CG2 3.54Å; I214-V218 WeakPolarHBondContact O-CG2 3.13Å; I214-V218 PolarHBondContact O-N 2.95Å; E215-V218 PolarHBondContact O-N 3.11Å; L216-V218 PolarHBondContact O-N 3.41Å; V218-I221 PolarHBondContact O-N 3.3Å; V218-R222 HydrophobicContact CG1-CG 4.32Å; V218-R222 WeakPolarHBondContact O-CB 3.44Å; V218-R222 WeakPolarHBondContact O-CG 3.43Å; V218-R222 PolarHBondContact O-N 2.73Å
219G90Very high89.7Confident27 Ų2758.4 Ų58.428%0.27829%0.292SS..Hα-helixtrans-60.3-44.1175.900000112.8E215 L216 M217 I221 R222 R223E215-G219 PolarHBondContact O-N 3.49Å; L216-G219 PolarHBondContact O-N 3.11Å; M217-G219 VanDerWaalsContact C-N 3.32Å; M217-G219 PolarHBondContact O-N 3.3Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.19Å; G219-R222 PolarHBondContact O-N 3.32Å; G219-R223 WeakPolarHBondContact O-CB 3.37Å; G219-R223 PolarHBondContact O-N 3.39Å
220I89.3Confident89.8Confident53 Ų5358.9 Ų58.927%0.27230%0.295SS..Hα-helixtrans-60.5-43.4175.4-67.1166.1000111L216 M217 R223 K224L216-I220 WeakPolarHBondContact O-CG1 3.39Å; L216-I220 PolarHBondContact O-N 3.49Å; M217-I220 HydrophobicContact CE-CD1 3.67Å; M217-I220 PolarHBondContact O-N 3.43Å; M217-I220 HydrophobicContact SD-CD1 4.4Å; I220-R223 PolarHBondContact O-N 2.93Å; I220-K224 PolarHBondContact O-N 2.98Å
221I91.8Very high90.2Very high22 Ų2265.1 Ų65.111%0.11332%0.324CS..Hα-helixtrans-63.5-51.1178.1-66.9166.9000110.1F192 T193 V196 M217 V218 G219 R223 K224 F225F192-I221 HydrophobicContact CD1-CD1 4.01Å; F192-I221 HydrophobicContact CD1-CG1 4.34Å; F192-I221 HydrophobicContact CD1-CG2 3.55Å; F192-I221 HydrophobicContact CE1-CD1 3.6Å; F192-I221 HydrophobicContact CE1-CG1 3.84Å; F192-I221 HydrophobicContact CE1-CG2 3.86Å; F192-I221 HydrophobicContact CZ-CD1 4.47Å; T193-I221 HydrophobicContact CG2-CB 4.24Å; T193-I221 HydrophobicContact CG2-CG2 3.66Å; V196-I221 HydrophobicContact CB-CD1 4.1Å; V196-I221 HydrophobicContact CG1-CD1 4Å; V196-I221 HydrophobicContact CG2-CD1 3.76Å; M217-I221 WeakPolarHBondContact O-CG1 3.36Å; M217-I221 PolarHBondContact O-N 3.19Å; V218-I221 PolarHBondContact O-N 3.3Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.19Å; I221-R223 PolarHBondContact O-N 3.2Å; I221-K224 WeakPolarHBondContact O-CB 3.45Å; I221-K224 PolarHBondContact O-N 2.95Å; I221-F225 HydrophobicContact CG2-CD2 3.86Å; I221-F225 HydrophobicContact CG2-CE2 3.88Å; I221-F225 WeakPolarHBondContact O-CD2 3.4Å; I221-F225 PolarHBondContact O-N 3.47Å
222R91.8Very high90.5Very high138 Ų13861.1 Ų61.152%0.52130%0.298SS..Hα-helixtrans-57.8-37.1178.3-74.6178.5173.7174.4-1.5112T193 V218 G219 K224 F225 R226T193-R222 HydrophobicContact CG2-CG 4.41Å; V218-R222 HydrophobicContact CG1-CG 4.32Å; V218-R222 WeakPolarHBondContact O-CB 3.44Å; V218-R222 WeakPolarHBondContact O-CG 3.43Å; V218-R222 PolarHBondContact O-N 2.73Å; G219-R222 PolarHBondContact O-N 3.32Å; R222-K224 PolarHBondContact O-N 3.44Å; R222-F225 PolarHBondContact O-N 3.07Å; R222-R226 WeakPolarHBondContact O-CG 3.49Å; R222-R226 PolarHBondContact O-N 2.98Å
223R88.4Confident90.9Very high79 Ų7959.3 Ų59.330%0.29828%0.282SS..Hα-helixtrans-61.8-41.4174.5-166.9-177.1-62.4145.8-0.8112.3G219 I220 I221 R226 A227G219-R223 WeakPolarHBondContact O-CB 3.37Å; G219-R223 PolarHBondContact O-N 3.39Å; I220-R223 PolarHBondContact O-N 2.93Å; I221-R223 PolarHBondContact O-N 3.2Å; R223-R226 PolarHBondContact O-N 2.88Å; R223-A227 PolarHBondContact O-N 2.9Å
224K89.8Confident91.4Very high148 Ų14861.4 Ų61.464%0.64329%0.291SS*.Hα-helixtrans-64-40.3173.6-68.7-175.7176.2-1750111.9I220 I221 R222 A227 I228I220-K224 PolarHBondContact O-N 2.98Å; I221-K224 WeakPolarHBondContact O-CB 3.45Å; I221-K224 PolarHBondContact O-N 2.95Å; R222-K224 PolarHBondContact O-N 3.44Å; K224-A227 WeakPolarHBondContact O-CB 3.29Å; K224-A227 PolarHBondContact O-N 3.27Å; K224-I228 PolarHBondContact O-N 3.23Å
225F91.9Very high91.6Very high43 Ų4363 Ų6319%0.18930%0.304CS..Hα-helixtrans-66.4-36.6175.7-86.8-88.9000112.9Y185 A188 C189 F192 I221 R222 A227 I228 E229Y185-F225 WeakPolarHBondContact O-CE1 3.33Å; A188-F225 HydrophobicContact CB-CE1 4.26Å; A188-F225 HydrophobicContact CB-CZ 4.44Å; C189-F225 VanDerWaalsContact CA-CZ 3.48Å; C189-F225 HydrophobicContact CB-CB 4.43Å; C189-F225 HydrophobicContact CB-CD1 3.54Å; C189-F225 HydrophobicContact CB-CD2 4Å; C189-F225 HydrophobicContact CB-CE1 3.62Å; C189-F225 HydrophobicContact CB-CE2 4.08Å; C189-F225 HydrophobicContact CB-CG 3.73Å; C189-F225 HydrophobicContact CB-CZ 3.89Å; C189-F225 VanDerWaalsContact SG-CG 3.57Å; F192-F225 HydrophobicContact CD1-CE2 4.41Å; I221-F225 HydrophobicContact CG2-CD2 3.86Å; I221-F225 HydrophobicContact CG2-CE2 3.88Å; I221-F225 WeakPolarHBondContact O-CD2 3.4Å; I221-F225 PolarHBondContact O-N 3.47Å; R222-F225 PolarHBondContact O-N 3.07Å; F225-A227 VanDerWaalsContact C-N 3.27Å; F225-A227 PolarHBondContact O-N 3.3Å; F225-I228 HydrophobicContact CD1-CD1 4.39Å; F225-I228 WeakPolarHBondContact O-CB 3.38Å; F225-I228 PolarHBondContact O-N 2.95Å; F225-I228 VanDerWaalsContact O-N 3.1Å; F225-E229 PolarHBondContact O-N 3.2Å
226R89.4Confident92Very high128 Ų12856.8 Ų56.848%0.48328%0.276SS..Hα-helixtrans-57.5-39.9171.6-74.1-174.7-174.1-176.83.4111.9A115 R222 R223 I228 E229 T230A115-R226 PolarHBondContact O-NH1 3.48Å; R222-R226 WeakPolarHBondContact O-CG 3.49Å; R222-R226 PolarHBondContact O-N 2.98Å; R223-R226 PolarHBondContact O-N 2.88Å; R226-I228 VanDerWaalsContact C-N 3.3Å; R226-I228 PolarHBondContact O-N 3.47Å; R226-E229 WeakPolarHBondContact O-CB 3.46Å; R226-E229 PolarHBondContact O-N 3.06Å; R226-T230 PolarHBondContact O-N 2.96Å; R226-T230 PolarHBondContact O-OG1 3.4Å; R226-T230 VanDerWaalsContact O-OG1 3.14Å
227A89.7Confident92.4Very high52 Ų5256.5 Ų56.543%0.4328%0.275SS..Hα-helixtrans-62.4-37.3176.300000112.6R223 K224 F225 T230 Q231R223-A227 PolarHBondContact O-N 2.9Å; K224-A227 WeakPolarHBondContact O-CB 3.29Å; K224-A227 PolarHBondContact O-N 3.27Å; F225-A227 VanDerWaalsContact C-N 3.27Å; F225-A227 PolarHBondContact O-N 3.3Å; A227-T230 PolarHBondContact O-N 2.71Å; A227-Q231 WeakPolarHBondContact O-CG 3.4Å; A227-Q231 PolarHBondContact O-N 3.47Å; A227-Q231 VanDerWaalsContact O-N 3.12Å
228I92.2Very high92.7Very high53 Ų5358.4 Ų58.427%0.27228%0.284SS..Hα-helixtrans-66.1-42.6173.8-59.9171.6000110.3Y185 K224 F225 R226 T230 Q231 L232Y185-I228 HydrophobicContact CD1-CG2 3.73Å; Y185-I228 HydrophobicContact CD2-CG2 4.14Å; Y185-I228 HydrophobicContact CE1-CG2 3.64Å; Y185-I228 HydrophobicContact CE2-CG2 4.08Å; Y185-I228 HydrophobicContact CG-CG2 3.99Å; K224-I228 PolarHBondContact O-N 3.23Å; F225-I228 HydrophobicContact CD1-CD1 4.39Å; F225-I228 WeakPolarHBondContact O-CB 3.38Å; F225-I228 PolarHBondContact O-N 2.95Å; F225-I228 VanDerWaalsContact O-N 3.1Å; R226-I228 VanDerWaalsContact C-N 3.3Å; R226-I228 PolarHBondContact O-N 3.47Å; I228-T230 PolarHBondContact O-N 2.85Å; I228-Q231 PolarHBondContact O-N 3.42Å; I228-L232 PolarHBondContact O-N 3.23Å
229E91.9Very high92.9Very high68 Ų6859.7 Ų59.732%0.31830%0.295SS..Hα-helixtrans-59.4-44.5175.3-172.4-173.3165.100111.7L122 F225 R226 Q231 L232 K233L122-E229 HydrophobicContact CD1-CG 4.44Å; F225-E229 PolarHBondContact O-N 3.2Å; R226-E229 WeakPolarHBondContact O-CB 3.46Å; R226-E229 PolarHBondContact O-N 3.06Å; E229-Q231 VanDerWaalsContact C-N 3.33Å; E229-Q231 PolarHBondContact O-N 2.9Å; E229-L232 PolarHBondContact O-N 2.98Å; E229-K233 WeakPolarHBondContact O-CG 3.45Å; E229-K233 PolarHBondContact O-N 3.25Å; E229-K233 WeakPolarHBondContact OE1-CE 3.4Å; E229-K233 IonicContact OE1-NZ 2.74Å; E229-K233 PolarHBondContact OE1-NZ 3.47Å
230T91.7Very high93Very high14 Ų1458.6 Ų58.69%0.08628%0.283CS..Hα-helixtrans-58.5-44.3175.1-56.90000111.5Q121 L125 R226 A227 I228 K233 Q234Q121-T230 HydrophobicContact CG-CG2 4.21Å; L125-T230 HydrophobicContact CD1-CG2 4.03Å; R226-T230 PolarHBondContact O-N 2.96Å; R226-T230 PolarHBondContact O-OG1 3.4Å; R226-T230 VanDerWaalsContact O-OG1 3.14Å; A227-T230 PolarHBondContact O-N 2.71Å; I228-T230 PolarHBondContact O-N 2.85Å; T230-K233 PolarHBondContact O-N 3.42Å; T230-Q234 WeakPolarHBondContact O-CB 3.36Å; T230-Q234 PolarHBondContact O-N 3.23Å
231Q94.6Very high93.1Very high132 Ų13261.8 Ų61.862%0.61730%0.298SS*.Hα-helixtrans-64.1-43.1177.6-73.1178.4-3.700112.4A227 I228 E229 Q234 S235A227-Q231 WeakPolarHBondContact O-CG 3.4Å; A227-Q231 PolarHBondContact O-N 3.47Å; A227-Q231 VanDerWaalsContact O-N 3.12Å; I228-Q231 PolarHBondContact O-N 3.42Å; E229-Q231 VanDerWaalsContact C-N 3.33Å; E229-Q231 PolarHBondContact O-N 2.9Å; Q231-Q234 PolarHBondContact O-N 2.84Å; Q231-S235 PolarHBondContact O-N 3.26Å; Q231-S235 PolarHBondContact O-OG 3.48Å
232L95.4Very high93.2Very high8 Ų865 Ų654%0.04231%0.314CS..Hα-helixtrans-61.5-44.3176.8176.260.8000111.6Y178 E181 L182 Y185 I228 E229 Q234 S235 T236Y178-L232 HydrophobicContact CD2-CD1 4.41Å; Y178-L232 HydrophobicContact CD2-CD2 4.27Å; Y178-L232 HydrophobicContact CD2-CG 3.97Å; Y178-L232 HydrophobicContact CE2-CD2 4.26Å; Y178-L232 HydrophobicContact CE2-CG 4.08Å; E181-L232 HydrophobicContact CB-CD1 3.94Å; E181-L232 HydrophobicContact CB-CD2 4.03Å; E181-L232 WeakPolarHBondContact OE2-CD1 3.5Å; L182-L232 HydrophobicContact CB-CD2 3.92Å; Y185-L232 HydrophobicContact CD2-CD2 4.07Å; Y185-L232 HydrophobicContact CE2-CD2 4.26Å; I228-L232 PolarHBondContact O-N 3.23Å; E229-L232 PolarHBondContact O-N 2.98Å; L232-Q234 VanDerWaalsContact C-N 3.34Å; L232-S235 PolarHBondContact O-OG 3.47Å; L232-T236 WeakPolarHBondContact O-CB 3.16Å; L232-T236 PolarHBondContact O-N 3.41Å; L232-T236 VanDerWaalsContact O-N 3.07Å; L232-T236 PolarHBondContact O-OG1 2.88Å
233K95.1Very high93.2Very high6 Ų659 Ų593%0.02629%0.293CS..Hα-helixtrans-65.2-39.5176.5-70.1-176.6-171.41710111.5L122 L125 D126 L129 Y178 E229 T230 T236 C237L122-K233 HydrophobicContact CD1-CD 3.67Å; L125-K233 HydrophobicContact CB-CB 3.94Å; L125-K233 HydrophobicContact CB-CD 4.47Å; L125-K233 HydrophobicContact CD1-CB 3.99Å; L125-K233 HydrophobicContact CG-CB 4.5Å; D126-K233 VanDerWaalsContact OD1-CD 3.32Å; D126-K233 WeakPolarHBondContact OD1-CD 3.32Å; D126-K233 WeakPolarHBondContact OD1-CE 3.49Å; D126-K233 IonicContact OD1-NZ 2.8Å; D126-K233 PolarHBondContact OD1-NZ 2.99Å; D126-K233 IonicContact OD2-NZ 2.59Å; D126-K233 PolarHBondContact OD2-NZ 2.93Å; L129-K233 HydrophobicContact CD1-CB 3.92Å; L129-K233 HydrophobicContact CD1-CD 4.3Å; L129-K233 HydrophobicContact CD1-CG 3.75Å; Y178-K233 HydrophobicContact CE2-CG 3.84Å; Y178-K233 WeakPolarHBondContact OH-CE 3.25Å; E229-K233 WeakPolarHBondContact O-CG 3.45Å; E229-K233 PolarHBondContact O-N 3.25Å; E229-K233 WeakPolarHBondContact OE1-CE 3.4Å; E229-K233 IonicContact OE1-NZ 2.74Å; E229-K233 PolarHBondContact OE1-NZ 3.47Å; T230-K233 PolarHBondContact O-N 3.42Å; K233-T236 PolarHBondContact O-N 2.78Å; K233-C237 WeakPolarHBondContact O-CB 3.44Å; K233-C237 PolarHBondContact O-N 3.23Å; K233-C237 PolarHBondContact O-SG 3.08Å
