G4M0I5_SCHMA Loading...

Tumor protein d52, putative

AlphaFold DB , UniProt , Accession G4M0I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 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
1M44Very low54.3Low221 Ų221154.5 Ų154.5100%1.08979%0.787SS**  0420-62.5-69.8-169.100107.2
2D46Very low54.2Low143 Ų143150.8 Ų150.877%0.76578%0.783SS**  8588.383.7-71.38.6000108
3L44.7Very low54.2Low173 Ų173149.6 Ų149.691%0.90678%0.779SS**  4595.884.2-83.6162000112.2
4A58.8Low54.6Low85 Ų85149.1 Ų149.170%0.70278%0.778SS**  trans-160.986.7142.800000108.7L6A4-L6 PolarHBondContact O-N 3.46Å
5Y52.6Low55.1Low210 Ų210147.9 Ų147.982%0.82477%0.771SS**  trans-64.3110153.9-167.8-93.9000106.3D7Y5-D7 HydrophobicContact CD1-CB 4.07Å; Y5-D7 HydrophobicContact CE1-CB 4.3Å
6L60.5Low55.3Low143 Ų143145.9 Ų145.975%0.74977%0.773SS**  trans-116.791.4162.4-77.6155.2000102.2A4A4-L6 PolarHBondContact O-N 3.46Å
7D55Low55.4Low126 Ų126145.5 Ų145.567%0.67477%0.769SS**  40.271.267.9-14728.6000111.3Y5Y5-D7 HydrophobicContact CD1-CB 4.07Å; Y5-D7 HydrophobicContact CE1-CB 4.3Å
8D62.2Low55.3Low121 Ų121141.3 Ų141.365%0.64777%0.767SS**  trans-140.193161.2-100-42.8000110.1
9K61.4Low55.5Low153 Ų153140.8 Ų140.867%0.66576%0.762SS**  trans65.977.8140.4-56.7-167.9-17773.30116.7E11K9-E11 PolarHBondContact O-N 3.41Å
10D52.3Low55.8Low177 Ų177139 Ų13995%0.94775%0.752SS**  trans-62.778.9135.7-67-37.2000108.8
11E59.5Low56Low148 Ų148139.5 Ų139.569%0.69275%0.753SS**  trans-10868.7156.7-158.6168.1-164.200106.1K9 N13K9-E11 PolarHBondContact O-N 3.41Å; E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.19Å
12C53.2Low56.7Low110 Ų110132.4 Ų132.474%0.74373%0.725SS**  trans-57109.2153.8-101.50000105D14C12-D14 PolarHBondContact O-N 3.22Å
13N53.9Low57.1Low135 Ų135133.5 Ų133.572%0.72273%0.726SS**  trans-58.177.7161.2-79.5-21.1000107.5E11 I15E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.19Å; N13-I15 PolarHBondContact O-N 3.5Å
14D60.5Low57.4Low143 Ų143132 Ų13277%0.76572%0.718SS**  trans-66.588.2161.2-88.2-10000105.4C12 S16C12-D14 PolarHBondContact O-N 3.22Å; D14-S16 PolarHBondContact O-N 3.16Å
15I61.1Low56.9Low131 Ų131136.7 Ų136.767%0.67272%0.719SS**  trans-65.898.6159.7-53172.6000103.3N13 I17N13-I15 PolarHBondContact O-N 3.5Å; I15-I17 HydrophobicContact CB-CG1 4.2Å; I15-I17 HydrophobicContact CG2-CD1 4.39Å; I15-I17 HydrophobicContact CG2-CG1 3.69Å; I15-I17 WeakPolarHBondContact O-CG1 3.31Å; I15-I17 PolarHBondContact O-N 3.11Å
16S59Low56.5Low116 Ų116132.2 Ų132.281%0.81171%0.714SS**  trans-60.993.6166.3-82.80000107.8D14 G18D14-S16 PolarHBondContact O-N 3.16Å; S16-G18 PolarHBondContact O-N 2.94Å
17I57.7Low55.7Low138 Ų138133.4 Ų133.471%0.70872%0.716SS**  trans-83.530.2170.6-52.1159.9000108.8I15 I19I15-I17 HydrophobicContact CB-CG1 4.2Å; I15-I17 HydrophobicContact CG2-CD1 4.39Å; I15-I17 HydrophobicContact CG2-CG1 3.69Å; I15-I17 WeakPolarHBondContact O-CG1 3.31Å; I15-I17 PolarHBondContact O-N 3.11Å; I17-I19 PolarHBondContact O-N 2.67Å
18G52.2Low55.3Low71 Ų71132.4 Ų132.473%0.73271%0.714SS**  trans-7474.3178.300000110.3S16 D20S16-G18 PolarHBondContact O-N 2.94Å; G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.22Å; G18-D20 VanDerWaalsContact O-N 3.16Å
19I60.5Low54.6Low132 Ų132134 Ų13468%0.67772%0.723SS**  trans-73.397.4157.9-62.2171.1000104.7I17 I21I17-I19 PolarHBondContact O-N 2.67Å; I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 HydrophobicContact CG2-CG2 4.49Å; I19-I21 WeakPolarHBondContact O-CG1 3.36Å; I19-I21 PolarHBondContact O-N 3.32Å
20D60.4Low54.2Low104 Ų104134.6 Ų134.656%0.55673%0.733SS**  trans-69.9100167.5-167.2-6.8000107.9G18 S22G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.22Å; G18-D20 VanDerWaalsContact O-N 3.16Å; D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.3Å
21I61Low54.3Low149 Ų149129.3 Ų129.376%0.76471%0.707SS**THydrogen-bonded Turntrans-82.16.8179.3-2.3172.2000111.7I19I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 HydrophobicContact CG2-CG2 4.49Å; I19-I21 WeakPolarHBondContact O-CG1 3.36Å; I19-I21 PolarHBondContact O-N 3.32Å
