A0A5K4FA33_SCHMA Loading...

Endoplasmic reticulum junction formation protein lunapark

Plays a role in determining ER morphology.

AlphaFold DB , UniProt , Accession A0A5K4FA33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 382 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
1M58.6Low73.4Confident206 Ų206139.6 Ų139.6100%1.01565%0.646SS**  0-30.70-78.1-176.6-134.200115A4 K5M1-A4 PolarHBondContact O-N 2.95Å; M1-K5 PolarHBondContact O-N 3.43Å
2S74.1Confident72.6Confident79 Ų79142.6 Ų142.655%0.55266%0.656SS**Hα-helixtrans-62.8-45.7-179.4174.10000114.1A4 K5 K6S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 3.46Å; S2-K5 PolarHBondContact O-N 3.41Å; S2-K6 PolarHBondContact O-N 3.38Å; S2-K6 VanDerWaalsContact O-N 3.07Å
3W78Confident71.8Confident219 Ų219139.7 Ų139.783%0.8364%0.641SS**Hα-helixtrans-61.1-39.2177.7-103.264.3000113.4K5 K6 Y7W3-K5 PolarHBondContact O-N 3.46Å; W3-K6 PolarHBondContact O-N 3.15Å; W3-Y7 WeakPolarHBondContact O-CB 3.37Å; W3-Y7 PolarHBondContact O-N 3.04Å
4A77.9Confident70.8Confident59 Ų59134.8 Ų134.849%0.48865%0.648SS.*Hα-helixtrans-65.5-37.7178.100000112.5M1 S2 Y7 L8M1-A4 PolarHBondContact O-N 2.95Å; S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 3.46Å; A4-Y7 PolarHBondContact O-N 2.91Å; A4-L8 WeakPolarHBondContact O-CB 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å
5K78Confident69.8Low160 Ų160132.4 Ų132.470%0.69665%0.651SS**Hα-helixtrans-67.4-41.7174.1-71.1-173.7177-174.90111.8M1 S2 W3 Y7 L8 F9M1-K5 PolarHBondContact O-N 3.43Å; S2-K5 PolarHBondContact O-N 3.41Å; W3-K5 PolarHBondContact O-N 3.46Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; K5-L8 PolarHBondContact O-N 3.32Å; K5-F9 VanDerWaalsContact O-CB 3.32Å; K5-F9 WeakPolarHBondContact O-CB 3.4Å; K5-F9 PolarHBondContact O-N 3.04Å
6K76.2Confident69.3Low147 Ų147136.7 Ų136.764%0.63967%0.665SS**Hα-helixtrans-61.7-43.2174.2-70.2-172.9178-168.80111.6S2 W3 F9 W10S2-K6 PolarHBondContact O-N 3.38Å; S2-K6 VanDerWaalsContact O-N 3.07Å; W3-K6 PolarHBondContact O-N 3.15Å; K6-F9 PolarHBondContact O-N 3.32Å; K6-W10 WeakPolarHBondContact O-CB 3.48Å; K6-W10 PolarHBondContact O-N 2.97Å
7Y79Confident69.3Low146 Ų146135.4 Ų135.457%0.57366%0.655SS**Hα-helixtrans-65.8-43.7178.5-165.6-102.9000112.2W3 A4 K5 W10 I11W3-Y7 WeakPolarHBondContact O-CB 3.37Å; W3-Y7 PolarHBondContact O-N 3.04Å; A4-Y7 PolarHBondContact O-N 2.91Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; Y7-W10 PolarHBondContact O-N 2.97Å; Y7-I11 HydrophobicContact CD1-CD1 3.77Å; Y7-I11 HydrophobicContact CE1-CD1 3.45Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.45Å; Y7-I11 HydrophobicContact CE1-CG1 4.41Å; Y7-I11 WeakPolarHBondContact O-CG1 3.45Å; Y7-I11 PolarHBondContact O-N 2.98Å
8L74.9Confident70.1Confident100 Ų100130.8 Ų130.852%0.52464%0.639SS.*Hα-helixtrans-64.9-39.5174.8-85164.2000112.7A4 K5 W10 I11 F12A4-L8 WeakPolarHBondContact O-CB 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å; K5-L8 PolarHBondContact O-N 3.32Å; L8-W10 VanDerWaalsContact C-N 3.34Å; L8-I11 PolarHBondContact O-N 3.18Å; L8-F12 PolarHBondContact O-N 2.79Å
9F71.4Confident70.9Confident146 Ų146126.2 Ų126.264%0.6462%0.617SS**Hα-helixtrans-64.4-38.9175.4-172.4-99.5000111.8K5 K6 F12 K13K5-F9 VanDerWaalsContact O-CB 3.32Å; K5-F9 WeakPolarHBondContact O-CB 3.4Å; K5-F9 PolarHBondContact O-N 3.04Å; K6-F9 PolarHBondContact O-N 3.32Å; F9-F12 PolarHBondContact O-N 3.06Å; F9-K13 HydrophobicContact CE1-CD 4.29Å; F9-K13 WeakPolarHBondContact O-CB 3.28Å; F9-K13 PolarHBondContact O-N 2.97Å
10W69.8Low71.7Confident187 Ų187121.8 Ų121.871%0.70860%0.597SS**Hα-helixtrans-63.8-40.4174.4-172.483.3000112.3K6 Y7 L8K6-W10 WeakPolarHBondContact O-CB 3.48Å; K6-W10 PolarHBondContact O-N 2.97Å; Y7-W10 PolarHBondContact O-N 2.97Å; L8-W10 VanDerWaalsContact C-N 3.34Å
11I69.5Low72.4Confident87 Ų87118.4 Ų118.445%0.44658%0.582SS.*Hα-helixtrans-67.1-42.9175.9-70.5174.6000111.7Y7 L8 G14Y7-I11 HydrophobicContact CD1-CD1 3.77Å; Y7-I11 HydrophobicContact CE1-CD1 3.45Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.45Å; Y7-I11 HydrophobicContact CE1-CG1 4.41Å; Y7-I11 WeakPolarHBondContact O-CG1 3.45Å; Y7-I11 PolarHBondContact O-N 2.98Å; L8-I11 PolarHBondContact O-N 3.18Å; I11-G14 PolarHBondContact O-N 2.74Å
12F63.9Low73.8Confident175 Ų175114.8 Ų114.877%0.76856%0.557SS**Hα-helixtrans-74.9-21.5-179.6-98.3-87.8000113.8L8 F9 G14L8-F12 PolarHBondContact O-N 2.79Å; F9-F12 PolarHBondContact O-N 3.06Å; F12-G14 PolarHBondContact O-N 2.69Å; F12-G14 VanDerWaalsContact O-N 3.15Å
13K62.6Low74.6Confident105 Ų105111 Ų11146%0.45753%0.531SS..THydrogen-bonded Turntrans-80.122.6171.7-155.7175.2173.4177.70112.7F9 S15 D21F9-K13 HydrophobicContact CE1-CD 4.29Å; F9-K13 WeakPolarHBondContact O-CB 3.28Å; F9-K13 PolarHBondContact O-N 2.97Å; K13-S15 PolarHBondContact O-N 3.46Å; K13-D21 WeakPolarHBondContact CE-OD2 3.46Å; K13-D21 IonicContact NZ-OD2 2.95Å; K13-D21 PolarHBondContact NZ-OD2 3.32Å
14G56.8Low75.2Confident71 Ų71104.2 Ų104.273%0.73251%0.508SS*.  trans-66.78.1170.500000115.5I11 F12I11-G14 PolarHBondContact O-N 2.74Å; F12-G14 PolarHBondContact O-N 2.69Å; F12-G14 VanDerWaalsContact O-N 3.15Å
15S56.3Low75.8Confident99 Ų99105 Ų10569%0.69250%0.504SS*.SBendtrans-74.6131.5166.3-167.10000108.7K13 K17K13-S15 PolarHBondContact O-N 3.46Å; S15-K17 PolarHBondContact O-N 3.48Å
16K61.2Low76.4Confident201 Ų20198 Ų9887%0.87447%0.474SS*.  trans-38.9112.2-178.9-61.9174.9-177.2178.10109.7S18K16-S18 PolarHBondContact O-N 3.38Å
17K70.5Confident77.2Confident114 Ų11492.6 Ų92.650%0.49645%0.452SS..  trans-49.1127.9178.6-71.4-177.3176.2-175.70107.6S15 D21 D25S15-K17 PolarHBondContact O-N 3.48Å; K17-D21 HydrophobicContact CB-CB 4.31Å; K17-D25 IonicContact NZ-OD2 2.67Å; K17-D25 PolarHBondContact NZ-OD2 3.25Å
18S83Confident77.8Confident53 Ų5390.2 Ų90.237%0.37145%0.45SS..  trans-57.1151.3175.190.20000108.4K16 V20 D21 R22K16-S18 PolarHBondContact O-N 3.38Å; S18-V20 PolarHBondContact O-N 2.88Å; S18-V20 PolarHBondContact OG-N 3.31Å; S18-D21 WeakPolarHBondContact O-CB 3.28Å; S18-D21 PolarHBondContact O-N 2.67Å; S18-D21 PolarHBondContact OG-N 3.25Å; S18-D21 PolarHBondContact OG-OD1 3Å; S18-R22 PolarHBondContact O-N 3.03Å
19I85.6Confident78.7Confident43 Ų4389.3 Ų89.322%0.22144%0.443CS..Hα-helixtrans-56.4-38.7179.2-62.4172.9000109.7R22 L23 L124 V128I19-R22 PolarHBondContact O-N 2.96Å; I19-L23 HydrophobicContact CG2-CD1 3.5Å; I19-L23 VanDerWaalsContact CG2-CD1 3.5Å; I19-L23 WeakPolarHBondContact O-CD1 3.26Å; I19-L23 PolarHBondContact O-N 3.07Å; I19-L124 HydrophobicContact CG2-CD1 4.02Å; I19-L124 HydrophobicContact CG2-CD2 4.42Å; I19-L124 HydrophobicContact CG2-CG 3.95Å; I19-V128 HydrophobicContact CB-CG2 4.34Å; I19-V128 HydrophobicContact CD1-CG2 4.45Å; I19-V128 HydrophobicContact CG2-CG2 3.28Å
20V86.7Confident79.7Confident38 Ų3883.1 Ų83.123%0.2342%0.416CS..Hα-helixtrans-60.7-47.7174.7-178.50000112.1S18 R22 L23 E24 I140 F144S18-V20 PolarHBondContact O-N 2.88Å; S18-V20 PolarHBondContact OG-N 3.31Å; V20-R22 PolarHBondContact O-N 3.05Å; V20-L23 PolarHBondContact O-N 2.95Å; V20-L23 VanDerWaalsContact O-N 3.17Å; V20-E24 PolarHBondContact O-N 2.63Å; V20-I140 HydrophobicContact CG2-CD1 3.86Å; V20-I140 HydrophobicContact CG2-CG1 3.96Å; V20-F144 HydrophobicContact CG1-CE2 4.09Å; V20-F144 HydrophobicContact CG1-CZ 4.16Å
21D87Confident80.8Confident51 Ų5179.2 Ų79.227%0.27341%0.409SS..Hα-helixtrans-58.6-35.1176.4-73.842.1000111K13 K17 S18 D25K13-D21 WeakPolarHBondContact CE-OD2 3.46Å; K13-D21 IonicContact NZ-OD2 2.95Å; K13-D21 PolarHBondContact NZ-OD2 3.32Å; K17-D21 HydrophobicContact CB-CB 4.31Å; S18-D21 WeakPolarHBondContact O-CB 3.28Å; S18-D21 PolarHBondContact O-N 2.67Å; S18-D21 PolarHBondContact OG-N 3.25Å; S18-D21 PolarHBondContact OG-OD1 3Å; D21-D25 WeakPolarHBondContact O-CB 3.39Å; D21-D25 PolarHBondContact O-N 3.17Å
22R88.1Confident81.9Confident131 Ų13180.9 Ų80.949%0.49441%0.414SS..Hα-helixtrans-76-35.3179-170.7177.5-175.4-168.7-0.4112.5S18 I19 V20 I26 L124S18-R22 PolarHBondContact O-N 3.03Å; I19-R22 PolarHBondContact O-N 2.96Å; V20-R22 PolarHBondContact O-N 3.05Å; R22-I26 HydrophobicContact CG-CD1 4.36Å; R22-I26 WeakPolarHBondContact O-CD1 3.27Å; R22-I26 VanDerWaalsContact O-CG1 3.26Å; R22-I26 WeakPolarHBondContact O-CG1 3.06Å; R22-I26 PolarHBondContact O-N 3.32Å; R22-I26 VanDerWaalsContact O-N 3.15Å; R22-L124 HydrophobicContact CB-CD2 3.95Å; R22-L124 HydrophobicContact CG-CD2 3.72Å
23L90Very high83.3Confident0 Ų073.3 Ų73.30%038%0.382CS..Hα-helixtrans-64.8-42.2171.2-88.689.3000111.1I19 V20 I26 D27 L124 L125 V128 I140 F144I19-L23 HydrophobicContact CG2-CD1 3.5Å; I19-L23 VanDerWaalsContact CG2-CD1 3.5Å; I19-L23 WeakPolarHBondContact O-CD1 3.26Å; I19-L23 PolarHBondContact O-N 3.07Å; V20-L23 PolarHBondContact O-N 2.95Å; V20-L23 VanDerWaalsContact O-N 3.17Å; L23-I26 PolarHBondContact O-N 2.95Å; L23-D27 PolarHBondContact O-N 3.17Å; L23-L124 HydrophobicContact CD1-CB 4.25Å; L23-L124 HydrophobicContact CD1-CD2 3.37Å; L23-L124 HydrophobicContact CD1-CG 3.51Å; L23-L124 HydrophobicContact CG-CD2 3.94Å; L23-L124 HydrophobicContact CG-CG 4.34Å; L23-L125 HydrophobicContact CD2-CD2 3.57Å; L23-L125 HydrophobicContact CD2-CG 4.01Å; L23-V128 HydrophobicContact CD1-CG2 4.48Å; L23-I140 HydrophobicContact CD2-CG2 3.87Å; L23-F144 HydrophobicContact CB-CD1 3.89Å; L23-F144 HydrophobicContact CB-CD2 4.2Å; L23-F144 HydrophobicContact CB-CE1 3.73Å; L23-F144 HydrophobicContact CB-CE2 4.05Å; L23-F144 HydrophobicContact CB-CG 4.13Å; L23-F144 HydrophobicContact CB-CZ 3.81Å; L23-F144 HydrophobicContact CD2-CB 3.69Å; L23-F144 HydrophobicContact CD2-CD1 4.09Å; L23-F144 HydrophobicContact CD2-CD2 3.57Å; L23-F144 HydrophobicContact CD2-CE2 4.18Å; L23-F144 HydrophobicContact CD2-CG 3.52Å; L23-F144 HydrophobicContact CG-CG 4.46Å
24E89.9Confident84.7Confident75 Ų7570.6 Ų70.635%0.3537%0.371SS..Hα-helixtrans-63.1-44.2177.8-167.2164.5-135.100111.4V20 I26 D27 D28 R143 F144V20-E24 PolarHBondContact O-N 2.63Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 2.93Å; E24-D27 PolarHBondContact O-N 3.46Å; E24-D28 WeakPolarHBondContact O-CB 3.35Å; E24-D28 PolarHBondContact O-N 3.2Å; E24-R143 IonicContact OE1-CZ 3.87Å; E24-R143 IonicContact OE1-NH2 3.66Å; E24-R143 PolarHBondContact OE1-NH2 3.03Å; E24-F144 HydrophobicContact CB-CE1 4.34Å; E24-F144 HydrophobicContact CB-CZ 4.37Å
25D91Very high86.3Confident75 Ų7570.1 Ų70.140%0.40136%0.357SS..Hα-helixtrans-59.3-39.5174.7-161.340.5000112.4K17 D21 E29K17-D25 IonicContact NZ-OD2 2.67Å; K17-D25 PolarHBondContact NZ-OD2 3.25Å; D21-D25 WeakPolarHBondContact O-CB 3.39Å; D21-D25 PolarHBondContact O-N 3.17Å; D25-E29 WeakPolarHBondContact O-CB 3.48Å; D25-E29 PolarHBondContact O-N 2.99Å
26I91.7Very high87.9Confident14 Ų1468.9 Ų68.97%0.07234%0.342CS..Hα-helixtrans-70.4-41.5177.3-68.5166.1000111.2R22 L23 E24 E29 I30 L117 K121 L124R22-I26 HydrophobicContact CG-CD1 4.36Å; R22-I26 WeakPolarHBondContact O-CD1 3.27Å; R22-I26 VanDerWaalsContact O-CG1 3.26Å; R22-I26 WeakPolarHBondContact O-CG1 3.06Å; R22-I26 PolarHBondContact O-N 3.32Å; R22-I26 VanDerWaalsContact O-N 3.15Å; L23-I26 PolarHBondContact O-N 2.95Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 2.93Å; I26-E29 PolarHBondContact O-N 3.42Å; I26-I30 HydrophobicContact CG2-CD1 3.8Å; I26-I30 HydrophobicContact CG2-CG1 4.4Å; I26-I30 WeakPolarHBondContact O-CB 3.33Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 2.92Å; I26-L117 HydrophobicContact CG2-CB 4.3Å; I26-L117 HydrophobicContact CG2-CD2 4.32Å; I26-K121 HydrophobicContact CG2-CB 3.91Å; I26-L124 HydrophobicContact CD1-CD2 3.99Å
27D91.4Very high89.2Confident33 Ų3363.5 Ų63.518%0.17632%0.316CS..Hα-helixtrans-67.6-41.7178.6-85.40.3000111.9L23 E24 E29 I30 L31 K121 F144L23-D27 PolarHBondContact O-N 3.17Å; E24-D27 PolarHBondContact O-N 3.46Å; D27-E29 VanDerWaalsContact C-N 3.35Å; D27-E29 PolarHBondContact O-N 3.4Å; D27-I30 PolarHBondContact O-N 2.85Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 3.48Å; D27-K121 WeakPolarHBondContact OD1-CD 3.31Å; D27-K121 WeakPolarHBondContact OD1-CE 3.29Å; D27-K121 IonicContact OD1-NZ 2.8Å; D27-K121 PolarHBondContact OD1-NZ 2.85Å; D27-K121 IonicContact OD2-NZ 2.78Å; D27-K121 PolarHBondContact OD2-NZ 2.86Å; D27-F144 VanDerWaalsContact OD2-CD1 3.32Å; D27-F144 WeakPolarHBondContact OD2-CD1 3.03Å
28D92Very high90.1Very high97 Ų9761 Ų6152%0.51931%0.313SS..Hα-helixtrans-60.4-44173.2-73.9-15.4000111.1E24 I30 L31 E32E24-D28 WeakPolarHBondContact O-CB 3.35Å; E24-D28 PolarHBondContact O-N 3.2Å; D28-I30 PolarHBondContact O-N 3.06Å; D28-L31 PolarHBondContact O-N 3.06Å; D28-E32 WeakPolarHBondContact O-CB 3.3Å; D28-E32 PolarHBondContact O-N 3.42Å
29E94Very high90.4Very high81 Ų8161.3 Ų61.338%0.37932%0.315SS..Hα-helixtrans-66.2-36.2177.2-167.3178.8171.900112.1D25 I26 D27 L33 L117D25-E29 WeakPolarHBondContact O-CB 3.48Å; D25-E29 PolarHBondContact O-N 2.99Å; I26-E29 PolarHBondContact O-N 3.42Å; D27-E29 VanDerWaalsContact C-N 3.35Å; D27-E29 PolarHBondContact O-N 3.4Å; E29-L33 HydrophobicContact CG-CD1 4.18Å; E29-L33 WeakPolarHBondContact O-CB 3.29Å; E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.37Å; E29-L117 HydrophobicContact CB-CD1 4.15Å; E29-L117 HydrophobicContact CG-CD1 3.63Å; E29-L117 HydrophobicContact CG-CD2 4.42Å; E29-L117 WeakPolarHBondContact OE2-CD2 3.48Å
30I93.2Very high90.5Very high15 Ų1559.9 Ų59.98%0.07731%0.309CS..Hα-helixtrans-63.5-48.7174.2-72.6166.3000110.1I26 D27 D28 E32 L33 E34 L117 R118 K121I26-I30 HydrophobicContact CG2-CD1 3.8Å; I26-I30 HydrophobicContact CG2-CG1 4.4Å; I26-I30 WeakPolarHBondContact O-CB 3.33Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 2.92Å; D27-I30 PolarHBondContact O-N 2.85Å; D28-I30 PolarHBondContact O-N 3.06Å; I30-E32 PolarHBondContact O-N 3.44Å; I30-L33 PolarHBondContact O-N 2.97Å; I30-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.31Å; I30-E34 WeakPolarHBondContact O-CB 3.48Å; I30-E34 VanDerWaalsContact O-CG 3.31Å; I30-E34 WeakPolarHBondContact O-CG 3.43Å; I30-E34 PolarHBondContact O-N 3.38Å; I30-L117 HydrophobicContact CD1-CB 4.15Å; I30-L117 HydrophobicContact CG1-CB 3.77Å; I30-L117 HydrophobicContact CG1-CD1 4.33Å; I30-R118 HydrophobicContact CD1-CG 4.03Å; I30-K121 HydrophobicContact CD1-CD 4.41Å
31L92.4Very high90.4Very high106 Ų10659.4 Ų59.456%0.55531%0.305SS*.Hα-helixtrans-62.5-42.7179.7-71.3174.1000111.9D27 D28 E34 S35D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 3.48Å; D28-L31 PolarHBondContact O-N 3.06Å; L31-E34 PolarHBondContact O-N 3Å; L31-S35 WeakPolarHBondContact O-CB 3.32Å; L31-S35 PolarHBondContact O-N 3.16Å; L31-S35 PolarHBondContact O-OG 2.96Å
32E92.8Very high90.4Very high121 Ų12161.2 Ų61.257%0.56532%0.315SS*.Hα-helixtrans-60-49.8175.4-173.3176.7-168.200110.4D28 I30 E34 S35 D36D28-E32 WeakPolarHBondContact O-CB 3.3Å; D28-E32 PolarHBondContact O-N 3.42Å; I30-E32 PolarHBondContact O-N 3.44Å; E32-E34 VanDerWaalsContact C-N 3.32Å; E32-E34 PolarHBondContact O-N 3.31Å; E32-S35 PolarHBondContact O-N 2.77Å; E32-S35 PolarHBondContact O-OG 3.23Å; E32-D36 WeakPolarHBondContact O-CB 3.35Å; E32-D36 PolarHBondContact O-N 2.88Å
33L92.7Very high90.3Very high17 Ų1757.2 Ų57.29%0.08931%0.307CS..Hα-helixtrans-64.1-33.6179.2-73171.2000113.4E29 I30 R37 T110 K113 L117E29-L33 HydrophobicContact CG-CD1 4.18Å; E29-L33 WeakPolarHBondContact O-CB 3.29Å; E29-L33 WeakPolarHBondContact O-CG 3.48Å; E29-L33 PolarHBondContact O-N 3.37Å; I30-L33 PolarHBondContact O-N 2.97Å; L33-R37 WeakPolarHBondContact O-CB 3.47Å; L33-R37 PolarHBondContact O-N 3.08Å; L33-T110 HydrophobicContact CB-CG2 4.38Å; L33-T110 HydrophobicContact CD2-CG2 4.18Å; L33-K113 HydrophobicContact CD1-CB 4.12Å; L33-K113 HydrophobicContact CD2-CD 4.47Å; L33-L117 HydrophobicContact CD1-CD1 3.32Å
34E92Very high90.1Very high47 Ų4760.1 Ų60.122%0.2232%0.32CS..Hα-helixtrans-69.4-42.3175.6-76.4174.5175.800111.5I30 L31 E32 R37 S38 L114 R118I30-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.31Å; I30-E34 WeakPolarHBondContact O-CB 3.48Å; I30-E34 VanDerWaalsContact O-CG 3.31Å; I30-E34 WeakPolarHBondContact O-CG 3.43Å; I30-E34 PolarHBondContact O-N 3.38Å; L31-E34 PolarHBondContact O-N 3Å; E32-E34 VanDerWaalsContact C-N 3.32Å; E32-E34 PolarHBondContact O-N 3.31Å; E34-R37 PolarHBondContact O-N 3.37Å; E34-S38 PolarHBondContact O-N 3.3Å; E34-S38 PolarHBondContact O-OG 3.49Å; E34-L114 HydrophobicContact CG-CD1 3.49Å; E34-L114 VanDerWaalsContact CG-CD1 3.49Å; E34-R118 IonicContact OE1-CZ 2.9Å; E34-R118 IonicContact OE1-NE 3.48Å; E34-R118 IonicContact OE1-NH2 2.77Å; E34-R118 PolarHBondContact OE1-NH2 2.86Å
35S91.9Very high90Very high62 Ų6261.7 Ų61.743%0.43433%0.326SS..Hα-helixtrans-65.9-3817479.10000112.6L31 E32 S38 S39L31-S35 WeakPolarHBondContact O-CB 3.32Å; L31-S35 PolarHBondContact O-N 3.16Å; L31-S35 PolarHBondContact O-OG 2.96Å; E32-S35 PolarHBondContact O-N 2.77Å; E32-S35 PolarHBondContact O-OG 3.23Å; S35-S38 PolarHBondContact O-OG 3.42Å; S35-S39 WeakPolarHBondContact O-CB 3.26Å; S35-S39 PolarHBondContact O-N 2.91Å; S35-S39 PolarHBondContact O-OG 3.45Å
36D88.9Confident89.8Confident73 Ų7363.5 Ų63.539%0.3933%0.332SS..Hα-helixtrans-68.5-36174.6-901000111.6E32 S39 S40E32-D36 WeakPolarHBondContact O-CB 3.35Å; E32-D36 PolarHBondContact O-N 2.88Å; D36-S39 WeakPolarHBondContact CA-OG 3.39Å; D36-S39 PolarHBondContact O-OG 2.96Å; D36-S40 WeakPolarHBondContact O-CB 3.32Å; D36-S40 PolarHBondContact O-N 2.86Å; D36-S40 PolarHBondContact O-OG 2.98Å
37R89.4Confident89.7Confident88 Ų8867.2 Ų67.233%0.33235%0.348SS..Hα-helixtrans-67.4-48.8176.3178.3-177.5170-170.8-2.5111L33 E34 S40 I41 T110 N111L33-R37 WeakPolarHBondContact O-CB 3.47Å; L33-R37 PolarHBondContact O-N 3.08Å; E34-R37 PolarHBondContact O-N 3.37Å; R37-S40 WeakPolarHBondContact O-CB 3.38Å; R37-S40 PolarHBondContact O-N 3.43Å; R37-I41 HydrophobicContact CG-CD1 4.08Å; R37-I41 WeakPolarHBondContact O-CG1 3.41Å; R37-I41 PolarHBondContact O-N 3.27Å; R37-T110 HydrophobicContact CB-CG2 4.12Å; R37-N111 VanDerWaalsContact CZ-OD1 3.26Å; R37-N111 PolarHBondContact NE-OD1 3.04Å; R37-N111 PolarHBondContact NH1-OD1 3.34Å
38S88.2Confident89.6Confident62 Ų6267.4 Ų67.443%0.43435%0.35SS..Hα-helixtrans-62.4-46.9-179.4610000111.1E34 S35 S40 I41 D42E34-S38 PolarHBondContact O-N 3.3Å; E34-S38 PolarHBondContact O-OG 3.49Å; S35-S38 PolarHBondContact O-OG 3.42Å; S38-S40 VanDerWaalsContact C-N 3.31Å; S38-S40 PolarHBondContact O-N 3.26Å; S38-I41 PolarHBondContact O-N 3.02Å; S38-D42 PolarHBondContact O-N 3.27Å
39S89.7Confident89.5Confident59 Ų5969.5 Ų69.541%0.41336%0.355SS..Hα-helixtrans-62.4-34.9174.761.30000113.2S35 D36 D42 S43S35-S39 WeakPolarHBondContact O-CB 3.26Å; S35-S39 PolarHBondContact O-N 2.91Å; S35-S39 PolarHBondContact O-OG 3.45Å; D36-S39 WeakPolarHBondContact CA-OG 3.39Å; D36-S39 PolarHBondContact O-OG 2.96Å; S39-D42 PolarHBondContact O-N 3.15Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 2.8Å
40S87Confident89.3Confident13 Ų1372.5 Ų72.59%0.09136%0.363CS..Hα-helixtrans-64.9-41.6174.6-66.60000112.2D36 R37 S38 S43 E44D36-S40 WeakPolarHBondContact O-CB 3.32Å; D36-S40 PolarHBondContact O-N 2.86Å; D36-S40 PolarHBondContact O-OG 2.98Å; R37-S40 WeakPolarHBondContact O-CB 3.38Å; R37-S40 PolarHBondContact O-N 3.43Å; S38-S40 VanDerWaalsContact C-N 3.31Å; S38-S40 PolarHBondContact O-N 3.26Å; S40-S43 PolarHBondContact O-N 2.95Å; S40-S43 PolarHBondContact O-OG 3.49Å; S40-E44 PolarHBondContact O-N 3.35Å; S40-E44 VanDerWaalsContact O-N 3.12Å