234Q95.8Very high93.2Very high78 Ų7859.6 Ų59.636%0.36430%0.295SS..Hα-helixtrans-62.2-50.9176.7-177.6176.6-16.300112.1L125 T230 Q231 L232 T236 C237 E238L125-Q234 HydrophobicContact CD1-CB 4.15Å; L125-Q234 HydrophobicContact CD2-CB 4.39Å; T230-Q234 WeakPolarHBondContact O-CB 3.36Å; T230-Q234 PolarHBondContact O-N 3.23Å; Q231-Q234 PolarHBondContact O-N 2.84Å; L232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-T236 PolarHBondContact O-N 3.05Å; Q234-C237 WeakPolarHBondContact O-CB 3.34Å; Q234-C237 PolarHBondContact O-N 2.88Å; Q234-E238 PolarHBondContact NE2-OE1 3.31Å; Q234-E238 VanDerWaalsContact NE2-OE1 3.08Å; Q234-E238 WeakPolarHBondContact O-CG 3.38Å; Q234-E238 PolarHBondContact O-N 3.49Å
235S96.3Very high93Very high55 Ų5555.4 Ų55.439%0.38528%0.284SS..Hα-helixtrans-61.5-36179.265.50000112Q231 L232 E238 A239Q231-S235 PolarHBondContact O-N 3.26Å; Q231-S235 PolarHBondContact O-OG 3.48Å; L232-S235 PolarHBondContact O-OG 3.47Å; S235-E238 PolarHBondContact O-N 2.92Å; S235-A239 WeakPolarHBondContact O-CB 3.45Å; S235-A239 PolarHBondContact O-N 2.87Å
236T97Very high92.8Very high10 Ų1061.9 Ų61.96%0.06131%0.307CS..Hα-helixtrans-66.7-44.9176-56.50000111.5L129 V134 I174 Y178 L232 K233 Q234 E238 A239 V240L129-T236 HydrophobicContact CD2-CG2 3.57Å; V134-T236 HydrophobicContact CG1-CG2 3.89Å; I174-T236 HydrophobicContact CG2-CG2 3.75Å; Y178-T236 HydrophobicContact CD2-CG2 3.96Å; Y178-T236 WeakPolarHBondContact CD2-OG1 3.35Å; Y178-T236 HydrophobicContact CG-CG2 4.13Å; L232-T236 WeakPolarHBondContact O-CB 3.16Å; L232-T236 PolarHBondContact O-N 3.41Å; L232-T236 VanDerWaalsContact O-N 3.07Å; L232-T236 PolarHBondContact O-OG1 2.88Å; K233-T236 PolarHBondContact O-N 2.78Å; Q234-T236 PolarHBondContact O-N 3.05Å; T236-E238 VanDerWaalsContact C-N 3.34Å; T236-E238 PolarHBondContact O-N 3.49Å; T236-A239 WeakPolarHBondContact O-CB 3.3Å; T236-A239 PolarHBondContact O-N 2.87Å; T236-V240 WeakPolarHBondContact O-CG2 3.21Å; T236-V240 PolarHBondContact O-N 3.35Å
237C95.6Very high92.4Very high7 Ų757.4 Ų57.45%0.04729%0.291CS..Hα-helixtrans-58.4-45.1173.2-75.30000111.9L125 M128 L129 K233 Q234 A239 V240 M241L125-C237 HydrophobicContact CD2-CB 4.2Å; M128-C237 HydrophobicContact SD-CB 3.54Å; M128-C237 VanDerWaalsContact SD-CB 3.54Å; M128-C237 PolarHBondContact SD-SG 2.78Å; L129-C237 VanDerWaalsContact CD2-SG 3.52Å; K233-C237 WeakPolarHBondContact O-CB 3.44Å; K233-C237 PolarHBondContact O-N 3.23Å; K233-C237 PolarHBondContact O-SG 3.08Å; Q234-C237 WeakPolarHBondContact O-CB 3.34Å; Q234-C237 PolarHBondContact O-N 2.88Å; C237-A239 PolarHBondContact O-N 3.47Å; C237-V240 PolarHBondContact O-N 3.01Å; C237-M241 WeakPolarHBondContact O-CG 3.31Å; C237-M241 PolarHBondContact O-N 3.3Å
238E95.9Very high91.5Very high96 Ų9657 Ų5745%0.44928%0.282SS..Hα-helixtrans-60.4-43.8176.2-72.1172.7-169.800111.5Q234 S235 T236 V240 M241 I242Q234-E238 PolarHBondContact NE2-OE1 3.31Å; Q234-E238 VanDerWaalsContact NE2-OE1 3.08Å; Q234-E238 WeakPolarHBondContact O-CG 3.38Å; Q234-E238 PolarHBondContact O-N 3.49Å; S235-E238 PolarHBondContact O-N 2.92Å; T236-E238 VanDerWaalsContact C-N 3.34Å; T236-E238 PolarHBondContact O-N 3.49Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.99Å; E238-M241 PolarHBondContact O-N 3.46Å; E238-I242 VanDerWaalsContact O-CG1 3.27Å; E238-I242 WeakPolarHBondContact O-CG1 3.27Å; E238-I242 PolarHBondContact O-N 2.88Å
239A96.4Very high90.3Very high37 Ų3757.9 Ų57.931%0.30629%0.287SS..Hα-helixtrans-60-42.4175.800000112.1I174 S235 T236 C237 I242 L243I174-A239 HydrophobicContact CD1-CB 4.09Å; I174-A239 HydrophobicContact CG1-CB 4.43Å; S235-A239 WeakPolarHBondContact O-CB 3.45Å; S235-A239 PolarHBondContact O-N 2.87Å; T236-A239 WeakPolarHBondContact O-CB 3.3Å; T236-A239 PolarHBondContact O-N 2.87Å; C237-A239 PolarHBondContact O-N 3.47Å; A239-I242 PolarHBondContact O-N 3.24Å; A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 3.13Å
240V94.1Very high88.9Confident4 Ų457 Ų572%0.02429%0.291CS..Hα-helixtrans-66-43.1175.4176.40000111.4E132 V134 L171 I174 T236 C237 E238 I242 L243 R244E132-V240 HydrophobicContact CB-CG1 3.81Å; E132-V240 HydrophobicContact CG-CG1 3.59Å; V134-V240 HydrophobicContact CG2-CG2 3.81Å; L171-V240 HydrophobicContact CD1-CG2 4.19Å; I174-V240 HydrophobicContact CD1-CG2 4.34Å; I174-V240 HydrophobicContact CG2-CG2 4.01Å; T236-V240 WeakPolarHBondContact O-CG2 3.21Å; T236-V240 PolarHBondContact O-N 3.35Å; C237-V240 PolarHBondContact O-N 3.01Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.99Å; V240-I242 PolarHBondContact O-N 3.01Å; V240-L243 WeakPolarHBondContact O-CB 3.41Å; V240-L243 PolarHBondContact O-N 3.33Å; V240-R244 HydrophobicContact CG1-CG 4.4Å; V240-R244 WeakPolarHBondContact O-CG 3.48Å; V240-R244 PolarHBondContact O-N 3.09Å
241M91.5Very high87.4Confident119 Ų11964 Ų6459%0.58632%0.316SS*.Hα-helixtrans-61.2-43.7176.8-74.1-175.366.400112C237 E238 L243 R244 S245C237-M241 WeakPolarHBondContact O-CG 3.31Å; C237-M241 PolarHBondContact O-N 3.3Å; E238-M241 PolarHBondContact O-N 3.46Å; M241-L243 VanDerWaalsContact C-N 3.34Å; M241-R244 PolarHBondContact O-N 3.46Å; M241-S245 PolarHBondContact O-N 3.37Å
242I92.5Very high85.8Confident89 Ų8966.2 Ų66.246%0.45632%0.319SS..Hα-helixtrans-62.5-43.6175.5-68.7165.2000110.3E238 A239 V240 S245 R246E238-I242 VanDerWaalsContact O-CG1 3.27Å; E238-I242 WeakPolarHBondContact O-CG1 3.27Å; E238-I242 PolarHBondContact O-N 2.88Å; A239-I242 PolarHBondContact O-N 3.24Å; V240-I242 PolarHBondContact O-N 3.01Å; I242-S245 PolarHBondContact O-N 2.96Å; I242-R246 HydrophobicContact CG2-CG 4.49Å; I242-R246 WeakPolarHBondContact O-CG 3.34Å; I242-R246 PolarHBondContact O-N 3.36Å
243L91.6Very high84Confident12 Ų1274.4 Ų74.46%0.06335%0.354CS..Hα-helixtrans-59.4-48.6176.4-175.667.1000110.6Y167 K170 L171 I174 A239 V240 M241 S245 R246 F247Y167-L243 HydrophobicContact CD2-CD1 4.39Å; Y167-L243 HydrophobicContact CD2-CD2 4.08Å; Y167-L243 HydrophobicContact CD2-CG 3.86Å; Y167-L243 HydrophobicContact CE2-CD2 3.9Å; Y167-L243 HydrophobicContact CE2-CG 3.76Å; K170-L243 HydrophobicContact CB-CD1 3.61Å; K170-L243 HydrophobicContact CB-CD2 4.02Å; K170-L243 HydrophobicContact CD-CD1 3.77Å; K170-L243 HydrophobicContact CG-CD1 4.31Å; L171-L243 HydrophobicContact CB-CD2 3.96Å; L171-L243 HydrophobicContact CD1-CD2 4.41Å; I174-L243 HydrophobicContact CD1-CB 4.33Å; I174-L243 HydrophobicContact CD1-CD2 3.91Å; A239-L243 WeakPolarHBondContact O-CB 3.4Å; A239-L243 PolarHBondContact O-N 3.13Å; V240-L243 WeakPolarHBondContact O-CB 3.41Å; V240-L243 PolarHBondContact O-N 3.33Å; M241-L243 VanDerWaalsContact C-N 3.34Å; L243-S245 PolarHBondContact O-N 2.89Å; L243-R246 PolarHBondContact O-N 3.26Å; L243-F247 HydrophobicContact CD1-CD2 3.64Å; L243-F247 HydrophobicContact CD1-CE2 3.38Å; L243-F247 HydrophobicContact CD1-CZ 4.48Å; L243-F247 HydrophobicContact CG-CD2 4.22Å; L243-F247 HydrophobicContact CG-CE2 4.39Å; L243-F247 VanDerWaalsContact O-CD2 3.31Å; L243-F247 WeakPolarHBondContact O-CD2 3.47Å; L243-F247 PolarHBondContact O-N 2.96Å; L243-F247 VanDerWaalsContact O-N 3.09Å
244R88.1Confident82.3Confident93 Ų9383.8 Ų83.835%0.35139%0.389SS..Hα-helixtrans-60.7-43.7177-73.2-175.97696.81.2112.7E132 Y167 V240 M241 F247 L248E132-R244 VanDerWaalsContact CD-NH1 3.33Å; E132-R244 VanDerWaalsContact OE1-CD 3.25Å; E132-R244 WeakPolarHBondContact OE1-CD 3.16Å; E132-R244 IonicContact OE1-CZ 2.91Å; E132-R244 IonicContact OE1-NE 3.42Å; E132-R244 PolarHBondContact OE1-NE 3.32Å; E132-R244 IonicContact OE1-NH1 3.75Å; E132-R244 PolarHBondContact OE1-NH1 3.47Å; E132-R244 WeakPolarHBondContact OE2-CD 3.49Å; E132-R244 IonicContact OE2-CZ 2.76Å; E132-R244 IonicContact OE2-NH1 2.68Å; E132-R244 PolarHBondContact OE2-NH1 3.02Å; Y167-R244 HydrophobicContact CE2-CG 4.34Å; V240-R244 HydrophobicContact CG1-CG 4.4Å; V240-R244 WeakPolarHBondContact O-CG 3.48Å; V240-R244 PolarHBondContact O-N 3.09Å; M241-R244 PolarHBondContact O-N 3.46Å; R244-F247 PolarHBondContact O-N 2.85Å; R244-L248 HydrophobicContact CB-CD1 4.15Å; R244-L248 WeakPolarHBondContact O-CA 3.34Å; R244-L248 WeakPolarHBondContact O-CB 3.22Å; R244-L248 WeakPolarHBondContact O-CG 3.34Å; R244-L248 PolarHBondContact O-N 3.43Å
245S87.1Confident81.2Confident59 Ų5991.1 Ų91.141%0.41341%0.414SS..Hα-helixtrans-61.1-47.6176.8171.50000110.7M241 I242 L243 F247 D249M241-S245 PolarHBondContact O-N 3.37Å; I242-S245 PolarHBondContact O-N 2.96Å; L243-S245 PolarHBondContact O-N 2.89Å; S245-F247 VanDerWaalsContact C-N 3.29Å; S245-F247 PolarHBondContact O-N 3.39Å; S245-D249 WeakPolarHBondContact CA-OD2 3.48Å; S245-D249 WeakPolarHBondContact O-CB 3.29Å; S245-D249 VanDerWaalsContact O-CG 3.27Å; S245-D249 PolarHBondContact O-N 2.75Å; S245-D249 VanDerWaalsContact O-OD2 3.1Å; S245-D249 PolarHBondContact OG-OD2 3.38Å
246R86.1Confident80.7Confident179 Ų17995 Ų9568%0.67543%0.43SS*.Hα-helixtrans-57.7-39.5179.2-73.6-179.5178.4-176.40.4113.1I242 L243 A250I242-R246 HydrophobicContact CG2-CG 4.49Å; I242-R246 WeakPolarHBondContact O-CG 3.34Å; I242-R246 PolarHBondContact O-N 3.36Å; L243-R246 PolarHBondContact O-N 3.26Å; R246-A250 WeakPolarHBondContact O-CB 3.03Å; R246-A250 PolarHBondContact O-N 3.49Å