22S57.4Low54.4Low72 Ų72126.4 Ų126.450%0.50370%0.703SS.*THydrogen-bonded Turntrans-94.8-4.4-168.3-44.10000114.7D20 Y25D20-S22 PolarHBondContact O-N 3.37Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.3Å; S22-Y25 WeakPolarHBondContact O-CE1 3.34Å
23E54.3Low55Low167 Ų167127.2 Ų127.278%0.7870%0.7SS**SBendtrans-126.458-170.5-71.4-173.515100113.8
24D50.8Low55.9Low140 Ų140126.2 Ų126.275%0.74970%0.695SS**  trans-166.264.5145.3-148.42000113.8
25Y48.5Very low56.6Low185 Ų185121.6 Ų121.673%0.72567%0.673SS**SBendtrans-129.440.2168.556.7-91.3000112.1S22S22-Y25 WeakPolarHBondContact O-CE1 3.34Å
26T44.9Very low57.2Low116 Ų116118 Ų11871%0.71266%0.656SS**SBendtrans-142.540.4178.556.80000115.1
27Q44.4Very low58.1Low168 Ų168117.6 Ų117.679%0.78564%0.643SS**  trans-15664.4171.1-155.380.150.100116
28T45.9Very low59.3Low104 Ų104117.7 Ų117.764%0.63864%0.638SS**  trans-143.668.9162.9670000113.1V31T28-V31 HydrophobicContact CG2-CG2 3.97Å
29N46.6Very low60.5Low155 Ų155118.1 Ų118.183%0.82962%0.622SS**SBendtrans-89.6113.7155.9-70-44.4000106.9
30N53.6Low61.6Low166 Ų166119.3 Ų119.389%0.88862%0.618SS**SBendtrans87.258.7178.4-49.9-72000117.8
31V55.7Low62.6Low65 Ų65117 Ų11739%0.39461%0.613SS.*  trans-115.5121.2170.3179.10000108.7T28 S35T28-V31 HydrophobicContact CG2-CG2 3.97Å; V31-S35 WeakPolarHBondContact CG1-OG 2.95Å
32S60.7Low63.7Low87 Ų87115.1 Ų115.161%0.60860%0.601SS**  trans-53.4141.7-179.7-163.20000111.1D34 S35 L36S32-D34 PolarHBondContact O-N 2.88Å; S32-D34 VanDerWaalsContact O-N 3.09Å; S32-S35 PolarHBondContact N-OG 3.33Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 3.02Å; S32-L36 PolarHBondContact O-N 2.63Å
33D65.4Low65.1Low128 Ų128118.9 Ų118.968%0.68461%0.605SS**Hα-helixtrans-51.5-39.4-175-71.1-27.2000112.9S35 L36 I37D33-S35 PolarHBondContact O-N 2.95Å; D33-L36 PolarHBondContact O-N 3.44Å; D33-I37 WeakPolarHBondContact O-CG1 3.18Å; D33-I37 PolarHBondContact O-N 2.86Å
34D72.5Confident66.6Low114 Ų114115.2 Ų115.261%0.6159%0.594SS**Hα-helixtrans-60.7-37.7177.4-76-6.2000113.9S32 K38S32-D34 PolarHBondContact O-N 2.88Å; S32-D34 VanDerWaalsContact O-N 3.09Å; D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 3.4Å
35S74.9Confident68.5Low45 Ų45114 Ų11432%0.31558%0.584SS.*Hα-helixtrans-71.1-36.9176.828.40000111.8V31 S32 D33 K38 M39V31-S35 WeakPolarHBondContact CG1-OG 2.95Å; S32-S35 PolarHBondContact N-OG 3.33Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 3.02Å; D33-S35 PolarHBondContact O-N 2.95Å; S35-K38 PolarHBondContact O-N 3.46Å; S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.38Å; S35-M39 PolarHBondContact O-N 2.93Å
36L75.1Confident70.4Confident57 Ų57110.7 Ų110.730%0.29858%0.575SS.*Hα-helixtrans-68.3-38.9179.5-165.5153.3000111.3S32 D33 M39 R40S32-L36 PolarHBondContact O-N 2.63Å; D33-L36 PolarHBondContact O-N 3.44Å; L36-M39 PolarHBondContact O-N 3.45Å; L36-R40 HydrophobicContact CD2-CG 4.19Å; L36-R40 WeakPolarHBondContact O-CG 3.16Å; L36-R40 PolarHBondContact O-N 2.76Å
37I78.5Confident72.5Confident107 Ų107111 Ų11155%0.54957%0.571SS.*Hα-helixtrans-63-43.9174.3-66.1165.6000110.8D33 R40 A41D33-I37 WeakPolarHBondContact O-CG1 3.18Å; D33-I37 PolarHBondContact O-N 2.86Å; I37-R40 PolarHBondContact O-N 3.11Å; I37-A41 WeakPolarHBondContact O-CB 3.2Å; I37-A41 PolarHBondContact O-N 2.83Å
38K82.1Confident74.7Confident139 Ų139108.5 Ų108.560%0.60456%0.558SS**Hα-helixtrans-62.8-44.2176.8-73.5174.3-176.5177.30112.4D34 S35 A41 Q42D34-K38 WeakPolarHBondContact O-CG 3.35Å; D34-K38 PolarHBondContact O-N 3.4Å; S35-K38 PolarHBondContact O-N 3.46Å; K38-A41 PolarHBondContact O-N 2.82Å; K38-Q42 WeakPolarHBondContact O-CG 3.1Å; K38-Q42 PolarHBondContact O-N 2.74Å
39M78.2Confident77Confident80 Ų80108.7 Ų108.739%0.39455%0.552SS.*Hα-helixtrans-61-46.2176.5-72.7-66.8-61.900111.4S35 L36 A41 Q42 W43S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.38Å; S35-M39 PolarHBondContact O-N 2.93Å; L36-M39 PolarHBondContact O-N 3.45Å; M39-A41 VanDerWaalsContact C-N 3.34Å; M39-A41 PolarHBondContact O-N 2.95Å; M39-Q42 PolarHBondContact O-N 2.76Å; M39-W43 HydrophobicContact CE-CH2 4.44Å; M39-W43 HydrophobicContact CE-CZ2 3.62Å; M39-W43 PolarHBondContact O-N 3.31Å