41I86.1Confident89.2Confident28 Ų2873.5 Ų73.514%0.14437%0.368CS..Hα-helixtrans-65.5-43.7177.3-67.5165.6000110.5R37 S38 S43 E44 K45R37-I41 HydrophobicContact CG-CD1 4.08Å; R37-I41 WeakPolarHBondContact O-CG1 3.41Å; R37-I41 PolarHBondContact O-N 3.27Å; S38-I41 PolarHBondContact O-N 3.02Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.49Å; I41-E44 VanDerWaalsContact O-CB 3.3Å; I41-E44 WeakPolarHBondContact O-CB 3.44Å; I41-E44 PolarHBondContact O-N 2.94Å; I41-K45 PolarHBondContact O-N 2.95Å
42D86.7Confident89.1Confident88 Ų8872.5 Ų72.547%0.47136%0.363SS..Hα-helixtrans-64.5-37.8177.1-70.6-25.5000112S38 S39 E44 K45 Q46S38-D42 PolarHBondContact O-N 3.27Å; S39-D42 PolarHBondContact O-N 3.15Å; D42-E44 VanDerWaalsContact C-N 3.28Å; D42-E44 PolarHBondContact O-N 3.16Å; D42-K45 PolarHBondContact O-N 3.05Å; D42-Q46 WeakPolarHBondContact O-CG 3.34Å; D42-Q46 PolarHBondContact O-N 3.41Å; D42-Q46 VanDerWaalsContact O-N 3.15Å
43S86.1Confident89.1Confident47 Ų4772 Ų7233%0.32936%0.359SS..Hα-helixtrans-65.2-30.4175.778.30000113S39 S40 I41 Q46 F47S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 2.8Å; S40-S43 PolarHBondContact O-N 2.95Å; S40-S43 PolarHBondContact O-OG 3.49Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 3.49Å; S43-Q46 PolarHBondContact O-N 2.91Å; S43-F47 VanDerWaalsContact O-CB 3.3Å; S43-F47 WeakPolarHBondContact O-CB 3.48Å; S43-F47 PolarHBondContact O-N 3.35Å
44E86.2Confident89.1Confident62 Ų6277.2 Ų77.229%0.2938%0.378SS..Hα-helixtrans-61.3-49.5174.8-169-175.6156.300110.6S40 I41 D42 Q46 F47 V48 F99 F103S40-E44 PolarHBondContact O-N 3.35Å; S40-E44 VanDerWaalsContact O-N 3.12Å; I41-E44 VanDerWaalsContact O-CB 3.3Å; I41-E44 WeakPolarHBondContact O-CB 3.44Å; I41-E44 PolarHBondContact O-N 2.94Å; D42-E44 VanDerWaalsContact C-N 3.28Å; D42-E44 PolarHBondContact O-N 3.16Å; E44-Q46 PolarHBondContact O-N 2.91Å; E44-F47 PolarHBondContact O-N 3.46Å; E44-V48 WeakPolarHBondContact O-CG2 3.37Å; E44-V48 PolarHBondContact O-N 3.08Å; E44-F99 HydrophobicContact CG-CE1 3.8Å; E44-F99 HydrophobicContact CG-CZ 4.49Å; E44-F103 HydrophobicContact CB-CD1 3.84Å; E44-F103 HydrophobicContact CB-CE1 4.19Å; E44-F103 HydrophobicContact CG-CB 4.47Å; E44-F103 HydrophobicContact CG-CD1 4.01Å; E44-F103 HydrophobicContact CG-CG 4.3Å
45K86Confident89Confident108 Ų10875.8 Ų75.847%0.4737%0.373SS..Hα-helixtrans-61.1-45.8179.8-66.5170.2-176161.40111I41 D42 F47 F49 E348I41-K45 PolarHBondContact O-N 2.95Å; D42-K45 PolarHBondContact O-N 3.05Å; K45-F47 PolarHBondContact O-N 3.29Å; K45-F49 WeakPolarHBondContact O-CB 3.34Å; K45-F49 PolarHBondContact O-N 2.9Å; K45-E348 VanDerWaalsContact CE-OE2 3.23Å; K45-E348 WeakPolarHBondContact CE-OE2 3.44Å; K45-E348 IonicContact NZ-OE2 2.7Å; K45-E348 PolarHBondContact NZ-OE2 3.27Å
46Q88.1Confident89Confident113 Ų11380.4 Ų80.453%0.52839%0.386SS..Hα-helixtrans-63.8-40.6177.8-69-174.611.200112.1D42 S43 E44 R50D42-Q46 WeakPolarHBondContact O-CG 3.34Å; D42-Q46 PolarHBondContact O-N 3.41Å; D42-Q46 VanDerWaalsContact O-N 3.15Å; S43-Q46 PolarHBondContact O-N 2.91Å; E44-Q46 PolarHBondContact O-N 2.91Å; Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 VanDerWaalsContact O-CG 3.25Å; Q46-R50 WeakPolarHBondContact O-CG 3.37Å; Q46-R50 PolarHBondContact O-N 2.89Å
47F89.4Confident89.3Confident92 Ų9280 Ų8040%0.40438%0.383SS..Hα-helixtrans-69.2-44.6179.4-172.1-82.4000111.8S43 E44 K45 F49 R50 L51 F99S43-F47 VanDerWaalsContact O-CB 3.3Å; S43-F47 WeakPolarHBondContact O-CB 3.48Å; S43-F47 PolarHBondContact O-N 3.35Å; E44-F47 PolarHBondContact O-N 3.46Å; K45-F47 PolarHBondContact O-N 3.29Å; F47-F49 VanDerWaalsContact C-N 3.3Å; F47-F49 PolarHBondContact O-N 2.92Å; F47-R50 PolarHBondContact O-N 2.67Å; F47-L51 HydrophobicContact CD1-CB 4.45Å; F47-L51 HydrophobicContact CE1-CB 4.37Å; F47-L51 HydrophobicContact CE1-CD1 4.22Å; F47-L51 VanDerWaalsContact O-CB 3.27Å; F47-L51 WeakPolarHBondContact O-CB 3.5Å; F47-L51 PolarHBondContact O-N 3.04Å; F47-F99 HydrophobicContact CB-CE1 4.08Å; F47-F99 HydrophobicContact CB-CE2 3.86Å; F47-F99 HydrophobicContact CB-CZ 3.35Å; F47-F99 AromaticContact CD1-CD1 3.95Å; F47-F99 HydrophobicContact CD1-CD1 3.95Å; F47-F99 AromaticContact CD1-CD2 3.38Å; F47-F99 HydrophobicContact CD1-CD2 3.38Å; F47-F99 AromaticContact CD1-CE1 3.62Å; F47-F99 HydrophobicContact CD1-CE1 3.62Å; F47-F99 AromaticContact CD1-CE2 2.96Å; F47-F99 HydrophobicContact CD1-CE2 2.96Å; F47-F99 AromaticContact CD1-CG 3.85Å; F47-F99 HydrophobicContact CD1-CG 3.85Å; F47-F99 AromaticContact CD1-CZ 3.14Å; F47-F99 HydrophobicContact CD1-CZ 3.14Å; F47-F99 AromaticContact CD2-CE2 3.74Å; F47-F99 HydrophobicContact CD2-CE2 3.74Å; F47-F99 HydrophobicContact CD2-CZ 4.16Å; F47-F99 HydrophobicContact CE1-CD1 4.35Å; F47-F99 AromaticContact CE1-CD2 3.21Å; F47-F99 HydrophobicContact CE1-CD2 3.21Å; F47-F99 HydrophobicContact CE1-CE1 4.41Å; F47-F99 AromaticContact CE1-CE2 3.25Å; F47-F99 HydrophobicContact CE1-CE2 3.25Å; F47-F99 AromaticContact CE1-CG 3.8Å; F47-F99 HydrophobicContact CE1-CG 3.8Å; F47-F99 AromaticContact CE1-CZ 3.92Å; F47-F99 HydrophobicContact CE1-CZ 3.92Å; F47-F99 HydrophobicContact CE2-CD2 4.48Å; F47-F99 AromaticContact CE2-CE2 3.98Å; F47-F99 HydrophobicContact CE2-CE2 3.98Å; F47-F99 HydrophobicContact CG-CD2 4.1Å; F47-F99 HydrophobicContact CG-CE1 4.11Å; F47-F99 AromaticContact CG-CE2 3.22Å; F47-F99 HydrophobicContact CG-CE2 3.22Å; F47-F99 AromaticContact CG-CZ 3.27Å; F47-F99 HydrophobicContact CG-CZ 3.27Å; F47-F99 AromaticContact CZ-CD2 3.81Å; F47-F99 HydrophobicContact CZ-CD2 3.81Å; F47-F99 AromaticContact CZ-CE2 3.75Å; F47-F99 HydrophobicContact CZ-CE2 3.75Å
48V88.7Confident89.3Confident36 Ų3682.3 Ų82.322%0.21840%0.396CS..Hα-helixtrans-59.5-44.7176.4172.30000110.2E44 L51 L52 F99E44-V48 WeakPolarHBondContact O-CG2 3.37Å; E44-V48 PolarHBondContact O-N 3.08Å; V48-L51 PolarHBondContact O-N 2.57Å; V48-L52 HydrophobicContact CG1-CD1 4.08Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 3.14Å; V48-F99 HydrophobicContact CG2-CD1 4.18Å; V48-F99 HydrophobicContact CG2-CE1 3.93Å
49F89.4Confident89.4Confident142 Ų14283 Ų8362%0.62339%0.391SS*.Hα-helixtrans-60.5-49176179.3-99.6000112.1K45 F47 L51 L52 F53K45-F49 WeakPolarHBondContact O-CB 3.34Å; K45-F49 PolarHBondContact O-N 2.9Å; F47-F49 VanDerWaalsContact C-N 3.3Å; F47-F49 PolarHBondContact O-N 2.92Å; F49-L51 PolarHBondContact O-N 3.16Å; F49-L52 PolarHBondContact O-N 3.32Å; F49-F53 WeakPolarHBondContact O-CB 3.17Å; F49-F53 PolarHBondContact O-N 2.77Å
50R91Very high89.4Confident144 Ų14481.3 Ų81.354%0.54338%0.384SS..Hα-helixtrans-61.2-44.4177.5-74.8177.3-173.7-166.64.9112Q46 F47 L52 F53 Y54Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 VanDerWaalsContact O-CG 3.25Å; Q46-R50 WeakPolarHBondContact O-CG 3.37Å; Q46-R50 PolarHBondContact O-N 2.89Å; F47-R50 PolarHBondContact O-N 2.67Å; R50-L52 VanDerWaalsContact C-N 3.35Å; R50-L52 PolarHBondContact O-N 3.28Å; R50-F53 PolarHBondContact O-N 3.27Å; R50-Y54 HydrophobicContact CB-CD2 4.23Å; R50-Y54 HydrophobicContact CB-CE2 4.08Å; R50-Y54 HydrophobicContact CG-CE2 4.47Å; R50-Y54 WeakPolarHBondContact O-CD2 3.2Å; R50-Y54 PolarHBondContact O-N 3.02Å
51L90.3Very high89.7Confident35 Ų3585.2 Ų85.218%0.18340%0.403CS..Hα-helixtrans-57.2-48.3177.6-176.885.2000110.9F47 V48 F49 S55F47-L51 HydrophobicContact CD1-CB 4.45Å; F47-L51 HydrophobicContact CE1-CB 4.37Å; F47-L51 HydrophobicContact CE1-CD1 4.22Å; F47-L51 VanDerWaalsContact O-CB 3.27Å; F47-L51 WeakPolarHBondContact O-CB 3.5Å; F47-L51 PolarHBondContact O-N 3.04Å; V48-L51 PolarHBondContact O-N 2.57Å; F49-L51 PolarHBondContact O-N 3.16Å; L51-S55 WeakPolarHBondContact O-CB 3.22Å; L51-S55 PolarHBondContact O-N 3.28Å
52L90.4Very high89.7Confident85 Ų8586 Ų8645%0.44541%0.411SS..Hα-helixtrans-66.6-41.4178.9-68.7176.1000111.9V48 F49 R50 S55 F56V48-L52 HydrophobicContact CG1-CD1 4.08Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 3.14Å; F49-L52 PolarHBondContact O-N 3.32Å; R50-L52 VanDerWaalsContact C-N 3.35Å; R50-L52 PolarHBondContact O-N 3.28Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.36Å; L52-F56 PolarHBondContact O-N 3.46Å
53F92.7Very high89.6Confident110 Ų11087.3 Ų87.348%0.48241%0.412SS..Hα-helixtrans-62.8-51.7178.4-179.1-102.8000112.3F49 R50 S55 F56 I57F49-F53 WeakPolarHBondContact O-CB 3.17Å; F49-F53 PolarHBondContact O-N 2.77Å; R50-F53 PolarHBondContact O-N 3.27Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.35Å; F53-F56 PolarHBondContact O-N 3.29Å; F53-I57 HydrophobicContact CD1-CD1 3.81Å; F53-I57 HydrophobicContact CE1-CD1 3.3Å; F53-I57 HydrophobicContact CE2-CD1 4.26Å; F53-I57 HydrophobicContact CG-CD1 4.48Å; F53-I57 HydrophobicContact CZ-CD1 3.57Å; F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.36Å; F53-I57 VanDerWaalsContact O-N 3.12Å
54Y92.1Very high89.7Confident128 Ų12889.1 Ų89.150%0.50242%0.418SS..Hα-helixtrans-64.6-37.1176.5-69.8-60.2000111.6R50 F56 I57 F58R50-Y54 HydrophobicContact CB-CD2 4.23Å; R50-Y54 HydrophobicContact CB-CE2 4.08Å; R50-Y54 HydrophobicContact CG-CE2 4.47Å; R50-Y54 WeakPolarHBondContact O-CD2 3.2Å; R50-Y54 PolarHBondContact O-N 3.02Å; Y54-F56 VanDerWaalsContact C-N 3.34Å; Y54-F56 PolarHBondContact O-N 3.12Å; Y54-I57 PolarHBondContact O-N 2.98Å; Y54-F58 WeakPolarHBondContact O-CB 3.4Å; Y54-F58 VanDerWaalsContact O-CD2 3.23Å; Y54-F58 WeakPolarHBondContact O-CD2 3.34Å; Y54-F58 PolarHBondContact O-N 3.22Å
55S91.8Very high89.7Confident17 Ų1790.5 Ų90.512%0.11943%0.43CS..Hα-helixtrans-56.8-47.5173.8169.60000111.7L51 L52 F53 I57 F58 F59 Y88 I92L51-S55 WeakPolarHBondContact O-CB 3.22Å; L51-S55 PolarHBondContact O-N 3.28Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.36Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.35Å; S55-I57 PolarHBondContact O-N 3.12Å; S55-F58 PolarHBondContact O-N 3.07Å; S55-F59 WeakPolarHBondContact O-CB 3.22Å; S55-F59 PolarHBondContact O-N 2.85Å; S55-Y88 WeakPolarHBondContact CA-OH 3.25Å; S55-Y88 VanDerWaalsContact CB-OH 3.28Å; S55-Y88 WeakPolarHBondContact CB-OH 3.45Å; S55-Y88 PolarHBondContact O-OH 3.42Å; S55-Y88 WeakPolarHBondContact OG-CE1 3.32Å; S55-Y88 PolarHBondContact OG-OH 3.3Å; S55-I92 WeakPolarHBondContact OG-CD1 3.13Å
56F91.4Very high89.5Confident158 Ų15887.1 Ų87.169%0.69342%0.419SS*.Hα-helixtrans-62.3-42.5177.9-178.3-102.1000112.5L52 F53 Y54 G60L52-F56 PolarHBondContact O-N 3.46Å; F53-F56 PolarHBondContact O-N 3.29Å; Y54-F56 VanDerWaalsContact C-N 3.34Å; Y54-F56 PolarHBondContact O-N 3.12Å; F56-G60 PolarHBondContact O-N 3.04Å
57I94Very high89.2Confident65 Ų6587.6 Ų87.633%0.33342%0.416SS..Hα-helixtrans-62.8-51.8177.1-67.5172.2000111.2F53 Y54 S55 F59 G60 L61F53-I57 HydrophobicContact CD1-CD1 3.81Å; F53-I57 HydrophobicContact CE1-CD1 3.3Å; F53-I57 HydrophobicContact CE2-CD1 4.26Å; F53-I57 HydrophobicContact CG-CD1 4.48Å; F53-I57 HydrophobicContact CZ-CD1 3.57Å; F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.36Å; F53-I57 VanDerWaalsContact O-N 3.12Å; Y54-I57 PolarHBondContact O-N 2.98Å; S55-I57 PolarHBondContact O-N 3.12Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.23Å; I57-G60 PolarHBondContact O-N 3.23Å; I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.39Å; I57-L61 WeakPolarHBondContact O-CG 3.47Å; I57-L61 PolarHBondContact O-N 3.05Å
58F90.9Very high88.9Confident137 Ų13792 Ų9260%0.60143%0.432SS*.Hα-helixtrans-61.9-40.8-180-84.5-68.4000111.7Y54 S55 L61 S62Y54-F58 WeakPolarHBondContact O-CB 3.4Å; Y54-F58 VanDerWaalsContact O-CD2 3.23Å; Y54-F58 WeakPolarHBondContact O-CD2 3.34Å; Y54-F58 PolarHBondContact O-N 3.22Å; S55-F58 PolarHBondContact O-N 3.07Å; F58-L61 PolarHBondContact O-N 3.08Å; F58-S62 VanDerWaalsContact O-CB 3.29Å; F58-S62 WeakPolarHBondContact O-CB 3.04Å; F58-S62 PolarHBondContact O-N 3.39Å; F58-S62 PolarHBondContact O-OG 2.92Å
59F89.9Confident88.5Confident75 Ų7598.8 Ų98.833%0.32946%0.455SS..Hα-helixtrans-60.1-49.2174.1-176.7-96.9000111.6S55 I57 S62 F63 F85 Y88S55-F59 WeakPolarHBondContact O-CB 3.22Å; S55-F59 PolarHBondContact O-N 2.85Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.23Å; F59-S62 PolarHBondContact O-N 3.17Å; F59-S62 PolarHBondContact O-OG 3.23Å; F59-F63 WeakPolarHBondContact O-CB 3.42Å; F59-F63 PolarHBondContact O-N 3.39Å; F59-F85 HydrophobicContact CD2-CD1 4.16Å; F59-F85 HydrophobicContact CD2-CE1 4.31Å; F59-F85 AromaticContact CE2-CD1 3.43Å; F59-F85 HydrophobicContact CE2-CD1 3.43Å; F59-F85 VanDerWaalsContact CE2-CD1 3.43Å; F59-F85 AromaticContact CE2-CE1 3.85Å; F59-F85 HydrophobicContact CE2-CE1 3.85Å; F59-F85 AromaticContact CZ-CD1 3.89Å; F59-F85 HydrophobicContact CZ-CD1 3.89Å; F59-F85 HydrophobicContact CZ-CE1 4.11Å; F59-Y88 HydrophobicContact CB-CD1 4.49Å; F59-Y88 HydrophobicContact CB-CE1 3.83Å; F59-Y88 AromaticContact CD2-CD1 3.48Å; F59-Y88 HydrophobicContact CD2-CD1 3.48Å; F59-Y88 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y88 AromaticContact CD2-CE1 3.68Å; F59-Y88 HydrophobicContact CD2-CE1 3.68Å; F59-Y88 HydrophobicContact CD2-CG 4.07Å; F59-Y88 HydrophobicContact CE2-CD1 4.1Å; F59-Y88 HydrophobicContact CG-CD1 4.37Å; F59-Y88 HydrophobicContact CG-CE1 4.13Å
60G90.3Very high87.5Confident25 Ų2598.2 Ų98.226%0.25845%0.449SS..Hα-helixtrans-60.9-45.3177.700000113.2F56 I57 S62 F63 I64F56-G60 PolarHBondContact O-N 3.04Å; I57-G60 PolarHBondContact O-N 3.23Å; G60-S62 PolarHBondContact O-N 3.42Å; G60-F63 PolarHBondContact O-N 3.44Å; G60-I64 VanDerWaalsContact O-CG1 3.28Å; G60-I64 WeakPolarHBondContact O-CG1 3.22Å; G60-I64 PolarHBondContact O-N 3.11Å
61L91.5Very high86.4Confident95 Ų95100.7 Ų100.750%0.49746%0.459SS..Hα-helixtrans-63.5-40.2176.1-69.2177.1000112.1I57 F58 F63 I64 T65I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.39Å; I57-L61 WeakPolarHBondContact O-CG 3.47Å; I57-L61 PolarHBondContact O-N 3.05Å; F58-L61 PolarHBondContact O-N 3.08Å; L61-F63 VanDerWaalsContact C-N 3.34Å; L61-I64 PolarHBondContact O-N 3.02Å; L61-T65 WeakPolarHBondContact O-CB 3.35Å; L61-T65 PolarHBondContact O-N 3.17Å; L61-T65 PolarHBondContact O-OG1 2.78Å
62S87.1Confident85.3Confident45 Ų45100.8 Ų100.832%0.31546%0.461SS..Hα-helixtrans-62.8-42.2175.479.20000111.4F58 F59 G60 T65 V66F58-S62 VanDerWaalsContact O-CB 3.29Å; F58-S62 WeakPolarHBondContact O-CB 3.04Å; F58-S62 PolarHBondContact O-N 3.39Å; F58-S62 PolarHBondContact O-OG 2.92Å; F59-S62 PolarHBondContact O-N 3.17Å; F59-S62 PolarHBondContact O-OG 3.23Å; G60-S62 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-N 3.37Å; S62-V66 WeakPolarHBondContact O-CB 3.31Å; S62-V66 WeakPolarHBondContact O-CG2 3.43Å; S62-V66 PolarHBondContact O-N 3.25Å
63F85.3Confident84.4Confident114 Ų114108.4 Ų108.450%0.548%0.484SS..Hα-helixtrans-63.6-45.4177.6-179.3-96.2000111.9F59 G60 L61 V66 Y67 F85F59-F63 WeakPolarHBondContact O-CB 3.42Å; F59-F63 PolarHBondContact O-N 3.39Å; G60-F63 PolarHBondContact O-N 3.44Å; L61-F63 VanDerWaalsContact C-N 3.34Å; F63-V66 PolarHBondContact O-N 3.36Å; F63-Y67 VanDerWaalsContact O-CB 3.25Å; F63-Y67 WeakPolarHBondContact O-CB 3.4Å; F63-Y67 PolarHBondContact O-N 3.11Å; F63-F85 HydrophobicContact CB-CE1 4.32Å; F63-F85 HydrophobicContact CB-CZ 4.14Å; F63-F85 HydrophobicContact CD2-CE1 4.37Å; F63-F85 HydrophobicContact CD2-CE2 4.39Å; F63-F85 AromaticContact CD2-CZ 3.81Å; F63-F85 HydrophobicContact CD2-CZ 3.81Å; F63-F85 HydrophobicContact CG-CZ 4.47Å
64I87.5Confident83.8Confident85 Ų85107.4 Ų107.444%0.43649%0.488SS..Hα-helixtrans-61.5-48.3176.3-68.3166.6000110.7G60 L61 V66 Y67 Y68G60-I64 VanDerWaalsContact O-CG1 3.28Å; G60-I64 WeakPolarHBondContact O-CG1 3.22Å; G60-I64 PolarHBondContact O-N 3.11Å; L61-I64 PolarHBondContact O-N 3.02Å; I64-V66 PolarHBondContact O-N 3.49Å; I64-Y67 PolarHBondContact O-N 3.43Å; I64-Y68 HydrophobicContact CG2-CD2 3.67Å; I64-Y68 HydrophobicContact CG2-CE2 3.64Å; I64-Y68 VanDerWaalsContact O-CD2 3.22Å; I64-Y68 WeakPolarHBondContact O-CD2 3.15Å; I64-Y68 PolarHBondContact O-N 3.45Å
65T85.8Confident83.3Confident91 Ų91106.6 Ų106.656%0.55850%0.495SS*.Hα-helixtrans-62.4-44.3-179-54.50000111.4L61 S62 Y68 Y69L61-T65 WeakPolarHBondContact O-CB 3.35Å; L61-T65 PolarHBondContact O-N 3.17Å; L61-T65 PolarHBondContact O-OG1 2.78Å; S62-T65 PolarHBondContact O-N 3.37Å; T65-Y68 PolarHBondContact O-N 2.86Å; T65-Y69 VanDerWaalsContact O-CB 3.31Å; T65-Y69 WeakPolarHBondContact O-CB 3.45Å; T65-Y69 PolarHBondContact O-N 3.49Å
66V81.2Confident82.9Confident37 Ų37110.6 Ų110.622%0.22452%0.519CS..Hα-helixtrans-65.8-40.5177.21710000111.1S62 F63 I64 Y68 Y70 I81S62-V66 WeakPolarHBondContact O-CB 3.31Å; S62-V66 WeakPolarHBondContact O-CG2 3.43Å; S62-V66 PolarHBondContact O-N 3.25Å; F63-V66 PolarHBondContact O-N 3.36Å; I64-V66 PolarHBondContact O-N 3.49Å; V66-Y68 PolarHBondContact O-N 3.36Å; V66-Y70 HydrophobicContact CG1-CD2 4.46Å; V66-Y70 WeakPolarHBondContact O-CA 3.43Å; V66-Y70 VanDerWaalsContact O-CB 3.28Å; V66-Y70 WeakPolarHBondContact O-CB 3.44Å; V66-Y70 PolarHBondContact O-N 2.96Å; V66-I81 HydrophobicContact CG1-CD1 3.58Å; V66-I81 HydrophobicContact CG1-CG1 3.83Å; V66-I81 HydrophobicContact CG1-CG2 3.96Å
67Y82.1Confident82.4Confident123 Ų123104 Ų10448%0.48250%0.496SS..Hα-helixtrans-60.2-46.5177.3178.3-96000112.2F63 I64 W71F63-Y67 VanDerWaalsContact O-CB 3.25Å; F63-Y67 WeakPolarHBondContact O-CB 3.4Å; F63-Y67 PolarHBondContact O-N 3.11Å; I64-Y67 PolarHBondContact O-N 3.43Å; Y67-W71 HydrophobicContact CE2-CE3 4Å; Y67-W71 AromaticContact CE2-CZ3 3.59Å; Y67-W71 HydrophobicContact CE2-CZ3 3.59Å; Y67-W71 AromaticContact CZ-CZ3 3.73Å
68Y83.7Confident81.9Confident185 Ų185106.1 Ų106.173%0.72550%0.503SS*.Hα-helixtrans-73.1-43.8-179.7-79.6-67.7000113.5I64 T65 V66I64-Y68 HydrophobicContact CG2-CD2 3.67Å; I64-Y68 HydrophobicContact CG2-CE2 3.64Å; I64-Y68 VanDerWaalsContact O-CD2 3.22Å; I64-Y68 WeakPolarHBondContact O-CD2 3.15Å; I64-Y68 PolarHBondContact O-N 3.45Å; T65-Y68 PolarHBondContact O-N 2.86Å; V66-Y68 PolarHBondContact O-N 3.36Å
69Y79.2Confident81.7Confident178 Ų178104 Ų10470%0.69850%0.501SS*.Hα-helixtrans-79.5-39-175-167.2-91.6000112.2T65T65-Y69 VanDerWaalsContact O-CB 3.31Å; T65-Y69 WeakPolarHBondContact O-CB 3.45Å; T65-Y69 PolarHBondContact O-N 3.49Å
70Y69.5Low81.5Confident131 Ų131104.4 Ų104.451%0.51451%0.509SS..Hα-helixtrans-99.6-11.2-164-82.1-75.6000116.1V66 P72V66-Y70 HydrophobicContact CG1-CD2 4.46Å; V66-Y70 WeakPolarHBondContact O-CA 3.43Å; V66-Y70 VanDerWaalsContact O-CB 3.28Å; V66-Y70 WeakPolarHBondContact O-CB 3.44Å; V66-Y70 PolarHBondContact O-N 2.96Å; Y70-P72 WeakPolarHBondContact O-CA 3.35Å; Y70-P72 WeakPolarHBondContact O-CB 3.28Å; Y70-P72 WeakPolarHBondContact O-CD 3.31Å; Y70-P72 WeakPolarHBondContact O-CG 3.43Å
71W68.2Low81.1Confident195 Ų195104.6 Ų104.674%0.73950%0.504SS*.  trans-16.277.5-172.9-172.1-88.5000113.7Y67 R73Y67-W71 HydrophobicContact CE2-CE3 4Å; Y67-W71 AromaticContact CE2-CZ3 3.59Å; Y67-W71 HydrophobicContact CE2-CZ3 3.59Å; Y67-W71 AromaticContact CZ-CZ3 3.73Å; W71-R73 PolarHBondContact O-N 2.91Å