247F81.2Confident80.3Confident34 Ų3497 Ų9715%0.14944%0.438CS..Hα-helixtrans-92.8-38.1-176.1-77.6-93.7000114E163 D166 Y167 K170 L243 R244 S245 R251E163-F247 WeakPolarHBondContact O-CE1 3.36Å; D166-F247 HydrophobicContact CB-CE1 3.99Å; D166-F247 HydrophobicContact CB-CZ 3.98Å; Y167-F247 HydrophobicContact CD2-CB 3.75Å; Y167-F247 HydrophobicContact CD2-CD1 4.27Å; Y167-F247 AromaticContact CD2-CD2 3.76Å; Y167-F247 HydrophobicContact CD2-CD2 3.76Å; Y167-F247 HydrophobicContact CD2-CE2 4.41Å; Y167-F247 AromaticContact CD2-CG 3.66Å; Y167-F247 HydrophobicContact CD2-CG 3.66Å; Y167-F247 HydrophobicContact CE2-CB 4.4Å; Y167-F247 HydrophobicContact CG-CD1 4.49Å; Y167-F247 HydrophobicContact CG-CG 4.31Å; K170-F247 HydrophobicContact CD-CE2 3.86Å; K170-F247 HydrophobicContact CD-CZ 3.96Å; L243-F247 HydrophobicContact CD1-CD2 3.64Å; L243-F247 HydrophobicContact CD1-CE2 3.38Å; L243-F247 HydrophobicContact CD1-CZ 4.48Å; L243-F247 HydrophobicContact CG-CD2 4.22Å; L243-F247 HydrophobicContact CG-CE2 4.39Å; L243-F247 VanDerWaalsContact O-CD2 3.31Å; L243-F247 WeakPolarHBondContact O-CD2 3.47Å; L243-F247 PolarHBondContact O-N 2.96Å; L243-F247 VanDerWaalsContact O-N 3.09Å; R244-F247 PolarHBondContact O-N 2.85Å; S245-F247 VanDerWaalsContact C-N 3.29Å; S245-F247 PolarHBondContact O-N 3.39Å; F247-R251 VanDerWaalsContact O-CB 3.29Å; F247-R251 WeakPolarHBondContact O-CB 3.49Å; F247-R251 PolarHBondContact O-N 2.93Å
248L70.9Confident80.1Confident45 Ų4599.7 Ų99.724%0.23646%0.457CS..Hα-helixtrans-75.4-37177.9-65.6174.3000111.9R244 R251 R252R244-L248 HydrophobicContact CB-CD1 4.15Å; R244-L248 WeakPolarHBondContact O-CA 3.34Å; R244-L248 WeakPolarHBondContact O-CB 3.22Å; R244-L248 WeakPolarHBondContact O-CG 3.34Å; R244-L248 PolarHBondContact O-N 3.43Å; L248-R251 PolarHBondContact O-N 2.69Å; L248-R252 WeakPolarHBondContact O-CB 3.11Å; L248-R252 WeakPolarHBondContact O-CG 3.05Å; L248-R252 PolarHBondContact O-N 3Å
249D67.8Low80Confident71 Ų71103 Ų10338%0.3847%0.47SS..Hα-helixtrans-73.6-33.7174.8-58-37.7000110.6S245 R252 K253S245-D249 WeakPolarHBondContact CA-OD2 3.48Å; S245-D249 WeakPolarHBondContact O-CB 3.29Å; S245-D249 VanDerWaalsContact O-CG 3.27Å; S245-D249 PolarHBondContact O-N 2.75Å; S245-D249 VanDerWaalsContact O-OD2 3.1Å; S245-D249 PolarHBondContact OG-OD2 3.38Å; D249-R252 CarbonylContact O-C 3.06Å; D249-R252 PolarHBondContact O-N 3.37Å; D249-R252 IonicContact OD1-CZ 2.77Å; D249-R252 IonicContact OD1-NH1 3.66Å; D249-R252 PolarHBondContact OD1-NH1 3.23Å; D249-K253 PolarHBondContact O-N 2.92Å; D249-K253 VanDerWaalsContact O-N 3.15Å
250A62.2Low79.9Confident48 Ų48107.7 Ų107.740%0.39749%0.485SS..Hα-helixtrans-63-42.4167.900000112R246 R252 K253R246-A250 WeakPolarHBondContact O-CB 3.03Å; R246-A250 PolarHBondContact O-N 3.49Å; A250-R252 VanDerWaalsContact C-N 3.27Å; A250-R252 PolarHBondContact O-N 2.9Å; A250-K253 WeakPolarHBondContact O-CB 3.37Å; A250-K253 PolarHBondContact O-N 3.26Å
251R60Low80Confident162 Ų162107.5 Ų107.561%0.61149%0.485SS*.Hα-helixtrans-65.6-30174.2-163.7177.374.6169.63.3112.6F247 L248 K253F247-R251 VanDerWaalsContact O-CB 3.29Å; F247-R251 WeakPolarHBondContact O-CB 3.49Å; F247-R251 PolarHBondContact O-N 2.93Å; L248-R251 PolarHBondContact O-N 2.69Å; R251-K253 PolarHBondContact O-N 2.74Å
252R61.4Low80.2Confident179 Ų179104.1 Ų104.168%0.67547%0.47SS*.THydrogen-bonded Turntrans-77.5-5.5172.4-75.9-171.6-144.9129.48.7113.3L248 D249 A250 R254L248-R252 WeakPolarHBondContact O-CB 3.11Å; L248-R252 WeakPolarHBondContact O-CG 3.05Å; L248-R252 PolarHBondContact O-N 3Å; D249-R252 CarbonylContact O-C 3.06Å; D249-R252 PolarHBondContact O-N 3.37Å; D249-R252 IonicContact OD1-CZ 2.77Å; D249-R252 IonicContact OD1-NH1 3.66Å; D249-R252 PolarHBondContact OD1-NH1 3.23Å; A250-R252 VanDerWaalsContact C-N 3.27Å; A250-R252 PolarHBondContact O-N 2.9Å; R252-R254 PolarHBondContact O-N 3.15Å
253K57.2Low80.4Confident180 Ų180104.6 Ų104.678%0.78347%0.471SS*.SBendtrans-56.7113.1177.7-156.3170.1-172.3-179.80107.8D249 A250 R251 R255D249-K253 PolarHBondContact O-N 2.92Å; D249-K253 VanDerWaalsContact O-N 3.15Å; A250-K253 WeakPolarHBondContact O-CB 3.37Å; A250-K253 PolarHBondContact O-N 3.26Å; R251-K253 PolarHBondContact O-N 2.74Å; K253-R255 PolarHBondContact O-N 3.07Å
254R60.5Low80.7Confident202 Ų202105.7 Ų105.776%0.76248%0.478SS*.  trans-51.3113.4-165.3-166.4-178.3-167.2177.85.1109.9R252 N256R252-R254 PolarHBondContact O-N 3.15Å; R254-N256 PolarHBondContact O-N 3.23Å; R254-N256 VanDerWaalsContact O-N 3.08Å
255R72.5Confident81.1Confident233 Ų233101.2 Ų101.288%0.87946%0.461SS*.  trans-68109.5171.9-144.7175.585-171.36.3107.2K253K253-R255 PolarHBondContact O-N 3.07Å
256N84.7Confident81.6Confident135 Ų135100.3 Ų100.372%0.72245%0.452SS*.PPolyproline II helixtrans-61.9150.3170.9-67.6-36.1000108.4R254R254-N256 PolarHBondContact O-N 3.23Å; R254-N256 VanDerWaalsContact O-N 3.08Å
257F88.9Confident82.1Confident53 Ų5398.6 Ų98.623%0.23245%0.451CS..PPolyproline II helixtrans-63.1154.8168.2-60.7-24.4000109.4A261 L265 I292 Q296 W300F257-A261 HydrophobicContact CB-CB 4.15Å; F257-L265 HydrophobicContact CD2-CD1 3.92Å; F257-L265 HydrophobicContact CE2-CD1 4.13Å; F257-I292 HydrophobicContact CD1-CG2 4.14Å; F257-I292 HydrophobicContact CD2-CD1 4.24Å; F257-I292 HydrophobicContact CE1-CG2 4.25Å; F257-I292 HydrophobicContact CE2-CD1 3.91Å; F257-I292 HydrophobicContact CZ-CD1 4.1Å; F257-Q296 HydrophobicContact CE1-CB 4.34Å; F257-Q296 HydrophobicContact CE1-CG 4.42Å; F257-Q296 HydrophobicContact CZ-CB 3.88Å; F257-Q296 HydrophobicContact CZ-CG 4.33Å; F257-W300 AromaticContact CD2-CD1 3.64Å; F257-W300 HydrophobicContact CD2-CG 4.49Å; F257-W300 HydrophobicContact CE2-CB 3.99Å; F257-W300 AromaticContact CE2-CD1 3.37Å; F257-W300 AromaticContact CE2-CG 3.95Å; F257-W300 HydrophobicContact CE2-CG 3.95Å
258S91.6Very high82.9Confident64 Ų6499.3 Ų99.345%0.44845%0.453SS..PPolyproline II helixtrans-58.1158.6173.762.40000110.1E260 A261 T262S258-E260 VanDerWaalsContact C-N 3.28Å; S258-E260 PolarHBondContact O-N 2.95Å; S258-A261 PolarHBondContact O-N 3.16Å; S258-A261 WeakPolarHBondContact OG-CB 3.32Å; S258-A261 PolarHBondContact OG-N 3.01Å; S258-A261 VanDerWaalsContact OG-N 3.13Å; S258-T262 WeakPolarHBondContact O-CB 3.44Å; S258-T262 PolarHBondContact O-N 3.49Å; S258-T262 PolarHBondContact O-OG1 2.98Å
259K93.6Very high84.2Confident165 Ų16597.2 Ų97.272%0.71744%0.442SS*.Hα-helixtrans-57-46.8176.7-168.6-172.9179.8-157.80110.5T262 E263K259-T262 CarbonylContact O-C 3.57Å; K259-T262 WeakPolarHBondContact O-CA 3.23Å; K259-T262 WeakPolarHBondContact O-CB 3.45Å; K259-T262 PolarHBondContact O-N 2.93Å; K259-T262 VanDerWaalsContact O-N 3.13Å; K259-E263 WeakPolarHBondContact CE-OE1 3.39Å; K259-E263 WeakPolarHBondContact CG-OE1 3.46Å; K259-E263 IonicContact NZ-OE1 2.67Å; K259-E263 WeakPolarHBondContact O-CG 3.47Å; K259-E263 PolarHBondContact O-N 2.89Å
260E94.8Very high85.6Confident135 Ų13599.4 Ų99.463%0.63145%0.446SS*.Hα-helixtrans-57-50.8175.7-177.4-177.6-171.400112.7S258 T262 E263 V264S258-E260 VanDerWaalsContact C-N 3.28Å; S258-E260 PolarHBondContact O-N 2.95Å; E260-T262 PolarHBondContact O-N 3.39Å; E260-E263 WeakPolarHBondContact O-CB 3.27Å; E260-E263 PolarHBondContact O-N 3.3Å; E260-E263 VanDerWaalsContact O-N 3.13Å; E260-V264 WeakPolarHBondContact O-CG2 3.46Å; E260-V264 PolarHBondContact O-N 3.16Å
261A95.8Very high87.2Confident1 Ų1101 Ų1011%0.00845%0.454CS..Hα-helixtrans-60.1-37.817700000111.6F257 S258 L265 C290F257-A261 HydrophobicContact CB-CB 4.15Å; S258-A261 PolarHBondContact O-N 3.16Å; S258-A261 WeakPolarHBondContact OG-CB 3.32Å; S258-A261 PolarHBondContact OG-N 3.01Å; S258-A261 VanDerWaalsContact OG-N 3.13Å; A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 WeakPolarHBondContact O-CD1 3.34Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 3.49Å; A261-L265 VanDerWaalsContact O-N 3.13Å; A261-C290 HydrophobicContact CB-CB 3.69Å
262T95.9Very high88.9Confident47 Ų4797.1 Ų97.129%0.28844%0.443SS..Hα-helixtrans-68-39.2177.1-56.90000111.9S258 K259 E260 N266S258-T262 WeakPolarHBondContact O-CB 3.44Å; S258-T262 PolarHBondContact O-N 3.49Å; S258-T262 PolarHBondContact O-OG1 2.98Å; K259-T262 CarbonylContact O-C 3.57Å; K259-T262 WeakPolarHBondContact O-CA 3.23Å; K259-T262 WeakPolarHBondContact O-CB 3.45Å; K259-T262 PolarHBondContact O-N 2.93Å; K259-T262 VanDerWaalsContact O-N 3.13Å; E260-T262 PolarHBondContact O-N 3.39Å; T262-N266 VanDerWaalsContact O-CB 3.31Å; T262-N266 WeakPolarHBondContact O-CB 3.42Å; T262-N266 VanDerWaalsContact O-CG 3.23Å; T262-N266 PolarHBondContact O-N 3.44Å; T262-N266 PolarHBondContact O-ND2 3.3Å
263E97.1Very high90.5Very high100 Ų10091.9 Ų91.947%0.46743%0.428SS..Hα-helixtrans-62.9-50.8176-74.8166.7-179.300110.8K259 E260 L265 N266 E267K259-E263 WeakPolarHBondContact CE-OE1 3.39Å; K259-E263 WeakPolarHBondContact CG-OE1 3.46Å; K259-E263 IonicContact NZ-OE1 2.67Å; K259-E263 WeakPolarHBondContact O-CG 3.47Å; K259-E263 PolarHBondContact O-N 2.89Å; E260-E263 WeakPolarHBondContact O-CB 3.27Å; E260-E263 PolarHBondContact O-N 3.3Å; E260-E263 VanDerWaalsContact O-N 3.13Å; E263-L265 PolarHBondContact O-N 3.01Å; E263-N266 PolarHBondContact O-N 3.35Å; E263-N266 VanDerWaalsContact O-N 3.14Å; E263-E267 WeakPolarHBondContact O-CB 3.19Å; E263-E267 PolarHBondContact O-N 3.47Å
264V96.9Very high92.1Very high34 Ų3488.4 Ų88.421%0.20643%0.433CS..Hα-helixtrans-57.3-46.2178172.70000111.9E260 E267 Y268 L286 K289E260-V264 WeakPolarHBondContact O-CG2 3.46Å; E260-V264 PolarHBondContact O-N 3.16Å; V264-E267 PolarHBondContact O-N 3.02Å; V264-Y268 PolarHBondContact O-N 3.46Å; V264-Y268 VanDerWaalsContact O-N 3.13Å; V264-L286 HydrophobicContact CG1-CD2 3.87Å; V264-K289 HydrophobicContact CG1-CB 4.25Å; V264-K289 HydrophobicContact CG1-CD 4.47Å
265L97.6Very high93.7Very high0 Ų083.7 Ų83.70%042%0.422CS..Hα-helixtrans-66.3-37.9178.6-68.6169.9000112.3F257 A261 E263 F269 L286 I292 V297 W300 F301F257-L265 HydrophobicContact CD2-CD1 3.92Å; F257-L265 HydrophobicContact CE2-CD1 4.13Å; A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 WeakPolarHBondContact O-CD1 3.34Å; A261-L265 WeakPolarHBondContact O-CG 3.31Å; A261-L265 PolarHBondContact O-N 3.49Å; A261-L265 VanDerWaalsContact O-N 3.13Å; E263-L265 PolarHBondContact O-N 3.01Å; L265-F269 WeakPolarHBondContact O-CB 3.27Å; L265-F269 PolarHBondContact O-N 3.03Å; L265-L286 HydrophobicContact CD2-CB 4.35Å; L265-I292 HydrophobicContact CD1-CD1 3.99Å; L265-V297 HydrophobicContact CD2-CG1 4.18Å; L265-V297 HydrophobicContact CD2-CG2 4.45Å; L265-W300 HydrophobicContact CB-CD2 4.06Å; L265-W300 HydrophobicContact CB-CE3 3.97Å; L265-W300 HydrophobicContact CB-CH2 3.64Å; L265-W300 HydrophobicContact CB-CZ2 3.7Å; L265-W300 HydrophobicContact CB-CZ3 3.78Å; L265-W300 HydrophobicContact CD1-CD2 3.84Å; L265-W300 HydrophobicContact CD1-CE3 4.37Å; L265-W300 HydrophobicContact CD1-CG 3.88Å; L265-W300 HydrophobicContact CD2-CE3 4.48Å; L265-W300 HydrophobicContact CG-CD2 4.44Å; L265-W300 WeakPolarHBondContact O-CH2 3.35Å; L265-F301 HydrophobicContact CD2-CE2 3.77Å