40R82Confident79.2Confident158 Ų158104.9 Ų104.960%0.59653%0.534SS*.Hα-helixtrans-60.4-43.4175.4-77.8-175.9175.6154.91.1112.1L36 I37 Q42 W43 T44L36-R40 HydrophobicContact CD2-CG 4.19Å; L36-R40 WeakPolarHBondContact O-CG 3.16Å; L36-R40 PolarHBondContact O-N 2.76Å; I37-R40 PolarHBondContact O-N 3.11Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 2.86Å; R40-W43 PolarHBondContact O-N 2.83Å; R40-T44 WeakPolarHBondContact O-CG2 3.17Å; R40-T44 PolarHBondContact O-N 3.14Å; R40-T44 PolarHBondContact O-OG1 2.89Å
41A82.6Confident81.1Confident55 Ų55101.5 Ų101.546%0.45551%0.512SS..Hα-helixtrans-62.7-39.6177.700000112.2I37 K38 M39 T44 E45I37-A41 WeakPolarHBondContact O-CB 3.2Å; I37-A41 PolarHBondContact O-N 2.83Å; K38-A41 PolarHBondContact O-N 2.82Å; M39-A41 VanDerWaalsContact C-N 3.34Å; M39-A41 PolarHBondContact O-N 2.95Å; A41-T44 WeakPolarHBondContact CA-OG1 3.27Å; A41-T44 PolarHBondContact O-N 3.34Å; A41-T44 PolarHBondContact O-OG1 2.83Å; A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.13Å
42Q84.5Confident82.8Confident109 Ų109102.3 Ų102.351%0.50952%0.515SS..Hα-helixtrans-63.7-48.3174.8-74.6174.4-13.100111.4K38 M39 R40 T44 E45 E46K38-Q42 WeakPolarHBondContact O-CG 3.1Å; K38-Q42 PolarHBondContact O-N 2.74Å; M39-Q42 PolarHBondContact O-N 2.76Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 2.86Å; Q42-T44 VanDerWaalsContact C-N 3.32Å; Q42-T44 PolarHBondContact O-N 3.29Å; Q42-E45 PolarHBondContact O-N 3.43Å; Q42-E45 VanDerWaalsContact O-N 3.14Å; Q42-E46 PolarHBondContact O-N 3.43Å
43W85.1Confident84.4Confident151 Ų151102.9 Ų102.957%0.57251%0.508SS*.Hα-helixtrans-63.6-34.9177.3-66.6-24.5000113.3M39 R40 E45 L47M39-W43 HydrophobicContact CE-CH2 4.44Å; M39-W43 HydrophobicContact CE-CZ2 3.62Å; M39-W43 PolarHBondContact O-N 3.31Å; R40-W43 PolarHBondContact O-N 2.83Å; W43-E45 VanDerWaalsContact C-N 3.32Å; W43-L47 WeakPolarHBondContact O-CB 3.2Å; W43-L47 PolarHBondContact O-N 3.29Å
44T86.6Confident85.7Confident91 Ų9199.7 Ų99.756%0.55849%0.49SS*.Hα-helixtrans-67.6-34175.150.60000112.5R40 A41 Q42 K48R40-T44 WeakPolarHBondContact O-CG2 3.17Å; R40-T44 PolarHBondContact O-N 3.14Å; R40-T44 PolarHBondContact O-OG1 2.89Å; A41-T44 WeakPolarHBondContact CA-OG1 3.27Å; A41-T44 PolarHBondContact O-N 3.34Å; A41-T44 PolarHBondContact O-OG1 2.83Å; Q42-T44 VanDerWaalsContact C-N 3.32Å; Q42-T44 PolarHBondContact O-N 3.29Å; T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 3.17Å; T44-K48 VanDerWaalsContact O-N 3.11Å
45E90.4Very high86.8Confident114 Ų114100.2 Ų100.253%0.53349%0.489SS..Hα-helixtrans-73.2-43.9176-170.763-158.700111.1A41 Q42 W43 L47 K48 Q49A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact O-N 3.43Å; Q42-E45 VanDerWaalsContact O-N 3.14Å; W43-E45 VanDerWaalsContact C-N 3.32Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.39Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 3.1Å; E45-Q49 PolarHBondContact O-N 3.42Å
46E88.2Confident87.7Confident116 Ų116101.8 Ų101.854%0.54250%0.497SS..Hα-helixtrans-60.1-43.5174.2-73.4-178.6-178.300111.6Q42 K48 Q49 V50Q42-E46 PolarHBondContact O-N 3.43Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.12Å; E46-Q49 PolarHBondContact O-N 3.46Å; E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 2.89Å
47L88.6Confident88.7Confident121 Ų121103.9 Ų103.963%0.63451%0.507SS*.Hα-helixtrans-60.3-43.4176.1-17764.6000111.5W43 E45 V50 E51W43-L47 WeakPolarHBondContact O-CB 3.2Å; W43-L47 PolarHBondContact O-N 3.29Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.39Å; L47-V50 PolarHBondContact O-N 3.34Å; L47-E51 PolarHBondContact O-N 3.22Å
48K91.4Very high89.5Confident116 Ų116106 Ų10650%0.50451%0.508SS..Hα-helixtrans-63-44.6176.9-178.2-172.1168.9-161.90111.5T44 E45 E46 V50 E51 D52T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 3.17Å; T44-K48 VanDerWaalsContact O-N 3.11Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 3.1Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.12Å; K48-V50 PolarHBondContact O-N 2.79Å; K48-E51 PolarHBondContact O-N 3.06Å; K48-D52 PolarHBondContact O-N 3.18Å