72P67.4Low80.8Confident37 Ų37104 Ų10424%0.2451%0.507CS..  trans-97113.8-150.215.5-6.9000109Y70 T74 K78 I81Y70-P72 WeakPolarHBondContact O-CA 3.35Å; Y70-P72 WeakPolarHBondContact O-CB 3.28Å; Y70-P72 WeakPolarHBondContact O-CD 3.31Å; Y70-P72 WeakPolarHBondContact O-CG 3.43Å; P72-T74 PolarHBondContact O-N 3.3Å; P72-K78 HydrophobicContact CG-CG 4.24Å; P72-K78 WeakPolarHBondContact O-CE 3.36Å; P72-I81 HydrophobicContact CG-CD1 3.91Å
73R70.3Confident80.9Confident245 Ų245107.8 Ų107.893%0.92552%0.521SS*.  trans-67.7-23.8170.6-160172.8-177.4173.30.4111.6W71W71-R73 PolarHBondContact O-N 2.91Å
74T81.1Confident80.9Confident90 Ų90107.4 Ų107.455%0.55252%0.523SS*.SBendtrans-88.1136.2-176.656.20000113.1P72 T76 G77P72-T74 PolarHBondContact O-N 3.3Å; T74-T76 PolarHBondContact O-N 3Å; T74-G77 PolarHBondContact O-N 2.93Å
75V82.1Confident80.9Confident110 Ų110105.6 Ų105.667%0.66751%0.512SS*.Hα-helixtrans-60.4-39178.7-69.10000113.6G77 K78 V79V75-G77 VanDerWaalsContact C-N 3.34Å; V75-G77 PolarHBondContact O-N 3.21Å; V75-K78 WeakPolarHBondContact O-CB 3.32Å; V75-K78 PolarHBondContact O-N 3.45Å; V75-K78 VanDerWaalsContact O-N 3.14Å; V75-V79 PolarHBondContact O-N 3.39Å; V75-V79 VanDerWaalsContact O-N 3.13Å
76T82.7Confident81.1Confident101 Ų101104.1 Ų104.162%0.6251%0.509SS*.Hα-helixtrans-61.1-42-178-45.20000112.2T74 K78 V79 V80T74-T76 PolarHBondContact O-N 3Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 2.89Å; T76-V79 PolarHBondContact O-N 3.32Å; T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.41Å; T76-V80 VanDerWaalsContact O-N 3.1Å
77G81.4Confident81.5Confident19 Ų19106.1 Ų106.120%0.19652%0.522CS..Hα-helixtrans-61.5-40176.600000112.4T74 V75 V79 V80 I81T74-G77 PolarHBondContact O-N 2.93Å; V75-G77 VanDerWaalsContact C-N 3.34Å; V75-G77 PolarHBondContact O-N 3.21Å; G77-V79 PolarHBondContact O-N 3.42Å; G77-V80 PolarHBondContact O-N 2.92Å; G77-I81 WeakPolarHBondContact O-CB 3.46Å; G77-I81 WeakPolarHBondContact O-CD1 3.36Å; G77-I81 VanDerWaalsContact O-CG1 3.22Å; G77-I81 WeakPolarHBondContact O-CG1 3.42Å; G77-I81 PolarHBondContact O-N 3.09Å; G77-I81 VanDerWaalsContact O-N 3.08Å
78K81.9Confident81.9Confident111 Ų111103 Ų10348%0.48351%0.509SS..Hα-helixtrans-62.4-41.6176-61.6179.2-177.3177.80111.7P72 V75 T76 I81 C82P72-K78 HydrophobicContact CG-CG 4.24Å; P72-K78 WeakPolarHBondContact O-CE 3.36Å; V75-K78 WeakPolarHBondContact O-CB 3.32Å; V75-K78 PolarHBondContact O-N 3.45Å; V75-K78 VanDerWaalsContact O-N 3.14Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 2.89Å; K78-I81 PolarHBondContact O-N 3.23Å; K78-C82 PolarHBondContact O-N 3.47Å; K78-C82 PolarHBondContact O-SG 2.93Å
79V86.9Confident82.2Confident93 Ų9397.6 Ų97.656%0.56450%0.497SS*.Hα-helixtrans-63.4-46.7178.1175.60000111.5V75 T76 G77 I81 C82 M83V75-V79 PolarHBondContact O-N 3.39Å; V75-V79 VanDerWaalsContact O-N 3.13Å; T76-V79 PolarHBondContact O-N 3.32Å; G77-V79 PolarHBondContact O-N 3.42Å; V79-I81 VanDerWaalsContact C-N 3.32Å; V79-I81 PolarHBondContact O-N 3.13Å; V79-C82 PolarHBondContact O-N 3.4Å; V79-M83 WeakPolarHBondContact O-CG 3.43Å; V79-M83 PolarHBondContact O-N 3.42Å
80V85.7Confident82.8Confident83 Ų8395.9 Ų95.950%0.50349%0.493SS..Hα-helixtrans-60.8-43.2178.9174.40000111.1T76 G77 M83 I84T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.41Å; T76-V80 VanDerWaalsContact O-N 3.1Å; G77-V80 PolarHBondContact O-N 2.92Å; V80-M83 PolarHBondContact O-N 2.96Å; V80-I84 HydrophobicContact CG1-CD1 4.06Å; V80-I84 WeakPolarHBondContact O-CG1 3.42Å; V80-I84 PolarHBondContact O-N 3.12Å
81I83.2Confident83.9Confident29 Ų2992.4 Ų92.415%0.14949%0.487CS..Hα-helixtrans-61.8-47.2177.7-70.2165.6000111.1V66 P72 G77 K78 V79 M83 I84 F85V66-I81 HydrophobicContact CG1-CD1 3.58Å; V66-I81 HydrophobicContact CG1-CG1 3.83Å; V66-I81 HydrophobicContact CG1-CG2 3.96Å; P72-I81 HydrophobicContact CG-CD1 3.91Å; G77-I81 WeakPolarHBondContact O-CB 3.46Å; G77-I81 WeakPolarHBondContact O-CD1 3.36Å; G77-I81 VanDerWaalsContact O-CG1 3.22Å; G77-I81 WeakPolarHBondContact O-CG1 3.42Å; G77-I81 PolarHBondContact O-N 3.09Å; G77-I81 VanDerWaalsContact O-N 3.08Å; K78-I81 PolarHBondContact O-N 3.23Å; V79-I81 VanDerWaalsContact C-N 3.32Å; V79-I81 PolarHBondContact O-N 3.13Å; I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 3.5Å; I81-I84 PolarHBondContact O-N 3Å; I81-F85 HydrophobicContact CG2-CD2 3.5Å; I81-F85 HydrophobicContact CG2-CE2 3.33Å; I81-F85 WeakPolarHBondContact O-CD2 3.38Å; I81-F85 PolarHBondContact O-N 2.88Å
82C85.4Confident85Confident83 Ų8384.6 Ų84.656%0.56146%0.46SS*.Hα-helixtrans-58.6-39.7176.1-70.50000112.1K78 V79 F85 A86K78-C82 PolarHBondContact O-N 3.47Å; K78-C82 PolarHBondContact O-SG 2.93Å; V79-C82 PolarHBondContact O-N 3.4Å; C82-F85 PolarHBondContact O-N 3.07Å; C82-A86 VanDerWaalsContact O-CB 3.3Å; C82-A86 WeakPolarHBondContact O-CB 3.21Å; C82-A86 PolarHBondContact O-N 3.27Å
83M87.7Confident86.1Confident123 Ų12390.3 Ų90.361%0.60648%0.478SS*.Hα-helixtrans-64.9-42.6177.2-68.2-65-88.200111.9V79 V80 I81 F85 A86 V87V79-M83 WeakPolarHBondContact O-CG 3.43Å; V79-M83 PolarHBondContact O-N 3.42Å; V80-M83 PolarHBondContact O-N 2.96Å; I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 3.5Å; M83-F85 PolarHBondContact O-N 2.96Å; M83-A86 PolarHBondContact O-N 3.15Å; M83-V87 WeakPolarHBondContact O-CB 3.2Å; M83-V87 VanDerWaalsContact O-CG2 3.22Å; M83-V87 WeakPolarHBondContact O-CG2 3.35Å; M83-V87 PolarHBondContact O-N 3.44Å
84I86.8Confident87.2Confident106 Ų10683.6 Ų83.654%0.54446%0.455SS..Hα-helixtrans-61.6-46176.5-67.2165.7000110.7V80 I81 A86 V87 Y88V80-I84 HydrophobicContact CG1-CD1 4.06Å; V80-I84 WeakPolarHBondContact O-CG1 3.42Å; V80-I84 PolarHBondContact O-N 3.12Å; I81-I84 PolarHBondContact O-N 3Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 3.42Å; I84-V87 PolarHBondContact O-N 3.47Å; I84-Y88 PolarHBondContact O-N 3.49Å
85F87.1Confident87.7Confident47 Ų4783.5 Ų83.521%0.20645%0.451CS..Hα-helixtrans-67.5-28.8177.6-75.2-58.9000113.5F59 F63 I81 C82 M83 P89F59-F85 HydrophobicContact CD2-CD1 4.16Å; F59-F85 HydrophobicContact CD2-CE1 4.31Å; F59-F85 AromaticContact CE2-CD1 3.43Å; F59-F85 HydrophobicContact CE2-CD1 3.43Å; F59-F85 VanDerWaalsContact CE2-CD1 3.43Å; F59-F85 AromaticContact CE2-CE1 3.85Å; F59-F85 HydrophobicContact CE2-CE1 3.85Å; F59-F85 AromaticContact CZ-CD1 3.89Å; F59-F85 HydrophobicContact CZ-CD1 3.89Å; F59-F85 HydrophobicContact CZ-CE1 4.11Å; F63-F85 HydrophobicContact CB-CE1 4.32Å; F63-F85 HydrophobicContact CB-CZ 4.14Å; F63-F85 HydrophobicContact CD2-CE1 4.37Å; F63-F85 HydrophobicContact CD2-CE2 4.39Å; F63-F85 AromaticContact CD2-CZ 3.81Å; F63-F85 HydrophobicContact CD2-CZ 3.81Å; F63-F85 HydrophobicContact CG-CZ 4.47Å; I81-F85 HydrophobicContact CG2-CD2 3.5Å; I81-F85 HydrophobicContact CG2-CE2 3.33Å; I81-F85 WeakPolarHBondContact O-CD2 3.38Å; I81-F85 PolarHBondContact O-N 2.88Å; C82-F85 PolarHBondContact O-N 3.07Å; M83-F85 PolarHBondContact O-N 2.96Å; F85-P89 WeakPolarHBondContact O-CD 3.28Å
86A88.8Confident88.1Confident60 Ų6083.3 Ų83.350%0.49644%0.441SS..Hα-helixtrans-76.3-35.8174.400000112.5C82 M83 I84 P89C82-A86 VanDerWaalsContact O-CB 3.3Å; C82-A86 WeakPolarHBondContact O-CB 3.21Å; C82-A86 PolarHBondContact O-N 3.27Å; M83-A86 PolarHBondContact O-N 3.15Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 3.42Å; A86-P89 VanDerWaalsContact O-CD 3.31Å; A86-P89 WeakPolarHBondContact O-CD 3.23Å; A86-P89 WeakPolarHBondContact O-CG 3.18Å
87V91.2Very high88.6Confident80 Ų8083.5 Ų83.549%0.48543%0.431SS..Hα-helixtrans-69.6-35.3177169.90000111.2M83 I84 F90 C91M83-V87 WeakPolarHBondContact O-CB 3.2Å; M83-V87 VanDerWaalsContact O-CG2 3.22Å; M83-V87 WeakPolarHBondContact O-CG2 3.35Å; M83-V87 PolarHBondContact O-N 3.44Å; I84-V87 PolarHBondContact O-N 3.47Å; V87-F90 WeakPolarHBondContact O-CB 3.46Å; V87-F90 PolarHBondContact O-N 3.37Å; V87-C91 PolarHBondContact O-N 2.67Å; V87-C91 PolarHBondContact O-SG 2.84Å; V87-C91 VanDerWaalsContact O-SG 3.38Å
88Y90.3Very high89.1Confident57 Ų5785.3 Ų85.322%0.22444%0.436CS..Hα-helixtrans-52.9-55.9-178.9-173.8-96.6000115.5S55 F59 I84 F90 C91 I92S55-Y88 WeakPolarHBondContact CA-OH 3.25Å; S55-Y88 VanDerWaalsContact CB-OH 3.28Å; S55-Y88 WeakPolarHBondContact CB-OH 3.45Å; S55-Y88 PolarHBondContact O-OH 3.42Å; S55-Y88 WeakPolarHBondContact OG-CE1 3.32Å; S55-Y88 PolarHBondContact OG-OH 3.3Å; F59-Y88 HydrophobicContact CB-CD1 4.49Å; F59-Y88 HydrophobicContact CB-CE1 3.83Å; F59-Y88 AromaticContact CD2-CD1 3.48Å; F59-Y88 HydrophobicContact CD2-CD1 3.48Å; F59-Y88 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y88 AromaticContact CD2-CE1 3.68Å; F59-Y88 HydrophobicContact CD2-CE1 3.68Å; F59-Y88 HydrophobicContact CD2-CG 4.07Å; F59-Y88 HydrophobicContact CE2-CD1 4.1Å; F59-Y88 HydrophobicContact CG-CD1 4.37Å; F59-Y88 HydrophobicContact CG-CE1 4.13Å; I84-Y88 PolarHBondContact O-N 3.49Å; Y88-F90 VanDerWaalsContact C-N 3.26Å; Y88-F90 PolarHBondContact O-N 2.88Å; Y88-C91 WeakPolarHBondContact O-CB 3.44Å; Y88-C91 PolarHBondContact O-N 2.97Å; Y88-I92 HydrophobicContact CD1-CG1 4.34Å; Y88-I92 HydrophobicContact CE1-CG1 3.86Å; Y88-I92 HydrophobicContact CE2-CG1 4.44Å; Y88-I92 WeakPolarHBondContact O-CG1 3.49Å; Y88-I92 PolarHBondContact O-N 2.9Å
89P89.8Confident89.5Confident72 Ų7281 Ų8147%0.46842%0.417SS..Hα-helixtrans-63.4-32.6178.126-35.4000112.2F85 A86 I92 Y93F85-P89 WeakPolarHBondContact O-CD 3.28Å; A86-P89 VanDerWaalsContact O-CD 3.31Å; A86-P89 WeakPolarHBondContact O-CD 3.23Å; A86-P89 WeakPolarHBondContact O-CG 3.18Å; P89-I92 PolarHBondContact O-N 2.84Å; P89-Y93 VanDerWaalsContact O-CB 3.31Å; P89-Y93 WeakPolarHBondContact O-CB 3.47Å; P89-Y93 PolarHBondContact O-N 3.44Å
90F92Very high89.6Confident142 Ų14283.8 Ų83.862%0.62342%0.417SS*.Hα-helixtrans-64.7-43.8174.2-174.9-95.6000111.4V87 Y88 Y93 F94V87-F90 WeakPolarHBondContact O-CB 3.46Å; V87-F90 PolarHBondContact O-N 3.37Å; Y88-F90 VanDerWaalsContact C-N 3.26Å; Y88-F90 PolarHBondContact O-N 2.88Å; F90-Y93 PolarHBondContact O-N 3.2Å; F90-F94 WeakPolarHBondContact O-CB 3.48Å; F90-F94 PolarHBondContact O-N 3.34Å
91C91.3Very high89.8Confident57 Ų5782.5 Ų82.539%0.38541%0.407SS..Hα-helixtrans-60.4-45.3174.1-700000112.1V87 Y88 F94 L95V87-C91 PolarHBondContact O-N 2.67Å; V87-C91 PolarHBondContact O-SG 2.84Å; V87-C91 VanDerWaalsContact O-SG 3.38Å; Y88-C91 WeakPolarHBondContact O-CB 3.44Å; Y88-C91 PolarHBondContact O-N 2.97Å; C91-F94 PolarHBondContact O-N 2.95Å; C91-L95 WeakPolarHBondContact O-CB 3.25Å; C91-L95 VanDerWaalsContact O-CG 3.27Å; C91-L95 WeakPolarHBondContact O-CG 3.38Å; C91-L95 PolarHBondContact O-N 2.7Å
92I91.8Very high90Very high31 Ų3186.7 Ų86.716%0.15943%0.427CS..Hα-helixtrans-64.8-42.4178.1-64.2-61.8000111.5S55 Y88 P89 F94 L95 K96S55-I92 WeakPolarHBondContact OG-CD1 3.13Å; Y88-I92 HydrophobicContact CD1-CG1 4.34Å; Y88-I92 HydrophobicContact CE1-CG1 3.86Å; Y88-I92 HydrophobicContact CE2-CG1 4.44Å; Y88-I92 WeakPolarHBondContact O-CG1 3.49Å; Y88-I92 PolarHBondContact O-N 2.9Å; P89-I92 PolarHBondContact O-N 2.84Å; I92-F94 VanDerWaalsContact C-N 3.35Å; I92-F94 PolarHBondContact O-N 3.12Å; I92-L95 HydrophobicContact CD1-CD1 4.43Å; I92-L95 PolarHBondContact O-N 3.41Å; I92-K96 WeakPolarHBondContact O-CB 3.41Å; I92-K96 PolarHBondContact O-N 3.39Å
93Y91Very high90.2Very high157 Ų15784.6 Ų84.662%0.61641%0.408SS*.Hα-helixtrans-58.8-47.1174.3174.3-93.6000111.4P89 F90 K96 Y97P89-Y93 VanDerWaalsContact O-CB 3.31Å; P89-Y93 WeakPolarHBondContact O-CB 3.47Å; P89-Y93 PolarHBondContact O-N 3.44Å; F90-Y93 PolarHBondContact O-N 3.2Å; Y93-K96 PolarHBondContact O-N 3.33Å; Y93-Y97 WeakPolarHBondContact O-CB 3.34Å; Y93-Y97 PolarHBondContact O-N 3.43Å
94F93.1Very high90.2Very high105 Ų10581.4 Ų81.446%0.46140%0.399SS..Hα-helixtrans-65.1-42.1178.9-175.3-108.2000112.6F90 C91 I92 K96 Y97 I98F90-F94 WeakPolarHBondContact O-CB 3.48Å; F90-F94 PolarHBondContact O-N 3.34Å; C91-F94 PolarHBondContact O-N 2.95Å; I92-F94 VanDerWaalsContact C-N 3.35Å; I92-F94 PolarHBondContact O-N 3.12Å; F94-K96 PolarHBondContact O-N 3.29Å; F94-Y97 WeakPolarHBondContact O-CB 3.38Å; F94-Y97 PolarHBondContact O-N 2.85Å; F94-I98 HydrophobicContact CD1-CD1 3.72Å; F94-I98 HydrophobicContact CD1-CG1 4.48Å; F94-I98 HydrophobicContact CE1-CD1 3.21Å; F94-I98 HydrophobicContact CE1-CG1 4.16Å; F94-I98 HydrophobicContact CE2-CD1 4.35Å; F94-I98 HydrophobicContact CG-CD1 4.48Å; F94-I98 HydrophobicContact CZ-CD1 3.57Å; F94-I98 HydrophobicContact CZ-CG1 4.17Å; F94-I98 WeakPolarHBondContact O-CG1 3.38Å; F94-I98 PolarHBondContact O-N 2.78Å
95L91.8Very high90.3Very high88 Ų8883.4 Ų83.446%0.46140%0.399SS..Hα-helixtrans-60.8-44.2174-75.3168.7000111.5C91 I92 Y97 I98 F99C91-L95 WeakPolarHBondContact O-CB 3.25Å; C91-L95 VanDerWaalsContact O-CG 3.27Å; C91-L95 WeakPolarHBondContact O-CG 3.38Å; C91-L95 PolarHBondContact O-N 2.7Å; I92-L95 HydrophobicContact CD1-CD1 4.43Å; I92-L95 PolarHBondContact O-N 3.41Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.19Å; L95-I98 PolarHBondContact O-N 3.38Å; L95-F99 VanDerWaalsContact O-CB 3.28Å; L95-F99 WeakPolarHBondContact O-CB 3.13Å; L95-F99 PolarHBondContact O-N 3.45Å
96K91.1Very high90.4Very high106 Ų10688.3 Ų88.346%0.46142%0.416SS..Hα-helixtrans-61.4-40.8174.7-175.4-178.5173.3179.60111.3I92 Y93 F94 F99 R100I92-K96 WeakPolarHBondContact O-CB 3.41Å; I92-K96 PolarHBondContact O-N 3.39Å; Y93-K96 PolarHBondContact O-N 3.33Å; F94-K96 PolarHBondContact O-N 3.29Å; K96-F99 PolarHBondContact O-N 2.93Å; K96-R100 WeakPolarHBondContact O-CB 3.49Å; K96-R100 PolarHBondContact O-N 2.87Å
97Y91.5Very high90.4Very high105 Ų10586.6 Ų86.641%0.41240%0.399SS..Hα-helixtrans-62.6-49.4176.6174.8-96.4000112.1Y93 F94 L95 F99 R100 M101Y93-Y97 WeakPolarHBondContact O-CB 3.34Å; Y93-Y97 PolarHBondContact O-N 3.43Å; F94-Y97 WeakPolarHBondContact O-CB 3.38Å; F94-Y97 PolarHBondContact O-N 2.85Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.19Å; Y97-F99 VanDerWaalsContact C-N 3.31Å; Y97-F99 PolarHBondContact O-N 3.25Å; Y97-R100 PolarHBondContact O-N 2.8Å; Y97-M101 WeakPolarHBondContact O-CB 3.4Å; Y97-M101 PolarHBondContact O-N 3.33Å
98I92.2Very high90.3Very high56 Ų5686.9 Ų86.929%0.28740%0.398SS..Hα-helixtrans-58.9-46.4176.3-71173.5000110.2F94 L95 M101 M102F94-I98 HydrophobicContact CD1-CD1 3.72Å; F94-I98 HydrophobicContact CD1-CG1 4.48Å; F94-I98 HydrophobicContact CE1-CD1 3.21Å; F94-I98 HydrophobicContact CE1-CG1 4.16Å; F94-I98 HydrophobicContact CE2-CD1 4.35Å; F94-I98 HydrophobicContact CG-CD1 4.48Å; F94-I98 HydrophobicContact CZ-CD1 3.57Å; F94-I98 HydrophobicContact CZ-CG1 4.17Å; F94-I98 WeakPolarHBondContact O-CG1 3.38Å; F94-I98 PolarHBondContact O-N 2.78Å; L95-I98 PolarHBondContact O-N 3.38Å; I98-M101 PolarHBondContact O-N 3.08Å; I98-M102 HydrophobicContact CG2-CG 4.29Å; I98-M102 HydrophobicContact CG2-SD 4.06Å; I98-M102 WeakPolarHBondContact O-CG 3.5Å; I98-M102 PolarHBondContact O-N 3.36Å
99F90.2Very high90.4Very high21 Ų2191.3 Ų91.39%0.09242%0.419CS..Hα-helixtrans-59.9-50.8-179.9-176.5-98.7000111.5E44 F47 V48 L95 K96 Y97 M101 M102 F103E44-F99 HydrophobicContact CG-CE1 3.8Å; E44-F99 HydrophobicContact CG-CZ 4.49Å; F47-F99 HydrophobicContact CB-CE1 4.08Å; F47-F99 HydrophobicContact CB-CE2 3.86Å; F47-F99 HydrophobicContact CB-CZ 3.35Å; F47-F99 AromaticContact CD1-CD1 3.95Å; F47-F99 HydrophobicContact CD1-CD1 3.95Å; F47-F99 AromaticContact CD1-CD2 3.38Å; F47-F99 HydrophobicContact CD1-CD2 3.38Å; F47-F99 AromaticContact CD1-CE1 3.62Å; F47-F99 HydrophobicContact CD1-CE1 3.62Å; F47-F99 AromaticContact CD1-CE2 2.96Å; F47-F99 HydrophobicContact CD1-CE2 2.96Å; F47-F99 AromaticContact CD1-CG 3.85Å; F47-F99 HydrophobicContact CD1-CG 3.85Å; F47-F99 AromaticContact CD1-CZ 3.14Å; F47-F99 HydrophobicContact CD1-CZ 3.14Å; F47-F99 AromaticContact CD2-CE2 3.74Å; F47-F99 HydrophobicContact CD2-CE2 3.74Å; F47-F99 HydrophobicContact CD2-CZ 4.16Å; F47-F99 HydrophobicContact CE1-CD1 4.35Å; F47-F99 AromaticContact CE1-CD2 3.21Å; F47-F99 HydrophobicContact CE1-CD2 3.21Å; F47-F99 HydrophobicContact CE1-CE1 4.41Å; F47-F99 AromaticContact CE1-CE2 3.25Å; F47-F99 HydrophobicContact CE1-CE2 3.25Å; F47-F99 AromaticContact CE1-CG 3.8Å; F47-F99 HydrophobicContact CE1-CG 3.8Å; F47-F99 AromaticContact CE1-CZ 3.92Å; F47-F99 HydrophobicContact CE1-CZ 3.92Å; F47-F99 HydrophobicContact CE2-CD2 4.48Å; F47-F99 AromaticContact CE2-CE2 3.98Å; F47-F99 HydrophobicContact CE2-CE2 3.98Å; F47-F99 HydrophobicContact CG-CD2 4.1Å; F47-F99 HydrophobicContact CG-CE1 4.11Å; F47-F99 AromaticContact CG-CE2 3.22Å; F47-F99 HydrophobicContact CG-CE2 3.22Å; F47-F99 AromaticContact CG-CZ 3.27Å; F47-F99 HydrophobicContact CG-CZ 3.27Å; F47-F99 AromaticContact CZ-CD2 3.81Å; F47-F99 HydrophobicContact CZ-CD2 3.81Å; F47-F99 AromaticContact CZ-CE2 3.75Å; F47-F99 HydrophobicContact CZ-CE2 3.75Å; V48-F99 HydrophobicContact CG2-CD1 4.18Å; V48-F99 HydrophobicContact CG2-CE1 3.93Å; L95-F99 VanDerWaalsContact O-CB 3.28Å; L95-F99 WeakPolarHBondContact O-CB 3.13Å; L95-F99 PolarHBondContact O-N 3.45Å; K96-F99 PolarHBondContact O-N 2.93Å; Y97-F99 VanDerWaalsContact C-N 3.31Å; Y97-F99 PolarHBondContact O-N 3.25Å; F99-M101 VanDerWaalsContact C-N 3.29Å; F99-M101 PolarHBondContact O-N 3.48Å; F99-M102 PolarHBondContact O-N 3.42Å; F99-M102 VanDerWaalsContact O-N 3.13Å; F99-F103 HydrophobicContact CD1-CD2 4.08Å; F99-F103 AromaticContact CD2-CD2 3.73Å; F99-F103 HydrophobicContact CD2-CD2 3.73Å; F99-F103 AromaticContact CD2-CE2 3.56Å; F99-F103 HydrophobicContact CD2-CE2 3.56Å; F99-F103 HydrophobicContact CE1-CD1 4.45Å; F99-F103 AromaticContact CE1-CD2 3.73Å; F99-F103 HydrophobicContact CE1-CD2 3.73Å; F99-F103 AromaticContact CE1-CE2 3.94Å; F99-F103 HydrophobicContact CE1-CE2 3.94Å; F99-F103 HydrophobicContact CE1-CG 4.04Å; F99-F103 HydrophobicContact CE1-CZ 4.31Å; F99-F103 AromaticContact CE2-CD2 3.37Å; F99-F103 HydrophobicContact CE2-CD2 3.37Å; F99-F103 HydrophobicContact CE2-CE1 4.39Å; F99-F103 AromaticContact CE2-CE2 2.84Å; F99-F103 HydrophobicContact CE2-CE2 2.84Å; F99-F103 HydrophobicContact CE2-CG 4.37Å; F99-F103 AromaticContact CE2-CZ 3.43Å; F99-F103 HydrophobicContact CE2-CZ 3.43Å; F99-F103 VanDerWaalsContact CE2-CZ 3.43Å; F99-F103 HydrophobicContact CG-CD2 4.07Å; F99-F103 HydrophobicContact CG-CE2 4.33Å; F99-F103 HydrophobicContact CZ-CD1 4.12Å; F99-F103 AromaticContact CZ-CD2 3.33Å; F99-F103 HydrophobicContact CZ-CD2 3.33Å; F99-F103 AromaticContact CZ-CE1 3.82Å; F99-F103 HydrophobicContact CZ-CE1 3.82Å; F99-F103 AromaticContact CZ-CE2 3.04Å; F99-F103 HydrophobicContact CZ-CE2 3.04Å; F99-F103 AromaticContact CZ-CG 3.9Å; F99-F103 HydrophobicContact CZ-CG 3.9Å; F99-F103 AromaticContact CZ-CZ 3.27Å; F99-F103 HydrophobicContact CZ-CZ 3.27Å; F99-F103 WeakPolarHBondContact O-CD2 3.48Å; F99-F103 PolarHBondContact O-N 2.83Å
100R89.1Confident90.4Very high151 Ų15188.9 Ų88.957%0.5740%0.403SS*.Hα-helixtrans-55.7-45.1175.3-169.3-172.986.9-1598.3111.5K96 Y97 S104K96-R100 WeakPolarHBondContact O-CB 3.49Å; K96-R100 PolarHBondContact O-N 2.87Å; Y97-R100 PolarHBondContact O-N 2.8Å; R100-S104 WeakPolarHBondContact O-CB 3.39Å; R100-S104 PolarHBondContact O-N 3.21Å