266N97Very high94.8Very high40 Ų4073.4 Ų73.421%0.21439%0.386CS..Hα-helixtrans-67.8-44.3176-79.8-38000111.6T262 E263 Y268 F269 Y270 W300 K304T262-N266 VanDerWaalsContact O-CB 3.31Å; T262-N266 WeakPolarHBondContact O-CB 3.42Å; T262-N266 VanDerWaalsContact O-CG 3.23Å; T262-N266 PolarHBondContact O-N 3.44Å; T262-N266 PolarHBondContact O-ND2 3.3Å; E263-N266 PolarHBondContact O-N 3.35Å; E263-N266 VanDerWaalsContact O-N 3.14Å; N266-Y268 VanDerWaalsContact C-N 3.33Å; N266-Y268 PolarHBondContact O-N 3.41Å; N266-F269 PolarHBondContact O-N 2.92Å; N266-F269 VanDerWaalsContact O-N 3.15Å; N266-Y270 HydrophobicContact CB-CD2 4.13Å; N266-Y270 HydrophobicContact CB-CE2 4.05Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.08Å; N266-W300 WeakPolarHBondContact OD1-CH2 3.36Å; N266-W300 WeakPolarHBondContact OD1-CZ2 3.46Å; N266-K304 PolarHBondContact OD1-NZ 2.97Å
267E97.4Very high95.3Very high142 Ų14273.8 Ų73.866%0.66438%0.378SS*.Hα-helixtrans-56.3-48.1177.5-175-175.3175.200110.9E263 V264 F269 Y270 S271E263-E267 WeakPolarHBondContact O-CB 3.19Å; E263-E267 PolarHBondContact O-N 3.47Å; V264-E267 PolarHBondContact O-N 3.02Å; E267-F269 PolarHBondContact O-N 3.37Å; E267-Y270 PolarHBondContact O-N 2.89Å; E267-S271 WeakPolarHBondContact O-CB 3.2Å; E267-S271 PolarHBondContact O-N 3.06Å; E267-S271 PolarHBondContact O-OG 2.86Å
268Y97.3Very high95.6Very high50 Ų5071.8 Ų71.820%0.19637%0.371CS..Hα-helixtrans-61.4-45.8175-171.3-80.1000111.8V264 N266 Y270 S271 H272 P278 A282 L286 F301V264-Y268 PolarHBondContact O-N 3.46Å; V264-Y268 VanDerWaalsContact O-N 3.13Å; N266-Y268 VanDerWaalsContact C-N 3.33Å; N266-Y268 PolarHBondContact O-N 3.41Å; Y268-Y270 PolarHBondContact O-N 2.87Å; Y268-S271 WeakPolarHBondContact CA-OG 3.21Å; Y268-S271 PolarHBondContact O-N 3.17Å; Y268-S271 PolarHBondContact O-OG 3Å; Y268-H272 HydrophobicContact CE1-CB 4.37Å; Y268-H272 AromaticContact CE1-ND1 3.93Å; Y268-H272 AromaticContact CE2-CE1 3.76Å; Y268-H272 AromaticContact CZ-CE1 3.92Å; Y268-H272 AromaticContact CZ-ND1 3.95Å; Y268-H272 WeakPolarHBondContact O-CB 3.38Å; Y268-H272 PolarHBondContact O-N 3.18Å; Y268-H272 VanDerWaalsContact O-N 3.12Å; Y268-H272 PolarHBondContact O-ND1 3.35Å; Y268-P278 HydrophobicContact CE1-CB 3.74Å; Y268-P278 HydrophobicContact CE1-CG 4.36Å; Y268-A282 HydrophobicContact CE2-CB 4.4Å; Y268-L286 HydrophobicContact CD1-CD1 4.14Å; Y268-L286 HydrophobicContact CD2-CD1 4.04Å; Y268-L286 HydrophobicContact CD2-CD2 4.18Å; Y268-L286 HydrophobicContact CD2-CG 4.46Å; Y268-L286 HydrophobicContact CE1-CD1 4.48Å; Y268-L286 HydrophobicContact CE2-CD1 4.39Å; Y268-L286 HydrophobicContact CG-CD1 3.9Å; Y268-L286 HydrophobicContact CG-CD2 4.25Å; Y268-F301 AromaticContact CD1-CE1 3.73Å; Y268-F301 HydrophobicContact CD1-CE1 3.73Å; Y268-F301 AromaticContact CD1-CZ 3.49Å; Y268-F301 HydrophobicContact CD1-CZ 3.49Å; Y268-F301 VanDerWaalsContact CD1-CZ 3.49Å; Y268-F301 HydrophobicContact CE1-CE1 4.26Å; Y268-F301 HydrophobicContact CE1-CZ 4.2Å; Y268-F301 HydrophobicContact CG-CZ 4.2Å
269F97.7Very high95.9Very high1 Ų172.1 Ų72.10%0.00437%0.373CS..Hα-helixtrans-60.8-45.2-179.4-176.5-89.5000112.4L265 N266 E267 H272 L273 P276 W300 F301 K304 R305 Y308L265-F269 WeakPolarHBondContact O-CB 3.27Å; L265-F269 PolarHBondContact O-N 3.03Å; N266-F269 PolarHBondContact O-N 2.92Å; N266-F269 VanDerWaalsContact O-N 3.15Å; E267-F269 PolarHBondContact O-N 3.37Å; F269-H272 CarbonylContact O-C 3.55Å; F269-H272 PolarHBondContact O-N 3.09Å; F269-L273 HydrophobicContact CD1-CD2 4.28Å; F269-L273 HydrophobicContact CE1-CD2 3.84Å; F269-L273 PolarHBondContact O-N 3.02Å; F269-P276 HydrophobicContact CD2-CB 3.92Å; F269-P276 HydrophobicContact CE2-CB 3.67Å; F269-P276 HydrophobicContact CE2-CG 4.28Å; F269-P276 HydrophobicContact CZ-CB 4.32Å; F269-W300 HydrophobicContact CB-CH2 4.28Å; F269-W300 HydrophobicContact CB-CZ3 4.19Å; F269-W300 HydrophobicContact CD2-CZ3 4.45Å; F269-F301 HydrophobicContact CB-CE1 4.12Å; F269-F301 AromaticContact CD2-CD1 4Å; F269-F301 HydrophobicContact CD2-CD1 4Å; F269-F301 HydrophobicContact CD2-CE1 4Å; F269-K304 HydrophobicContact CD1-CG 4.05Å; F269-K304 HydrophobicContact CD2-CB 4.24Å; F269-K304 HydrophobicContact CD2-CG 3.53Å; F269-K304 HydrophobicContact CE1-CG 4.04Å; F269-K304 HydrophobicContact CE2-CB 4.11Å; F269-K304 HydrophobicContact CE2-CG 3.5Å; F269-K304 HydrophobicContact CG-CG 3.81Å; F269-K304 HydrophobicContact CZ-CG 3.78Å; F269-R305 HydrophobicContact CE2-CG 3.92Å; F269-Y308 HydrophobicContact CE1-CD1 4.32Å; F269-Y308 HydrophobicContact CE1-CD2 4.04Å; F269-Y308 AromaticContact CE1-CG 3.93Å; F269-Y308 HydrophobicContact CE1-CG 3.93Å; F269-Y308 HydrophobicContact CZ-CD1 4.14Å; F269-Y308 HydrophobicContact CZ-CD2 4.48Å; F269-Y308 AromaticContact CZ-CG 3.91Å; F269-Y308 HydrophobicContact CZ-CG 3.91Å
270Y96.6Very high96Very high117 Ų11769.1 Ų69.146%0.45936%0.362SS..Hα-helixtrans-76.1-31.6-177.1-69.7-62.2000112.9N266 E267 Y268 H272 L273 K304 Y308N266-Y270 HydrophobicContact CB-CD2 4.13Å; N266-Y270 HydrophobicContact CB-CE2 4.05Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.08Å; E267-Y270 PolarHBondContact O-N 2.89Å; Y268-Y270 PolarHBondContact O-N 2.87Å; Y270-H272 PolarHBondContact O-N 3.27Å; Y270-L273 HydrophobicContact CD1-CD1 4.16Å; Y270-L273 HydrophobicContact CD1-CD2 4.11Å; Y270-L273 HydrophobicContact CD1-CG 4.29Å; Y270-L273 WeakPolarHBondContact O-CG 3.5Å; Y270-K304 PolarHBondContact OH-NZ 3.04Å; Y270-Y308 HydrophobicContact CE1-CE2 4.45Å
271S96.7Very high96.1Very high82 Ų8269.4 Ų69.457%0.57336%0.363SS*.Hα-helixtrans-68.8-21.7170.754.30000113.3E267 Y268E267-S271 WeakPolarHBondContact O-CB 3.2Å; E267-S271 PolarHBondContact O-N 3.06Å; E267-S271 PolarHBondContact O-OG 2.86Å; Y268-S271 WeakPolarHBondContact CA-OG 3.21Å; Y268-S271 PolarHBondContact O-N 3.17Å; Y268-S271 PolarHBondContact O-OG 3Å
272H96.4Very high96.1Very high79 Ų7970 Ų7037%0.36637%0.367SS..THydrogen-bonded Turntrans-116.633.2-179.1-62.976.8000113.2Y268 F269 Y270 A274 N275 P276Y268-H272 HydrophobicContact CE1-CB 4.37Å; Y268-H272 AromaticContact CE1-ND1 3.93Å; Y268-H272 AromaticContact CE2-CE1 3.76Å; Y268-H272 AromaticContact CZ-CE1 3.92Å; Y268-H272 AromaticContact CZ-ND1 3.95Å; Y268-H272 WeakPolarHBondContact O-CB 3.38Å; Y268-H272 PolarHBondContact O-N 3.18Å; Y268-H272 VanDerWaalsContact O-N 3.12Å; Y268-H272 PolarHBondContact O-ND1 3.35Å; F269-H272 CarbonylContact O-C 3.55Å; F269-H272 PolarHBondContact O-N 3.09Å; Y270-H272 PolarHBondContact O-N 3.27Å; H272-A274 PolarHBondContact O-N 2.91Å; H272-A274 VanDerWaalsContact O-N 3.15Å; H272-N275 CarbonylContact O-C 3.51Å; H272-N275 PolarHBondContact O-N 3.47Å; H272-P276 WeakPolarHBondContact O-CA 3.42Å
273L94.4Very high96.2Very high69 Ų6969.5 Ų69.536%0.36136%0.362SS..THydrogen-bonded Turntrans-55.9-33.9-176.3-85.4168.2000114.7F269 Y270 N275 Y308F269-L273 HydrophobicContact CD1-CD2 4.28Å; F269-L273 HydrophobicContact CE1-CD2 3.84Å; F269-L273 PolarHBondContact O-N 3.02Å; Y270-L273 HydrophobicContact CD1-CD1 4.16Å; Y270-L273 HydrophobicContact CD1-CD2 4.11Å; Y270-L273 HydrophobicContact CD1-CG 4.29Å; Y270-L273 WeakPolarHBondContact O-CG 3.5Å; L273-N275 VanDerWaalsContact C-N 3.32Å; L273-Y308 HydrophobicContact CD2-CD1 4.46Å; L273-Y308 HydrophobicContact CD2-CE1 3.68Å; L273-Y308 HydrophobicContact CD2-CE2 3.95Å; L273-Y308 WeakPolarHBondContact CD2-OH 3.47Å
274A91.6Very high96.2Very high107 Ų10770 Ų7088%0.88436%0.364SS*.THydrogen-bonded Turntrans-68.3-32.2178.900000112.5H272H272-A274 PolarHBondContact O-N 2.91Å; H272-A274 VanDerWaalsContact O-N 3.15Å
275N93.7Very high96.2Very high103 Ų10373.3 Ų73.355%0.55138%0.377SS*.  trans-14576.3179-17330.1000111.1H272 L273 Y277H272-N275 CarbonylContact O-C 3.51Å; H272-N275 PolarHBondContact O-N 3.47Å; L273-N275 VanDerWaalsContact C-N 3.32Å; N275-Y277 PolarHBondContact O-N 2.87Å; N275-Y277 VanDerWaalsContact OD1-CD2 3.29Å; N275-Y277 WeakPolarHBondContact OD1-CD2 3.23Å
276P94.3Very high96.2Very high17 Ų1773.7 Ų73.711%0.1138%0.379CS..  trans-81.349.5-17432.6-34.7000112F269 H272 R305F269-P276 HydrophobicContact CD2-CB 3.92Å; F269-P276 HydrophobicContact CE2-CB 3.67Å; F269-P276 HydrophobicContact CE2-CG 4.28Å; F269-P276 HydrophobicContact CZ-CB 4.32Å; H272-P276 WeakPolarHBondContact O-CA 3.42Å; P276-R305 HydrophobicContact CB-CG 4.27Å; P276-R305 HydrophobicContact CG-CG 3.94Å; P276-R305 WeakPolarHBondContact O-CD 3.43Å; P276-R305 PolarHBondContact O-NH1 2.86Å
277Y96.5Very high96.2Very high143 Ų14372.1 Ų72.156%0.56137%0.372SS*.  trans-123.883.4-179.2-67.5-91.6000108.7N275 R305N275-Y277 PolarHBondContact O-N 2.87Å; N275-Y277 VanDerWaalsContact OD1-CD2 3.29Å; N275-Y277 WeakPolarHBondContact OD1-CD2 3.23Å; Y277-R305 VanDerWaalsContact CE1-NE 3.33Å
278P95.8Very high96.1Very high12 Ų1274.3 Ų74.38%0.07838%0.379CS..  trans-59.7140.7178.723.4-32.5000111Y268 A282 K283 F301Y268-P278 HydrophobicContact CE1-CB 3.74Å; Y268-P278 HydrophobicContact CE1-CG 4.36Å; P278-A282 HydrophobicContact CB-CB 3.92Å; P278-K283 HydrophobicContact CB-CG 4.11Å; P278-K283 HydrophobicContact CG-CG 3.94Å; P278-K283 WeakPolarHBondContact O-CE 3.49Å; P278-F301 HydrophobicContact CG-CD1 4.15Å; P278-F301 HydrophobicContact CG-CD2 4.07Å; P278-F301 HydrophobicContact CG-CE1 4.28Å; P278-F301 HydrophobicContact CG-CE2 4.2Å; P278-F301 HydrophobicContact CG-CG 4.06Å; P278-F301 HydrophobicContact CG-CZ 4.31Å
279S96.4Very high96Very high70 Ų7078.3 Ų78.349%0.4940%0.398SS..  trans-62.6168169.8630000111E281 A282 K283S279-E281 PolarHBondContact O-N 2.99Å; S279-A282 PolarHBondContact O-N 3.38Å; S279-A282 WeakPolarHBondContact OG-CB 3.4Å; S279-A282 PolarHBondContact OG-N 3.24Å; S279-K283 WeakPolarHBondContact O-CG 3.24Å; S279-K283 PolarHBondContact O-N 3.48Å
280E95.7Very high95.9Very high103 Ų10379 Ų7948%0.48140%0.402SS..Hα-helixtrans-61.2-45.7179.6-161.159-159.200112A282 K283 E284E280-A282 VanDerWaalsContact C-N 3.34Å; E280-A282 PolarHBondContact O-N 3.28Å; E280-K283 WeakPolarHBondContact O-CB 3.38Å; E280-K283 PolarHBondContact O-N 2.77Å; E280-K283 VanDerWaalsContact O-N 3.09Å; E280-K283 IonicContact OE2-NZ 2.78Å; E280-K283 PolarHBondContact OE2-NZ 3.43Å; E280-E284 PolarHBondContact O-N 3.13Å