49Q93.8Very high90.1Very high109 Ų109105 Ų10551%0.50951%0.506SS..Hα-helixtrans-59.9-46.2176.6-177.1-174.8-11.200111.5E45 E46 E51 D52 E53E45-Q49 PolarHBondContact O-N 3.42Å; E46-Q49 PolarHBondContact O-N 3.46Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.31Å; Q49-D52 PolarHBondContact O-N 2.85Å; Q49-E53 PolarHBondContact NE2-OE1 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.3Å; Q49-E53 PolarHBondContact O-N 2.92Å
50V93Very high91Very high74 Ų74104.1 Ų104.145%0.44851%0.505SS..Hα-helixtrans-63.5-39.2178.8171.70000111.2E46 L47 K48 E53 I54E46-V50 WeakPolarHBondContact O-CG2 3.37Å; E46-V50 PolarHBondContact O-N 2.89Å; L47-V50 PolarHBondContact O-N 3.34Å; K48-V50 PolarHBondContact O-N 2.79Å; V50-E53 PolarHBondContact O-N 2.8Å; V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.94Å
51E93Very high91.6Very high95 Ų95102.1 Ų102.144%0.44451%0.506SS..Hα-helixtrans-64.6-42.6176.7-166.363.8-138.500112L47 K48 Q49 E53 I54 Q55L47-E51 PolarHBondContact O-N 3.22Å; K48-E51 PolarHBondContact O-N 3.06Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.31Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.29Å; E51-I54 PolarHBondContact O-N 3.45Å; E51-Q55 PolarHBondContact O-N 2.85Å
52D93.3Very high92.1Very high83 Ų83104.3 Ų104.344%0.44451%0.509SS..Hα-helixtrans-62-40.5175.3-74.1-18.1000111.7K48 Q49 Q55 T56K48-D52 PolarHBondContact O-N 3.18Å; Q49-D52 PolarHBondContact O-N 2.85Å; D52-Q55 PolarHBondContact O-N 3.41Å; D52-T56 WeakPolarHBondContact O-CB 3.33Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 3.06Å
53E93.1Very high92.3Very high98 Ų98102.6 Ų102.646%0.45851%0.51SS..Hα-helixtrans-64.5-43.8174.4-73.4178.7-158.100111.6Q49 V50 E51 Q55 T56 L57Q49-E53 PolarHBondContact NE2-OE1 3.28Å; Q49-E53 WeakPolarHBondContact O-CG 3.3Å; Q49-E53 PolarHBondContact O-N 2.92Å; V50-E53 PolarHBondContact O-N 2.8Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3.29Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.47Å; E53-T56 PolarHBondContact O-N 3.09Å; E53-L57 WeakPolarHBondContact O-CB 3.5Å; E53-L57 VanDerWaalsContact O-CG 3.23Å; E53-L57 WeakPolarHBondContact O-CG 3.1Å; E53-L57 PolarHBondContact O-N 3.17Å
54I93.9Very high92.8Very high61 Ų61102.2 Ų102.231%0.31351%0.512SS..Hα-helixtrans-59.7-45.7175.1-72.2166.1000110.5V50 E51 L57 R58V50-I54 HydrophobicContact CG1-CD1 3.88Å; V50-I54 HydrophobicContact CG1-CG1 4.42Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.94Å; E51-I54 PolarHBondContact O-N 3.45Å; I54-L57 PolarHBondContact O-N 3.16Å; I54-R58 HydrophobicContact CG2-CG 4.49Å; I54-R58 WeakPolarHBondContact O-CB 3.12Å; I54-R58 VanDerWaalsContact O-CG 3.28Å; I54-R58 WeakPolarHBondContact O-CG 3.46Å; I54-R58 PolarHBondContact O-N 3.32Å
55Q94.6Very high93Very high126 Ų126103 Ų10359%0.58951%0.508SS*.Hα-helixtrans-62.6-45.8179-176.4175-10.400111.3E51 D52 E53 R58 Q59E51-Q55 PolarHBondContact O-N 2.85Å; D52-Q55 PolarHBondContact O-N 3.41Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.47Å; Q55-R58 WeakPolarHBondContact O-CB 3.32Å; Q55-R58 PolarHBondContact O-N 3.13Å; Q55-Q59 PolarHBondContact O-N 2.78Å; Q55-Q59 VanDerWaalsContact O-N 3.07Å
56T94.6Very high92.9Very high78 Ų78106.4 Ų106.448%0.47952%0.516SS..Hα-helixtrans-61.4-47177-58.60000111.2D52 E53 R58 Q59 V60D52-T56 WeakPolarHBondContact O-CB 3.33Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 3.06Å; E53-T56 PolarHBondContact O-N 3.09Å; T56-R58 PolarHBondContact O-N 3.26Å; T56-Q59 WeakPolarHBondContact O-CB 3.12Å; T56-Q59 PolarHBondContact O-N 2.94Å; T56-Q59 VanDerWaalsContact O-N 3.16Å; T56-V60 HydrophobicContact CG2-CG2 4.5Å; T56-V60 WeakPolarHBondContact O-CG2 3.16Å; T56-V60 PolarHBondContact O-N 3.25Å
57L95.6Very high92.9Very high100 Ų100109.8 Ų109.852%0.52452%0.524SS..Hα-helixtrans-61-44.6178.1-73.4174.2000111.2E53 I54 Q59 V60 L61E53-L57 WeakPolarHBondContact O-CB 3.5Å; E53-L57 VanDerWaalsContact O-CG 3.23Å; E53-L57 WeakPolarHBondContact O-CG 3.1Å; E53-L57 PolarHBondContact O-N 3.17Å; I54-L57 PolarHBondContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.1Å; L57-V60 PolarHBondContact O-N 2.95Å; L57-L61 HydrophobicContact CB-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CD1 3.41Å; L57-L61 PolarHBondContact O-N 3.41Å