101M89.7Confident90.4Very high57 Ų5783.7 Ų83.728%0.28138%0.381SS..Hα-helixtrans-63.2-43.1178.3-175-169.666.800111.7Y97 I98 F99 R105Y97-M101 WeakPolarHBondContact O-CB 3.4Å; Y97-M101 PolarHBondContact O-N 3.33Å; I98-M101 PolarHBondContact O-N 3.08Å; F99-M101 VanDerWaalsContact C-N 3.29Å; F99-M101 PolarHBondContact O-N 3.48Å; M101-R105 VanDerWaalsContact O-CB 3.28Å; M101-R105 WeakPolarHBondContact O-CB 3.3Å; M101-R105 WeakPolarHBondContact O-CG 3.3Å; M101-R105 PolarHBondContact O-N 3.05Å; M101-R105 VanDerWaalsContact SD-CZ 3.59Å; M101-R105 PolarHBondContact SD-NH2 2.98Å
102M88.9Confident90.5Very high117 Ų11785.1 Ų85.158%0.57638%0.382SS*.Hα-helixtrans-65.8-45178.3-75.2-17265.600112.2I98 F99 R105 R106I98-M102 HydrophobicContact CG2-CG 4.29Å; I98-M102 HydrophobicContact CG2-SD 4.06Å; I98-M102 WeakPolarHBondContact O-CG 3.5Å; I98-M102 PolarHBondContact O-N 3.36Å; F99-M102 PolarHBondContact O-N 3.42Å; F99-M102 VanDerWaalsContact O-N 3.13Å; M102-R105 PolarHBondContact O-N 3.03Å; M102-R106 PolarHBondContact O-N 3.16Å
103F88Confident90.6Very high38 Ų3889 Ų8917%0.16740%0.398CS..Hα-helixtrans-67-46.3179-87.8-105000111.5E44 F99 R105 R106 V107E44-F103 HydrophobicContact CB-CD1 3.84Å; E44-F103 HydrophobicContact CB-CE1 4.19Å; E44-F103 HydrophobicContact CG-CB 4.47Å; E44-F103 HydrophobicContact CG-CD1 4.01Å; E44-F103 HydrophobicContact CG-CG 4.3Å; F99-F103 HydrophobicContact CD1-CD2 4.08Å; F99-F103 AromaticContact CD2-CD2 3.73Å; F99-F103 HydrophobicContact CD2-CD2 3.73Å; F99-F103 AromaticContact CD2-CE2 3.56Å; F99-F103 HydrophobicContact CD2-CE2 3.56Å; F99-F103 HydrophobicContact CE1-CD1 4.45Å; F99-F103 AromaticContact CE1-CD2 3.73Å; F99-F103 HydrophobicContact CE1-CD2 3.73Å; F99-F103 AromaticContact CE1-CE2 3.94Å; F99-F103 HydrophobicContact CE1-CE2 3.94Å; F99-F103 HydrophobicContact CE1-CG 4.04Å; F99-F103 HydrophobicContact CE1-CZ 4.31Å; F99-F103 AromaticContact CE2-CD2 3.37Å; F99-F103 HydrophobicContact CE2-CD2 3.37Å; F99-F103 HydrophobicContact CE2-CE1 4.39Å; F99-F103 AromaticContact CE2-CE2 2.84Å; F99-F103 HydrophobicContact CE2-CE2 2.84Å; F99-F103 HydrophobicContact CE2-CG 4.37Å; F99-F103 AromaticContact CE2-CZ 3.43Å; F99-F103 HydrophobicContact CE2-CZ 3.43Å; F99-F103 VanDerWaalsContact CE2-CZ 3.43Å; F99-F103 HydrophobicContact CG-CD2 4.07Å; F99-F103 HydrophobicContact CG-CE2 4.33Å; F99-F103 HydrophobicContact CZ-CD1 4.12Å; F99-F103 AromaticContact CZ-CD2 3.33Å; F99-F103 HydrophobicContact CZ-CD2 3.33Å; F99-F103 AromaticContact CZ-CE1 3.82Å; F99-F103 HydrophobicContact CZ-CE1 3.82Å; F99-F103 AromaticContact CZ-CE2 3.04Å; F99-F103 HydrophobicContact CZ-CE2 3.04Å; F99-F103 AromaticContact CZ-CG 3.9Å; F99-F103 HydrophobicContact CZ-CG 3.9Å; F99-F103 AromaticContact CZ-CZ 3.27Å; F99-F103 HydrophobicContact CZ-CZ 3.27Å; F99-F103 WeakPolarHBondContact O-CD2 3.48Å; F99-F103 PolarHBondContact O-N 2.83Å; F103-R105 VanDerWaalsContact C-N 3.31Å; F103-R105 PolarHBondContact O-N 2.65Å; F103-R106 WeakPolarHBondContact O-CB 3.41Å; F103-R106 PolarHBondContact O-N 3.49Å; F103-V107 WeakPolarHBondContact O-CG2 3.45Å; F103-V107 PolarHBondContact O-N 2.94Å
104S87.9Confident90.6Very high57 Ų5781.9 Ų81.940%0.39937%0.37SS..Hα-helixtrans-57-44.8172.8176.80000111.5R100 R106 V107 N108R100-S104 WeakPolarHBondContact O-CB 3.39Å; R100-S104 PolarHBondContact O-N 3.21Å; S104-R106 VanDerWaalsContact C-N 3.32Å; S104-R106 PolarHBondContact O-N 3.37Å; S104-V107 PolarHBondContact O-N 3.48Å; S104-N108 VanDerWaalsContact O-CB 3.23Å; S104-N108 WeakPolarHBondContact O-CB 3.32Å; S104-N108 PolarHBondContact O-N 3.31Å; S104-N108 PolarHBondContact O-ND2 3.36Å; S104-N108 PolarHBondContact O-OD1 3.19Å; S104-N108 PolarHBondContact OG-ND2 3.26Å
105R90.5Very high90.6Very high147 Ų14781.4 Ų81.456%0.55537%0.368SS*.Hα-helixtrans-61.5-37.6174.9-77.9175.7177.9179.91.8112.7M101 M102 F103 K109M101-R105 VanDerWaalsContact O-CB 3.28Å; M101-R105 WeakPolarHBondContact O-CB 3.3Å; M101-R105 WeakPolarHBondContact O-CG 3.3Å; M101-R105 PolarHBondContact O-N 3.05Å; M101-R105 VanDerWaalsContact SD-CZ 3.59Å; M101-R105 PolarHBondContact SD-NH2 2.98Å; M102-R105 PolarHBondContact O-N 3.03Å; F103-R105 VanDerWaalsContact C-N 3.31Å; F103-R105 PolarHBondContact O-N 2.65Å; R105-K109 VanDerWaalsContact O-CG 3.31Å; R105-K109 WeakPolarHBondContact O-CG 3.28Å; R105-K109 PolarHBondContact O-N 3.33Å
106R87.9Confident90.8Very high151 Ų15185.1 Ų85.157%0.5738%0.376SS*.Hα-helixtrans-67.9-51.6177.2-176.5176.9176.9126.11.6111M102 F103 S104 N108 K109 T110M102-R106 PolarHBondContact O-N 3.16Å; F103-R106 WeakPolarHBondContact O-CB 3.41Å; F103-R106 PolarHBondContact O-N 3.49Å; S104-R106 VanDerWaalsContact C-N 3.32Å; S104-R106 PolarHBondContact O-N 3.37Å; R106-N108 VanDerWaalsContact C-N 3.34Å; R106-N108 PolarHBondContact O-N 3.02Å; R106-K109 PolarHBondContact O-N 3.35Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 VanDerWaalsContact O-N 3.12Å; R106-T110 PolarHBondContact O-OG1 3.09Å
107V88.5Confident90.8Very high23 Ų2380.9 Ų80.914%0.13936%0.359CS..Hα-helixtrans-60.3-42.8178.9173.50000111F103 S104 K109 T110 N111F103-V107 WeakPolarHBondContact O-CG2 3.45Å; F103-V107 PolarHBondContact O-N 2.94Å; S104-V107 PolarHBondContact O-N 3.48Å; V107-K109 VanDerWaalsContact C-N 3.34Å; V107-K109 PolarHBondContact O-N 3.49Å; V107-T110 PolarHBondContact O-N 3.12Å; V107-N111 WeakPolarHBondContact O-CB 3.25Å; V107-N111 VanDerWaalsContact O-CG 3.3Å; V107-N111 PolarHBondContact O-N 3.19Å; V107-N111 PolarHBondContact O-ND2 3.03Å
108N90.5Very high90.8Very high86 Ų8679.5 Ų79.546%0.4635%0.352SS..Hα-helixtrans-61.7-40.1177.6-70.6-12.3000112.2S104 R106 N111 E112S104-N108 VanDerWaalsContact O-CB 3.23Å; S104-N108 WeakPolarHBondContact O-CB 3.32Å; S104-N108 PolarHBondContact O-N 3.31Å; S104-N108 PolarHBondContact O-ND2 3.36Å; S104-N108 PolarHBondContact O-OD1 3.19Å; S104-N108 PolarHBondContact OG-ND2 3.26Å; R106-N108 VanDerWaalsContact C-N 3.34Å; R106-N108 PolarHBondContact O-N 3.02Å; N108-N111 PolarHBondContact O-N 3.03Å; N108-E112 WeakPolarHBondContact O-CG 3.36Å; N108-E112 PolarHBondContact O-N 2.85Å
109K91Very high90.9Very high151 Ų15178.6 Ų78.666%0.65735%0.353SS*.Hα-helixtrans-64.1-42175.3-74.8175.7-179.6-174.30112R105 R106 V107 E112 K113R105-K109 VanDerWaalsContact O-CG 3.31Å; R105-K109 WeakPolarHBondContact O-CG 3.28Å; R105-K109 PolarHBondContact O-N 3.33Å; R106-K109 PolarHBondContact O-N 3.35Å; V107-K109 VanDerWaalsContact C-N 3.34Å; V107-K109 PolarHBondContact O-N 3.49Å; K109-E112 PolarHBondContact O-N 3.26Å; K109-K113 WeakPolarHBondContact O-CG 3.14Å; K109-K113 PolarHBondContact O-N 2.7Å; K109-K113 VanDerWaalsContact O-N 3.09Å
110T90.8Very high90.9Very high21 Ų2180.7 Ų80.713%0.12937%0.365CS..Hα-helixtrans-63.9-44.6176.1-58.50000111.1L33 R37 R106 V107 E112 K113 L114L33-T110 HydrophobicContact CB-CG2 4.38Å; L33-T110 HydrophobicContact CD2-CG2 4.18Å; R37-T110 HydrophobicContact CB-CG2 4.12Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 VanDerWaalsContact O-N 3.12Å; R106-T110 PolarHBondContact O-OG1 3.09Å; V107-T110 PolarHBondContact O-N 3.12Å; T110-E112 PolarHBondContact O-N 3.38Å; T110-K113 PolarHBondContact O-N 3.35Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.23Å
111N91.3Very high91Very high33 Ų3375.4 Ų75.418%0.17635%0.347CS..Hα-helixtrans-60.2-42.6176.4-72.9-21.6000112.2R37 V107 N108 L114 K115R37-N111 VanDerWaalsContact CZ-OD1 3.26Å; R37-N111 PolarHBondContact NE-OD1 3.04Å; R37-N111 PolarHBondContact NH1-OD1 3.34Å; V107-N111 WeakPolarHBondContact O-CB 3.25Å; V107-N111 VanDerWaalsContact O-CG 3.3Å; V107-N111 PolarHBondContact O-N 3.19Å; V107-N111 PolarHBondContact O-ND2 3.03Å; N108-N111 PolarHBondContact O-N 3.03Å; N111-L114 PolarHBondContact O-N 3.36Å; N111-K115 VanDerWaalsContact O-CG 3.32Å; N111-K115 WeakPolarHBondContact O-CG 3.25Å; N111-K115 PolarHBondContact O-N 3.03Å
112E93.4Very high91Very high86 Ų8678.6 Ų78.640%0.40236%0.361SS..Hα-helixtrans-65.9-37.1176.9-73.6-59.1124.800112.7N108 K109 T110 K115 R116N108-E112 WeakPolarHBondContact O-CG 3.36Å; N108-E112 PolarHBondContact O-N 2.85Å; K109-E112 PolarHBondContact O-N 3.26Å; T110-E112 PolarHBondContact O-N 3.38Å; E112-K115 IonicContact OE1-NZ 3.96Å; E112-K115 PolarHBondContact OE1-NZ 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.27Å; E112-R116 PolarHBondContact O-N 3.37Å
113K93.5Very high91.1Very high114 Ų11478.8 Ų78.850%0.49636%0.359SS..Hα-helixtrans-64.5-46.9172.9-73.7-179176-168.90111.8L33 K109 T110 K115 R116 L117L33-K113 HydrophobicContact CD1-CB 4.12Å; L33-K113 HydrophobicContact CD2-CD 4.47Å; K109-K113 WeakPolarHBondContact O-CG 3.14Å; K109-K113 PolarHBondContact O-N 2.7Å; K109-K113 VanDerWaalsContact O-N 3.09Å; T110-K113 PolarHBondContact O-N 3.35Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 3.38Å; K113-R116 WeakPolarHBondContact O-CB 3.4Å; K113-R116 PolarHBondContact O-N 2.89Å; K113-L117 PolarHBondContact O-N 2.95Å
114L92.9Very high91.1Very high6 Ų677.4 Ų77.43%0.03135%0.353CS..Hα-helixtrans-62-38179.7179.7148.5000111.7E34 T110 N111 R118E34-L114 HydrophobicContact CG-CD1 3.49Å; E34-L114 VanDerWaalsContact CG-CD1 3.49Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.23Å; N111-L114 PolarHBondContact O-N 3.36Å; L114-R118 VanDerWaalsContact CD2-NE 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.03Å; L114-R118 VanDerWaalsContact O-CG 3.28Å; L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 3.49Å
115K93.1Very high91Very high95 Ų9575.2 Ų75.241%0.41334%0.337SS..Hα-helixtrans-59.9-45169.9-74.3175.3-171.6172.90112.6N111 E112 K113 A119N111-K115 VanDerWaalsContact O-CG 3.32Å; N111-K115 WeakPolarHBondContact O-CG 3.25Å; N111-K115 PolarHBondContact O-N 3.03Å; E112-K115 IonicContact OE1-NZ 3.96Å; E112-K115 PolarHBondContact OE1-NZ 3.45Å; K113-K115 VanDerWaalsContact C-N 3.3Å; K113-K115 PolarHBondContact O-N 3.38Å; K115-A119 WeakPolarHBondContact O-CB 3.33Å; K115-A119 PolarHBondContact O-N 3.48Å
116R94.2Very high90.8Very high167 Ų16774.4 Ų74.463%0.6334%0.339SS*.Hα-helixtrans-64.9-45.4179.6-69.8172-170.7-171.80.8111.6E112 K113 A119 D120E112-R116 WeakPolarHBondContact O-CG 3.27Å; E112-R116 PolarHBondContact O-N 3.37Å; K113-R116 WeakPolarHBondContact O-CB 3.4Å; K113-R116 PolarHBondContact O-N 2.89Å; R116-A119 PolarHBondContact O-N 3.13Å; R116-D120 WeakPolarHBondContact O-CB 3.12Å; R116-D120 PolarHBondContact O-N 2.85Å
117L92.3Very high90.8Very high17 Ų1770.2 Ų70.29%0.08933%0.326CS..Hα-helixtrans-63.6-43.3178.9-72.6165.7000112.2I26 E29 I30 L33 K113 A119 D120 K121I26-L117 HydrophobicContact CG2-CB 4.3Å; I26-L117 HydrophobicContact CG2-CD2 4.32Å; E29-L117 HydrophobicContact CB-CD1 4.15Å; E29-L117 HydrophobicContact CG-CD1 3.63Å; E29-L117 HydrophobicContact CG-CD2 4.42Å; E29-L117 WeakPolarHBondContact OE2-CD2 3.48Å; I30-L117 HydrophobicContact CD1-CB 4.15Å; I30-L117 HydrophobicContact CG1-CB 3.77Å; I30-L117 HydrophobicContact CG1-CD1 4.33Å; L33-L117 HydrophobicContact CD1-CD1 3.32Å; K113-L117 PolarHBondContact O-N 2.95Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.08Å; L117-D120 PolarHBondContact O-N 3.4Å; L117-K121 WeakPolarHBondContact O-CB 3.35Å; L117-K121 PolarHBondContact O-N 3.28Å
118R91.6Very high90.6Very high75 Ų7569.2 Ų69.228%0.28332%0.32SS..Hα-helixtrans-62.5-39.3174.5-71.1175.8-178.8-170.1-2.9112.1I30 E34 L114 Q122 D353I30-R118 HydrophobicContact CD1-CG 4.03Å; E34-R118 IonicContact OE1-CZ 2.9Å; E34-R118 IonicContact OE1-NE 3.48Å; E34-R118 IonicContact OE1-NH2 2.77Å; E34-R118 PolarHBondContact OE1-NH2 2.86Å; L114-R118 VanDerWaalsContact CD2-NE 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.03Å; L114-R118 VanDerWaalsContact O-CG 3.28Å; L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 3.49Å; R118-Q122 WeakPolarHBondContact O-CG 3.35Å; R118-Q122 PolarHBondContact O-N 3.44Å; R118-Q122 VanDerWaalsContact O-N 3.08Å; R118-D353 IonicContact CZ-OD2 2.91Å; R118-D353 IonicContact NH1-OD2 2.67Å; R118-D353 PolarHBondContact NH1-OD2 3.28Å; R118-D353 IonicContact NH2-OD2 3.16Å
119A92.7Very high90Very high37 Ų3769.8 Ų69.831%0.30632%0.321SS..Hα-helixtrans-66.8-39.217500000112.1K115 R116 L117 Q122 K123K115-A119 WeakPolarHBondContact O-CB 3.33Å; K115-A119 PolarHBondContact O-N 3.48Å; R116-A119 PolarHBondContact O-N 3.13Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.08Å; A119-Q122 PolarHBondContact O-N 3.44Å; A119-K123 WeakPolarHBondContact O-CG 3.23Å; A119-K123 PolarHBondContact O-N 3.42Å
120D92Very high89.7Confident65 Ų6570.4 Ų70.435%0.34833%0.326SS..Hα-helixtrans-71.4-35.2177.6-71.7-12.7000111.8R116 L117 K123 L124R116-D120 WeakPolarHBondContact O-CB 3.12Å; R116-D120 PolarHBondContact O-N 2.85Å; L117-D120 PolarHBondContact O-N 3.4Å; D120-K123 PolarHBondContact O-N 3.47Å; D120-K123 IonicContact OD1-NZ 3.84Å; D120-K123 PolarHBondContact OD1-NZ 2.91Å; D120-K123 VanDerWaalsContact OD1-NZ 3.16Å; D120-L124 VanDerWaalsContact O-CB 3.32Å; D120-L124 WeakPolarHBondContact O-CB 3.38Å; D120-L124 PolarHBondContact O-N 3.03Å
121K90.9Very high89.3Confident41 Ų4176 Ų7618%0.17835%0.349CS..Hα-helixtrans-56.5-49.5168.3-177.8179180162.70111.2I26 D27 I30 L117 L124 L125 F144I26-K121 HydrophobicContact CG2-CB 3.91Å; D27-K121 WeakPolarHBondContact OD1-CD 3.31Å; D27-K121 WeakPolarHBondContact OD1-CE 3.29Å; D27-K121 IonicContact OD1-NZ 2.8Å; D27-K121 PolarHBondContact OD1-NZ 2.85Å; D27-K121 IonicContact OD2-NZ 2.78Å; D27-K121 PolarHBondContact OD2-NZ 2.86Å; I30-K121 HydrophobicContact CD1-CD 4.41Å; L117-K121 WeakPolarHBondContact O-CB 3.35Å; L117-K121 PolarHBondContact O-N 3.28Å; K121-L124 PolarHBondContact O-N 2.67Å; K121-L125 HydrophobicContact CG-CD1 4.06Å; K121-L125 WeakPolarHBondContact O-CG 3.27Å; K121-L125 PolarHBondContact O-N 3.4Å; K121-F144 VanDerWaalsContact CE-O 3.25Å; K121-F144 WeakPolarHBondContact CE-O 3.23Å; K121-F144 PolarHBondContact NZ-O 3.44Å
122Q88.8Confident88.7Confident124 Ų12476.6 Ų76.658%0.57935%0.351SS*.Hα-helixtrans-61.4-46.8179.1-75176-300112R118 A119 L124 L125 E126R118-Q122 WeakPolarHBondContact O-CG 3.35Å; R118-Q122 PolarHBondContact O-N 3.44Å; R118-Q122 VanDerWaalsContact O-N 3.08Å; A119-Q122 PolarHBondContact O-N 3.44Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.09Å; Q122-L125 PolarHBondContact O-N 3.28Å; Q122-E126 WeakPolarHBondContact O-CG 3.3Å; Q122-E126 PolarHBondContact O-N 2.94Å
123K91Very high88.2Confident121 Ų12177.2 Ų77.253%0.52636%0.36SS..Hα-helixtrans-60.1-38.6176-70.2171.4-166.1159.80112.6A119 D120 E126 E127A119-K123 WeakPolarHBondContact O-CG 3.23Å; A119-K123 PolarHBondContact O-N 3.42Å; D120-K123 PolarHBondContact O-N 3.47Å; D120-K123 IonicContact OD1-NZ 3.84Å; D120-K123 PolarHBondContact OD1-NZ 2.91Å; D120-K123 VanDerWaalsContact OD1-NZ 3.16Å; K123-E126 PolarHBondContact O-N 3.38Å; K123-E127 WeakPolarHBondContact O-CB 3.43Å; K123-E127 PolarHBondContact O-N 2.91Å
124L87.8Confident87.5Confident8 Ų877.4 Ų77.44%0.04236%0.361CS..Hα-helixtrans-72.6-34.7-179.2-161.861.9000111.5I19 R22 L23 I26 D120 K121 Q122 E127 V128I19-L124 HydrophobicContact CG2-CD1 4.02Å; I19-L124 HydrophobicContact CG2-CD2 4.42Å; I19-L124 HydrophobicContact CG2-CG 3.95Å; R22-L124 HydrophobicContact CB-CD2 3.95Å; R22-L124 HydrophobicContact CG-CD2 3.72Å; L23-L124 HydrophobicContact CD1-CB 4.25Å; L23-L124 HydrophobicContact CD1-CD2 3.37Å; L23-L124 HydrophobicContact CD1-CG 3.51Å; L23-L124 HydrophobicContact CG-CD2 3.94Å; L23-L124 HydrophobicContact CG-CG 4.34Å; I26-L124 HydrophobicContact CD1-CD2 3.99Å; D120-L124 VanDerWaalsContact O-CB 3.32Å; D120-L124 WeakPolarHBondContact O-CB 3.38Å; D120-L124 PolarHBondContact O-N 3.03Å; K121-L124 PolarHBondContact O-N 2.67Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.09Å; L124-E127 PolarHBondContact O-N 3.15Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.48Å; L124-V128 PolarHBondContact O-N 3.32Å
125L86.5Confident87Confident12 Ų1282.9 Ų82.96%0.06339%0.391CS..Hα-helixtrans-64.5-42170.1-74.6165.5000111.8L23 K121 Q122 V128 M129 I140 L141 F144 D145L23-L125 HydrophobicContact CD2-CD2 3.57Å; L23-L125 HydrophobicContact CD2-CG 4.01Å; K121-L125 HydrophobicContact CG-CD1 4.06Å; K121-L125 WeakPolarHBondContact O-CG 3.27Å; K121-L125 PolarHBondContact O-N 3.4Å; Q122-L125 PolarHBondContact O-N 3.28Å; L125-V128 PolarHBondContact O-N 2.9Å; L125-M129 WeakPolarHBondContact O-CG 3.35Å; L125-M129 PolarHBondContact O-N 3.42Å; L125-I140 HydrophobicContact CD2-CG2 4.46Å; L125-L141 HydrophobicContact CD2-CD1 4.05Å; L125-F144 HydrophobicContact CD2-CB 4.21Å; L125-D145 HydrophobicContact CD1-CB 4Å
126E86Confident86.4Confident129 Ų12982.5 Ų82.560%0.60339%0.389SS*.Hα-helixtrans-61.9-42.6173.4-72173.4-174.700111.6Q122 K123 V128 M129 E130Q122-E126 WeakPolarHBondContact O-CG 3.3Å; Q122-E126 PolarHBondContact O-N 2.94Å; K123-E126 PolarHBondContact O-N 3.38Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.48Å; E126-M129 WeakPolarHBondContact O-CB 3.4Å; E126-M129 PolarHBondContact O-N 3.42Å; E126-M129 VanDerWaalsContact O-N 3.16Å; E126-E130 PolarHBondContact O-N 3.01Å
127E87.7Confident85.8Confident63 Ų6375 Ų7529%0.29436%0.363SS..Hα-helixtrans-61.7-40.1175.4-179.2173.3-169.300112.2K123 L124 E130 K131K123-E127 WeakPolarHBondContact O-CB 3.43Å; K123-E127 PolarHBondContact O-N 2.91Å; L124-E127 PolarHBondContact O-N 3.15Å; E127-E130 PolarHBondContact O-N 3.49Å; E127-K131 HydrophobicContact CG-CD 3.8Å; E127-K131 HydrophobicContact CG-CG 4.44Å; E127-K131 WeakPolarHBondContact O-CB 3.36Å; E127-K131 PolarHBondContact O-N 2.87Å; E127-K131 IonicContact OE1-NZ 2.69Å; E127-K131 PolarHBondContact OE1-NZ 3.06Å
128V85Confident85.3Confident3 Ų376.8 Ų76.82%0.01837%0.371CS..Hα-helixtrans-63.8-42.2173.7167.90000111I19 L23 L124 L125 E126 E130 E132 A137 I140I19-V128 HydrophobicContact CB-CG2 4.34Å; I19-V128 HydrophobicContact CD1-CG2 4.45Å; I19-V128 HydrophobicContact CG2-CG2 3.28Å; L23-V128 HydrophobicContact CD1-CG2 4.48Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.48Å; L124-V128 PolarHBondContact O-N 3.32Å; L125-V128 PolarHBondContact O-N 2.9Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.48Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 3.18Å; V128-E132 HydrophobicContact CG1-CB 4.23Å; V128-E132 HydrophobicContact CG1-CG 4.15Å; V128-E132 VanDerWaalsContact O-CB 3.28Å; V128-E132 WeakPolarHBondContact O-CB 3.45Å; V128-E132 PolarHBondContact O-N 2.91Å; V128-A137 HydrophobicContact CG1-CB 4.03Å; V128-I140 HydrophobicContact CG1-CB 4.01Å; V128-I140 HydrophobicContact CG1-CD1 3.63Å; V128-I140 HydrophobicContact CG1-CG1 4.4Å; V128-I140 HydrophobicContact CG1-CG2 4.02Å; V128-I140 HydrophobicContact CG2-CD1 4.23Å; V128-I140 HydrophobicContact CG2-CG2 4.37Å
129M78.7Confident84.9Confident97 Ų9780.2 Ų80.248%0.47839%0.39SS..Hα-helixtrans-64-34.1177.7-73.6-177.161.900112.8L125 E126 I152L125-M129 WeakPolarHBondContact O-CG 3.35Å; L125-M129 PolarHBondContact O-N 3.42Å; E126-M129 WeakPolarHBondContact O-CB 3.4Å; E126-M129 PolarHBondContact O-N 3.42Å; E126-M129 VanDerWaalsContact O-N 3.16Å; M129-I152 HydrophobicContact CE-CD1 3.65Å; M129-I152 HydrophobicContact SD-CD1 4.25Å
130E82.9Confident84.3Confident165 Ų16578.8 Ų78.877%0.77138%0.377SS*.Hα-helixtrans-82.8-38.4-178.3-169.2178.8-165.500113.2E126 E127 V128E126-E130 PolarHBondContact O-N 3.01Å; E127-E130 PolarHBondContact O-N 3.49Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 3.18Å