281E96.4Very high95.8Very high140 Ų14076.8 Ų76.865%0.65442%0.415SS*.Hα-helixtrans-56.4-44.4173.4-175177.4-158.900112.3S279 K283 E284 E285S279-E281 PolarHBondContact O-N 2.99Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 2.96Å; E281-E284 WeakPolarHBondContact O-CB 3.36Å; E281-E284 PolarHBondContact O-N 2.86Å; E281-E285 PolarHBondContact O-N 3.13Å
282A96.8Very high95.7Very high13 Ų1374.2 Ų74.211%0.10739%0.394CS..Hα-helixtrans-64.7-34.7177.500000112.5Y268 P278 S279 E280 L286Y268-A282 HydrophobicContact CE2-CB 4.4Å; P278-A282 HydrophobicContact CB-CB 3.92Å; S279-A282 PolarHBondContact O-N 3.38Å; S279-A282 WeakPolarHBondContact OG-CB 3.4Å; S279-A282 PolarHBondContact OG-N 3.24Å; E280-A282 VanDerWaalsContact C-N 3.34Å; E280-A282 PolarHBondContact O-N 3.28Å; A282-L286 WeakPolarHBondContact O-CB 3.09Å; A282-L286 VanDerWaalsContact O-CG 3.23Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.27Å
283K97.3Very high95.7Very high38 Ų3874.1 Ų74.117%0.16540%0.4CS..Hα-helixtrans-68-38.4174.6-64.9175-153.2152.30111.6P278 S279 E280 E281 L286 A287 V294 V297P278-K283 HydrophobicContact CB-CG 4.11Å; P278-K283 HydrophobicContact CG-CG 3.94Å; P278-K283 WeakPolarHBondContact O-CE 3.49Å; S279-K283 WeakPolarHBondContact O-CG 3.24Å; S279-K283 PolarHBondContact O-N 3.48Å; E280-K283 WeakPolarHBondContact O-CB 3.38Å; E280-K283 PolarHBondContact O-N 2.77Å; E280-K283 VanDerWaalsContact O-N 3.09Å; E280-K283 IonicContact OE2-NZ 2.78Å; E280-K283 PolarHBondContact OE2-NZ 3.43Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 2.96Å; K283-L286 PolarHBondContact O-N 3.13Å; K283-A287 WeakPolarHBondContact O-CB 3.43Å; K283-A287 PolarHBondContact O-N 3.39Å; K283-V294 HydrophobicContact CB-CG1 3.96Å; K283-V294 HydrophobicContact CD-CG1 4.37Å; K283-V297 HydrophobicContact CB-CG1 4.27Å; K283-V297 HydrophobicContact CG-CG1 4.27Å
284E97.3Very high95.8Very high111 Ų11173 Ų7352%0.51940%0.395SS..Hα-helixtrans-62.6-44.1175.5-70.1178.8-179.600111.4E280 E281 A287 K288 V294E280-E284 PolarHBondContact O-N 3.13Å; E281-E284 WeakPolarHBondContact O-CB 3.36Å; E281-E284 PolarHBondContact O-N 2.86Å; E284-A287 PolarHBondContact O-N 2.94Å; E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 PolarHBondContact O-N 2.77Å; E284-V294 HydrophobicContact CG-CG2 4.07Å
285E96.9Very high96Very high103 Ų10371.3 Ų71.348%0.48138%0.378SS..Hα-helixtrans-63.2-45175.3-70.6-166.6167.700112.8E281 A287 K288 K289E281-E285 PolarHBondContact O-N 3.13Å; E285-A287 VanDerWaalsContact C-N 3.35Å; E285-K288 PolarHBondContact O-N 3.48Å; E285-K289 WeakPolarHBondContact O-CG 3.35Å; E285-K289 PolarHBondContact O-N 3.33Å
286L97.3Very high96Very high7 Ų770.2 Ų70.24%0.03737%0.369CS..Hα-helixtrans-64.3-41.5178-72.8169.3000111.4V264 L265 Y268 A282 K283 K288 K289 C290 V297 F301V264-L286 HydrophobicContact CG1-CD2 3.87Å; L265-L286 HydrophobicContact CD2-CB 4.35Å; Y268-L286 HydrophobicContact CD1-CD1 4.14Å; Y268-L286 HydrophobicContact CD2-CD1 4.04Å; Y268-L286 HydrophobicContact CD2-CD2 4.18Å; Y268-L286 HydrophobicContact CD2-CG 4.46Å; Y268-L286 HydrophobicContact CE1-CD1 4.48Å; Y268-L286 HydrophobicContact CE2-CD1 4.39Å; Y268-L286 HydrophobicContact CG-CD1 3.9Å; Y268-L286 HydrophobicContact CG-CD2 4.25Å; A282-L286 WeakPolarHBondContact O-CB 3.09Å; A282-L286 VanDerWaalsContact O-CG 3.23Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.27Å; K283-L286 PolarHBondContact O-N 3.13Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.3Å; L286-K289 PolarHBondContact O-N 2.89Å; L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.38Å; L286-C290 PolarHBondContact O-N 2.9Å; L286-C290 PolarHBondContact O-SG 3.33Å; L286-V297 HydrophobicContact CB-CG1 4.17Å; L286-V297 HydrophobicContact CB-CG2 4.4Å; L286-V297 HydrophobicContact CD1-CG1 4.31Å; L286-F301 HydrophobicContact CD1-CE2 3.74Å; L286-F301 HydrophobicContact CD1-CZ 3.92Å
287A97Very high96.2Very high8 Ų869.4 Ų69.47%0.06636%0.364CS..Hα-helixtrans-57.7-46.9174.500000110.8K283 E284 E285 C290 G291 I292 V294 V297K283-A287 WeakPolarHBondContact O-CB 3.43Å; K283-A287 PolarHBondContact O-N 3.39Å; E284-A287 PolarHBondContact O-N 2.94Å; E285-A287 VanDerWaalsContact C-N 3.35Å; A287-C290 PolarHBondContact O-N 3.47Å; A287-G291 PolarHBondContact O-N 3.07Å; A287-I292 CarbonylContact C-O 3.43Å; A287-I292 WeakPolarHBondContact CA-O 3.45Å; A287-I292 VanDerWaalsContact CB-O 3.27Å; A287-I292 WeakPolarHBondContact CB-O 3.47Å; A287-I292 PolarHBondContact O-N 3.17Å; A287-I292 VanDerWaalsContact O-N 3.16Å; A287-V294 HydrophobicContact CB-CG2 3.87Å; A287-V297 HydrophobicContact CB-CG2 3.95Å
288K96.5Very high96.2Very high188 Ų18865.2 Ų65.282%0.81736%0.356SS*.Hα-helixtrans-62.7-45.4176.9-172177.7-179.5179.60112.5E284 E285 L286E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 PolarHBondContact O-N 2.77Å; E285-K288 PolarHBondContact O-N 3.48Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 3.3Å
289K95.9Very high96.2Very high134 Ų13469.1 Ų69.158%0.58338%0.376SS*.Hα-helixtrans-64.9-38.2178.6-74.5173.8-179.9169.80112.6V264 E285 L286V264-K289 HydrophobicContact CG1-CB 4.25Å; V264-K289 HydrophobicContact CG1-CD 4.47Å; E285-K289 WeakPolarHBondContact O-CG 3.35Å; E285-K289 PolarHBondContact O-N 3.33Å; L286-K289 PolarHBondContact O-N 2.89Å
290C95.3Very high96.2Very high15 Ų1567 Ų6710%0.10136%0.357CS..Hα-helixtrans-89.1-11.1-174.7-64.90000114.1A261 L286 A287 I292A261-C290 HydrophobicContact CB-CB 3.69Å; L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.38Å; L286-C290 PolarHBondContact O-N 2.9Å; L286-C290 PolarHBondContact O-SG 3.33Å; A287-C290 PolarHBondContact O-N 3.47Å; C290-I292 VanDerWaalsContact C-N 3.34Å; C290-I292 HydrophobicContact CB-CD1 3.85Å; C290-I292 HydrophobicContact CB-CG1 3.71Å; C290-I292 HydrophobicContact CB-CG2 4.5Å
291G94.5Very high96.4Very high71 Ų7162.2 Ų62.273%0.73234%0.335SS*.THydrogen-bonded Turntrans64.236.1-172.800000113.3A287A287-G291 PolarHBondContact O-N 3.07Å
292I94.7Very high96.4Very high27 Ų2756.4 Ų56.414%0.13831%0.312CS..SBendtrans-129.2169.2179.765.7-178.3000110.2F257 L265 A287 C290 Q296 V297F257-I292 HydrophobicContact CD1-CG2 4.14Å; F257-I292 HydrophobicContact CD2-CD1 4.24Å; F257-I292 HydrophobicContact CE1-CG2 4.25Å; F257-I292 HydrophobicContact CE2-CD1 3.91Å; F257-I292 HydrophobicContact CZ-CD1 4.1Å; L265-I292 HydrophobicContact CD1-CD1 3.99Å; A287-I292 CarbonylContact C-O 3.43Å; A287-I292 WeakPolarHBondContact CA-O 3.45Å; A287-I292 VanDerWaalsContact CB-O 3.27Å; A287-I292 WeakPolarHBondContact CB-O 3.47Å; A287-I292 PolarHBondContact O-N 3.17Å; A287-I292 VanDerWaalsContact O-N 3.16Å; C290-I292 VanDerWaalsContact C-N 3.34Å; C290-I292 HydrophobicContact CB-CD1 3.85Å; C290-I292 HydrophobicContact CB-CG1 3.71Å; C290-I292 HydrophobicContact CB-CG2 4.5Å; I292-Q296 HydrophobicContact CB-CB 4.26Å; I292-Q296 HydrophobicContact CD1-CB 4.37Å; I292-Q296 HydrophobicContact CG1-CB 4.46Å; I292-V297 HydrophobicContact CD1-CG2 3.77Å; I292-V297 HydrophobicContact CG1-CG2 3.85Å
293T95.1Very high96.4Very high77 Ų7759.4 Ų59.447%0.47233%0.326SS..  trans-80.3153.6-179.770.30000112.5S295 Q296 V297T293-S295 PolarHBondContact O-N 3.47Å; T293-Q296 WeakPolarHBondContact O-CA 3.49Å; T293-Q296 VanDerWaalsContact O-CB 3.32Å; T293-Q296 WeakPolarHBondContact O-CB 3.31Å; T293-Q296 PolarHBondContact O-N 2.97Å; T293-Q296 VanDerWaalsContact OG1-CG 3.31Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.46Å; T293-Q296 PolarHBondContact OG1-N 2.84Å; T293-Q296 VanDerWaalsContact OG1-N 3.16Å; T293-Q296 PolarHBondContact OG1-OE1 3.03Å; T293-V297 PolarHBondContact O-N 3.13Å
294V96.5Very high96.4Very high45 Ų4558.8 Ų58.827%0.27332%0.324SS..Hα-helixtrans-55-38173.8178.30000111.5K283 E284 A287 Q296 V297 S298K283-V294 HydrophobicContact CB-CG1 3.96Å; K283-V294 HydrophobicContact CD-CG1 4.37Å; E284-V294 HydrophobicContact CG-CG2 4.07Å; A287-V294 HydrophobicContact CB-CG2 3.87Å; V294-Q296 PolarHBondContact O-N 2.76Å; V294-V297 PolarHBondContact O-N 3.13Å; V294-S298 PolarHBondContact O-N 3.43Å
295S95.4Very high96.4Very high73 Ų7356.5 Ų56.551%0.5131%0.31SS..Hα-helixtrans-62.4-41.5174.1-176.60000112.3T293 S298 N299T293-S295 PolarHBondContact O-N 3.47Å; S295-S298 PolarHBondContact O-N 3.46Å; S295-N299 WeakPolarHBondContact O-CB 3.45Å; S295-N299 VanDerWaalsContact O-CG 3.28Å; S295-N299 PolarHBondContact O-N 2.83Å; S295-N299 PolarHBondContact O-ND2 3.37Å; S295-N299 PolarHBondContact OG-ND2 3.14Å
296Q95.3Very high96.4Very high79 Ų7956.1 Ų56.137%0.36931%0.311SS..Hα-helixtrans-63-41174.7-77.8170.7-41.700112F257 I292 T293 V294 W300F257-Q296 HydrophobicContact CE1-CB 4.34Å; F257-Q296 HydrophobicContact CE1-CG 4.42Å; F257-Q296 HydrophobicContact CZ-CB 3.88Å; F257-Q296 HydrophobicContact CZ-CG 4.33Å; I292-Q296 HydrophobicContact CB-CB 4.26Å; I292-Q296 HydrophobicContact CD1-CB 4.37Å; I292-Q296 HydrophobicContact CG1-CB 4.46Å; T293-Q296 WeakPolarHBondContact O-CA 3.49Å; T293-Q296 VanDerWaalsContact O-CB 3.32Å; T293-Q296 WeakPolarHBondContact O-CB 3.31Å; T293-Q296 PolarHBondContact O-N 2.97Å; T293-Q296 VanDerWaalsContact OG1-CG 3.31Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.46Å; T293-Q296 PolarHBondContact OG1-N 2.84Å; T293-Q296 VanDerWaalsContact OG1-N 3.16Å; T293-Q296 PolarHBondContact OG1-OE1 3.03Å; V294-Q296 PolarHBondContact O-N 2.76Å; Q296-W300 VanDerWaalsContact O-CB 3.27Å; Q296-W300 WeakPolarHBondContact O-CB 3.36Å; Q296-W300 PolarHBondContact O-N 3.49Å
297V97.3Very high96.3Very high0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-61.2-51.8173.6178.60000110.6L265 K283 L286 A287 I292 T293 V294 N299 W300 F301L265-V297 HydrophobicContact CD2-CG1 4.18Å; L265-V297 HydrophobicContact CD2-CG2 4.45Å; K283-V297 HydrophobicContact CB-CG1 4.27Å; K283-V297 HydrophobicContact CG-CG1 4.27Å; L286-V297 HydrophobicContact CB-CG1 4.17Å; L286-V297 HydrophobicContact CB-CG2 4.4Å; L286-V297 HydrophobicContact CD1-CG1 4.31Å; A287-V297 HydrophobicContact CB-CG2 3.95Å; I292-V297 HydrophobicContact CD1-CG2 3.77Å; I292-V297 HydrophobicContact CG1-CG2 3.85Å; T293-V297 PolarHBondContact O-N 3.13Å; V294-V297 PolarHBondContact O-N 3.13Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 3.04Å; V297-W300 WeakPolarHBondContact O-CB 3.36Å; V297-W300 PolarHBondContact O-N 3.45Å; V297-F301 HydrophobicContact CG1-CD2 3.7Å; V297-F301 HydrophobicContact CG1-CE2 3.76Å; V297-F301 WeakPolarHBondContact O-CD2 3.36Å; V297-F301 PolarHBondContact O-N 2.99Å