58R94.9Very high92.9Very high151 Ų151108.5 Ų108.557%0.5751%0.514SS*.Hα-helixtrans-54.3-45.6173.8-77.1172174.6159.42.1111.6I54 Q55 T56 L61 L62I54-R58 HydrophobicContact CG2-CG 4.49Å; I54-R58 WeakPolarHBondContact O-CB 3.12Å; I54-R58 VanDerWaalsContact O-CG 3.28Å; I54-R58 WeakPolarHBondContact O-CG 3.46Å; I54-R58 PolarHBondContact O-N 3.32Å; Q55-R58 WeakPolarHBondContact O-CB 3.32Å; Q55-R58 PolarHBondContact O-N 3.13Å; T56-R58 PolarHBondContact O-N 3.26Å; R58-L61 PolarHBondContact O-N 3.44Å; R58-L62 WeakPolarHBondContact O-CB 3.42Å; R58-L62 WeakPolarHBondContact O-CG 3.33Å; R58-L62 PolarHBondContact O-N 3.23Å
59Q94.5Very high92.6Very high118 Ų118105.8 Ų105.855%0.55150%0.503SS*.Hα-helixtrans-63.3-45.3178.1-168.6-179.22500111.9Q55 T56 L57 L61 L62 S63Q55-Q59 PolarHBondContact O-N 2.78Å; Q55-Q59 VanDerWaalsContact O-N 3.07Å; T56-Q59 WeakPolarHBondContact O-CB 3.12Å; T56-Q59 PolarHBondContact O-N 2.94Å; T56-Q59 VanDerWaalsContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.1Å; Q59-L61 PolarHBondContact O-N 3.42Å; Q59-L62 PolarHBondContact O-N 3.45Å; Q59-S63 WeakPolarHBondContact O-CB 3.14Å; Q59-S63 PolarHBondContact O-N 3.31Å
60V96.9Very high92.1Very high63 Ų63106.7 Ų106.738%0.38251%0.506SS..Hα-helixtrans-61.4-43.7176.2171.60000111.2T56 L57 S63 K64T56-V60 HydrophobicContact CG2-CG2 4.5Å; T56-V60 WeakPolarHBondContact O-CG2 3.16Å; T56-V60 PolarHBondContact O-N 3.25Å; L57-V60 PolarHBondContact O-N 2.95Å; V60-S63 WeakPolarHBondContact O-CB 3.4Å; V60-S63 PolarHBondContact O-N 3.45Å; V60-K64 HydrophobicContact CG1-CD 4.14Å; V60-K64 VanDerWaalsContact CG1-CE 3.44Å; V60-K64 WeakPolarHBondContact O-CB 3.27Å; V60-K64 WeakPolarHBondContact O-CG 3.35Å; V60-K64 PolarHBondContact O-N 2.88Å
61L95.4Very high91.8Very high116 Ų116107.8 Ų107.861%0.60751%0.509SS*.Hα-helixtrans-60.9-47.1176.5-90.8130.5000111.3L57 R58 Q59 S63 K64 F65L57-L61 HydrophobicContact CB-CD1 4.31Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CD1 3.41Å; L57-L61 PolarHBondContact O-N 3.41Å; R58-L61 PolarHBondContact O-N 3.44Å; Q59-L61 PolarHBondContact O-N 3.42Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 2.89Å; L61-K64 PolarHBondContact O-N 3.11Å; L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.9Å
62L92.5Very high91.4Very high100 Ų100106.6 Ų106.652%0.52450%0.502SS..Hα-helixtrans-63.1-41176.6-72.1174000111.9R58 Q59 F65 R66R58-L62 WeakPolarHBondContact O-CB 3.42Å; R58-L62 WeakPolarHBondContact O-CG 3.33Å; R58-L62 PolarHBondContact O-N 3.23Å; Q59-L62 PolarHBondContact O-N 3.45Å; L62-F65 PolarHBondContact O-N 2.98Å; L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.88Å
63S90.1Very high90.7Very high74 Ų74111.1 Ų111.152%0.51751%0.513SS..Hα-helixtrans-59.9-47174.2179.60000111.6Q59 V60 L61 R66 R67Q59-S63 WeakPolarHBondContact O-CB 3.14Å; Q59-S63 PolarHBondContact O-N 3.31Å; V60-S63 WeakPolarHBondContact O-CB 3.4Å; V60-S63 PolarHBondContact O-N 3.45Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 2.89Å; S63-R66 PolarHBondContact O-N 3.04Å; S63-R67 PolarHBondContact O-N 3.17Å
64K94.7Very high90.1Very high142 Ų142112.8 Ų112.862%0.61752%0.521SS*.Hα-helixtrans-65.2-40.2176.1-71179-169.2-68.20112.2V60 L61 R67 Q68V60-K64 HydrophobicContact CG1-CD 4.14Å; V60-K64 VanDerWaalsContact CG1-CE 3.44Å; V60-K64 WeakPolarHBondContact O-CB 3.27Å; V60-K64 WeakPolarHBondContact O-CG 3.35Å; V60-K64 PolarHBondContact O-N 2.88Å; L61-K64 PolarHBondContact O-N 3.11Å; K64-R67 PolarHBondContact O-N 2.95Å; K64-Q68 PolarHBondContact O-N 3.01Å
65F90Very high89.4Confident109 Ų109115.5 Ų115.548%0.47854%0.535SS..Hα-helixtrans-62.4-45.4176.1-176.4-98.3000111.2L61 L62 R67 Q68 Q69L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.9Å; L62-F65 PolarHBondContact O-N 2.98Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.23Å; F65-Q68 WeakPolarHBondContact O-CB 3.43Å; F65-Q68 PolarHBondContact O-N 3.32Å; F65-Q69 HydrophobicContact CD1-CG 3.98Å; F65-Q69 HydrophobicContact CE1-CG 3.68Å; F65-Q69 HydrophobicContact CE2-CG 4.47Å; F65-Q69 HydrophobicContact CG-CG 4.5Å; F65-Q69 HydrophobicContact CZ-CG 3.96Å; F65-Q69 VanDerWaalsContact O-CG 3.27Å; F65-Q69 WeakPolarHBondContact O-CG 3.27Å; F65-Q69 PolarHBondContact O-N 3.35Å