131K82.8Confident83.8Confident137 Ų13776.1 Ų76.160%0.59636%0.363SS*.Hα-helixtrans-102.6-30.2-169.5-63.6-177.5-174.2172.30114.9E127E127-K131 HydrophobicContact CG-CD 3.8Å; E127-K131 HydrophobicContact CG-CG 4.44Å; E127-K131 WeakPolarHBondContact O-CB 3.36Å; E127-K131 PolarHBondContact O-N 2.87Å; E127-K131 IonicContact OE1-NZ 2.69Å; E127-K131 PolarHBondContact OE1-NZ 3.06Å
132E78.6Confident83.3Confident47 Ų4779.7 Ų79.722%0.2238%0.378CS..SBendtrans-88.5153.7-175.1-63.1-77.4-165.600111V128 K136 A137V128-E132 HydrophobicContact CG1-CB 4.23Å; V128-E132 HydrophobicContact CG1-CG 4.15Å; V128-E132 VanDerWaalsContact O-CB 3.28Å; V128-E132 WeakPolarHBondContact O-CB 3.45Å; V128-E132 PolarHBondContact O-N 2.91Å; E132-K136 HydrophobicContact CB-CB 4.45Å; E132-K136 HydrophobicContact CB-CG 4.48Å; E132-K136 WeakPolarHBondContact OE1-CE 3.23Å; E132-K136 IonicContact OE1-NZ 2.79Å; E132-K136 PolarHBondContact OE1-NZ 3.46Å; E132-K136 VanDerWaalsContact OE2-CD 3.26Å; E132-K136 WeakPolarHBondContact OE2-CD 3.36Å; E132-K136 VanDerWaalsContact OE2-CE 3.28Å; E132-K136 WeakPolarHBondContact OE2-CE 3.43Å; E132-K136 IonicContact OE2-NZ 2.74Å; E132-K136 PolarHBondContact OE2-NZ 2.91Å; E132-A137 HydrophobicContact CB-CB 4.48Å
133T83Confident83.1Confident98 Ų9880.9 Ų80.960%0.60138%0.378SS*.  trans-60.5145.4176.258.50000110.4N135 K136 A137T133-N135 PolarHBondContact O-N 3.19Å; T133-K136 WeakPolarHBondContact O-CA 3.42Å; T133-K136 PolarHBondContact O-N 2.97Å; T133-A137 PolarHBondContact O-N 3.33Å
134F78.8Confident82.5Confident118 Ų11875.9 Ų75.952%0.51836%0.356SS..Hα-helixtrans-47.7-42.9-175.5-179.3-103.3000113.5A137 Q138F134-A137 PolarHBondContact O-N 3.26Å; F134-Q138 HydrophobicContact CD1-CG 4.37Å; F134-Q138 VanDerWaalsContact CE1-CD 3.47Å; F134-Q138 HydrophobicContact CE1-CG 4.22Å; F134-Q138 HydrophobicContact CE2-CG 4.49Å; F134-Q138 HydrophobicContact CZ-CG 4.31Å; F134-Q138 VanDerWaalsContact O-CB 3.31Å; F134-Q138 WeakPolarHBondContact O-CB 3.43Å; F134-Q138 VanDerWaalsContact O-CG 3.29Å; F134-Q138 WeakPolarHBondContact O-CG 3.35Å; F134-Q138 PolarHBondContact O-N 2.93Å
135N81.8Confident82Confident122 Ų12276.8 Ų76.865%0.65236%0.361SS*.Hα-helixtrans-65-40.7177.9-68-20.7000112.8T133 Q139T133-N135 PolarHBondContact O-N 3.19Å; N135-Q139 PolarHBondContact O-N 3.14Å
136K81.4Confident81.6Confident86 Ų8677.2 Ų77.237%0.37436%0.364SS..Hα-helixtrans-72.9-40.3178.7-173171.2166.3-155.40111.1E132 T133 Q139 I140E132-K136 HydrophobicContact CB-CB 4.45Å; E132-K136 HydrophobicContact CB-CG 4.48Å; E132-K136 WeakPolarHBondContact OE1-CE 3.23Å; E132-K136 IonicContact OE1-NZ 2.79Å; E132-K136 PolarHBondContact OE1-NZ 3.46Å; E132-K136 VanDerWaalsContact OE2-CD 3.26Å; E132-K136 WeakPolarHBondContact OE2-CD 3.36Å; E132-K136 VanDerWaalsContact OE2-CE 3.28Å; E132-K136 WeakPolarHBondContact OE2-CE 3.43Å; E132-K136 IonicContact OE2-NZ 2.74Å; E132-K136 PolarHBondContact OE2-NZ 2.91Å; T133-K136 WeakPolarHBondContact O-CA 3.42Å; T133-K136 PolarHBondContact O-N 2.97Å; K136-Q139 PolarHBondContact O-N 3.41Å; K136-I140 HydrophobicContact CG-CD1 4.11Å; K136-I140 VanDerWaalsContact O-CG1 3.27Å; K136-I140 WeakPolarHBondContact O-CG1 3.26Å; K136-I140 PolarHBondContact O-N 2.91Å
137A81.1Confident80.9Confident10 Ų1072.1 Ų72.18%0.08334%0.341CS..Hα-helixtrans-61.4-43.1172.500000111.8V128 E132 T133 F134 Q139 I140 L141V128-A137 HydrophobicContact CG1-CB 4.03Å; E132-A137 HydrophobicContact CB-CB 4.48Å; T133-A137 PolarHBondContact O-N 3.33Å; F134-A137 PolarHBondContact O-N 3.26Å; A137-Q139 PolarHBondContact O-N 3.39Å; A137-I140 PolarHBondContact O-N 3.43Å; A137-L141 VanDerWaalsContact O-CB 3.29Å; A137-L141 WeakPolarHBondContact O-CB 3.33Å; A137-L141 PolarHBondContact O-N 3.23Å
138Q81.5Confident80.2Confident55 Ų5571.1 Ų71.126%0.25734%0.339SS..Hα-helixtrans-61.2-42.7174.6-82.6-165.3-9.800112.7F134 L141 K142 F149F134-Q138 HydrophobicContact CD1-CG 4.37Å; F134-Q138 VanDerWaalsContact CE1-CD 3.47Å; F134-Q138 HydrophobicContact CE1-CG 4.22Å; F134-Q138 HydrophobicContact CE2-CG 4.49Å; F134-Q138 HydrophobicContact CZ-CG 4.31Å; F134-Q138 VanDerWaalsContact O-CB 3.31Å; F134-Q138 WeakPolarHBondContact O-CB 3.43Å; F134-Q138 VanDerWaalsContact O-CG 3.29Å; F134-Q138 WeakPolarHBondContact O-CG 3.35Å; F134-Q138 PolarHBondContact O-N 2.93Å; Q138-L141 PolarHBondContact O-N 3.32Å; Q138-K142 WeakPolarHBondContact O-CB 3.5Å; Q138-K142 PolarHBondContact O-N 2.93Å; Q138-F149 HydrophobicContact CB-CE2 3.93Å; Q138-F149 HydrophobicContact CG-CE2 3.96Å
139Q83.8Confident79.7Confident146 Ų14672.8 Ų72.868%0.68235%0.346SS*.Hα-helixtrans-63.6-43177.7-173.2179.137.200111.8N135 K136 A137 R143N135-Q139 PolarHBondContact O-N 3.14Å; K136-Q139 PolarHBondContact O-N 3.41Å; A137-Q139 PolarHBondContact O-N 3.39Å; Q139-R143 PolarHBondContact O-N 2.89Å
140I80Confident79.4Confident7 Ų769.6 Ų69.64%0.03634%0.335CS..Hα-helixtrans-66.5-45.3177.9-65.3168.4000109.9V20 L23 L125 V128 K136 A137 K142 R143 F144V20-I140 HydrophobicContact CG2-CD1 3.86Å; V20-I140 HydrophobicContact CG2-CG1 3.96Å; L23-I140 HydrophobicContact CD2-CG2 3.87Å; L125-I140 HydrophobicContact CD2-CG2 4.46Å; V128-I140 HydrophobicContact CG1-CB 4.01Å; V128-I140 HydrophobicContact CG1-CD1 3.63Å; V128-I140 HydrophobicContact CG1-CG1 4.4Å; V128-I140 HydrophobicContact CG1-CG2 4.02Å; V128-I140 HydrophobicContact CG2-CD1 4.23Å; V128-I140 HydrophobicContact CG2-CG2 4.37Å; K136-I140 HydrophobicContact CG-CD1 4.11Å; K136-I140 VanDerWaalsContact O-CG1 3.27Å; K136-I140 WeakPolarHBondContact O-CG1 3.26Å; K136-I140 PolarHBondContact O-N 2.91Å; A137-I140 PolarHBondContact O-N 3.43Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 3.44Å; I140-R143 VanDerWaalsContact O-N 3.08Å; I140-F144 HydrophobicContact CG2-CD2 3.78Å; I140-F144 HydrophobicContact CG2-CE2 4.28Å; I140-F144 VanDerWaalsContact O-CD2 3.31Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 2.92Å
141L81.9Confident79Confident9 Ų965 Ų655%0.04732%0.321CS..Hα-helixtrans-63.9-39.9179.7-162.969000112L125 A137 Q138 R143 F144 D145 T148 F149 I152L125-L141 HydrophobicContact CD2-CD1 4.05Å; A137-L141 VanDerWaalsContact O-CB 3.29Å; A137-L141 WeakPolarHBondContact O-CB 3.33Å; A137-L141 PolarHBondContact O-N 3.23Å; Q138-L141 PolarHBondContact O-N 3.32Å; L141-R143 PolarHBondContact O-N 3.37Å; L141-F144 PolarHBondContact O-N 3.49Å; L141-D145 HydrophobicContact CD1-CB 3.98Å; L141-D145 CarbonylContact O-C 3.05Å; L141-D145 WeakPolarHBondContact O-CA 3.46Å; L141-D145 PolarHBondContact O-N 2.79Å; L141-T148 HydrophobicContact CD1-CG2 4.08Å; L141-T148 HydrophobicContact CD2-CG2 4.09Å; L141-F149 HydrophobicContact CB-CB 4.4Å; L141-F149 HydrophobicContact CB-CD2 4.39Å; L141-F149 HydrophobicContact CD2-CB 3.97Å; L141-F149 HydrophobicContact CD2-CD2 4.36Å; L141-F149 HydrophobicContact CG-CB 3.94Å; L141-I152 HydrophobicContact CD2-CD1 3.58Å
142K81Confident78.4Confident117 Ų11761 Ų6151%0.50931%0.306SS..Hα-helixtrans-58.7-35173.9-172.1-177.5-177.1-169.40112.2Q138 I140 F149Q138-K142 WeakPolarHBondContact O-CB 3.5Å; Q138-K142 PolarHBondContact O-N 2.93Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.12Å; K142-F149 HydrophobicContact CB-CD2 4.37Å; K142-F149 HydrophobicContact CB-CG 4.36Å
143R82.9Confident77.9Confident149 Ų14960.5 Ų60.556%0.56231%0.306SS*.Hα-helixtrans-80.9-40-178.5-174.2171.6-179.7-168.8-7.7113.2E24 Q139 I140 L141E24-R143 IonicContact OE1-CZ 3.87Å; E24-R143 IonicContact OE1-NH2 3.66Å; E24-R143 PolarHBondContact OE1-NH2 3.03Å; Q139-R143 PolarHBondContact O-N 2.89Å; I140-R143 PolarHBondContact O-N 3.44Å; I140-R143 VanDerWaalsContact O-N 3.08Å; L141-R143 PolarHBondContact O-N 3.37Å
144F78.8Confident77.1Confident15 Ų1559.3 Ų59.37%0.06630%0.298CS..Hα-helixtrans-110.6-16.5-167.6-65.2-79.2000114.9V20 L23 E24 D27 K121 L125 I140 L141V20-F144 HydrophobicContact CG1-CE2 4.09Å; V20-F144 HydrophobicContact CG1-CZ 4.16Å; L23-F144 HydrophobicContact CB-CD1 3.89Å; L23-F144 HydrophobicContact CB-CD2 4.2Å; L23-F144 HydrophobicContact CB-CE1 3.73Å; L23-F144 HydrophobicContact CB-CE2 4.05Å; L23-F144 HydrophobicContact CB-CG 4.13Å; L23-F144 HydrophobicContact CB-CZ 3.81Å; L23-F144 HydrophobicContact CD2-CB 3.69Å; L23-F144 HydrophobicContact CD2-CD1 4.09Å; L23-F144 HydrophobicContact CD2-CD2 3.57Å; L23-F144 HydrophobicContact CD2-CE2 4.18Å; L23-F144 HydrophobicContact CD2-CG 3.52Å; L23-F144 HydrophobicContact CG-CG 4.46Å; E24-F144 HydrophobicContact CB-CE1 4.34Å; E24-F144 HydrophobicContact CB-CZ 4.37Å; D27-F144 VanDerWaalsContact OD2-CD1 3.32Å; D27-F144 WeakPolarHBondContact OD2-CD1 3.03Å; K121-F144 VanDerWaalsContact CE-O 3.25Å; K121-F144 WeakPolarHBondContact CE-O 3.23Å; K121-F144 PolarHBondContact NZ-O 3.44Å; L125-F144 HydrophobicContact CD2-CB 4.21Å; I140-F144 HydrophobicContact CG2-CD2 3.78Å; I140-F144 HydrophobicContact CG2-CE2 4.28Å; I140-F144 VanDerWaalsContact O-CD2 3.31Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 2.92Å; L141-F144 PolarHBondContact O-N 3.49Å
145D78.5Confident76.2Confident27 Ų2759.7 Ų59.714%0.14430%0.302CS..  trans-152.378.6174.7-170.1-8.7000111.7L125 L141 L147 T148 F149 H355L125-D145 HydrophobicContact CD1-CB 4Å; L141-D145 HydrophobicContact CD1-CB 3.98Å; L141-D145 CarbonylContact O-C 3.05Å; L141-D145 WeakPolarHBondContact O-CA 3.46Å; L141-D145 PolarHBondContact O-N 2.79Å; D145-L147 PolarHBondContact O-N 3.27Å; D145-L147 VanDerWaalsContact O-N 3.16Å; D145-L147 PolarHBondContact OD1-N 2.9Å; D145-T148 VanDerWaalsContact CG-CB 3.49Å; D145-T148 PolarHBondContact O-N 3.43Å; D145-T148 PolarHBondContact OD1-N 2.77Å; D145-T148 VanDerWaalsContact OD1-N 3.12Å; D145-T148 PolarHBondContact OD1-OG1 3.48Å; D145-T148 VanDerWaalsContact OD2-CB 3.22Å; D145-T148 WeakPolarHBondContact OD2-CB 3.07Å; D145-T148 PolarHBondContact OD2-OG1 3.24Å; D145-F149 PolarHBondContact O-N 3Å; D145-F149 VanDerWaalsContact O-N 3.14Å; D145-H355 IonicContact OD1-CE1 2.74Å
146P77.5Confident75Confident21 Ų2159.1 Ų59.114%0.13630%0.299CS..Hα-helixtrans-62.3-24.7-176.625.2-34.2000112.9A150 A359 F362P146-A150 WeakPolarHBondContact O-CB 3.3Å; P146-A150 PolarHBondContact O-N 3.45Å; P146-A359 HydrophobicContact CG-CB 4.23Å; P146-F362 HydrophobicContact CB-CD1 4.1Å; P146-F362 HydrophobicContact CB-CE1 4.48Å
147L71.1Confident73.9Confident23 Ų2363.9 Ų63.912%0.1232%0.32CS..Hα-helixtrans-75.6-43.8-179.1-60.3-164.3000111.8D145 F149 A150 S151 H355 L358D145-L147 PolarHBondContact O-N 3.27Å; D145-L147 VanDerWaalsContact O-N 3.16Å; D145-L147 PolarHBondContact OD1-N 2.9Å; L147-F149 VanDerWaalsContact C-N 3.28Å; L147-F149 PolarHBondContact O-N 3.04Å; L147-A150 PolarHBondContact O-N 2.95Å; L147-S151 PolarHBondContact O-N 2.74Å; L147-H355 HydrophobicContact CD1-CB 4.18Å; L147-H355 WeakPolarHBondContact CD1-O 3.22Å; L147-L358 HydrophobicContact CD1-CB 3.97Å; L147-L358 HydrophobicContact CD1-CD2 4.22Å; L147-L358 HydrophobicContact CD2-CB 3.98Å; L147-L358 HydrophobicContact CD2-CD2 3.32Å; L147-L358 HydrophobicContact CD2-CG 4.19Å; L147-L358 HydrophobicContact CG-CD2 4.41Å
148T72.9Confident72.6Confident41 Ų4170.5 Ų70.525%0.25235%0.346SS..Hα-helixtrans-64.8-37.7174.1-59.10000110.1L141 D145 S151 I152L141-T148 HydrophobicContact CD1-CG2 4.08Å; L141-T148 HydrophobicContact CD2-CG2 4.09Å; D145-T148 VanDerWaalsContact CG-CB 3.49Å; D145-T148 PolarHBondContact O-N 3.43Å; D145-T148 PolarHBondContact OD1-N 2.77Å; D145-T148 VanDerWaalsContact OD1-N 3.12Å; D145-T148 PolarHBondContact OD1-OG1 3.48Å; D145-T148 VanDerWaalsContact OD2-CB 3.22Å; D145-T148 WeakPolarHBondContact OD2-CB 3.07Å; D145-T148 PolarHBondContact OD2-OG1 3.24Å; T148-S151 PolarHBondContact O-N 3.32Å; T148-S151 PolarHBondContact O-OG 2.94Å; T148-I152 HydrophobicContact CG2-CD1 4.04Å; T148-I152 WeakPolarHBondContact O-CG1 2.99Å; T148-I152 PolarHBondContact O-N 2.98Å
149F74.5Confident70.7Confident39 Ų3973.1 Ų73.117%0.17137%0.366CS..Hα-helixtrans-60.9-45.8172.2-177.3-100000113.1Q138 L141 K142 D145 L147 S151 I152 T153Q138-F149 HydrophobicContact CB-CE2 3.93Å; Q138-F149 HydrophobicContact CG-CE2 3.96Å; L141-F149 HydrophobicContact CB-CB 4.4Å; L141-F149 HydrophobicContact CB-CD2 4.39Å; L141-F149 HydrophobicContact CD2-CB 3.97Å; L141-F149 HydrophobicContact CD2-CD2 4.36Å; L141-F149 HydrophobicContact CG-CB 3.94Å; K142-F149 HydrophobicContact CB-CD2 4.37Å; K142-F149 HydrophobicContact CB-CG 4.36Å; D145-F149 PolarHBondContact O-N 3Å; D145-F149 VanDerWaalsContact O-N 3.14Å; L147-F149 VanDerWaalsContact C-N 3.28Å; L147-F149 PolarHBondContact O-N 3.04Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 3.2Å; F149-I152 PolarHBondContact O-N 2.86Å; F149-T153 HydrophobicContact CD1-CG2 4.18Å; F149-T153 HydrophobicContact CD2-CG2 4.3Å; F149-T153 HydrophobicContact CE1-CG2 3.76Å; F149-T153 HydrophobicContact CE2-CG2 3.88Å; F149-T153 HydrophobicContact CG-CG2 4.43Å; F149-T153 HydrophobicContact CZ-CG2 3.6Å; F149-T153 WeakPolarHBondContact O-CB 3.48Å; F149-T153 WeakPolarHBondContact O-CG2 3.28Å; F149-T153 PolarHBondContact O-N 2.92Å; F149-T153 PolarHBondContact O-OG1 3.42Å
150A73.7Confident68.8Low30 Ų3071.5 Ų71.525%0.24837%0.368CS..Hα-helixtrans-60.7-41.117600000111.6P146 L147 T153 V154P146-A150 WeakPolarHBondContact O-CB 3.3Å; P146-A150 PolarHBondContact O-N 3.45Å; L147-A150 PolarHBondContact O-N 2.95Å; A150-T153 WeakPolarHBondContact CA-OG1 3.49Å; A150-T153 PolarHBondContact O-OG1 3.2Å; A150-T153 VanDerWaalsContact O-OG1 3.08Å; A150-V154 WeakPolarHBondContact O-CB 3.23Å; A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 3.5Å; A150-V154 VanDerWaalsContact O-N 3.12Å
151S73Confident67.1Low67 Ų6780 Ų8047%0.46941%0.405SS..Hα-helixtrans-65.5-40.6178.577.10000113L147 T148 F149 E155L147-S151 PolarHBondContact O-N 2.74Å; T148-S151 PolarHBondContact O-N 3.32Å; T148-S151 PolarHBondContact O-OG 2.94Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 3.2Å; S151-E155 PolarHBondContact O-N 2.9Å
152I69.7Low65Low54 Ų5485.5 Ų85.528%0.27744%0.441SS..Hα-helixtrans-70.1-44.1179.4-66.5173.3000110.7M129 L141 T148 F149 V154 E155 D156M129-I152 HydrophobicContact CE-CD1 3.65Å; M129-I152 HydrophobicContact SD-CD1 4.25Å; L141-I152 HydrophobicContact CD2-CD1 3.58Å; T148-I152 HydrophobicContact CG2-CD1 4.04Å; T148-I152 WeakPolarHBondContact O-CG1 2.99Å; T148-I152 PolarHBondContact O-N 2.98Å; F149-I152 PolarHBondContact O-N 2.86Å; I152-V154 VanDerWaalsContact C-N 3.29Å; I152-V154 PolarHBondContact O-N 3.34Å; I152-E155 PolarHBondContact O-N 3.49Å; I152-D156 PolarHBondContact O-N 3.32Å
153T70Confident63.4Low37 Ų3786.5 Ų86.523%0.22746%0.457CS..Hα-helixtrans-67.4-26.9-179.753.20000113.6F149 A150F149-T153 HydrophobicContact CD1-CG2 4.18Å; F149-T153 HydrophobicContact CD2-CG2 4.3Å; F149-T153 HydrophobicContact CE1-CG2 3.76Å; F149-T153 HydrophobicContact CE2-CG2 3.88Å; F149-T153 HydrophobicContact CG-CG2 4.43Å; F149-T153 HydrophobicContact CZ-CG2 3.6Å; F149-T153 WeakPolarHBondContact O-CB 3.48Å; F149-T153 WeakPolarHBondContact O-CG2 3.28Å; F149-T153 PolarHBondContact O-N 2.92Å; F149-T153 PolarHBondContact O-OG1 3.42Å; A150-T153 WeakPolarHBondContact CA-OG1 3.49Å; A150-T153 PolarHBondContact O-OG1 3.2Å; A150-T153 VanDerWaalsContact O-OG1 3.08Å
154V66.3Low61.3Low72 Ų7289.6 Ų89.644%0.43647%0.474SS..Hα-helixtrans-74.6-35.8175170.10000112.2A150 I152A150-V154 WeakPolarHBondContact O-CB 3.23Å; A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 3.5Å; A150-V154 VanDerWaalsContact O-N 3.12Å; I152-V154 VanDerWaalsContact C-N 3.29Å; I152-V154 PolarHBondContact O-N 3.34Å
155E59.5Low59.4Low127 Ų12791.9 Ų91.959%0.59350%0.503SS*.Hα-helixtrans-70.6-38.5177.5-71.1-70141.100111.7S151 I152 K157 K158S151-E155 PolarHBondContact O-N 2.9Å; I152-E155 PolarHBondContact O-N 3.49Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 2.85Å; E155-K158 PolarHBondContact O-N 3.49Å; E155-K158 VanDerWaalsContact O-N 3.07Å
156D56.4Low57.6Low109 Ų10995 Ų9558%0.58353%0.526SS*.Hα-helixtrans-66.7-27.4-178.9-135.71.8000112.7I152 K158I152-D156 PolarHBondContact O-N 3.32Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 2.88Å
157K57.2Low56Low187 Ų187102 Ų10281%0.81356%0.559SS**THydrogen-bonded Turntrans-80.5-5.6175.4-69.9-178.6-179.2-179.50114.2E155E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 2.85Å
158K53.6Low54.8Low148 Ų148107.8 Ų107.864%0.64359%0.589SS**THydrogen-bonded Turntrans-109.612.3-173.6-80-175.2-179.2-179.30115.5E155 D156 P160E155-K158 PolarHBondContact O-N 3.49Å; E155-K158 VanDerWaalsContact O-N 3.07Å; D156-K158 VanDerWaalsContact C-N 3.32Å; D156-K158 PolarHBondContact O-N 2.88Å; K158-P160 VanDerWaalsContact C-CD 3.47Å; K158-P160 WeakPolarHBondContact O-CD 3.46Å
159V43.5Very low53.3Low110 Ų110112.5 Ų112.567%0.66761%0.612SS**  trans-104.988.5178.7-170.20000112.8
160P42.6Very low51.6Low112 Ų112118.2 Ų118.273%0.72764%0.644SS**  trans-81.6117.4150.219-7.4000109.1K158 P162K158-P160 VanDerWaalsContact C-CD 3.47Å; K158-P160 WeakPolarHBondContact O-CD 3.46Å; P160-P162 WeakPolarHBondContact O-CD 3.4Å
161K45.4Very low50.2Low186 Ų186119.9 Ų119.981%0.80966%0.664SS**  trans-54.8122.1171.9-68.8173.3178.2175.10110.4
162P37.8Very low49Very low125 Ų125123.5 Ų123.581%0.81268%0.684SS**  trans-91.4105.2168.432.4-24.1000108.9P160P160-P162 WeakPolarHBondContact O-CD 3.4Å
163V47.3Very low47.6Very low138 Ų138126.5 Ų126.584%0.83671%0.706SS**  trans-9996.6164.9-1790000107.2
164F37.5Very low46.4Very low213 Ų213133.7 Ų133.793%0.93474%0.737SS**  trans-89.9115.5165.3-169.2-93.9000107.1
165G39.9Very low45.5Very low64 Ų64133.9 Ų133.966%0.6674%0.741SS**  trans-166.781.4-177.300000111.8
166S41Very low44.8Very low91 Ų91135.7 Ų135.764%0.63675%0.75SS**  trans22.7124144.4-153.90000119.3
167M44.1Very low44.3Very low169 Ų169136.9 Ų136.983%0.83376%0.761SS**  169107.5106.1-83.5177.8-140.100112.8
168I46.1Very low43.9Very low144 Ų144137.6 Ų137.674%0.73876%0.759SS**  trans24.9137.6131.5-29.5176000120.8
169N40.5Very low43.5Very low140 Ų140140.2 Ų140.275%0.74977%0.765SS**  trans92.4142.7156.8-71.8-37.9000118.4
170L38Very low43.4Very low160 Ų160146 Ų14684%0.83877%0.774SS**  cis179.4139.7-13.9-179.666.5000106.6
171G44.1Very low43.6Very low65 Ų65146.3 Ų146.367%0.6777%0.77SS**  trans86.1132.1164.500000115.3
172T48.9Very low43.8Very low143 Ų143143.2 Ų143.288%0.87776%0.762SS**  cis-166153.826.628.30000110.3
173P39.8Very low44.1Very low116 Ų116142.4 Ų142.475%0.75376%0.76SS**  trans-118.1144179.638.3-25.8000114.8
174H45.7Very low43.9Very low189 Ų189139 Ų13988%0.87575%0.752SS**  trans179.7154.1162.6-126.8-93.3000108.8
175S47.6Very low44.2Very low75 Ų75135 Ų13552%0.52474%0.741SS.*  cis-168.4177-42.361.50000106
176E44.6Very low44.3Very low165 Ų165140.9 Ų140.977%0.77175%0.748SS**  trans75.9113.5172.6-101.181.9-164.600118.1
177V46Very low44.2Very low135 Ų135145 Ų14582%0.81876%0.757SS**  cis71.1103.244.1-172.60000115.4
178R48.4Very low43.8Very low202 Ų202144.4 Ų144.476%0.76276%0.756SS**  trans-167.1120136.2-149.5170.4172.392.6-5.2116.5
179R45.5Very low43.6Very low203 Ų203143.3 Ų143.377%0.76676%0.756SS**  trans31.8138.3139-56-176.3-178.1-169.70.7121.7
180R40.3Very low43.6Very low230 Ų230142.9 Ų142.987%0.86876%0.761SS**  cis101.9142.535.2-158.4-167.7-174.9152.95.7113.3