298S96.7Very high96.3Very high56 Ų5665.9 Ų65.939%0.39235%0.346SS..Hα-helixtrans-55.1-48179-174.10000111.9V294 S295 W300 F301 G302V294-S298 PolarHBondContact O-N 3.43Å; S295-S298 PolarHBondContact O-N 3.46Å; S298-W300 PolarHBondContact O-N 3.12Å; S298-F301 PolarHBondContact O-N 3.05Å; S298-G302 PolarHBondContact O-N 3Å
299N96.3Very high96.2Very high93 Ų9364.2 Ų64.250%0.49734%0.339SS..Hα-helixtrans-63.2-39.9176-75.1-41.5000112.3S295 V297 N303S295-N299 WeakPolarHBondContact O-CB 3.45Å; S295-N299 VanDerWaalsContact O-CG 3.28Å; S295-N299 PolarHBondContact O-N 2.83Å; S295-N299 PolarHBondContact O-ND2 3.37Å; S295-N299 PolarHBondContact OG-ND2 3.14Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 3.04Å; N299-N303 WeakPolarHBondContact O-CB 3.49Å; N299-N303 VanDerWaalsContact O-CG 3.26Å; N299-N303 PolarHBondContact O-N 3.49Å; N299-N303 PolarHBondContact O-ND2 3.48Å
300W97Very high96.1Very high26 Ų2664.7 Ų64.710%0.09834%0.341CS..Hα-helixtrans-63.3-47177.8-17399.2000111.2F257 L265 N266 F269 Q296 V297 S298 N303 K304F257-W300 AromaticContact CD2-CD1 3.64Å; F257-W300 HydrophobicContact CD2-CG 4.49Å; F257-W300 HydrophobicContact CE2-CB 3.99Å; F257-W300 AromaticContact CE2-CD1 3.37Å; F257-W300 AromaticContact CE2-CG 3.95Å; F257-W300 HydrophobicContact CE2-CG 3.95Å; L265-W300 HydrophobicContact CB-CD2 4.06Å; L265-W300 HydrophobicContact CB-CE3 3.97Å; L265-W300 HydrophobicContact CB-CH2 3.64Å; L265-W300 HydrophobicContact CB-CZ2 3.7Å; L265-W300 HydrophobicContact CB-CZ3 3.78Å; L265-W300 HydrophobicContact CD1-CD2 3.84Å; L265-W300 HydrophobicContact CD1-CE3 4.37Å; L265-W300 HydrophobicContact CD1-CG 3.88Å; L265-W300 HydrophobicContact CD2-CE3 4.48Å; L265-W300 HydrophobicContact CG-CD2 4.44Å; L265-W300 WeakPolarHBondContact O-CH2 3.35Å; N266-W300 WeakPolarHBondContact OD1-CH2 3.36Å; N266-W300 WeakPolarHBondContact OD1-CZ2 3.46Å; F269-W300 HydrophobicContact CB-CH2 4.28Å; F269-W300 HydrophobicContact CB-CZ3 4.19Å; F269-W300 HydrophobicContact CD2-CZ3 4.45Å; Q296-W300 VanDerWaalsContact O-CB 3.27Å; Q296-W300 WeakPolarHBondContact O-CB 3.36Å; Q296-W300 PolarHBondContact O-N 3.49Å; V297-W300 WeakPolarHBondContact O-CB 3.36Å; V297-W300 PolarHBondContact O-N 3.45Å; S298-W300 PolarHBondContact O-N 3.12Å; W300-N303 PolarHBondContact O-N 2.92Å; W300-K304 HydrophobicContact CD2-CB 4.43Å; W300-K304 HydrophobicContact CE3-CB 3.97Å; W300-K304 HydrophobicContact CE3-CG 4.43Å; W300-K304 HydrophobicContact CH2-CB 4.14Å; W300-K304 HydrophobicContact CH2-CD 3.71Å; W300-K304 HydrophobicContact CH2-CG 3.73Å; W300-K304 HydrophobicContact CZ2-CD 3.98Å; W300-K304 HydrophobicContact CZ2-CG 4.38Å; W300-K304 HydrophobicContact CZ3-CB 3.8Å; W300-K304 HydrophobicContact CZ3-CD 4.25Å; W300-K304 HydrophobicContact CZ3-CG 3.76Å; W300-K304 VanDerWaalsContact O-CB 3.24Å; W300-K304 WeakPolarHBondContact O-CB 3.39Å; W300-K304 PolarHBondContact O-N 3.32Å
301F98Very high96Very high3 Ų369 Ų691%0.01336%0.363CS..Hα-helixtrans-64.5-42.6178-87.8-86.5000112.1L265 Y268 F269 P278 L286 V297 S298 N303 K304 R305L265-F301 HydrophobicContact CD2-CE2 3.77Å; Y268-F301 AromaticContact CD1-CE1 3.73Å; Y268-F301 HydrophobicContact CD1-CE1 3.73Å; Y268-F301 AromaticContact CD1-CZ 3.49Å; Y268-F301 HydrophobicContact CD1-CZ 3.49Å; Y268-F301 VanDerWaalsContact CD1-CZ 3.49Å; Y268-F301 HydrophobicContact CE1-CE1 4.26Å; Y268-F301 HydrophobicContact CE1-CZ 4.2Å; Y268-F301 HydrophobicContact CG-CZ 4.2Å; F269-F301 HydrophobicContact CB-CE1 4.12Å; F269-F301 AromaticContact CD2-CD1 4Å; F269-F301 HydrophobicContact CD2-CD1 4Å; F269-F301 HydrophobicContact CD2-CE1 4Å; P278-F301 HydrophobicContact CG-CD1 4.15Å; P278-F301 HydrophobicContact CG-CD2 4.07Å; P278-F301 HydrophobicContact CG-CE1 4.28Å; P278-F301 HydrophobicContact CG-CE2 4.2Å; P278-F301 HydrophobicContact CG-CG 4.06Å; P278-F301 HydrophobicContact CG-CZ 4.31Å; L286-F301 HydrophobicContact CD1-CE2 3.74Å; L286-F301 HydrophobicContact CD1-CZ 3.92Å; V297-F301 HydrophobicContact CG1-CD2 3.7Å; V297-F301 HydrophobicContact CG1-CE2 3.76Å; V297-F301 WeakPolarHBondContact O-CD2 3.36Å; V297-F301 PolarHBondContact O-N 2.99Å; S298-F301 PolarHBondContact O-N 3.05Å; F301-N303 PolarHBondContact O-N 2.83Å; F301-K304 PolarHBondContact O-N 3.04Å; F301-R305 WeakPolarHBondContact O-CB 3.42Å; F301-R305 WeakPolarHBondContact O-CG 3.28Å; F301-R305 PolarHBondContact O-N 3.36Å
302G96.9Very high95.9Very high18 Ų1869.6 Ų69.619%0.18635%0.348CS..Hα-helixtrans-55.9-50.9173.300000111.9S298 K304 R305 I306S298-G302 PolarHBondContact O-N 3Å; G302-K304 PolarHBondContact O-N 3.45Å; G302-R305 PolarHBondContact O-N 2.85Å; G302-I306 WeakPolarHBondContact O-CG1 3.35Å; G302-I306 PolarHBondContact O-N 3.49Å; G302-I306 VanDerWaalsContact O-N 3.17Å
303N97.1Very high95.6Very high75 Ų7571.5 Ų71.540%0.40136%0.361SS..Hα-helixtrans-66.2-36.9178.2-72.7-45.3000113.2N299 W300 F301 R307N299-N303 WeakPolarHBondContact O-CB 3.49Å; N299-N303 VanDerWaalsContact O-CG 3.26Å; N299-N303 PolarHBondContact O-N 3.49Å; N299-N303 PolarHBondContact O-ND2 3.48Å; W300-N303 PolarHBondContact O-N 2.92Å; F301-N303 PolarHBondContact O-N 2.83Å; N303-R307 WeakPolarHBondContact O-CB 3.07Å; N303-R307 WeakPolarHBondContact O-CG 3.34Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.07Å
304K97.2Very high95.4Very high26 Ų2673.2 Ų73.211%0.11336%0.362CS..Hα-helixtrans-66.6-44.7178.3-175.775.9-179.1-164.80110.6N266 F269 Y270 W300 F301 G302 I306 R307 Y308N266-K304 PolarHBondContact OD1-NZ 2.97Å; F269-K304 HydrophobicContact CD1-CG 4.05Å; F269-K304 HydrophobicContact CD2-CB 4.24Å; F269-K304 HydrophobicContact CD2-CG 3.53Å; F269-K304 HydrophobicContact CE1-CG 4.04Å; F269-K304 HydrophobicContact CE2-CB 4.11Å; F269-K304 HydrophobicContact CE2-CG 3.5Å; F269-K304 HydrophobicContact CG-CG 3.81Å; F269-K304 HydrophobicContact CZ-CG 3.78Å; Y270-K304 PolarHBondContact OH-NZ 3.04Å; W300-K304 HydrophobicContact CD2-CB 4.43Å; W300-K304 HydrophobicContact CE3-CB 3.97Å; W300-K304 HydrophobicContact CE3-CG 4.43Å; W300-K304 HydrophobicContact CH2-CB 4.14Å; W300-K304 HydrophobicContact CH2-CD 3.71Å; W300-K304 HydrophobicContact CH2-CG 3.73Å; W300-K304 HydrophobicContact CZ2-CD 3.98Å; W300-K304 HydrophobicContact CZ2-CG 4.38Å; W300-K304 HydrophobicContact CZ3-CB 3.8Å; W300-K304 HydrophobicContact CZ3-CD 4.25Å; W300-K304 HydrophobicContact CZ3-CG 3.76Å; W300-K304 VanDerWaalsContact O-CB 3.24Å; W300-K304 WeakPolarHBondContact O-CB 3.39Å; W300-K304 PolarHBondContact O-N 3.32Å; F301-K304 PolarHBondContact O-N 3.04Å; G302-K304 PolarHBondContact O-N 3.45Å; K304-I306 PolarHBondContact O-N 3.15Å; K304-R307 PolarHBondContact O-N 3.38Å; K304-Y308 VanDerWaalsContact O-CB 3.28Å; K304-Y308 WeakPolarHBondContact O-CB 3.48Å; K304-Y308 PolarHBondContact O-N 2.97Å
305R97.6Very high95.1Very high62 Ų6273.6 Ų73.623%0.23437%0.37CS..Hα-helixtrans-59-46.7175.2-74.5-167.7-58.9-94.40.6112.3F269 P276 Y277 F301 G302 R307 Y308 K309F269-R305 HydrophobicContact CE2-CG 3.92Å; P276-R305 HydrophobicContact CB-CG 4.27Å; P276-R305 HydrophobicContact CG-CG 3.94Å; P276-R305 WeakPolarHBondContact O-CD 3.43Å; P276-R305 PolarHBondContact O-NH1 2.86Å; Y277-R305 VanDerWaalsContact CE1-NE 3.33Å; F301-R305 WeakPolarHBondContact O-CB 3.42Å; F301-R305 WeakPolarHBondContact O-CG 3.28Å; F301-R305 PolarHBondContact O-N 3.36Å; G302-R305 PolarHBondContact O-N 2.85Å; R305-R307 PolarHBondContact O-N 3.36Å; R305-Y308 PolarHBondContact O-N 3.42Å; R305-K309 WeakPolarHBondContact O-CB 3.29Å; R305-K309 PolarHBondContact O-N 3.14Å
306I96.4Very high94.8Very high96 Ų9675.2 Ų75.249%0.49237%0.369SS..Hα-helixtrans-60.2-47.6178-66.3166.4000110.6G302 K304 K310G302-I306 WeakPolarHBondContact O-CG1 3.35Å; G302-I306 PolarHBondContact O-N 3.49Å; G302-I306 VanDerWaalsContact O-N 3.17Å; K304-I306 PolarHBondContact O-N 3.15Å; I306-K310 HydrophobicContact CG2-CD 4.28Å; I306-K310 WeakPolarHBondContact O-CB 3.4Å; I306-K310 WeakPolarHBondContact O-CG 3.38Å; I306-K310 PolarHBondContact O-N 2.74Å
307R96.3Very high94.5Very high141 Ų14177.1 Ų77.153%0.53238%0.378SS..Hα-helixtrans-63.5-43.3178.6-74.3-173-68.9166.3-1.9112.3N303 K304 R305 K310 N311N303-R307 WeakPolarHBondContact O-CB 3.07Å; N303-R307 WeakPolarHBondContact O-CG 3.34Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.07Å; K304-R307 PolarHBondContact O-N 3.38Å; R305-R307 PolarHBondContact O-N 3.36Å; R307-K310 PolarHBondContact O-N 3.29Å; R307-N311 PolarHBondContact O-N 3Å
308Y96Very high94.1Very high79 Ų7981.7 Ų81.731%0.3140%0.4SS..Hα-helixtrans-62.9-48.2179.1-175.5-106000111.7F269 Y270 L273 K304 R305 K310 N311 I312F269-Y308 HydrophobicContact CE1-CD1 4.32Å; F269-Y308 HydrophobicContact CE1-CD2 4.04Å; F269-Y308 AromaticContact CE1-CG 3.93Å; F269-Y308 HydrophobicContact CE1-CG 3.93Å; F269-Y308 HydrophobicContact CZ-CD1 4.14Å; F269-Y308 HydrophobicContact CZ-CD2 4.48Å; F269-Y308 AromaticContact CZ-CG 3.91Å; F269-Y308 HydrophobicContact CZ-CG 3.91Å; Y270-Y308 HydrophobicContact CE1-CE2 4.45Å; L273-Y308 HydrophobicContact CD2-CD1 4.46Å; L273-Y308 HydrophobicContact CD2-CE1 3.68Å; L273-Y308 HydrophobicContact CD2-CE2 3.95Å; L273-Y308 WeakPolarHBondContact CD2-OH 3.47Å; K304-Y308 VanDerWaalsContact O-CB 3.28Å; K304-Y308 WeakPolarHBondContact O-CB 3.48Å; K304-Y308 PolarHBondContact O-N 2.97Å; R305-Y308 PolarHBondContact O-N 3.42Å; Y308-K310 PolarHBondContact O-N 3.34Å; Y308-N311 PolarHBondContact O-N 3.33Å; Y308-I312 HydrophobicContact CD1-CD1 3.72Å; Y308-I312 HydrophobicContact CE1-CD1 3.18Å; Y308-I312 HydrophobicContact CE1-CG1 4.28Å; Y308-I312 HydrophobicContact CE2-CD1 4.21Å; Y308-I312 HydrophobicContact CG-CD1 4.42Å; Y308-I312 VanDerWaalsContact CZ-CD1 3.45Å; Y308-I312 PolarHBondContact O-N 3.44Å
309K94.3Very high93.8Very high153 Ų15381.5 Ų81.567%0.66540%0.402SS*.Hα-helixtrans-58.8-45.7176-175.1177.2179.3179.70111.7R305 N311 I312 V313R305-K309 WeakPolarHBondContact O-CB 3.29Å; R305-K309 PolarHBondContact O-N 3.14Å; K309-N311 VanDerWaalsContact C-N 3.35Å; K309-N311 PolarHBondContact O-N 3.23Å; K309-I312 PolarHBondContact O-N 2.98Å; K309-V313 WeakPolarHBondContact O-CG2 3.34Å; K309-V313 PolarHBondContact O-N 3.47Å