66R89.9Confident88.1Confident185 Ų185112 Ų11270%0.69853%0.533SS*.Hα-helixtrans-58.7-44.1174.4-74.4176-175.9165.41.5111.7L62 S63 Q69 F70L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.88Å; S63-R66 PolarHBondContact O-N 3.04Å; R66-Q69 PolarHBondContact O-N 2.92Å; R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 3.16Å
67R87.6Confident86.6Confident187 Ų187113.2 Ų113.271%0.70654%0.535SS*.Hα-helixtrans-62.1-42.6175.9-175.5173.5-179.6153.3-1112.2S63 K64 F65 F70 L71S63-R67 PolarHBondContact O-N 3.17Å; K64-R67 PolarHBondContact O-N 2.95Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.23Å; R67-F70 PolarHBondContact O-N 2.89Å; R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 PolarHBondContact O-N 3.46Å
68Q87.5Confident85.1Confident93 Ų93111.3 Ų111.344%0.43553%0.528SS..Hα-helixtrans-62.3-45.6175.3-174.8-164.6-3.100111.3K64 F65 L71 K72K64-Q68 PolarHBondContact O-N 3.01Å; F65-Q68 WeakPolarHBondContact O-CB 3.43Å; F65-Q68 PolarHBondContact O-N 3.32Å; Q68-L71 PolarHBondContact O-N 2.79Å; Q68-K72 HydrophobicContact CG-CD 4.36Å; Q68-K72 VanDerWaalsContact NE2-CE 3.27Å; Q68-K72 VanDerWaalsContact NE2-NZ 3.11Å; Q68-K72 WeakPolarHBondContact O-CB 3.5Å; Q68-K72 WeakPolarHBondContact O-CG 3.34Å; Q68-K72 PolarHBondContact O-N 3.28Å
69Q85Confident83.3Confident60 Ų60109.2 Ų109.228%0.2853%0.534SS..Hα-helixtrans-64.1-40.6178.3-68.3-63.8-25.100112F65 R66 K72 R73F65-Q69 HydrophobicContact CD1-CG 3.98Å; F65-Q69 HydrophobicContact CE1-CG 3.68Å; F65-Q69 HydrophobicContact CE2-CG 4.47Å; F65-Q69 HydrophobicContact CG-CG 4.5Å; F65-Q69 HydrophobicContact CZ-CG 3.96Å; F65-Q69 VanDerWaalsContact O-CG 3.27Å; F65-Q69 WeakPolarHBondContact O-CG 3.27Å; F65-Q69 PolarHBondContact O-N 3.35Å; R66-Q69 PolarHBondContact O-N 2.92Å; Q69-K72 PolarHBondContact O-N 3.28Å; Q69-R73 WeakPolarHBondContact O-CG 3.5Å; Q69-R73 PolarHBondContact O-N 3.42Å
70F85.2Confident81.9Confident127 Ų127108.9 Ų108.956%0.55754%0.535SS*.Hα-helixtrans-60-50.1172.7176.7-101000111.1R66 R67 K72 R73 Q74R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 3.16Å; R67-F70 PolarHBondContact O-N 2.89Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 2.9Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.31Å; F70-R73 VanDerWaalsContact O-N 3.17Å; F70-Q74 HydrophobicContact CD1-CG 4.12Å; F70-Q74 HydrophobicContact CD2-CG 4.46Å; F70-Q74 HydrophobicContact CE1-CG 3.73Å; F70-Q74 HydrophobicContact CE2-CG 4.11Å; F70-Q74 HydrophobicContact CG-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 3.73Å; F70-Q74 WeakPolarHBondContact O-CG 3.25Å; F70-Q74 PolarHBondContact O-N 2.83Å
71L86.5Confident80.2Confident97 Ų97111.3 Ų111.351%0.50854%0.542SS..Hα-helixtrans-63-39179.2-170.960.8000112.3R67 Q68 R73 Q74 L75R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 PolarHBondContact O-N 3.46Å; Q68-L71 PolarHBondContact O-N 2.79Å; L71-R73 PolarHBondContact O-N 3.36Å; L71-Q74 PolarHBondContact O-N 3.39Å; L71-L75 HydrophobicContact CD1-CD1 4.17Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.05Å
72K83Confident78.3Confident71 Ų71112.5 Ų112.531%0.30954%0.544SS..Hα-helixtrans-58-44.8172.9-79176.9172.3-179.10111.9Q68 Q69 F70 L75 G76 I77Q68-K72 HydrophobicContact CG-CD 4.36Å; Q68-K72 VanDerWaalsContact NE2-CE 3.27Å; Q68-K72 VanDerWaalsContact NE2-NZ 3.11Å; Q68-K72 WeakPolarHBondContact O-CB 3.5Å; Q68-K72 WeakPolarHBondContact O-CG 3.34Å; Q68-K72 PolarHBondContact O-N 3.28Å; Q69-K72 PolarHBondContact O-N 3.28Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 2.9Å; K72-L75 PolarHBondContact O-N 2.69Å; K72-G76 PolarHBondContact O-N 3.41Å; K72-I77 HydrophobicContact CB-CB 4.23Å; K72-I77 HydrophobicContact CG-CB 4.46Å; K72-I77 CarbonylContact O-C 3.51Å; K72-I77 WeakPolarHBondContact O-CA 3.34Å; K72-I77 WeakPolarHBondContact O-CB 3.49Å; K72-I77 PolarHBondContact O-N 3.36Å
73R78.7Confident76.8Confident178 Ų178112.7 Ų112.767%0.67255%0.545SS*.Hα-helixtrans-64.6-43.9175.7-69.7174.6-176.7-165.90.8112.1Q69 F70 L71 L75 G76Q69-R73 WeakPolarHBondContact O-CG 3.5Å; Q69-R73 PolarHBondContact O-N 3.42Å; F70-R73 WeakPolarHBondContact O-CB 3.24Å; F70-R73 PolarHBondContact O-N 3.31Å; F70-R73 VanDerWaalsContact O-N 3.17Å; L71-R73 PolarHBondContact O-N 3.36Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.85Å; R73-G76 PolarHBondContact O-N 2.93Å; R73-G76 VanDerWaalsContact O-N 3.12Å