181N47.5Very low43.5Very low120 Ų120138.4 Ų138.464%0.64275%0.754SS**  trans92.3146.6162.4-8410.5000116.4
182N50Low43.4Very low121 Ų121142.6 Ų142.665%0.64776%0.76SS**  cis-167138.48.5-122.112.1000106.6
183S42.9Very low43.2Very low108 Ų108143.5 Ų143.576%0.75576%0.758SS**  86.8136.299.1-59.30000117.2
184G44.5Very low43.4Very low65 Ų65141.4 Ų141.467%0.6776%0.758SS**  trans147.174.4167.800000111.4
185D44.1Very low43.8Very low131 Ų131137.9 Ų137.970%0.70175%0.752SS**  79.7101.1101.8-73.7-41000113.6
186K40.5Very low43.7Very low187 Ų187141.1 Ų141.181%0.81376%0.763SS**  65.3113.592-69.6177.2-168.2167.80113.8
187H39.6Very low43.8Very low178 Ų178139.1 Ų139.182%0.82476%0.757SS**  -175.8137.8108.1-153.5-83000111.6
188L36.4Very low43.8Very low156 Ų156138 Ų13882%0.81775%0.751SS**  trans-81.1165.4176.6-68.6141.3000111.3
189T41.6Very low43.5Very low121 Ų121133 Ų13374%0.74274%0.743SS**  trans147.3124.9131.2-53.60000112.1
190P39.5Very low43.5Very low130 Ų130131.4 Ų131.484%0.84474%0.744SS**  trans-105.8159.517538.1-28.9000113.9
191G36Very low43.6Very low67 Ų67125 Ų12569%0.69173%0.734SS**  trans154.7149.8176.300000108.7
192L42.4Very low43.4Very low152 Ų152124.2 Ų124.280%0.79674%0.739SS**  cis-172.5146.919.4-132.770.1000106.4
193L45.1Very low43.5Very low162 Ų162125.4 Ų125.485%0.84875%0.75SS**  trans68.9133.7141.5-64161.4000123
194G42.8Very low43.6Very low73 Ų73125.3 Ų125.375%0.75375%0.747SS**  trans156.396.314500000115.9
195P55Low43.5Very low114 Ų114130.2 Ų130.274%0.7476%0.755SS**  trans-104.7172-168.839.8-32.3000113.9
196N44.4Very low43.4Very low143 Ų143131.4 Ų131.477%0.76576%0.76SS**  trans167.8145.7149-87.9-16.4000108.4
197L48Very low43.1Very low123 Ų123126.1 Ų126.164%0.64476%0.759SS**  cis-169.9140-1-107.9154.1000105.2
198T45Very low43.4Very low111 Ų111123.7 Ų123.768%0.68176%0.762SS**  trans64.6136.9139.953.90000120.2
199T42.3Very low43.3Very low97 Ų97123 Ų12360%0.59576%0.759SS**  cis-177.8148.29.4170000110.6
200Q45.6Very low43.3Very low171 Ų171125.3 Ų125.380%0.79976%0.761SS**  trans71135.7139.7-67.8172.387.600117.7
201S43.3Very low43.2Very low94 Ų94125.1 Ų125.166%0.65776%0.758SS**  cis179.7115.48.236.60000106.4
202S41.9Very low43.5Very low105 Ų105128.3 Ų128.373%0.73477%0.767SS**  49.3115102.366.30000118.2
203T53.2Low43.1Very low145 Ų145126.1 Ų126.189%0.8976%0.763SS**  -172.9140.1113.418.90000113.7
204P44Very low43.3Very low106 Ų106123.9 Ų123.969%0.68876%0.761SS**  trans-114.2147.9-179.139.2-27.9000113.4
205M43.8Very low44Very low169 Ų169129.9 Ų129.983%0.83377%0.766SS**  trans-170.4152.4168.4-79.1-67.187.300106.4
206L40.7Very low44.3Very low156 Ų156133.4 Ų133.482%0.81777%0.77SS**  cis-173.7155.2-12.8-175.568.9000102.8
207G34.2Very low45.2Very low76 Ų76129.3 Ų129.378%0.78475%0.751SS**  trans-66.7162.1-161.300000118.4
208S45.5Very low46Very low127 Ų127135 Ų13589%0.88876%0.764SS**  trans-153.8127145.5178.20000109.3
209N35.7Very low47.1Very low140 Ų140132.1 Ų132.175%0.74974%0.744SS**  trans-85.7151.9-174.7-107.2-22000110.1
210Q40Very low48.2Very low170 Ų170133.2 Ų133.279%0.79475%0.746SS**  trans85.499.2152.6-62.3164.284.300119
211T39.1Very low49.3Very low126 Ų126127.4 Ų127.477%0.77372%0.716SS**  -160.7129.3118.525.40000107.7C213T211-C213 PolarHBondContact O-N 2.84Å
212P40.7Very low50.4Low135 Ų135127.6 Ų127.688%0.87772%0.716SS**  trans-74.482.6172.929.7-28.7000107.8S214P212-S214 PolarHBondContact O-N 3.16Å
213C33.9Very low51.6Low106 Ų106126.8 Ų126.872%0.71670%0.703SS**  trans-60.4119.1174.2-162.10000107.7T211 K215T211-C213 PolarHBondContact O-N 2.84Å; C213-K215 PolarHBondContact O-N 2.92Å
214S51Low52.3Low114 Ų114121.8 Ų121.880%0.79767%0.67SS**  trans-46.4104.3176.9-1640000108.9P212 K216P212-S214 PolarHBondContact O-N 3.16Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 3.28Å
215K57.2Low53.5Low200 Ų200121 Ų12187%0.8767%0.665SS**  trans-68.594.5-173.4-70.7-177.8-178.31780107.4C213C213-K215 PolarHBondContact O-N 2.92Å
216K61.5Low54.9Low187 Ų187125 Ų12581%0.81367%0.671SS**  trans-46.1128.6168.6-136.6169.6-173179.10107.1S214 R218S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 3.28Å; K216-R218 PolarHBondContact O-N 2.85Å; K216-R218 VanDerWaalsContact O-N 3.11Å
217P62.9Low56.4Low57 Ų57126.3 Ų126.337%0.3767%0.673SS.*  trans-52.3124.5-177.6-23.731000109.1L219 C274 Y275P217-L219 PolarHBondContact O-N 3.35Å; P217-C274 HydrophobicContact CB-CB 3.89Å; P217-Y275 HydrophobicContact CG-CD1 4.21Å; P217-Y275 HydrophobicContact CG-CE1 3.92Å
218R65.3Low58.1Low242 Ų242125.1 Ų125.191%0.91364%0.644SS**  trans-7099.9175.8-72.1-167.6176.5-173.3-1107.3K216K216-R218 PolarHBondContact O-N 2.85Å; K216-R218 VanDerWaalsContact O-N 3.11Å
219L68.1Low59.9Low52 Ų52121.7 Ų121.727%0.27262%0.621SS.*  trans-65.5136.3172.5-62.9171.1000108.3P217 R221 L223 C274P217-L219 PolarHBondContact O-N 3.35Å; L219-R221 WeakPolarHBondContact CB-O 3.45Å; L219-R221 PolarHBondContact O-N 3Å; L219-L223 HydrophobicContact CD1-CD1 3.63Å; L219-L223 HydrophobicContact CD1-CG 4.08Å; L219-C274 WeakPolarHBondContact CD2-SG 3.38Å
220L64.4Low62.2Low119 Ų119121.6 Ų121.662%0.62362%0.619SS**SBendtrans-60.7-27.2179.1-173.662.8000111.5F271L220-F271 HydrophobicContact CD2-CB 4.22Å
221R69.3Low64.5Low49 Ų49119.2 Ų119.219%0.18561%0.61CS.*SBendtrans-135.4139.9174.6-69173.6-165.3-139.4-1.2110.6L219 L223 M260 E265L219-R221 WeakPolarHBondContact CB-O 3.45Å; L219-R221 PolarHBondContact O-N 3Å; R221-L223 PolarHBondContact O-N 3.08Å; R221-M260 WeakPolarHBondContact CD-O 2.91Å; R221-E265 IonicContact CZ-OE2 3.14Å; R221-E265 IonicContact NH1-OE2 3.68Å; R221-E265 PolarHBondContact NH1-OE2 3.24Å; R221-E265 IonicContact NH2-OE2 2.7Å; R221-E265 PolarHBondContact NH2-OE2 2.77Å
222P67Low66.6Low99 Ų99116.5 Ų116.564%0.64359%0.591SS**PPolyproline II helixtrans-62.2135.9175.924.6-30.9000110.5L224P222-L224 PolarHBondContact O-N 2.9Å
223L65.7Low68.6Low88 Ų88116.2 Ų116.246%0.46158%0.576SS.*PPolyproline II helixtrans-69.1120165.2-88.6161.6000107.9L219 R221 H257L219-L223 HydrophobicContact CD1-CD1 3.63Å; L219-L223 HydrophobicContact CD1-CG 4.08Å; R221-L223 PolarHBondContact O-N 3.08Å; L223-H257 WeakPolarHBondContact CD2-CE1 3.4Å
224L68.5Low71Confident39 Ų39115.5 Ų115.520%0.20457%0.568CS.*PPolyproline II helixtrans-67.2139.7175.9-84.772.7000109.5P222 R228 R246 M260P222-L224 PolarHBondContact O-N 2.9Å; L224-R228 VanDerWaalsContact CD2-NH2 3.3Å; L224-R246 VanDerWaalsContact CD1-CZ 3.43Å; L224-M260 HydrophobicContact CB-CE 3.84Å; L224-M260 HydrophobicContact CD1-CE 3.76Å; L224-M260 HydrophobicContact CG-CE 4.29Å
225P70Confident72.5Confident89 Ų89114.3 Ų114.358%0.57855%0.552SS**PPolyproline II helixtrans-54.5143.7176.9-25.534.3000112.4R228P225-R228 WeakPolarHBondContact O-CG 3.46Å; P225-R228 PolarHBondContact O-NE 3.02Å; P225-R228 VanDerWaalsContact O-NE 3.15Å
226R71.8Confident73.7Confident254 Ų254106.1 Ų106.196%0.95852%0.518SS*.SBendtrans-69.6-36.2176.7-172177.1-177.7170.80.7111.6
227E72Confident74.5Confident184 Ų184101 Ų10186%0.8651%0.511SS*.SBendtrans-95.6108176.1-63.5-175.2-173.600108.9
228R71.8Confident75.5Confident50 Ų50105.2 Ų105.219%0.18953%0.529CS..  trans-115.4138.2179.8-60.6-168.4-161.9171.910.5111.2L224 P225 D232 D236 P243L224-R228 VanDerWaalsContact CD2-NH2 3.3Å; P225-R228 WeakPolarHBondContact O-CG 3.46Å; P225-R228 PolarHBondContact O-NE 3.02Å; P225-R228 VanDerWaalsContact O-NE 3.15Å; R228-D232 HydrophobicContact CB-CB 4.17Å; R228-D236 IonicContact CZ-OD2 3.93Å; R228-D236 IonicContact NH1-OD2 2.77Å; R228-D236 PolarHBondContact NH1-OD2 3.36Å; R228-P243 VanDerWaalsContact NH1-CG 3.31Å
229S81.3Confident76.3Confident56 Ų5698.9 Ų98.939%0.39252%0.517SS..  trans-70.3161.4176.374.70000110.9I231 D232 K233S229-I231 PolarHBondContact O-N 2.8Å; S229-D232 WeakPolarHBondContact CB-OD2 3.22Å; S229-D232 PolarHBondContact N-OD2 2.7Å; S229-D232 WeakPolarHBondContact O-CB 3.31Å; S229-D232 PolarHBondContact O-N 2.91Å; S229-D232 PolarHBondContact OG-N 2.66Å; S229-D232 PolarHBondContact OG-OD2 2.69Å; S229-K233 PolarHBondContact O-N 3.43Å; S229-K233 VanDerWaalsContact O-N 3.17Å
230I85.4Confident76.6Confident137 Ų13797.3 Ų97.370%0.70351%0.514SS*.Hα-helixtrans-61.5-33.3177.1-60.9168.1000110.7K233 V234I230-K233 WeakPolarHBondContact O-CB 3.41Å; I230-K233 PolarHBondContact O-N 3.39Å; I230-V234 WeakPolarHBondContact O-CG2 3.45Å; I230-V234 PolarHBondContact O-N 2.86Å
231I88.6Confident77.2Confident121 Ų12194 Ų9462%0.62150%0.496SS*.Hα-helixtrans-64.6-44.4177.8-59.5163.9000109.9S229 K233 V234 L235S229-I231 PolarHBondContact O-N 2.8Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 2.92Å; I231-V234 PolarHBondContact O-N 3.27Å; I231-V234 VanDerWaalsContact O-N 3.15Å; I231-L235 HydrophobicContact CG2-CD1 4.02Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.17Å; I231-L235 PolarHBondContact O-N 3.29Å
232D83Confident77.7Confident68 Ų6892 Ų9236%0.36449%0.491SS..Hα-helixtrans-59.4-40.4175.4-59.2-40000111R228 S229 V234 L235 D236R228-D232 HydrophobicContact CB-CB 4.17Å; S229-D232 WeakPolarHBondContact CB-OD2 3.22Å; S229-D232 PolarHBondContact N-OD2 2.7Å; S229-D232 WeakPolarHBondContact O-CB 3.31Å; S229-D232 PolarHBondContact O-N 2.91Å; S229-D232 PolarHBondContact OG-N 2.66Å; S229-D232 PolarHBondContact OG-OD2 2.69Å; D232-V234 PolarHBondContact O-N 3.45Å; D232-L235 PolarHBondContact O-N 2.91Å; D232-D236 WeakPolarHBondContact O-CB 3.46Å; D232-D236 PolarHBondContact O-N 2.96Å
233K81.1Confident78.2Confident129 Ų12989.8 Ų89.856%0.56148%0.477SS*.Hα-helixtrans-64-38.6176.9-65-179.2-177.7-174.30112.8S229 I230 I231 A237S229-K233 PolarHBondContact O-N 3.43Å; S229-K233 VanDerWaalsContact O-N 3.17Å; I230-K233 WeakPolarHBondContact O-CB 3.41Å; I230-K233 PolarHBondContact O-N 3.39Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 2.92Å; K233-A237 WeakPolarHBondContact O-CB 3.37Å; K233-A237 PolarHBondContact O-N 3.03Å
234V84.4Confident78.9Confident92 Ų9292.5 Ų92.556%0.55849%0.492SS*.Hα-helixtrans-70.3-42.4177.71740000110.6I230 I231 D232 A237 L238I230-V234 WeakPolarHBondContact O-CG2 3.45Å; I230-V234 PolarHBondContact O-N 2.86Å; I231-V234 PolarHBondContact O-N 3.27Å; I231-V234 VanDerWaalsContact O-N 3.15Å; D232-V234 PolarHBondContact O-N 3.45Å; V234-A237 PolarHBondContact O-N 2.9Å; V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 PolarHBondContact O-N 2.74Å
235L84.3Confident79.6Confident89 Ų8996.1 Ų96.147%0.46651%0.506SS..Hα-helixtrans-63-45.5175.2-70.7172.6000111.3I231 D232 A237 L238 V239I231-L235 HydrophobicContact CG2-CD1 4.02Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.17Å; I231-L235 PolarHBondContact O-N 3.29Å; D232-L235 PolarHBondContact O-N 2.91Å; L235-A237 VanDerWaalsContact C-N 3.27Å; L235-A237 PolarHBondContact O-N 2.84Å; L235-L238 PolarHBondContact O-N 3.33Å; L235-L238 VanDerWaalsContact O-N 3.16Å; L235-V239 WeakPolarHBondContact O-CB 3.4Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 2.86Å
236D80.8Confident80.3Confident28 Ų2893.7 Ų93.715%0.1549%0.485CS..Hα-helixtrans-57.4-40.8174.7-78.1-7.2000111.4R228 D232 G240 D241R228-D236 IonicContact CZ-OD2 3.93Å; R228-D236 IonicContact NH1-OD2 2.77Å; R228-D236 PolarHBondContact NH1-OD2 3.36Å; D232-D236 WeakPolarHBondContact O-CB 3.46Å; D232-D236 PolarHBondContact O-N 2.96Å; D236-G240 CarbonylContact O-C 3.43Å; D236-G240 VanDerWaalsContact O-CA 3.23Å; D236-G240 WeakPolarHBondContact O-CA 3.2Å; D236-G240 PolarHBondContact O-N 3.24Å; D236-D241 PolarHBondContact O-N 3.45Å; D236-D241 VanDerWaalsContact O-N 3.08Å
237A79.6Confident81.1Confident79 Ų7985.2 Ų85.265%0.65346%0.455SS*.Hα-helixtrans-69.2-38.717700000112.5K233 V234 L235K233-A237 WeakPolarHBondContact O-CB 3.37Å; K233-A237 PolarHBondContact O-N 3.03Å; V234-A237 PolarHBondContact O-N 2.9Å; L235-A237 VanDerWaalsContact C-N 3.27Å; L235-A237 PolarHBondContact O-N 2.84Å
238L83.8Confident82Confident145 Ų14578.4 Ų78.476%0.75943%0.431SS*.Hα-helixtrans-72.5-42.8-179.9-175.965.2000112.4V234 L235V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 PolarHBondContact O-N 2.74Å; L235-L238 PolarHBondContact O-N 3.33Å; L235-L238 VanDerWaalsContact O-N 3.16Å
239V81.7Confident83Confident110 Ų11076.2 Ų76.267%0.66742%0.423SS*.Hα-helixtrans-81.1-22.9179-179.80000111.3L235 D241L235-V239 WeakPolarHBondContact O-CB 3.4Å; L235-V239 WeakPolarHBondContact O-CG2 3.47Å; L235-V239 PolarHBondContact O-N 2.86Å; V239-D241 HydrophobicContact CG1-CB 4.01Å
240G73.6Confident83.5Confident19 Ų1977.5 Ų77.520%0.19642%0.424CS..THydrogen-bonded Turntrans80.214.6-174.700000114.1D236 K245D236-G240 CarbonylContact O-C 3.43Å; D236-G240 VanDerWaalsContact O-CA 3.23Å; D236-G240 WeakPolarHBondContact O-CA 3.2Å; D236-G240 PolarHBondContact O-N 3.24Å; G240-K245 WeakPolarHBondContact O-CD 3.33Å
241D76.5Confident84Confident48 Ų4871 Ų7126%0.25739%0.391SS..  trans-103.526.8-173.2-159.513.1000113.6D236 V239 R246 L262D236-D241 PolarHBondContact O-N 3.45Å; D236-D241 VanDerWaalsContact O-N 3.08Å; V239-D241 HydrophobicContact CG1-CB 4.01Å; D241-R246 VanDerWaalsContact CG-CZ 3.44Å; D241-R246 PolarHBondContact O-NE 3.34Å; D241-R246 PolarHBondContact O-NH2 2.79Å; D241-R246 IonicContact OD1-CZ 2.8Å; D241-R246 IonicContact OD1-NE 3.94Å; D241-R246 PolarHBondContact OD1-NE 3.18Å; D241-R246 IonicContact OD1-NH1 2.66Å; D241-R246 IonicContact OD1-NH2 3.74Å; D241-R246 PolarHBondContact OD1-NH2 3.38Å; D241-R246 IonicContact OD2-CZ 2.69Å; D241-R246 IonicContact OD2-NH2 2.88Å; D241-R246 PolarHBondContact OD2-NH2 3.07Å; D241-L262 VanDerWaalsContact OD1-CD2 3.26Å; D241-L262 WeakPolarHBondContact OD1-CD2 3.34Å
242G79.7Confident84.3Confident8 Ų871.8 Ų71.88%0.08240%0.396CS..  trans-68165.1179.900000114.9D244 K245 R246G242-D244 PolarHBondContact O-N 3.02Å; G242-K245 PolarHBondContact O-N 3.42Å; G242-R246 WeakPolarHBondContact O-CG 3.49Å
243P79Confident84.8Confident52 Ų5274.6 Ų74.634%0.33841%0.408SS..G310 helixtrans-60.2-33-179.114.4-8.9000112.5R228 K245 R246R228-P243 VanDerWaalsContact NH1-CG 3.31Å; P243-K245 PolarHBondContact O-N 3.18Å; P243-R246 PolarHBondContact O-N 2.89Å
244D80.5Confident85.5Confident145 Ų14570.7 Ų70.778%0.77540%0.396SS*.G310 helixtrans-72.2-17.2-174.8-46.7-26.8000112.5G242G242-D244 PolarHBondContact O-N 3.02Å
245K81.8Confident86Confident115 Ų11570.8 Ų70.850%0.540%0.4SS..G310 helixtrans-10514.7-179.8-64.8179.1173.9-170.90112.7G240 G242 P243 Q263G240-K245 WeakPolarHBondContact O-CD 3.33Å; G242-K245 PolarHBondContact O-N 3.42Å; P243-K245 PolarHBondContact O-N 3.18Å; K245-Q263 PolarHBondContact O-N 3.45Å
246R86.3Confident86.3Confident39 Ų3968.2 Ų68.215%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-124.7147.1-179.2-61.4-179.6-169.5-143.314.5111.9L224 D241 G242 P243 M260 A261 L262L224-R246 VanDerWaalsContact CD1-CZ 3.43Å; D241-R246 VanDerWaalsContact CG-CZ 3.44Å; D241-R246 PolarHBondContact O-NE 3.34Å; D241-R246 PolarHBondContact O-NH2 2.79Å; D241-R246 IonicContact OD1-CZ 2.8Å; D241-R246 IonicContact OD1-NE 3.94Å; D241-R246 PolarHBondContact OD1-NE 3.18Å; D241-R246 IonicContact OD1-NH1 2.66Å; D241-R246 IonicContact OD1-NH2 3.74Å; D241-R246 PolarHBondContact OD1-NH2 3.38Å; D241-R246 IonicContact OD2-CZ 2.69Å; D241-R246 IonicContact OD2-NH2 2.88Å; D241-R246 PolarHBondContact OD2-NH2 3.07Å; G242-R246 WeakPolarHBondContact O-CG 3.49Å; P243-R246 PolarHBondContact O-N 2.89Å; R246-M260 HydrophobicContact CB-CB 3.98Å; R246-A261 CarbonylContact C-O 3.43Å; R246-A261 WeakPolarHBondContact CA-O 3.49Å; R246-A261 WeakPolarHBondContact CB-O 3.31Å; R246-L262 HydrophobicContact CG-CD2 4.48Å
247F88.7Confident86.9Confident75 Ų7569.8 Ų69.833%0.32940%0.396SS..EExtended strand (participates in β ladder)trans-112.3142.6174.7-66.9-59.5000112.7M260 A261 Q263 F266F247-M260 CarbonylContact O-C 3.49Å; F247-M260 VanDerWaalsContact O-CA 3.23Å; F247-M260 WeakPolarHBondContact O-CA 3.42Å; F247-A261 PolarHBondContact N-O 2.9Å; F247-A261 PolarHBondContact O-N 3.04Å; F247-Q263 HydrophobicContact CE2-CB 4.39Å; F247-Q263 HydrophobicContact CE2-CG 4.2Å; F247-Q263 VanDerWaalsContact CZ-CD 3.4Å; F247-F266 HydrophobicContact CB-CB 4.31Å; F247-F266 HydrophobicContact CB-CD1 4.12Å; F247-F266 HydrophobicContact CB-CD2 3.39Å; F247-F266 HydrophobicContact CB-CE1 4.25Å; F247-F266 HydrophobicContact CB-CE2 3.54Å; F247-F266 HydrophobicContact CB-CG 3.69Å; F247-F266 HydrophobicContact CB-CZ 3.97Å; F247-F266 HydrophobicContact CD2-CB 3.66Å; F247-F266 AromaticContact CD2-CD1 3.55Å; F247-F266 HydrophobicContact CD2-CD1 3.55Å; F247-F266 HydrophobicContact CD2-CD2 4.16Å; F247-F266 HydrophobicContact CD2-CE1 4.17Å; F247-F266 AromaticContact CD2-CG 3.53Å; F247-F266 HydrophobicContact CD2-CG 3.53Å; F247-F266 HydrophobicContact CE2-CB 4.48Å; F247-F266 HydrophobicContact CE2-CD1 4.08Å; F247-F266 HydrophobicContact CE2-CG 4.42Å; F247-F266 HydrophobicContact CG-CB 4.49Å; F247-F266 HydrophobicContact CG-CD1 4.1Å; F247-F266 HydrophobicContact CG-CD2 4.22Å; F247-F266 HydrophobicContact CG-CE1 4.33Å; F247-F266 HydrophobicContact CG-CE2 4.43Å; F247-F266 HydrophobicContact CG-CG 4.02Å; F247-F266 HydrophobicContact CG-CZ 4.48Å
248A90.9Very high87.4Confident41 Ų4166.2 Ų66.234%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-69.2130.2175.300000112.2I250 H257A248-I250 HydrophobicContact CB-CD1 3.9Å; A248-I250 HydrophobicContact CB-CG1 4.15Å; A248-I250 PolarHBondContact O-N 3.38Å; A248-H257 WeakPolarHBondContact CB-NE2 3.18Å
249L91.1Very high87.6Confident4 Ų459.3 Ų59.32%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-83.391172.5-62.9178.8000109.9N258 G259 A261 F266 L269 F271L249-N258 HydrophobicContact CB-CB 4.08Å; L249-N258 WeakPolarHBondContact O-CB 3.48Å; L249-N258 PolarHBondContact O-N 2.83Å; L249-N258 PolarHBondContact O-ND2 3.07Å; L249-G259 PolarHBondContact N-O 3.38Å; L249-A261 HydrophobicContact CD1-CB 4.4Å; L249-A261 HydrophobicContact CD2-CB 4Å; L249-A261 HydrophobicContact CG-CB 4.27Å; L249-F266 HydrophobicContact CD2-CD2 3.87Å; L249-F266 HydrophobicContact CD2-CE2 3.97Å; L249-L269 HydrophobicContact CD1-CD2 3.82Å; L249-L269 HydrophobicContact CD2-CD2 3.78Å; L249-L269 HydrophobicContact CG-CD2 4.49Å; L249-F271 HydrophobicContact CB-CD1 4.46Å; L249-F271 HydrophobicContact CB-CE1 4.11Å; L249-F271 HydrophobicContact CB-CE2 4.28Å; L249-F271 HydrophobicContact CB-CZ 4.02Å; L249-F271 HydrophobicContact CD2-CD1 4.13Å; L249-F271 HydrophobicContact CD2-CE1 4.09Å
250I93.6Very high87.9Confident84 Ų8455.5 Ų55.543%0.43131%0.305SS..EExtended strand (participates in β ladder)trans-94.3126.8179.6-53.4-55.2000110.3A248 H257A248-I250 HydrophobicContact CB-CD1 3.9Å; A248-I250 HydrophobicContact CB-CG1 4.15Å; A248-I250 PolarHBondContact O-N 3.38Å; I250-H257 HydrophobicContact CD1-CB 4.1Å
251C95.1Very high88.6Confident1 Ų154.6 Ų54.61%0.00730%0.296CS..  trans-71.5132.2178176.20000111.8Q253 C254 S255 S256 C273C251-Q253 PolarHBondContact O-N 3.47Å; C251-Q253 PolarHBondContact SG-N 3.23Å; C251-Q253 VanDerWaalsContact SG-N 3.44Å; C251-C254 PolarHBondContact SG-SG 2.79Å; C251-S255 WeakPolarHBondContact O-CA 3.29Å; C251-S255 PolarHBondContact O-N 3Å; C251-S256 PolarHBondContact N-O 2.91Å; C251-C273 HydrophobicContact CB-CB 3.78Å; C251-C273 VanDerWaalsContact CB-SG 3.58Å; C251-C273 WeakPolarHBondContact SG-CB 3.3Å