310K94.5Very high93.6Very high144 Ų14481.4 Ų81.463%0.62640%0.401SS*.Hα-helixtrans-59.8-43.2177.1-76.5-175.7176.6-169.30112.4I306 R307 Y308 V313 K314I306-K310 HydrophobicContact CG2-CD 4.28Å; I306-K310 WeakPolarHBondContact O-CB 3.4Å; I306-K310 WeakPolarHBondContact O-CG 3.38Å; I306-K310 PolarHBondContact O-N 2.74Å; R307-K310 PolarHBondContact O-N 3.29Å; Y308-K310 PolarHBondContact O-N 3.34Å; K310-V313 PolarHBondContact O-N 3.15Å; K310-K314 WeakPolarHBondContact O-CB 3.4Å; K310-K314 PolarHBondContact O-N 3.02Å
311N93.5Very high93.2Very high106 Ų10686.5 Ų86.557%0.56743%0.428SS*.Hα-helixtrans-66.5-39.5178.6-74.2-15.7000112.3R307 Y308 K309 K314 A315R307-N311 PolarHBondContact O-N 3Å; Y308-N311 PolarHBondContact O-N 3.33Å; K309-N311 VanDerWaalsContact C-N 3.35Å; K309-N311 PolarHBondContact O-N 3.23Å; N311-K314 PolarHBondContact O-N 2.99Å; N311-A315 WeakPolarHBondContact O-CB 3.48Å; N311-A315 PolarHBondContact O-N 3.46Å
312I90.9Very high92.9Very high82 Ų8294.7 Ų94.742%0.42146%0.46SS..Hα-helixtrans-62.4-48.4174.8-71.9173.3000110.9Y308 K309 K314 A315 Q316Y308-I312 HydrophobicContact CD1-CD1 3.72Å; Y308-I312 HydrophobicContact CE1-CD1 3.18Å; Y308-I312 HydrophobicContact CE1-CG1 4.28Å; Y308-I312 HydrophobicContact CE2-CD1 4.21Å; Y308-I312 HydrophobicContact CG-CD1 4.42Å; Y308-I312 VanDerWaalsContact CZ-CD1 3.45Å; Y308-I312 PolarHBondContact O-N 3.44Å; K309-I312 PolarHBondContact O-N 2.98Å; I312-K314 VanDerWaalsContact C-N 3.33Å; I312-K314 PolarHBondContact O-N 3.43Å; I312-A315 PolarHBondContact O-N 2.92Å; I312-Q316 WeakPolarHBondContact O-CB 3.35Å; I312-Q316 PolarHBondContact O-N 2.95Å
313V89.7Confident92.7Very high67 Ų6796.6 Ų96.641%0.40647%0.474SS..Hα-helixtrans-59.9-45.9179.8172.30000110.4K309 K310 A315 Q316 E317K309-V313 WeakPolarHBondContact O-CG2 3.34Å; K309-V313 PolarHBondContact O-N 3.47Å; K310-V313 PolarHBondContact O-N 3.15Å; V313-A315 PolarHBondContact O-N 3.47Å; V313-Q316 PolarHBondContact O-N 3.31Å; V313-E317 HydrophobicContact CG1-CG 4.45Å; V313-E317 WeakPolarHBondContact CG1-OE1 3.35Å; V313-E317 WeakPolarHBondContact O-CG 3.34Å; V313-E317 PolarHBondContact O-N 3.22Å
314K90.8Very high92.4Very high113 Ų11396 Ų9649%0.49148%0.479SS..Hα-helixtrans-60.7-45176.8-170.3176.1-173.1-77.60112.5K310 N311 I312 Q316 E317 E318K310-K314 WeakPolarHBondContact O-CB 3.4Å; K310-K314 PolarHBondContact O-N 3.02Å; N311-K314 PolarHBondContact O-N 2.99Å; I312-K314 VanDerWaalsContact C-N 3.33Å; I312-K314 PolarHBondContact O-N 3.43Å; K314-Q316 VanDerWaalsContact C-N 3.31Å; K314-Q316 PolarHBondContact O-N 3.42Å; K314-E317 PolarHBondContact O-N 3.01Å; K314-E318 IonicContact NZ-OE1 3.05Å; K314-E318 PolarHBondContact NZ-OE1 3.49Å; K314-E318 WeakPolarHBondContact O-CG 3.32Å; K314-E318 PolarHBondContact O-N 2.67Å
315A90.2Very high92.1Very high54 Ų5497.5 Ų97.545%0.44650%0.496SS..Hα-helixtrans-64.8-36.6177.700000111.9N311 I312 V313 A319N311-A315 WeakPolarHBondContact O-CB 3.48Å; N311-A315 PolarHBondContact O-N 3.46Å; I312-A315 PolarHBondContact O-N 2.92Å; V313-A315 PolarHBondContact O-N 3.47Å; A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.28Å
316Q88.4Confident91.7Very high106 Ų10698.1 Ų98.150%0.49551%0.507SS..Hα-helixtrans-67.7-41.2174.8-172.863.746.900111.8I312 V313 K314 A319 N320I312-Q316 WeakPolarHBondContact O-CB 3.35Å; I312-Q316 PolarHBondContact O-N 2.95Å; V313-Q316 PolarHBondContact O-N 3.31Å; K314-Q316 VanDerWaalsContact C-N 3.31Å; K314-Q316 PolarHBondContact O-N 3.42Å; Q316-A319 PolarHBondContact O-N 2.97Å; Q316-N320 PolarHBondContact NE2-OD1 2.88Å; Q316-N320 VanDerWaalsContact O-CB 3.32Å; Q316-N320 WeakPolarHBondContact O-CB 3.4Å; Q316-N320 PolarHBondContact O-N 2.96Å; Q316-N320 PolarHBondContact O-OD1 3.46Å
317E88.6Confident91.4Very high119 Ų11996.4 Ų96.456%0.55651%0.507SS*.Hα-helixtrans-61.8-45.1174.8-73.6168.5174.700111.5V313 K314 N320 M321V313-E317 HydrophobicContact CG1-CG 4.45Å; V313-E317 WeakPolarHBondContact CG1-OE1 3.35Å; V313-E317 WeakPolarHBondContact O-CG 3.34Å; V313-E317 PolarHBondContact O-N 3.22Å; K314-E317 PolarHBondContact O-N 3.01Å; E317-N320 PolarHBondContact O-N 3.46Å; E317-M321 WeakPolarHBondContact O-CB 3.32Å; E317-M321 PolarHBondContact O-N 3.44Å
318E90.2Very high91Very high97 Ų9792.6 Ų92.645%0.45351%0.506SS..Hα-helixtrans-62.6-42.9176.1-72.9170.8-172.800111.7K314 M321 Y322K314-E318 IonicContact NZ-OE1 3.05Å; K314-E318 PolarHBondContact NZ-OE1 3.49Å; K314-E318 WeakPolarHBondContact O-CG 3.32Å; K314-E318 PolarHBondContact O-N 2.67Å; E318-M321 PolarHBondContact O-N 2.88Å; E318-Y322 PolarHBondContact O-N 3.14Å
319A90Very high90.5Very high52 Ų5291.8 Ų91.843%0.4352%0.515SS..Hα-helixtrans-65.1-42.3175.600000112.4A315 Q316 M321 Y322 A323A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.28Å; Q316-A319 PolarHBondContact O-N 2.97Å; A319-M321 VanDerWaalsContact C-N 3.34Å; A319-M321 PolarHBondContact O-N 2.88Å; A319-Y322 PolarHBondContact O-N 3.39Å; A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 3.41Å
320N91.6Very high90Very high90 Ų9087.6 Ų87.648%0.48151%0.509SS..Hα-helixtrans-63.6-40.5176-73.5-4.9000111.4Q316 E317 A323 A324Q316-N320 PolarHBondContact NE2-OD1 2.88Å; Q316-N320 VanDerWaalsContact O-CB 3.32Å; Q316-N320 WeakPolarHBondContact O-CB 3.4Å; Q316-N320 PolarHBondContact O-N 2.96Å; Q316-N320 PolarHBondContact O-OD1 3.46Å; E317-N320 PolarHBondContact O-N 3.46Å; N320-A323 PolarHBondContact O-N 2.89Å; N320-A324 VanDerWaalsContact O-CB 3.3Å; N320-A324 WeakPolarHBondContact O-CB 3.39Å; N320-A324 PolarHBondContact O-N 3.5Å
321M88.9Confident89.5Confident134 Ų13483.5 Ų83.566%0.6650%0.503SS*.Hα-helixtrans-64.8-43.4176.7-175.6176.764.700111.5E317 E318 A319 A324 A325E317-M321 WeakPolarHBondContact O-CB 3.32Å; E317-M321 PolarHBondContact O-N 3.44Å; E318-M321 PolarHBondContact O-N 2.88Å; A319-M321 VanDerWaalsContact C-N 3.34Å; A319-M321 PolarHBondContact O-N 2.88Å; M321-A324 PolarHBondContact O-N 3.21Å; M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 3.45Å
322Y91.2Very high88.8Confident175 Ų17581.2 Ų81.269%0.68650%0.498SS*.Hα-helixtrans-62.7-45.8175.1-171.7-94.4000111.3E318 A319 A324 A325 T326E318-Y322 PolarHBondContact O-N 3.14Å; A319-Y322 PolarHBondContact O-N 3.39Å; Y322-A324 VanDerWaalsContact C-N 3.35Å; Y322-A324 PolarHBondContact O-N 3.47Å; Y322-A325 PolarHBondContact O-N 2.91Å; Y322-T326 PolarHBondContact O-N 3.36Å; Y322-T326 PolarHBondContact O-OG1 2.86Å
323A92.5Very high88.1Confident58 Ų5880.3 Ų80.348%0.47950%0.503SS..Hα-helixtrans-60.7-41.9176.200000112.3A319 N320 T326 A327A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 3.41Å; N320-A323 PolarHBondContact O-N 2.89Å; A323-T326 PolarHBondContact O-N 3.36Å; A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.34Å
324A91.9Very high86.9Confident61 Ų6179.4 Ų79.450%0.50451%0.507SS..Hα-helixtrans-65-41.2175.900000112.1N320 M321 Y322 A327 A328N320-A324 VanDerWaalsContact O-CB 3.3Å; N320-A324 WeakPolarHBondContact O-CB 3.39Å; N320-A324 PolarHBondContact O-N 3.5Å; M321-A324 PolarHBondContact O-N 3.21Å; Y322-A324 VanDerWaalsContact C-N 3.35Å; Y322-A324 PolarHBondContact O-N 3.47Å; A324-A327 PolarHBondContact O-N 3.43Å; A324-A328 WeakPolarHBondContact O-CB 3.45Å; A324-A328 PolarHBondContact O-N 2.86Å
325A89.9Confident85.5Confident59 Ų5977.9 Ų77.949%0.48851%0.511SS..Hα-helixtrans-64.3-43.5175.500000111.7M321 Y322 A328 A329M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 3.45Å; Y322-A325 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 3.42Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 2.98Å
326T90.2Very high83.8Confident74 Ų7481.3 Ų81.345%0.45453%0.526SS..Hα-helixtrans-61.8-43.3174.3-56.50000111.4Y322 A323 A329 A330Y322-T326 PolarHBondContact O-N 3.36Å; Y322-T326 PolarHBondContact O-OG1 2.86Å; A323-T326 PolarHBondContact O-N 3.36Å; T326-A329 PolarHBondContact O-N 3.24Å; T326-A330 WeakPolarHBondContact O-CB 3.39Å; T326-A330 PolarHBondContact O-N 2.9Å
327A89.4Confident82.3Confident60 Ų6080.6 Ų80.650%0.49654%0.538SS..Hα-helixtrans-64.8-41.4176.700000112.4A323 A324 A330 A331A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.34Å; A324-A327 PolarHBondContact O-N 3.43Å; A327-A330 PolarHBondContact O-N 2.9Å; A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 3.37Å
328A87.7Confident80.6Confident61 Ų6180.2 Ų80.250%0.50455%0.548SS..Hα-helixtrans-65.4-40.9176.300000112.1A324 A325 A331 A332A324-A328 WeakPolarHBondContact O-CB 3.45Å; A324-A328 PolarHBondContact O-N 2.86Å; A325-A328 PolarHBondContact O-N 3.42Å; A328-A331 PolarHBondContact O-N 3.03Å; A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 2.89Å
329A85.3Confident78.5Confident62 Ų6278.9 Ų78.951%0.51256%0.561SS.*Hα-helixtrans-63.6-41174.500000111.9A325 T326 A332 A333A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 2.98Å; T326-A329 PolarHBondContact O-N 3.24Å; A329-A332 PolarHBondContact O-N 3.43Å; A329-A333 WeakPolarHBondContact O-CB 3.43Å; A329-A333 PolarHBondContact O-N 3.42Å
330A84.6Confident76.2Confident65 Ų6583.9 Ų83.954%0.53759%0.586SS.*Hα-helixtrans-64.4-40.6174.600000112.2T326 A327 A333 G334T326-A330 WeakPolarHBondContact O-CB 3.39Å; T326-A330 PolarHBondContact O-N 2.9Å; A327-A330 PolarHBondContact O-N 2.9Å; A330-A333 PolarHBondContact O-N 3.35Å; A330-G334 PolarHBondContact O-N 2.91Å
331A84.4Confident73.8Confident59 Ų5983.3 Ų83.349%0.48860%0.602SS.*Hα-helixtrans-65-44.4175.700000112A327 A328 A333 G334 S335A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 3.37Å; A328-A331 PolarHBondContact O-N 3.03Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A331-A333 PolarHBondContact O-N 3.01Å; A331-G334 WeakPolarHBondContact O-CA 3.45Å; A331-G334 PolarHBondContact O-N 3.37Å; A331-G334 VanDerWaalsContact O-N 3.09Å; A331-S335 PolarHBondContact O-N 2.85Å; A331-S335 PolarHBondContact O-OG 2.91Å
332A79.6Confident71.5Confident58 Ų5880.6 Ų80.648%0.47961%0.609SS.*Hα-helixtrans-61.7-39.8176.500000112.1A328 A329 G334 S335 V336A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 2.89Å; A329-A332 PolarHBondContact O-N 3.43Å; A332-G334 VanDerWaalsContact C-N 3.3Å; A332-G334 PolarHBondContact O-N 3.36Å; A332-S335 PolarHBondContact O-N 2.9Å; A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 3.32Å
333A75.8Confident69.6Low63 Ų6378.3 Ų78.352%0.52162%0.615SS.*Hα-helixtrans-64.1-33.5173.700000112.6A329 A330 A331 V336A329-A333 WeakPolarHBondContact O-CB 3.43Å; A329-A333 PolarHBondContact O-N 3.42Å; A330-A333 PolarHBondContact O-N 3.35Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A331-A333 PolarHBondContact O-N 3.01Å; A333-V336 VanDerWaalsContact O-CG2 3.25Å; A333-V336 WeakPolarHBondContact O-CG2 3.47Å