74Q80.3Confident75.4Confident133 Ų133114.3 Ų114.362%0.62154%0.543SS*.Hα-helixtrans-64.5-34.7178.3-66.5-62.389.900112.5F70 L71 G76F70-Q74 HydrophobicContact CD1-CG 4.12Å; F70-Q74 HydrophobicContact CD2-CG 4.46Å; F70-Q74 HydrophobicContact CE1-CG 3.73Å; F70-Q74 HydrophobicContact CE2-CG 4.11Å; F70-Q74 HydrophobicContact CG-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 3.73Å; F70-Q74 WeakPolarHBondContact O-CG 3.25Å; F70-Q74 PolarHBondContact O-N 2.83Å; L71-Q74 PolarHBondContact O-N 3.39Å; Q74-G76 PolarHBondContact O-N 2.9Å
75L79.9Confident74Confident117 Ų117110.4 Ų110.461%0.61353%0.534SS*.THydrogen-bonded Turntrans-81.32.5176.3-69.4169.3000113.5L71 K72 R73 I77L71-L75 HydrophobicContact CD1-CD1 4.17Å; L71-L75 HydrophobicContact CD1-CG 4.31Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.05Å; K72-L75 PolarHBondContact O-N 2.69Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.85Å; L75-I77 HydrophobicContact CB-CD1 4.27Å; L75-I77 HydrophobicContact CB-CG1 4.2Å; L75-I77 PolarHBondContact O-N 3.47Å
76G66.9Low72.7Confident52 Ų52110.7 Ų110.754%0.53654%0.537SS..THydrogen-bonded Turntrans72.89.5-178.700000114.3K72 R73 Q74 T78K72-G76 PolarHBondContact O-N 3.41Å; R73-G76 PolarHBondContact O-N 2.93Å; R73-G76 VanDerWaalsContact O-N 3.12Å; Q74-G76 PolarHBondContact O-N 2.9Å; G76-T78 PolarHBondContact O-N 2.92Å
77I63.5Low71.5Confident104 Ų104106.1 Ų106.153%0.53353%0.529SS..  trans-77.267169.6-50172.1000107.2K72 L75K72-I77 HydrophobicContact CB-CB 4.23Å; K72-I77 HydrophobicContact CG-CB 4.46Å; K72-I77 CarbonylContact O-C 3.51Å; K72-I77 WeakPolarHBondContact O-CA 3.34Å; K72-I77 WeakPolarHBondContact O-CB 3.49Å; K72-I77 PolarHBondContact O-N 3.36Å; L75-I77 HydrophobicContact CB-CD1 4.27Å; L75-I77 HydrophobicContact CB-CG1 4.2Å; L75-I77 PolarHBondContact O-N 3.47Å
78T63.3Low70.5Confident60 Ų60103 Ų10337%0.36852%0.52SS..  trans-92.2123174.3-56.80000107.3G76 I80 E81G76-T78 PolarHBondContact O-N 2.92Å; T78-I80 HydrophobicContact CG2-CB 3.98Å; T78-I80 HydrophobicContact CG2-CD1 4.29Å; T78-I80 HydrophobicContact CG2-CG1 4.23Å; T78-I80 PolarHBondContact O-N 3.49Å; T78-E81 PolarHBondContact O-N 3.38Å
79P58.8Low69.6Low107 Ų107104.7 Ų104.770%0.69553%0.528SS*.Hα-helixtrans-62.94.1-179.723.3-32.3000114.8
80I64Low68.7Low111 Ų111103.2 Ų103.257%0.56953%0.53SS*.Hα-helixtrans-102.5-23.4-174.9-61.3169.1000111.9T78 K84T78-I80 HydrophobicContact CG2-CB 3.98Å; T78-I80 HydrophobicContact CG2-CD1 4.29Å; T78-I80 HydrophobicContact CG2-CG1 4.23Å; T78-I80 PolarHBondContact O-N 3.49Å; I80-K84 WeakPolarHBondContact O-CB 3.18Å; I80-K84 PolarHBondContact O-N 2.86Å; I80-K84 VanDerWaalsContact O-N 3.09Å
81E61.1Low68Low115 Ų115102.6 Ų102.654%0.53753%0.532SS..Hα-helixtrans-74.9-32.2-175.8-155.761.2-151.500112T78 K84 S85T78-E81 PolarHBondContact O-N 3.38Å; E81-K84 IonicContact OE1-NZ 3.6Å; E81-S85 PolarHBondContact O-N 2.78Å; E81-S85 VanDerWaalsContact O-N 3.14Å
82E55.3Low67.2Low140 Ų140102.4 Ų102.465%0.65453%0.531SS*.Hα-helixtrans-67.2-49.7171.8-81175171.200111.7K84 S85 E86E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.34Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 3.38Å; E82-E86 WeakPolarHBondContact O-CB 3.16Å; E82-E86 WeakPolarHBondContact O-CG 3.33Å; E82-E86 PolarHBondContact O-N 2.84Å
83L61.3Low66.1Low105 Ų105102.6 Ų102.655%0.5554%0.538SS..Hα-helixtrans-58.3-37.4177.6-178.164.7000112.3V87L83-V87 HydrophobicContact CD1-CG2 3.92Å; L83-V87 HydrophobicContact CG-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CB 3.25Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 WeakPolarHBondContact O-CG2 3.25Å; L83-V87 PolarHBondContact O-N 3.45Å