252N93.9Very high89.1Confident136 Ų13654 Ų5473%0.72729%0.293SS*.THydrogen-bonded Turntrans-67.8-30.2179.4-169.137.7000114.3N280N252-N280 WeakPolarHBondContact CB-OD1 3.38Å; N252-N280 PolarHBondContact N-OD1 3.39Å
253Q95.2Very high89.3Confident128 Ų12856.4 Ų56.460%0.59830%0.302SS*.THydrogen-bonded Turntrans-85-39.9-178-175.1174.5-8.400114.4C251 H278C251-Q253 PolarHBondContact O-N 3.47Å; C251-Q253 PolarHBondContact SG-N 3.23Å; C251-Q253 VanDerWaalsContact SG-N 3.44Å; Q253-H278 HydrophobicContact CB-CB 3.89Å; Q253-H278 VanDerWaalsContact OE1-CG 3.26Å; Q253-H278 PolarHBondContact OE1-ND1 3.43Å
254C95Very high89.6Confident46 Ų4660.3 Ų60.331%0.31132%0.316SS..THydrogen-bonded Turntrans-1212-172.766.50000114C251 S256 C273 C276C251-C254 PolarHBondContact SG-SG 2.79Å; C254-S256 PolarHBondContact O-N 2.92Å; C254-S256 PolarHBondContact O-OG 3.4Å; C254-S256 PolarHBondContact SG-OG 3.44Å; C254-S256 VanDerWaalsContact SG-OG 3.38Å; C254-C273 PolarHBondContact SG-SG 2.94Å; C254-C276 HydrophobicContact CB-CB 4.13Å; C254-C276 PolarHBondContact SG-SG 2.87Å
255S95.5Very high89.8Confident94 Ų9457.1 Ų57.166%0.65730%0.296SS*.  trans54.716.9-179.5-53.40000115.6C251C251-S255 WeakPolarHBondContact O-CA 3.29Å; C251-S255 PolarHBondContact O-N 3Å
256S90.7Very high90.1Very high36 Ų3653.4 Ų53.425%0.25228%0.28SS..  trans-78.8147.6179.1-57.10000111.6C251 C254 N258C251-S256 PolarHBondContact N-O 2.91Å; C254-S256 PolarHBondContact O-N 2.92Å; C254-S256 PolarHBondContact O-OG 3.4Å; C254-S256 PolarHBondContact SG-OG 3.44Å; C254-S256 VanDerWaalsContact SG-OG 3.38Å; S256-N258 PolarHBondContact O-ND2 3.39Å
257H92.5Very high90.2Very high60 Ų6054 Ų5428%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-86.1117.9-178.2-177.9-82.3000112.1L223 A248 I250 G259 Y275L223-H257 WeakPolarHBondContact CD2-CE1 3.4Å; A248-H257 WeakPolarHBondContact CB-NE2 3.18Å; I250-H257 HydrophobicContact CD1-CB 4.1Å; H257-G259 VanDerWaalsContact CE1-C 3.47Å; H257-G259 VanDerWaalsContact CE1-CA 3.48Å; H257-G259 WeakPolarHBondContact CE1-CA 3.48Å; H257-G259 PolarHBondContact CE1-N 3.4Å; H257-G259 PolarHBondContact CE1-O 3.15Å; H257-G259 VanDerWaalsContact CE1-O 3.24Å; H257-G259 PolarHBondContact ND1-N 2.9Å; H257-G259 PolarHBondContact NE2-O 3.47Å; H257-Y275 WeakPolarHBondContact O-CE2 3.22Å
258N90.3Very high90.2Very high5 Ų554.1 Ų54.13%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-105.518.6-171.3-67.6-95.1000114L249 S256 F271 C273 C274L249-N258 HydrophobicContact CB-CB 4.08Å; L249-N258 WeakPolarHBondContact O-CB 3.48Å; L249-N258 PolarHBondContact O-N 2.83Å; L249-N258 PolarHBondContact O-ND2 3.07Å; S256-N258 PolarHBondContact O-ND2 3.39Å; N258-F271 HydrophobicContact CB-CD2 4.08Å; N258-F271 HydrophobicContact CB-CE2 3.85Å; N258-C273 VanDerWaalsContact OD1-CA 3.22Å; N258-C273 WeakPolarHBondContact OD1-CA 3.38Å; N258-C273 PolarHBondContact OD1-SG 3.42Å; N258-C274 PolarHBondContact OD1-N 2.74Å; N258-C274 PolarHBondContact OD1-SG 2.91Å
259G89.1Confident90Very high0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans107-170.1-176.100000112L249 H257L249-G259 PolarHBondContact N-O 3.38Å; H257-G259 VanDerWaalsContact CE1-C 3.47Å; H257-G259 VanDerWaalsContact CE1-CA 3.48Å; H257-G259 WeakPolarHBondContact CE1-CA 3.48Å; H257-G259 PolarHBondContact CE1-N 3.4Å; H257-G259 PolarHBondContact CE1-O 3.15Å; H257-G259 VanDerWaalsContact CE1-O 3.24Å; H257-G259 PolarHBondContact ND1-N 2.9Å; H257-G259 PolarHBondContact NE2-O 3.47Å
260M87.9Confident90.1Very high29 Ų2955.5 Ų55.514%0.14329%0.291CS..EExtended strand (participates in β ladder)trans-123.8138.9-179.3-55.9-174.4-63.400110.9R221 L224 R246 F247R221-M260 WeakPolarHBondContact CD-O 2.91Å; L224-M260 HydrophobicContact CB-CE 3.84Å; L224-M260 HydrophobicContact CD1-CE 3.76Å; L224-M260 HydrophobicContact CG-CE 4.29Å; R246-M260 HydrophobicContact CB-CB 3.98Å; F247-M260 CarbonylContact O-C 3.49Å; F247-M260 VanDerWaalsContact O-CA 3.23Å; F247-M260 WeakPolarHBondContact O-CA 3.42Å
261A88.4Confident90.1Very high0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-111.4151.6173.700000111R246 F247 L249 F266R246-A261 CarbonylContact C-O 3.43Å; R246-A261 WeakPolarHBondContact CA-O 3.49Å; R246-A261 WeakPolarHBondContact CB-O 3.31Å; F247-A261 PolarHBondContact N-O 2.9Å; F247-A261 PolarHBondContact O-N 3.04Å; L249-A261 HydrophobicContact CD1-CB 4.4Å; L249-A261 HydrophobicContact CD2-CB 4Å; L249-A261 HydrophobicContact CG-CB 4.27Å; A261-F266 HydrophobicContact CB-CB 4.42Å; A261-F266 HydrophobicContact CB-CD2 4.37Å
262L86Confident90Very high36 Ų3660.4 Ų60.419%0.18831%0.305CS..EExtended strand (participates in β ladder)trans-59.6149171.8-77.9160.9000110.6D241 R246 E264 E265 F266D241-L262 VanDerWaalsContact OD1-CD2 3.26Å; D241-L262 WeakPolarHBondContact OD1-CD2 3.34Å; R246-L262 HydrophobicContact CG-CD2 4.48Å; L262-E264 VanDerWaalsContact C-N 3.26Å; L262-E264 HydrophobicContact CB-CG 4.15Å; L262-E264 PolarHBondContact O-N 3.24Å; L262-E265 HydrophobicContact CB-CB 4.48Å; L262-E265 HydrophobicContact CB-CG 4.27Å; L262-E265 PolarHBondContact O-N 3.17Å; L262-E265 VanDerWaalsContact O-N 3.12Å; L262-F266 WeakPolarHBondContact O-CB 3.22Å; L262-F266 PolarHBondContact O-N 2.77Å
263Q84.6Confident90.1Very high59 Ų5954 Ų5428%0.27627%0.27SS..Hα-helixtrans-47.2-49.2175.2177.677.938.700112.1K245 F247 E265 F266K245-Q263 PolarHBondContact O-N 3.45Å; F247-Q263 HydrophobicContact CE2-CB 4.39Å; F247-Q263 HydrophobicContact CE2-CG 4.2Å; F247-Q263 VanDerWaalsContact CZ-CD 3.4Å; Q263-E265 VanDerWaalsContact C-N 3.3Å; Q263-E265 PolarHBondContact O-N 2.81Å; Q263-F266 PolarHBondContact O-N 3.35Å
264E83.9Confident89.8Confident134 Ų13449.4 Ų49.463%0.62625%0.252SS*.Hα-helixtrans-67.5-26.3-176.368.8-170.116900113.7L262 Y268L262-E264 VanDerWaalsContact C-N 3.26Å; L262-E264 HydrophobicContact CB-CG 4.15Å; L262-E264 PolarHBondContact O-N 3.24Å; E264-Y268 WeakPolarHBondContact O-CD2 3.46Å
265E84.8Confident89.6Confident77 Ų7753 Ų5336%0.3626%0.26SS..Hα-helixtrans-96.2-25.5-178.2-61.3-172.1139.300112.4R221 L262 Q263 E267 Y268 L269R221-E265 IonicContact CZ-OE2 3.14Å; R221-E265 IonicContact NH1-OE2 3.68Å; R221-E265 PolarHBondContact NH1-OE2 3.24Å; R221-E265 IonicContact NH2-OE2 2.7Å; R221-E265 PolarHBondContact NH2-OE2 2.77Å; L262-E265 HydrophobicContact CB-CB 4.48Å; L262-E265 HydrophobicContact CB-CG 4.27Å; L262-E265 PolarHBondContact O-N 3.17Å; L262-E265 VanDerWaalsContact O-N 3.12Å; Q263-E265 VanDerWaalsContact C-N 3.3Å; Q263-E265 PolarHBondContact O-N 2.81Å; E265-E267 VanDerWaalsContact C-N 3.27Å; E265-E267 PolarHBondContact O-N 2.89Å; E265-Y268 PolarHBondContact O-N 3.49Å; E265-L269 VanDerWaalsContact O-CB 3.3Å; E265-L269 WeakPolarHBondContact O-CB 3.11Å; E265-L269 PolarHBondContact O-N 2.89Å
266F88.8Confident89.5Confident37 Ų3750.8 Ų50.816%0.16224%0.244CC..Hα-helixtrans-57.1-37.8-168.5176.4-104.1000113.4F247 L249 A261 L262 Q263F247-F266 HydrophobicContact CB-CB 4.31Å; F247-F266 HydrophobicContact CB-CD1 4.12Å; F247-F266 HydrophobicContact CB-CD2 3.39Å; F247-F266 HydrophobicContact CB-CE1 4.25Å; F247-F266 HydrophobicContact CB-CE2 3.54Å; F247-F266 HydrophobicContact CB-CG 3.69Å; F247-F266 HydrophobicContact CB-CZ 3.97Å; F247-F266 HydrophobicContact CD2-CB 3.66Å; F247-F266 AromaticContact CD2-CD1 3.55Å; F247-F266 HydrophobicContact CD2-CD1 3.55Å; F247-F266 HydrophobicContact CD2-CD2 4.16Å; F247-F266 HydrophobicContact CD2-CE1 4.17Å; F247-F266 AromaticContact CD2-CG 3.53Å; F247-F266 HydrophobicContact CD2-CG 3.53Å; F247-F266 HydrophobicContact CE2-CB 4.48Å; F247-F266 HydrophobicContact CE2-CD1 4.08Å; F247-F266 HydrophobicContact CE2-CG 4.42Å; F247-F266 HydrophobicContact CG-CB 4.49Å; F247-F266 HydrophobicContact CG-CD1 4.1Å; F247-F266 HydrophobicContact CG-CD2 4.22Å; F247-F266 HydrophobicContact CG-CE1 4.33Å; F247-F266 HydrophobicContact CG-CE2 4.43Å; F247-F266 HydrophobicContact CG-CG 4.02Å; F247-F266 HydrophobicContact CG-CZ 4.48Å; L249-F266 HydrophobicContact CD2-CD2 3.87Å; L249-F266 HydrophobicContact CD2-CE2 3.97Å; A261-F266 HydrophobicContact CB-CB 4.42Å; A261-F266 HydrophobicContact CB-CD2 4.37Å; L262-F266 WeakPolarHBondContact O-CB 3.22Å; L262-F266 PolarHBondContact O-N 2.77Å; Q263-F266 PolarHBondContact O-N 3.35Å
267E88.5Confident89.6Confident52 Ų5254.5 Ų54.524%0.24326%0.261CS..THydrogen-bonded Turntrans-72.7-31.1-179.4-64.4-166.5-168.200113.2E265 R283 C284E265-E267 VanDerWaalsContact C-N 3.27Å; E265-E267 PolarHBondContact O-N 2.89Å; E267-R283 PolarHBondContact O-N 3.48Å; E267-C284 HydrophobicContact CB-CB 4.2Å; E267-C284 PolarHBondContact O-N 3.34Å; E267-C284 PolarHBondContact OE2-SG 3.29Å; E267-C284 VanDerWaalsContact OE2-SG 3.38Å
268Y87.6Confident89.8Confident78 Ų7854.5 Ų54.531%0.30626%0.261SS..THydrogen-bonded Turntrans-96.8-8.7-174.9-53.9-68.8000113.4E264 E265 A282 C284 R286E264-Y268 WeakPolarHBondContact O-CD2 3.46Å; E265-Y268 PolarHBondContact O-N 3.49Å; Y268-A282 VanDerWaalsContact O-CB 3.25Å; Y268-A282 WeakPolarHBondContact O-CB 3.28Å; Y268-C284 HydrophobicContact CD1-CB 3.75Å; Y268-C284 HydrophobicContact CE1-CB 3.57Å; Y268-R286 HydrophobicContact CD1-CB 3.8Å; Y268-R286 HydrophobicContact CD1-CG 4.36Å; Y268-R286 HydrophobicContact CE1-CB 4.21Å; Y268-R286 HydrophobicContact CE1-CG 4.45Å; Y268-R286 HydrophobicContact CG-CB 4.18Å
269L88.6Confident90Very high29 Ų2959 Ų5915%0.15228%0.28CS..  trans-84.1121.5-176.4-174.2136.2000112L249 E265 F271L249-L269 HydrophobicContact CD1-CD2 3.82Å; L249-L269 HydrophobicContact CD2-CD2 3.78Å; L249-L269 HydrophobicContact CG-CD2 4.49Å; E265-L269 VanDerWaalsContact O-CB 3.3Å; E265-L269 WeakPolarHBondContact O-CB 3.11Å; E265-L269 PolarHBondContact O-N 2.89Å; L269-F271 HydrophobicContact CD2-CB 3.88Å; L269-F271 HydrophobicContact CD2-CD1 3.94Å; L269-F271 HydrophobicContact CD2-CG 4.3Å
270A92.5Very high90.3Very high45 Ų4559.5 Ų59.537%0.37228%0.283SS..  trans-95.5141164.200000109.8F279 N280 A282A270-F279 HydrophobicContact CB-CE2 3.92Å; A270-F279 HydrophobicContact CB-CZ 3.79Å; A270-N280 WeakPolarHBondContact CA-O 3.31Å; A270-A282 HydrophobicContact CB-CB 4.31Å
271F93Very high90.5Very high21 Ų2162.4 Ų62.49%0.09230%0.304CS..EExtended strand (participates in β ladder)trans-142.8149.7178.771.5-81.5000112.8L220 L249 N258 L269 N280L220-F271 HydrophobicContact CD2-CB 4.22Å; L249-F271 HydrophobicContact CB-CD1 4.46Å; L249-F271 HydrophobicContact CB-CE1 4.11Å; L249-F271 HydrophobicContact CB-CE2 4.28Å; L249-F271 HydrophobicContact CB-CZ 4.02Å; L249-F271 HydrophobicContact CD2-CD1 4.13Å; L249-F271 HydrophobicContact CD2-CE1 4.09Å; N258-F271 HydrophobicContact CB-CD2 4.08Å; N258-F271 HydrophobicContact CB-CE2 3.85Å; L269-F271 HydrophobicContact CD2-CB 3.88Å; L269-F271 HydrophobicContact CD2-CD1 3.94Å; L269-F271 HydrophobicContact CD2-CG 4.3Å; F271-N280 HydrophobicContact CD1-CB 3.82Å; F271-N280 HydrophobicContact CD2-CB 4.45Å; F271-N280 HydrophobicContact CE1-CB 3.49Å; F271-N280 VanDerWaalsContact CE1-CB 3.49Å; F271-N280 HydrophobicContact CE2-CB 4.16Å; F271-N280 WeakPolarHBondContact CE2-ND2 3.49Å; F271-N280 HydrophobicContact CG-CB 4.29Å; F271-N280 HydrophobicContact CZ-CB 3.67Å; F271-N280 PolarHBondContact N-O 2.69Å; F271-N280 WeakPolarHBondContact O-CB 3.46Å; F271-N280 PolarHBondContact O-N 3.44Å
272R94.3Very high90.7Very high167 Ų16764 Ų6463%0.6332%0.318SS*.EExtended strand (participates in β ladder)trans-92.8132.8166.1-72.3-174.8-179.3-86.7-0.5109.5C274 H278 F279R272-C274 PolarHBondContact O-N 3.25Å; R272-H278 WeakPolarHBondContact CA-O 3.34Å; R272-F279 HydrophobicContact CG-CB 4.3Å; R272-F279 HydrophobicContact CG-CD2 3.84Å
273C94.6Very high90.7Very high0 Ų070.8 Ų70.80%034%0.341CS..  trans-64.7127.3176.8178.10000110.5C251 C254 N258 Y275 N277 H278C251-C273 HydrophobicContact CB-CB 3.78Å; C251-C273 VanDerWaalsContact CB-SG 3.58Å; C251-C273 WeakPolarHBondContact SG-CB 3.3Å; C254-C273 PolarHBondContact SG-SG 2.94Å; N258-C273 VanDerWaalsContact OD1-CA 3.22Å; N258-C273 WeakPolarHBondContact OD1-CA 3.38Å; N258-C273 PolarHBondContact OD1-SG 3.42Å; C273-Y275 PolarHBondContact O-N 3.47Å; C273-Y275 PolarHBondContact SG-N 3.44Å; C273-Y275 VanDerWaalsContact SG-N 3.44Å; C273-N277 WeakPolarHBondContact O-CA 3.43Å; C273-N277 PolarHBondContact O-N 3.12Å; C273-N277 PolarHBondContact O-OD1 2.71Å; C273-H278 HydrophobicContact CB-CB 4.47Å; C273-H278 PolarHBondContact N-O 3.15Å
274C89.6Confident90.8Very high33 Ų3370.2 Ų70.222%0.22334%0.343CS..THydrogen-bonded Turntrans-72.5-8.7-179.765.60000113.8P217 L219 N258 R272P217-C274 HydrophobicContact CB-CB 3.89Å; L219-C274 WeakPolarHBondContact CD2-SG 3.38Å; N258-C274 PolarHBondContact OD1-N 2.74Å; N258-C274 PolarHBondContact OD1-SG 2.91Å; R272-C274 PolarHBondContact O-N 3.25Å
275Y91.4Very high90.4Very high121 Ų12170.1 Ų70.148%0.47535%0.352SS..THydrogen-bonded Turntrans-100.2-46.3-180-57.8-83.2000112.6P217 H257 C273P217-Y275 HydrophobicContact CG-CD1 4.21Å; P217-Y275 HydrophobicContact CG-CE1 3.92Å; H257-Y275 WeakPolarHBondContact O-CE2 3.22Å; C273-Y275 PolarHBondContact O-N 3.47Å; C273-Y275 PolarHBondContact SG-N 3.44Å; C273-Y275 VanDerWaalsContact SG-N 3.44Å
276C93.5Very high89.5Confident47 Ų4775.4 Ų75.432%0.31837%0.368SS..THydrogen-bonded Turntrans-1150.5-177.269.10000114.4C254 H278C254-C276 HydrophobicContact CB-CB 4.13Å; C254-C276 PolarHBondContact SG-SG 2.87Å; C276-H278 PolarHBondContact O-N 3.25Å; C276-H278 WeakPolarHBondContact SG-CB 3.49Å
277N92.9Very high88.2Confident114 Ų11481.1 Ų81.161%0.6140%0.4SS*.  trans58.210-176.7-67.2-38.7000116C273 F279C273-N277 WeakPolarHBondContact O-CA 3.43Å; C273-N277 PolarHBondContact O-N 3.12Å; C273-N277 PolarHBondContact O-OD1 2.71Å; N277-F279 PolarHBondContact O-N 3.46Å
278H95.2Very high86.4Confident60 Ų6088.1 Ų88.128%0.27843%0.429SS..  trans-59.3130.9172.9-171.976.1000110.8Q253 R272 C273 C276 N280Q253-H278 HydrophobicContact CB-CB 3.89Å; Q253-H278 VanDerWaalsContact OE1-CG 3.26Å; Q253-H278 PolarHBondContact OE1-ND1 3.43Å; R272-H278 WeakPolarHBondContact CA-O 3.34Å; C273-H278 HydrophobicContact CB-CB 4.47Å; C273-H278 PolarHBondContact N-O 3.15Å; C276-H278 PolarHBondContact O-N 3.25Å; C276-H278 WeakPolarHBondContact SG-CB 3.49Å; H278-N280 PolarHBondContact O-N 3.2Å; H278-N280 PolarHBondContact O-ND2 2.93Å
279F96Very high84.3Confident99 Ų9990.6 Ų90.643%0.43445%0.453SS..EExtended strand (participates in β ladder)trans-82.5115.2174.4-179.5-109.7000109.9A270 R272 N277 P281A270-F279 HydrophobicContact CB-CE2 3.92Å; A270-F279 HydrophobicContact CB-CZ 3.79Å; R272-F279 HydrophobicContact CG-CB 4.3Å; R272-F279 HydrophobicContact CG-CD2 3.84Å; N277-F279 PolarHBondContact O-N 3.46Å; F279-P281 HydrophobicContact CE1-CB 4.04Å; F279-P281 WeakPolarHBondContact O-CD 3.25Å
280N93.7Very high81.6Confident11 Ų1192.5 Ų92.56%0.05948%0.48CS..EExtended strand (participates in β ladder)trans-95.4108173.3-62.1-89.6000107.3N252 A270 F271 H278N252-N280 WeakPolarHBondContact CB-OD1 3.38Å; N252-N280 PolarHBondContact N-OD1 3.39Å; A270-N280 WeakPolarHBondContact CA-O 3.31Å; F271-N280 HydrophobicContact CD1-CB 3.82Å; F271-N280 HydrophobicContact CD2-CB 4.45Å; F271-N280 HydrophobicContact CE1-CB 3.49Å; F271-N280 VanDerWaalsContact CE1-CB 3.49Å; F271-N280 HydrophobicContact CE2-CB 4.16Å; F271-N280 WeakPolarHBondContact CE2-ND2 3.49Å; F271-N280 HydrophobicContact CG-CB 4.29Å; F271-N280 HydrophobicContact CZ-CB 3.67Å; F271-N280 PolarHBondContact N-O 2.69Å; F271-N280 WeakPolarHBondContact O-CB 3.46Å; F271-N280 PolarHBondContact O-N 3.44Å; H278-N280 PolarHBondContact O-N 3.2Å; H278-N280 PolarHBondContact O-ND2 2.93Å
281P93.4Very high79Confident90 Ų9098.4 Ų98.458%0.58450%0.504SS*.  trans-69156.9179.630-35.1000111.1F279F279-P281 HydrophobicContact CE1-CB 4.04Å; F279-P281 WeakPolarHBondContact O-CD 3.25Å
282A91.6Very high76.2Confident35 Ų35102.6 Ų102.629%0.28954%0.536SS..  trans-60.4145.7171.500000110.6Y268 A270 C284Y268-A282 VanDerWaalsContact O-CB 3.25Å; Y268-A282 WeakPolarHBondContact O-CB 3.28Å; A270-A282 HydrophobicContact CB-CB 4.31Å; A282-C284 WeakPolarHBondContact CB-O 3.33Å
283R86.7Confident73.5Confident178 Ų178100.8 Ų100.867%0.67254%0.544SS*.SBendtrans-73.5-35.2178-62.3178.3-175.1-101.2-0.8110.8E267E267-R283 PolarHBondContact O-N 3.48Å
284C86.5Confident70.9Confident47 Ų47109.5 Ų109.532%0.31858%0.584SS.*SBendtrans-128.1147.8-178.9-64.20000109.4E267 Y268 A282E267-C284 HydrophobicContact CB-CB 4.2Å; E267-C284 PolarHBondContact O-N 3.34Å; E267-C284 PolarHBondContact OE2-SG 3.29Å; E267-C284 VanDerWaalsContact OE2-SG 3.38Å; Y268-C284 HydrophobicContact CD1-CB 3.75Å; Y268-C284 HydrophobicContact CE1-CB 3.57Å; A282-C284 WeakPolarHBondContact CB-O 3.33Å
285T75.7Confident68.2Low132 Ų132115.1 Ų115.181%0.8161%0.612SS**  trans-95.8127.8168.9-55.70000107.7L287T285-L287 PolarHBondContact O-N 3.38Å
286R65.9Low66Low188 Ų188117.3 Ų117.371%0.70963%0.63SS**  trans-67.7121175.9-158.7175.7-172.9-177.83.9108.3Y268 K288Y268-R286 HydrophobicContact CD1-CB 3.8Å; Y268-R286 HydrophobicContact CD1-CG 4.36Å; Y268-R286 HydrophobicContact CE1-CB 4.21Å; Y268-R286 HydrophobicContact CE1-CG 4.45Å; Y268-R286 HydrophobicContact CG-CB 4.18Å; R286-K288 PolarHBondContact O-N 3.42Å; R286-K288 VanDerWaalsContact O-N 3.09Å
287L61.2Low63.2Low157 Ų157122.7 Ų122.782%0.82265%0.651SS**  trans-65.9108.3166.2-72.9162.3000106.1T285 T289T285-L287 PolarHBondContact O-N 3.38Å; L287-T289 VanDerWaalsContact C-N 3.31Å; L287-T289 PolarHBondContact O-N 3.49Å
288K51.9Low60.3Low198 Ų198123.7 Ų123.786%0.86166%0.656SS**  trans-67.592.8174-75.6-171.4177.1-169.50108.4R286 G290R286-K288 PolarHBondContact O-N 3.42Å; R286-K288 VanDerWaalsContact O-N 3.09Å; K288-G290 PolarHBondContact O-N 3.34Å
289T42Very low57.5Low130 Ų130126.2 Ų126.280%0.79868%0.676SS**  trans-68.4115.8158.3-31.40000105.9L287 L291L287-T289 VanDerWaalsContact C-N 3.31Å; L287-T289 PolarHBondContact O-N 3.49Å; T289-L291 PolarHBondContact O-N 3.02Å
290G33.1Very low54.6Low70 Ų70128 Ų12872%0.72269%0.69SS**SBendtrans-65104.7-17300000112.4K288K288-G290 PolarHBondContact O-N 3.34Å
291L36.5Very low51.6Low169 Ų169134 Ų13489%0.88572%0.722SS**  trans-154.885.5146.5-13484.8000107.4T289T289-L291 PolarHBondContact O-N 3.02Å
292S35.7Very low49.1Very low108 Ų108137.8 Ų137.876%0.75574%0.736SS**  trans-82.6124.1175.247.90000110
293T36.3Very low46.3Very low130 Ų130141.3 Ų141.380%0.79876%0.755SS**  trans-135.875.4149.6-17.60000107.1
294E41.5Very low43.7Very low182 Ų182139.7 Ų139.785%0.8576%0.759SS**  trans-85.1107.7166.1-77.3-179.3154.200107.8
295N32.5Very low41.1Very low151 Ų151144.8 Ų144.881%0.80778%0.783SS**  trans-10091.6158-83.6-31.3000107.4
296I43.7Very low39.2Very low167 Ų167143.4 Ų143.486%0.85678%0.779SS**  trans-140.4116.1149.7-60.8-173.3000108.8
297E35Very low37.5Very low161 Ų161144.3 Ų144.375%0.75279%0.788SS**  trans-55.3154.5173.6-83173.9121.700116.2
298N32.5Very low36.1Very low135 Ų135142.2 Ų142.272%0.72278%0.782SS**  trans72.5123.3145.5-63.3-18.1000116.5
299T36.5Very low35.2Very low112 Ų112139.2 Ų139.269%0.68778%0.781SS**  cis-163.9138.232.443.90000111.6
300N34.4Very low34.6Very low136 Ų136138.6 Ų138.673%0.72778%0.779SS**  trans59.6126132.3-56-11.4000122.3