334G64.8Low67.3Low47 Ų4782.3 Ų82.349%0.48563%0.634SS.*Hα-helixtrans-70.9-36.1173.200000113.5A330 A331 A332 A337A330-G334 PolarHBondContact O-N 2.91Å; A331-G334 WeakPolarHBondContact O-CA 3.45Å; A331-G334 PolarHBondContact O-N 3.37Å; A331-G334 VanDerWaalsContact O-N 3.09Å; A332-G334 VanDerWaalsContact C-N 3.3Å; A332-G334 PolarHBondContact O-N 3.36Å; G334-A337 PolarHBondContact O-N 3.43Å
335S60.3Low64.8Low82 Ų8284.6 Ų84.657%0.57365%0.646SS**Hα-helixtrans-72.1-33.9179.7-58.80000113.5A331 A332 A337 S338A331-S335 PolarHBondContact O-N 2.85Å; A331-S335 PolarHBondContact O-OG 2.91Å; A332-S335 PolarHBondContact O-N 2.9Å; S335-A337 PolarHBondContact O-N 3.43Å; S335-S338 CarbonylContact O-C 3.58Å; S335-S338 PolarHBondContact O-N 3.46Å
336V55.5Low62.7Low125 Ų12586.4 Ų86.476%0.75866%0.655SS**THydrogen-bonded Turntrans-70.5-16.2176.4-71.80000113.9A332 A333 S338A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 3.32Å; A333-V336 VanDerWaalsContact O-CG2 3.25Å; A333-V336 WeakPolarHBondContact O-CG2 3.47Å; V336-S338 VanDerWaalsContact C-N 3.32Å
337A55.1Low60.2Low92 Ų9289.9 Ų89.976%0.7667%0.671SS**THydrogen-bonded Turntrans-80.7-11.3173.800000113.3G334 S335G334-A337 PolarHBondContact O-N 3.43Å; S335-A337 PolarHBondContact O-N 3.43Å
338S53.6Low58Low110 Ų11096.2 Ų96.277%0.76969%0.69SS**SBendtrans-130.878.4-178.2-157.80000109.9S335 V336S335-S338 CarbonylContact O-C 3.58Å; S335-S338 PolarHBondContact O-N 3.46Å; V336-S338 VanDerWaalsContact C-N 3.32Å
339G45.5Very low55.7Low70 Ų70101.6 Ų101.672%0.72271%0.705SS**  trans-170.256.4-173.300000116.1
340T42.3Very low53.6Low156 Ų156104.5 Ų104.596%0.95772%0.721SS**  trans-112.599.9160.97.40000108.4
341G42.4Very low51.6Low79 Ų79107.2 Ų107.281%0.81473%0.731SS**  trans166.9109.9173.400000113
342G39.6Very low49.3Very low77 Ų77107.8 Ų107.879%0.79474%0.742SS**  trans-81.8-168.5-166.300000118.2
343P51.3Low47.3Very low126 Ų126116.4 Ų116.482%0.81876%0.764SS**  trans-108.2157.8-140.839-33.1000115.6
344T43.5Very low45.2Very low142 Ų142116.9 Ų116.987%0.87178%0.775SS**  trans-149.9140.6154.662.50000112.4
345S40.6Very low44.1Very low109 Ų109122.1 Ų122.176%0.76279%0.786SS**  trans-48.9162.7171.152.60000114.5
346S44.4Very low43.5Very low97 Ų97123.9 Ų123.968%0.67880%0.796SS**  cis-172.6155.140.6-16.50000110.3
347D39.7Very low42.3Very low148 Ų148120.6 Ų120.679%0.79179%0.787SS**  trans34.3123.8148.8-63.6-59.4000122.8
348E41.9Very low41.6Very low193 Ų193125.8 Ų125.890%0.90279%0.788SS**  -178.4150.293.6-97.2-164.710400113.2
349H39.8Very low40.6Very low174 Ų174129.6 Ų129.681%0.80679%0.794SS**  trans-62148.5-177.4-85.2-122.4000115.3
350S41.9Very low40.2Very low122 Ų122136.5 Ų136.585%0.85380%0.8SS**  -176.2140.1112.9-165.30000112.7
351V42Very low40Very low122 Ų122135.4 Ų135.474%0.73979%0.788SS**  trans-92.9139-170.9-166.10000109.3
352G35.8Very low39.6Very low71 Ų71139 Ų13973%0.73279%0.789SS**  trans-167.394.9174.500000113.7
353Y37.8Very low39.4Very low240 Ų240139.1 Ų139.194%0.94178%0.777SS**  trans-50.5130.6169-82.9-105.7000111.7
354G32.4Very low38.9Very low72 Ų72141.1 Ų141.174%0.74278%0.778SS**  trans-154.186.9178.200000112.1
355H41.7Very low38.4Very low158 Ų158139.5 Ų139.573%0.73177%0.772SS**  trans-59.1128.8168.9-174.8-56.7000110.4G357H355-G357 PolarHBondContact ND1-N 2.96Å
356P46.3Very low38.1Very low119 Ų119141.7 Ų141.777%0.77377%0.774SS**  trans-90115.5162.930.7-22.7000108.5
357G31.5Very low37.5Very low55 Ų55145.3 Ų145.357%0.56778%0.781SS**  trans-58144.3171.900000111.1H355 E359H355-G357 PolarHBondContact ND1-N 2.96Å; G357-E359 PolarHBondContact O-N 3.09Å; G357-E359 VanDerWaalsContact O-N 3.14Å
358Y38.9Very low37.5Very low202 Ų202149.5 Ų149.579%0.79279%0.785SS**  trans-71.699.3166.846.8-83.8000107.5
359E33.5Very low37.3Very low190 Ų190146.4 Ų146.489%0.88878%0.782SS**  trans-83115.6168.8-153.916417000107.7G357 D361G357-E359 PolarHBondContact O-N 3.09Å; G357-E359 VanDerWaalsContact O-N 3.14Å; E359-D361 PolarHBondContact O-N 3.19Å
360Y36.5Very low37.6Very low215 Ų215144.6 Ų144.684%0.84378%0.783SS**  trans-76.3104.7173.5-120-97.7000107.1
361D37.5Very low37.4Very low133 Ų133143.9 Ų143.971%0.71178%0.775SS**  trans-97.5108.2163.7-159.4-82.2000109.4E359 S363E359-D361 PolarHBondContact O-N 3.19Å; D361-S363 PolarHBondContact OD1-N 3.19Å; D361-S363 PolarHBondContact OD1-OG 3.07Å; D361-S363 VanDerWaalsContact OD1-OG 3.04Å
362D34Very low37.1Very low154 Ų154146.9 Ų146.982%0.82478%0.781SS**  trans-92.284.6169.417937.1000107.7
363S36.1Very low37.3Very low79 Ų79151.8 Ų151.855%0.55279%0.787SS**  trans-172.9150.6155.9400000113.6D361D361-S363 PolarHBondContact OD1-N 3.19Å; D361-S363 PolarHBondContact OD1-OG 3.07Å; D361-S363 VanDerWaalsContact OD1-OG 3.04Å
364M41.3Very low37.4Very low169 Ų169145.6 Ų145.683%0.83378%0.779SS**  trans105.176.9167.7-49.2-144.4-179.200116.8
365S33.6Very low37.7Very low107 Ų107147.8 Ų147.875%0.74878%0.782SS**  32.2131.8105.3-34.50000118.6
366L34.1Very low37.9Very low156 Ų156145.9 Ų145.982%0.81778%0.783SS**  trans92.5105.7152.4-63.4157.2000118.4
367Q32.2Very low38.1Very low173 Ų173145.9 Ų145.981%0.80878%0.783SS**  trans52.789.2130.2-124.480.81000117.4
368R38.9Very low38.3Very low236 Ų236151.1 Ų151.189%0.89180%0.798SS**  trans-137.4134.9150.9-76.2-172.9129.8-137.4-0.1111.2
369P36.7Very low38.5Very low127 Ų127149.2 Ų149.283%0.82580%0.796SS**PPolyproline II helixtrans-77.4140.9-179.230.9-30.1000110.7
370V46.3Very low38.5Very low137 Ų137147.8 Ų147.883%0.8380%0.795SS**PPolyproline II helixtrans-78.8132178.7-162.80000109.3Q372V370-Q372 PolarHBondContact O-N 3.28Å
371P38.8Very low38.9Very low106 Ų106142.3 Ų142.369%0.68878%0.784SS**PPolyproline II helixtrans-69.6127.4171.8-12.727.5000110.3M373P371-M373 PolarHBondContact O-N 3.46Å; P371-M373 VanDerWaalsContact O-N 3.14Å
372Q34.3Very low38.8Very low185 Ų185147.9 Ų147.986%0.86480%0.795SS**  trans-62.7111.1167.7-85.5-167.6-77.600109.4V370V370-Q372 PolarHBondContact O-N 3.28Å
373M40.6Very low39.4Very low174 Ų174149.4 Ų149.486%0.85780%0.8SS**  trans-105.8110.6161.7-71.7-93.698.300107.2P371P371-M373 PolarHBondContact O-N 3.46Å; P371-M373 VanDerWaalsContact O-N 3.14Å
374S40.2Very low39.5Very low111 Ų111149.3 Ų149.378%0.77681%0.811SS**PPolyproline II helixtrans-60132.8178.5-49.70000111.2
375C39.1Very low39.4Very low118 Ų118145.4 Ų145.480%0.79781%0.814SS**PPolyproline II helixtrans-66.6139171.9-59.20000110.5
376P45.5Very low39.7Very low117 Ų117144.3 Ų144.376%0.7682%0.82SS**PPolyproline II helixtrans-74.5144.8166.831-29.4000109.7
377P49.8Very low40Very low120 Ų120140.5 Ų140.578%0.77982%0.818SS**PPolyproline II helixtrans-79.9148.5179.532.7-31.9000111.5H379P377-H379 PolarHBondContact O-N 3.2Å
378D37.3Very low40.7Very low164 Ų164137.8 Ų137.888%0.87783%0.825SS**PPolyproline II helixtrans-55.2126.9170.1-64.2-58.3000110.9
379H41.9Very low40.8Very low163 Ų163130 Ų13076%0.75582%0.818SS**  trans-113.280.6173.6-163.3-81.4000110P377 T381P377-H379 PolarHBondContact O-N 3.2Å; H379-T381 WeakPolarHBondContact CE1-CB 3.25Å; H379-T381 PolarHBondContact CE1-OG1 3.46Å; H379-T381 PolarHBondContact O-N 3.32Å
380D33.5Very low41.3Very low159 Ų159129.9 Ų129.985%0.8582%0.815SS**  trans-75.2105.9151.3-92.5-53.8000107.5
381T44.3Very low41.2Very low101 Ų101131.3 Ų131.362%0.6282%0.817SS**  trans-144.1115.4158.1-51.80000110.8H379H379-T381 WeakPolarHBondContact CE1-CB 3.25Å; H379-T381 PolarHBondContact CE1-OG1 3.46Å; H379-T381 PolarHBondContact O-N 3.32Å
382W37Very low41.4Very low249 Ų249129.6 Ų129.694%0.94382%0.819SS**  trans-81.3126.4176.9-164.8-4.2000109.5
383M46.2Very low41.9Very low187 Ų187127.4 Ų127.492%0.92182%0.82SS**  trans-167.5131.1151.1-73.4-138.8-163.300105.3
384G37.6Very low42Very low77 Ų77122.6 Ų122.679%0.79482%0.815SS**  cis136115.919.900000107.3
385G38.7Very low42.1Very low87 Ų87122.5 Ų122.590%0.89782%0.815SS**  trans106.6131.5169.600000114.8
386G40.1Very low42.1Very low84 Ų84124.1 Ų124.187%0.86682%0.815SS**  cis161.6146.82.700000109.7
387G40.3Very low41.9Very low76 Ų76124.9 Ų124.978%0.78481%0.812SS**  trans111.291.3166.300000114.9
388A47Very low41.6Very low115 Ų115127.9 Ų127.995%0.9582%0.816SS**  73.5129.182.800000112.9
389G42Very low42.2Very low72 Ų72125 Ų12574%0.74281%0.806SS**  cis-157.1-169.9-000000106.5
390V46Very low42.3Very low125 Ų125124.3 Ų124.376%0.75881%0.808SS**  cis-176.9137.119.2114.90000106
391L44.3Very low42.6Very low168 Ų168121.3 Ų121.388%0.8880%0.798SS**  trans57.7136.4150-48.8174.2000119.7
392G43.2Very low42.7Very low70 Ų70125.6 Ų125.672%0.72281%0.808SS**  cis173.1177.615.400000109.3
393P46.2Very low43.1Very low138 Ų138124.4 Ų124.490%0.89680%0.804SS**  trans-116.8169.1-14339.9-30.1000116.5
394G41Very low42.9Very low73 Ų73120.3 Ų120.375%0.75379%0.793SS**  trans132.9137.9142.900000119.5
395S42.2Very low43.3Very low110 Ų110126.3 Ų126.377%0.76980%0.797SS**  trans79103.8155.5-138.50000117.9
396L40.1Very low43.6Very low151 Ų151134.2 Ų134.279%0.79182%0.818SS**  72133.481.3-90.8164.6000114.9
397D41.3Very low43.8Very low133 Ų133136.8 Ų136.871%0.71182%0.816SS**  trans96.297.9160.3-61.9-54.3000121.1
398E43.7Very low44Very low184 Ų184139.9 Ų139.986%0.8682%0.817SS**  69.9151.3123.2-85.2-147.723.200124.5
399P48.7Very low43.8Very low104 Ų104141.3 Ų141.368%0.67581%0.81SS**  trans-107.3162.3-154.441.1-31.4000113.1
400D43.9Very low43.9Very low148 Ų148145.4 Ų145.479%0.79181%0.814SS**  trans-156.7135.7151.6-144.7-9.7000115.2
401C41Very low43.8Very low95 Ų95146.7 Ų146.764%0.64282%0.818SS**  trans52.2145141.7-102.50000124.9
402K46.9Very low43.8Very low191 Ų191145.3 Ų145.383%0.8381%0.813SS**  trans99.1134.4154.3-65.1150.9-172.7-179.10114.3
403R44.5Very low43.8Very low225 Ų225150.6 Ų150.685%0.84982%0.82SS**  cis-179.7148.87.3163171.3-171.3-164.82.8109.7
404S41.6Very low43.6Very low100 Ų100151.6 Ų151.670%0.69981%0.814SS**  trans35.6127.1153.3-61.50000121.8
405K46.7Very low43.8Very low203 Ų203158.2 Ų158.288%0.88382%0.819SS**  -160.8130.9123.5-105.1172.1-175.1-178.50109.8
406L45.5Very low44Very low254 Ų254162.5 Ų162.5100%1.3382%0.824SS**  trans103.40179.8-67.3156.5000115.4

Retrieved 406 of 406 residues in 155.5 ms (Link to these results)