301D31.5Very low34.2Very low138 Ų138142.8 Ų142.874%0.73877%0.774SS**  trans72.993.8141.2-53.5-24.7000118.7
302L40.9Very low34Very low169 Ų169144.2 Ų144.289%0.88577%0.773SS**  -173.8136.590.5-113.5104.2000111.5
303T33.3Very low33.7Very low110 Ų110145.2 Ų145.268%0.67577%0.766SS**  trans-70.4149.8-174.738.70000116.6
304N31.8Very low33.5Very low144 Ų144143.7 Ų143.777%0.7776%0.761SS**  trans78.3108.2136.6-65.3-20.5000120.9
305N31.1Very low33.4Very low153 Ų153138.6 Ų138.682%0.81874%0.742SS**  66.596.5121.4-154.217.8000116.9
306S36.9Very low33.7Very low104 Ų104140.9 Ų140.973%0.72775%0.745SS**  trans-157.7118.8147.7-75.10000109.6T308S306-T308 PolarHBondContact O-N 3.43Å; S306-T308 VanDerWaalsContact O-N 3.14Å
307K29.8Very low33.6Very low206 Ų206135.8 Ų135.890%0.89672%0.724SS**  trans-50112.8155.3-78.3171.8174.9173.80108.3
308T31.9Very low33.9Very low113 Ų113132.3 Ų132.369%0.69371%0.71SS**  trans-156.7103.2160.32.20000108.3S306 P310S306-T308 PolarHBondContact O-N 3.43Å; S306-T308 VanDerWaalsContact O-N 3.14Å; T308-P310 VanDerWaalsContact O-CD 3.32Å; T308-P310 WeakPolarHBondContact O-CD 3.28Å
309T32.2Very low34.7Very low136 Ų136130.1 Ų130.183%0.83470%0.702SS**  trans-47.2137.1152.7-39.10000109
310P30.1Very low35Very low117 Ų117131.3 Ų131.376%0.7670%0.698SS**  trans-126.5110.8142.6165.8000109.3T308 F312T308-P310 VanDerWaalsContact O-CD 3.32Å; T308-P310 WeakPolarHBondContact O-CD 3.28Å; P310-F312 PolarHBondContact O-N 3.44Å
311Y24.9Very low35.4Very low157 Ų157133 Ų13362%0.61669%0.694SS**  trans-22.1123.9138-165.2-93.7000112.2Q313Y311-Q313 HydrophobicContact CE1-CB 3.91Å; Y311-Q313 VanDerWaalsContact CE1-OE1 3.23Å; Y311-Q313 VanDerWaalsContact CZ-OE1 3.28Å; Y311-Q313 PolarHBondContact OH-OE1 3.22Å
312F32.2Very low36Very low199 Ų199131.9 Ų131.987%0.87369%0.685SS**  trans-151.999.5138.4-118.7-83.6000111P310P310-F312 PolarHBondContact O-N 3.44Å
313Q29Very low36.2Very low130 Ų130130.8 Ų130.861%0.60767%0.674SS**  trans-36.4160.5150.2-156.5166.81700113Y311Y311-Q313 HydrophobicContact CE1-CB 3.91Å; Y311-Q313 VanDerWaalsContact CE1-OE1 3.23Å; Y311-Q313 VanDerWaalsContact CZ-OE1 3.28Å; Y311-Q313 PolarHBondContact OH-OE1 3.22Å
314S31.9Very low36.7Very low97 Ų97130.8 Ų130.868%0.67867%0.666SS**  trans93.1128.2171-75.90000116.8
315T38.8Very low37.2Very low75 Ų75125.8 Ų125.846%0.4665%0.648SS.*  cis-167.9146.48.725.10000108.7S317 N318T315-S317 WeakPolarHBondContact CB-OG 3.45Å; T315-S317 PolarHBondContact O-N 3.27Å; T315-S317 PolarHBondContact OG1-OG 3.43Å; T315-N318 PolarHBondContact O-N 3.47Å
316K39.7Very low38Very low200 Ų200123.5 Ų123.587%0.8764%0.635SS**Hα-helixtrans-48.2-12.3162.1-75.7178.1173.2178.30113.9K320K316-K320 PolarHBondContact O-N 3.04Å
317S41.4Very low38.2Very low59 Ų59126 Ų12641%0.41363%0.632SS.*Hα-helixtrans-71.5-25.5174.265.60000114.8T315 R321T315-S317 WeakPolarHBondContact CB-OG 3.45Å; T315-S317 PolarHBondContact O-N 3.27Å; T315-S317 PolarHBondContact OG1-OG 3.43Å; S317-R321 WeakPolarHBondContact O-CB 3.21Å; S317-R321 PolarHBondContact O-N 3.24Å; S317-R321 VanDerWaalsContact O-N 3.16Å
318N41.4Very low38.7Very low88 Ų88119.2 Ų119.247%0.47161%0.611SS.*Hα-helixtrans-77.2-32.6178.2-115.6-21000112.5T315 R321 M322T315-N318 PolarHBondContact O-N 3.47Å; N318-R321 PolarHBondContact O-N 2.81Å; N318-M322 PolarHBondContact O-N 3.44Å; N318-M322 VanDerWaalsContact O-N 3.08Å
319V49.2Very low39.1Very low89 Ų89117.9 Ų117.954%0.53961%0.606SS.*Hα-helixtrans-72.3-35.2174.2-179.90000111.2M322 K323V319-M322 PolarHBondContact O-N 2.85Å; V319-K323 PolarHBondContact O-N 3.38Å; V319-K323 VanDerWaalsContact O-N 3.08Å
320K42.2Very low39.4Very low138 Ų138118.5 Ų118.560%0.660%0.598SS**Hα-helixtrans-66.5-39.1174.4-160.1176.7-179.9-174.90111.7K316 K323 E324K316-K320 PolarHBondContact O-N 3.04Å; K320-K323 PolarHBondContact O-N 3.3Å; K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 3.23Å
321R43.5Very low39.8Very low171 Ų171118.2 Ų118.265%0.64559%0.59SS**Hα-helixtrans-68.5-33.8175.9-158.9-179.7-74.1164.5-6.8112.8S317 N318 G325S317-R321 WeakPolarHBondContact O-CB 3.21Å; S317-R321 PolarHBondContact O-N 3.24Å; S317-R321 VanDerWaalsContact O-N 3.16Å; N318-R321 PolarHBondContact O-N 2.81Å; R321-G325 PolarHBondContact O-N 3.2Å
322M43.4Very low40.4Very low114 Ų114116.4 Ų116.456%0.56259%0.59SS**Hα-helixtrans-66.7-43170.5-77177.9-156.300112.5N318 V319 E324 G325 I326N318-M322 PolarHBondContact O-N 3.44Å; N318-M322 VanDerWaalsContact O-N 3.08Å; V319-M322 PolarHBondContact O-N 2.85Å; M322-E324 VanDerWaalsContact C-N 3.34Å; M322-E324 PolarHBondContact O-N 2.89Å; M322-G325 PolarHBondContact O-N 3.25Å; M322-I326 WeakPolarHBondContact O-CD1 3.38Å; M322-I326 VanDerWaalsContact O-CG1 3.25Å; M322-I326 WeakPolarHBondContact O-CG1 3.44Å; M322-I326 PolarHBondContact O-N 2.89Å
323K46.4Very low40.7Very low147 Ų147112.8 Ų112.864%0.63958%0.58SS**Hα-helixtrans-66.5-33.1176.1-85.8-175.9173.8179.80113V319 K320 K327V319-K323 PolarHBondContact O-N 3.38Å; V319-K323 VanDerWaalsContact O-N 3.08Å; K320-K323 PolarHBondContact O-N 3.3Å; K323-K327 PolarHBondContact O-N 2.71Å
324E43.5Very low41.1Very low110 Ų110114.9 Ų114.951%0.51458%0.583SS.*Hα-helixtrans-75.3-35.7174.3-73.6167.6-173.500112.2K320 M322 K327 S328K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 3.23Å; M322-E324 VanDerWaalsContact C-N 3.34Å; M322-E324 PolarHBondContact O-N 2.89Å; E324-K327 PolarHBondContact O-N 3.01Å; E324-S328 WeakPolarHBondContact O-CB 3.22Å; E324-S328 PolarHBondContact O-N 3.46Å
325G40.9Very low41.1Very low38 Ų38116.6 Ų116.639%0.39259%0.585SS.*Hα-helixtrans-63.8-38.6172.900000113.2R321 M322 S328 S329R321-G325 PolarHBondContact O-N 3.2Å; M322-G325 PolarHBondContact O-N 3.25Å; G325-S328 PolarHBondContact O-N 3.48Å; G325-S329 PolarHBondContact O-N 2.93Å
326I48.9Very low41Very low105 Ų105121.1 Ų121.154%0.53860%0.6SS.*Hα-helixtrans-70.2-34.8176-65.8164.2000111.6M322 K330M322-I326 WeakPolarHBondContact O-CD1 3.38Å; M322-I326 VanDerWaalsContact O-CG1 3.25Å; M322-I326 WeakPolarHBondContact O-CG1 3.44Å; M322-I326 PolarHBondContact O-N 2.89Å; I326-K330 PolarHBondContact O-N 3.3Å
327K41.8Very low40.7Very low157 Ų157119.8 Ų119.868%0.68360%0.603SS**Hα-helixtrans-69.3-37.6171.8-90.1-176.9174.1-176.90112.6K323 E324 K330 N331K323-K327 PolarHBondContact O-N 2.71Å; E324-K327 PolarHBondContact O-N 3.01Å; K327-K330 PolarHBondContact O-N 2.93Å; K327-N331 PolarHBondContact O-N 3.48Å
328S39.5Very low40.3Very low63 Ų63121.6 Ų121.644%0.44162%0.615SS.*Hα-helixtrans-69.4-38.4177-166.70000112E324 G325 K330 N331 N332E324-S328 WeakPolarHBondContact O-CB 3.22Å; E324-S328 PolarHBondContact O-N 3.46Å; G325-S328 PolarHBondContact O-N 3.48Å; S328-K330 VanDerWaalsContact C-N 3.33Å; S328-K330 PolarHBondContact O-N 3.4Å; S328-N331 PolarHBondContact O-N 3.04Å; S328-N332 WeakPolarHBondContact O-CB 3.5Å; S328-N332 PolarHBondContact O-N 3.27Å; S328-N332 PolarHBondContact O-ND2 2.91Å
329S40.2Very low40.3Very low86 Ų86124.7 Ų124.760%0.60163%0.632SS**Hα-helixtrans-64.2-33171.7-100.40000113.3G325 L333G325-S329 PolarHBondContact O-N 2.93Å; S329-L333 WeakPolarHBondContact O-CB 3.21Å; S329-L333 PolarHBondContact O-N 2.88Å
330K39.6Very low39.7Very low149 Ų149127.2 Ų127.265%0.64864%0.642SS**Hα-helixtrans-72.1-29.1174.8-82.1-179.4174.1177.60113.6I326 K327 S328I326-K330 PolarHBondContact O-N 3.3Å; K327-K330 PolarHBondContact O-N 2.93Å; S328-K330 VanDerWaalsContact C-N 3.33Å; S328-K330 PolarHBondContact O-N 3.4Å
331N38.3Very low39.5Very low111 Ų111128.3 Ų128.359%0.59466%0.655SS**Hα-helixtrans-89.7-24.1-179.1-72.70.6000113.7K327 S328 N335K327-N331 PolarHBondContact O-N 3.48Å; S328-N331 PolarHBondContact O-N 3.04Å; N331-N335 PolarHBondContact O-ND2 2.96Å; N331-N335 VanDerWaalsContact O-ND2 3.09Å
332N37.5Very low39Very low118 Ų118127.5 Ų127.563%0.63166%0.663SS**Hα-helixtrans-86.1-11.4175.3-71.2-25.4000113.5S328 Y334S328-N332 WeakPolarHBondContact O-CB 3.5Å; S328-N332 PolarHBondContact O-N 3.27Å; S328-N332 PolarHBondContact O-ND2 2.91Å; N332-Y334 PolarHBondContact O-N 3.45Å
333L38.8Very low38.7Very low124 Ų124127.1 Ų127.165%0.64967%0.672SS**THydrogen-bonded Turntrans-81.53.6175.1-155.767.7000113.2S329S329-L333 WeakPolarHBondContact O-CB 3.21Å; S329-L333 PolarHBondContact O-N 2.88Å
334Y35.5Very low38.3Very low174 Ų174126.3 Ų126.368%0.68268%0.679SS**THydrogen-bonded Turntrans-127.18.9-172.5-110-90.6000114.8N332N332-Y334 PolarHBondContact O-N 3.45Å
335N32.3Very low37.8Very low133 Ų133129.3 Ų129.371%0.71170%0.697SS**SBendtrans-136.235.2-170.9-71.7-57.8000115.1N331N331-N335 PolarHBondContact O-ND2 2.96Å; N331-N335 VanDerWaalsContact O-ND2 3.09Å
336H37.3Very low37.2Very low170 Ų170131 Ų13179%0.78772%0.715SS**  trans-14455177.9-150.7-52000113.8
337D33.6Very low36.4Very low172 Ų172132.4 Ų132.492%0.9272%0.724SS**  trans-138.566.1168.8-79.7-40.5000110.9
338S33.3Very low36.2Very low96 Ų96130.6 Ų130.667%0.67172%0.718SS**  trans-156.599.3161.1410000106.3
339D40Very low36Very low154 Ų154133.1 Ų133.182%0.82473%0.731SS**  trans165.8110.5138.3-76.8-14.3000109.5
340D37.1Very low35.8Very low142 Ų142135 Ų13576%0.75974%0.738SS**  trans14.3122.2149.9-55.2-35.2000118.8
341N37.9Very low35.7Very low160 Ų160132.7 Ų132.786%0.85674%0.737SS**  178.5140.5115.4-93.7-61.2000112.7
342D33.3Very low35.7Very low154 Ų154130.3 Ų130.382%0.82473%0.728SS**  trans-56130.9175.5-64.9-59.3000113
343S37.3Very low35.9Very low107 Ų107127.8 Ų127.875%0.74871%0.714SS**  trans164125.113248.50000112.2
344V38Very low36.1Very low130 Ų130126.7 Ų126.779%0.78871%0.714SS**  trans66.6104.2135.3-175.40000117.7
345L33.3Very low36.6Very low172 Ų172123.4 Ų123.490%0.90171%0.705SS**  trans49.4103.4134.9-114.591.9000118.4
346G28.6Very low37.4Very low74 Ų74121.3 Ų121.376%0.76369%0.691SS**  trans90.986135.800000117.1
347N31.5Very low37.8Very low135 Ų135116.1 Ų116.172%0.72267%0.668SS**  trans-17871.2150.951.3-2.1000109.2T349N347-T349 PolarHBondContact O-N 3.27Å
348E36.7Very low38.3Very low118 Ų118111.4 Ų111.455%0.55164%0.643SS**  trans-76.496.3167.8-154.8172.7172.600107.1K45 V350K45-E348 VanDerWaalsContact CE-OE2 3.23Å; K45-E348 WeakPolarHBondContact CE-OE2 3.44Å; K45-E348 IonicContact NZ-OE2 2.7Å; K45-E348 PolarHBondContact NZ-OE2 3.27Å; E348-V350 PolarHBondContact O-N 2.89Å
349T35.9Very low38.8Very low117 Ų117107.7 Ų107.772%0.71862%0.618SS**  trans-57106.3170.240.60000108.3N347 V351N347-T349 PolarHBondContact O-N 3.27Å; T349-V351 VanDerWaalsContact C-N 3.32Å; T349-V351 PolarHBondContact O-N 2.96Å
350V35.7Very low39.1Very low124 Ų124105.3 Ų105.375%0.75261%0.605SS**  trans-62.4102.5160.2-178.70000105.4E348 C352E348-V350 PolarHBondContact O-N 2.89Å; V350-C352 PolarHBondContact O-N 3.11Å
351V37.4Very low39.7Very low102 Ų102102 Ų10262%0.61859%0.585SS**  trans-69.585.3168.4-178.90000105.8T349 D353T349-V351 VanDerWaalsContact C-N 3.32Å; T349-V351 PolarHBondContact O-N 2.96Å; V351-D353 PolarHBondContact O-N 3.41Å
352C39.4Very low40.3Very low60 Ų6097.7 Ų97.741%0.40556%0.559SS.*  trans-63.4122.9163.2-63.60000106.4V350 I357V350-C352 PolarHBondContact O-N 3.11Å; C352-I357 HydrophobicContact CB-CD1 3.97Å; C352-I357 HydrophobicContact CB-CG1 4.02Å
353D41.9Very low41Very low66 Ų6694.2 Ų94.235%0.35354%0.541SS..  trans-56.3133.1173.2-105-49.8000107.6R118 V351 H355 E356R118-D353 IonicContact CZ-OD2 2.91Å; R118-D353 IonicContact NH1-OD2 2.67Å; R118-D353 PolarHBondContact NH1-OD2 3.28Å; R118-D353 IonicContact NH2-OD2 3.16Å; V351-D353 PolarHBondContact O-N 3.41Å; D353-H355 PolarHBondContact O-N 3.47Å; D353-E356 WeakPolarHBondContact O-CB 2.94Å; D353-E356 PolarHBondContact O-N 3.08Å
354P42.6Very low41.8Very low100 Ų10095.7 Ų95.765%0.64954%0.535SS*.Hα-helixtrans-54.7-18.5176.2-26.633.8000113.6
355H44.8Very low42.1Very low106 Ų10695 Ų9549%0.49152%0.524SS..Hα-helixtrans-71.4-24.5174.2-110.2-106000114D145 L147 D353 A359D145-H355 IonicContact OD1-CE1 2.74Å; L147-H355 HydrophobicContact CD1-CB 4.18Å; L147-H355 WeakPolarHBondContact CD1-O 3.22Å; D353-H355 PolarHBondContact O-N 3.47Å; H355-A359 WeakPolarHBondContact O-CB 3.1Å
356E49.5Very low42.9Very low88 Ų8889.4 Ų89.441%0.41149%0.494SS..Hα-helixtrans-90.7-36.3-173.2-154176.6173.600111.7D353 A359 N360D353-E356 WeakPolarHBondContact O-CB 2.94Å; D353-E356 PolarHBondContact O-N 3.08Å; E356-A359 PolarHBondContact O-N 3.35Å; E356-N360 PolarHBondContact O-N 3.41Å; E356-N360 VanDerWaalsContact O-N 3.15Å
357I46Very low43.8Very low61 Ų6191.4 Ų91.431%0.31349%0.488SS..Hα-helixtrans-64.3-44176.8-58.8175.3000110.8C352 A359 N360 E361C352-I357 HydrophobicContact CB-CD1 3.97Å; C352-I357 HydrophobicContact CB-CG1 4.02Å; I357-A359 VanDerWaalsContact C-N 3.34Å; I357-A359 PolarHBondContact O-N 3.21Å; I357-N360 PolarHBondContact O-N 3.43Å; I357-E361 PolarHBondContact O-N 3.44Å
358L44Very low44.7Very low74 Ų7491.5 Ų91.539%0.38749%0.488SS..Hα-helixtrans-73.3-26.9-179.2-145.5108.2000112.5L147 F362L147-L358 HydrophobicContact CD1-CB 3.97Å; L147-L358 HydrophobicContact CD1-CD2 4.22Å; L147-L358 HydrophobicContact CD2-CB 3.98Å; L147-L358 HydrophobicContact CD2-CD2 3.32Å; L147-L358 HydrophobicContact CD2-CG 4.19Å; L147-L358 HydrophobicContact CG-CD2 4.41Å; L358-F362 WeakPolarHBondContact O-CB 2.99Å; L358-F362 PolarHBondContact O-N 3.1Å; L358-F362 VanDerWaalsContact O-N 3.12Å
359A44Very low45.3Very low18 Ų1894 Ų9415%0.14950%0.497CS..Hα-helixtrans-71.6-38.5175.500000111.7P146 H355 E356 I357 F362 N363P146-A359 HydrophobicContact CG-CB 4.23Å; H355-A359 WeakPolarHBondContact O-CB 3.1Å; E356-A359 PolarHBondContact O-N 3.35Å; I357-A359 VanDerWaalsContact C-N 3.34Å; I357-A359 PolarHBondContact O-N 3.21Å; A359-F362 PolarHBondContact O-N 3.22Å; A359-N363 WeakPolarHBondContact O-CB 2.92Å; A359-N363 PolarHBondContact O-N 3.01Å
360N47Very low46Very low103 Ų10394.8 Ų94.855%0.55150%0.496SS*.Hα-helixtrans-64.4-42174.8-69.4-12.4000111.3E356 I357 F362 N363 E364E356-N360 PolarHBondContact O-N 3.41Å; E356-N360 VanDerWaalsContact O-N 3.15Å; I357-N360 PolarHBondContact O-N 3.43Å; N360-F362 PolarHBondContact O-N 3.37Å; N360-N363 PolarHBondContact O-N 3.29Å; N360-E364 PolarHBondContact O-N 3Å; N360-E364 VanDerWaalsContact O-N 3.13Å
361E49.8Very low46.5Very low73 Ų7396.2 Ų96.234%0.34150%0.5SS..Hα-helixtrans-69.3-31.5178.6-156.6174.7-179.300113I357 Q365I357-E361 PolarHBondContact O-N 3.44Å; E361-Q365 WeakPolarHBondContact O-CG 3.05Å; E361-Q365 PolarHBondContact O-N 3.13Å; E361-Q365 PolarHBondContact O-NE2 3.42Å
362F49Very low46.8Very low69 Ų6994.7 Ų94.730%0.30351%0.505SS..Hα-helixtrans-78-36.8176.7-165.2-104.6000113P146 L358 A359 N360 Q365 L366P146-F362 HydrophobicContact CB-CD1 4.1Å; P146-F362 HydrophobicContact CB-CE1 4.48Å; L358-F362 WeakPolarHBondContact O-CB 2.99Å; L358-F362 PolarHBondContact O-N 3.1Å; L358-F362 VanDerWaalsContact O-N 3.12Å; A359-F362 PolarHBondContact O-N 3.22Å; N360-F362 PolarHBondContact O-N 3.37Å; F362-Q365 PolarHBondContact O-N 3.27Å; F362-L366 HydrophobicContact CD1-CD1 3.65Å; F362-L366 HydrophobicContact CE1-CD1 3.41Å; F362-L366 VanDerWaalsContact CE1-CD1 3.41Å; F362-L366 HydrophobicContact CE1-CG 4.35Å; F362-L366 HydrophobicContact CZ-CD1 4.21Å; F362-L366 PolarHBondContact O-N 3.49Å
363N49.3Very low47Very low82 Ų8299 Ų9944%0.43952%0.524SS..Hα-helixtrans-68.1-35.4175.7-81.3-18.3000112.1A359 N360 L366 N367A359-N363 WeakPolarHBondContact O-CB 2.92Å; A359-N363 PolarHBondContact O-N 3.01Å; N360-N363 PolarHBondContact O-N 3.29Å; N363-L366 PolarHBondContact O-N 3.34Å; N363-N367 PolarHBondContact O-N 3.14Å; N363-N367 VanDerWaalsContact O-N 3.11Å
364E53.8Low47Very low137 Ų137101.9 Ų101.964%0.6454%0.543SS*.Hα-helixtrans-64.4-40.2174.4-160.6170.7140.400111.5N360 L366 L368N360-E364 PolarHBondContact O-N 3Å; N360-E364 VanDerWaalsContact O-N 3.13Å; E364-L366 PolarHBondContact O-N 3.43Å; E364-L368 HydrophobicContact CG-CD1 4.36Å; E364-L368 WeakPolarHBondContact O-CD1 3.44Å; E364-L368 PolarHBondContact O-N 3.17Å
365Q44.8Very low47Very low116 Ų116104.1 Ų104.154%0.54255%0.55SS..Hα-helixtrans-71.7-23.5177.4-71.3178.942.700114.7E361 F362E361-Q365 WeakPolarHBondContact O-CG 3.05Å; E361-Q365 PolarHBondContact O-N 3.13Å; E361-Q365 PolarHBondContact O-NE2 3.42Å; F362-Q365 PolarHBondContact O-N 3.27Å
366L48.6Very low47Very low54 Ų54105.2 Ų105.228%0.28357%0.565SS.*Hα-helixtrans-81.7-41.4175.5-86.4162.1000111.8F362 N363 E364 L368 K369F362-L366 HydrophobicContact CD1-CD1 3.65Å; F362-L366 HydrophobicContact CE1-CD1 3.41Å; F362-L366 VanDerWaalsContact CE1-CD1 3.41Å; F362-L366 HydrophobicContact CE1-CG 4.35Å; F362-L366 HydrophobicContact CZ-CD1 4.21Å; F362-L366 PolarHBondContact O-N 3.49Å; N363-L366 PolarHBondContact O-N 3.34Å; E364-L366 PolarHBondContact O-N 3.43Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.82Å; L366-K369 PolarHBondContact O-N 2.87Å; L366-K369 VanDerWaalsContact O-N 3.11Å
367N47.8Very low46.6Very low117 Ų117109.6 Ų109.663%0.62658%0.582SS**Hα-helixtrans-66.3-32.7177.3-74.6-24.6000112.3N363 K369N363-N367 PolarHBondContact O-N 3.14Å; N363-N367 VanDerWaalsContact O-N 3.11Å; N367-K369 PolarHBondContact O-N 3.41Å
368L51.1Low46.6Very low137 Ų137117 Ų11772%0.71761%0.612SS**Hα-helixtrans-70.7-8.4173.8-86.9151.8000114.4E364 L366E364-L368 HydrophobicContact CG-CD1 4.36Å; E364-L368 WeakPolarHBondContact O-CD1 3.44Å; E364-L368 PolarHBondContact O-N 3.17Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.82Å
369K49.4Very low46.8Very low171 Ų171120.4 Ų120.474%0.74363%0.626SS**Hα-helixtrans-106.4-16.8-172.7-135.9163.1-174163.70114.4L366 N367L366-K369 PolarHBondContact O-N 2.87Å; L366-K369 VanDerWaalsContact O-N 3.11Å; N367-K369 PolarHBondContact O-N 3.41Å
370D49.8Very low46.7Very low132 Ų132124 Ų12471%0.70665%0.65SS**Hα-helixtrans-97-11.9-179.3-80.5-24000113.8G372D370-G372 PolarHBondContact O-N 2.81Å
371D47Very low46.8Very low154 Ų154125.9 Ų125.982%0.82467%0.666SS**THydrogen-bonded Turntrans-89.111.1-178.9-69.8-23.8000114.8
372G44.2Very low46.4Very low71 Ų71135.4 Ų135.473%0.73271%0.711SS**THydrogen-bonded Turntrans-1115.3-168.700000117.6D370D370-G372 PolarHBondContact O-N 2.81Å
373N42Very low46.3Very low149 Ų149138.8 Ų138.880%0.79773%0.731SS**  trans-15258.1-172.8-164.234000113.8
374V43.3Very low46.2Very low127 Ų127141.7 Ų141.777%0.7775%0.746SS**  trans-137.788.1165-178.60000105.9
375D41Very low45.7Very low147 Ų147142 Ų14279%0.78675%0.752SS**SBendtrans175.2137.3151.8-84.1-25.6000107.9
376T46.1Very low45.8Very low130 Ų130143.5 Ų143.580%0.79877%0.765SS**  trans88.689.8177-28.80000115.2
377F39.8Very low45.6Very low179 Ų179149.1 Ų149.179%0.78580%0.795SS**  trans17193.8130.6-109.3-88.5000109.4
378K46.9Very low45.5Very low216 Ų216151.3 Ų151.394%0.93981%0.806SS**  trans-150.694.8146.5-115177.1-176.1179.40108.6
379E48.2Very low45.1Very low146 Ų146152.3 Ų152.368%0.68281%0.812SS**  trans-73.6144.9173.5-143.9177.6140.700110.3
380S42.5Very low44.7Very low94 Ų94150.8 Ų150.866%0.65782%0.818SS**  trans43.198.3143.155.40000118.9
381T48.8Very low44.3Very low143 Ų143152.4 Ų152.488%0.87783%0.827SS**  trans-153.476.5145.880000108.3
382E42Very low44.1Very low273 Ų273152.3 Ų152.3100%1.27683%0.827SS**  trans170.70143.3-95.3-179.8170.200110.3

Retrieved 382 of 382 residues in 113.7 ms (Link to these results)

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