84K62Low65.1Low107 Ų10798.6 Ų98.647%0.46553%0.53SS..Hα-helixtrans-69.1-38.7178-174.9-178.5169.1-1590111.8I80 E81 E82 K88I80-K84 WeakPolarHBondContact O-CB 3.18Å; I80-K84 PolarHBondContact O-N 2.86Å; I80-K84 VanDerWaalsContact O-N 3.09Å; E81-K84 IonicContact OE1-NZ 3.6Å; E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.34Å; K84-K88 HydrophobicContact CG-CD 4.36Å; K84-K88 VanDerWaalsContact O-CB 3.29Å; K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 WeakPolarHBondContact O-CD 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.31Å; K84-K88 PolarHBondContact O-N 2.81Å; K84-K88 VanDerWaalsContact O-N 3.11Å
85S64.2Low64Low60 Ų60102.5 Ų102.542%0.4254%0.539SS..Hα-helixtrans-71.5-41.8176830000111.8E81 E82 K88 Q89E81-S85 PolarHBondContact O-N 2.78Å; E81-S85 VanDerWaalsContact O-N 3.14Å; E82-S85 PolarHBondContact O-N 3.3Å; E82-S85 PolarHBondContact O-OG 3.38Å; S85-K88 PolarHBondContact O-N 3.15Å; S85-Q89 WeakPolarHBondContact O-CB 3.34Å; S85-Q89 PolarHBondContact O-N 2.93Å
86E62.2Low62.9Low116 Ų116102.3 Ų102.354%0.54254%0.543SS..Hα-helixtrans-70.1-35.8-179.9-71.6175.2-173.300112.4E82 G90E82-E86 WeakPolarHBondContact O-CB 3.16Å; E82-E86 WeakPolarHBondContact O-CG 3.33Å; E82-E86 PolarHBondContact O-N 2.84Å; E86-G90 WeakPolarHBondContact O-CA 3.38Å; E86-G90 PolarHBondContact O-N 3.23Å
87V64.8Low62.2Low89 Ų89102.2 Ų102.254%0.53953%0.533SS..Hα-helixtrans-72.6-38.7172.7171.80000111L83 L91L83-V87 HydrophobicContact CD1-CG2 3.92Å; L83-V87 HydrophobicContact CG-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CB 3.25Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 WeakPolarHBondContact O-CG2 3.25Å; L83-V87 PolarHBondContact O-N 3.45Å; V87-L91 WeakPolarHBondContact O-CB 3.46Å; V87-L91 PolarHBondContact O-N 3.42Å
88K66.5Low61.7Low121 Ų121102.7 Ų102.753%0.52654%0.537SS..Hα-helixtrans-63.7-48.5173.5-79.9172174.8-73.40111K84 S85 L91 D92K84-K88 HydrophobicContact CG-CD 4.36Å; K84-K88 VanDerWaalsContact O-CB 3.29Å; K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 WeakPolarHBondContact O-CD 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.31Å; K84-K88 PolarHBondContact O-N 2.81Å; K84-K88 VanDerWaalsContact O-N 3.11Å; S85-K88 PolarHBondContact O-N 3.15Å; K88-L91 PolarHBondContact O-N 2.98Å; K88-D92 VanDerWaalsContact O-CB 3.32Å; K88-D92 WeakPolarHBondContact O-CB 3.27Å; K88-D92 PolarHBondContact O-N 3.37Å
89Q69.3Low61.2Low128 Ų128102.9 Ų102.960%0.59855%0.545SS*.Hα-helixtrans-66.3-40.3178.1-170.5174.417.200111.5S85 D92 T93S85-Q89 WeakPolarHBondContact O-CB 3.34Å; S85-Q89 PolarHBondContact O-N 2.93Å; Q89-D92 PolarHBondContact O-N 2.92Å; Q89-T93 WeakPolarHBondContact O-CB 3.22Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 3.21Å
90G66.3Low60.6Low30 Ų30104.5 Ų104.531%0.30954%0.538SS..Hα-helixtrans-64.8-40.9174.300000112.3E86 T93 L94E86-G90 WeakPolarHBondContact O-CA 3.38Å; E86-G90 PolarHBondContact O-N 3.23Å; G90-T93 PolarHBondContact O-N 2.93Å; G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 WeakPolarHBondContact O-CG 3.47Å; G90-L94 PolarHBondContact O-N 2.99Å
91L69.8Low60.1Low114 Ų114104.6 Ų104.660%0.59754%0.539SS*.Hα-helixtrans-65.8-42.9173.8-177.863000111.6V87 K88 L94 R95V87-L91 WeakPolarHBondContact O-CB 3.46Å; V87-L91 PolarHBondContact O-N 3.42Å; K88-L91 PolarHBondContact O-N 2.98Å; L91-L94 PolarHBondContact O-N 3.31Å; L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 2.8Å
92D69.7Low59.7Low92 Ų92107.1 Ų107.149%0.49255%0.549SS..Hα-helixtrans-67-38176.7-71.3-26.1000111.2K88 Q89 R95 T96K88-D92 VanDerWaalsContact O-CB 3.32Å; K88-D92 WeakPolarHBondContact O-CB 3.27Å; K88-D92 PolarHBondContact O-N 3.37Å; Q89-D92 PolarHBondContact O-N 2.92Å; D92-R95 PolarHBondContact O-N 3.34Å; D92-T96 WeakPolarHBondContact O-CB 3.08Å; D92-T96 VanDerWaalsContact O-CG2 3.31Å; D92-T96 WeakPolarHBondContact O-CG2 3.15Å; D92-T96 PolarHBondContact O-N 3.46Å; D92-T96 PolarHBondContact O-OG1 3.48Å
93T61.1Low59.6Low76 Ų76104.8 Ų104.847%0.46654%0.544SS..Hα-helixtrans-71.4-35.8177.1-55.50000111.5Q89 G90 R95 S97Q89-T93 WeakPolarHBondContact O-CB 3.22Å; Q89-T93 PolarHBondContact O-N 2.93Å; Q89-T93 PolarHBondContact O-OG1 3.21Å; G90-T93 PolarHBondContact O-N 2.93Å; T93-R95 VanDerWaalsContact C-N 3.35Å; T93-S97 WeakPolarHBondContact O-CB 3.49Å; T93-S97 PolarHBondContact O-N 3.13Å
94L56.2Low59.1Low94 Ų94101 Ų10149%0.49253%0.526SS..Hα-helixtrans-73.6-26.8172.6-70168.6000112.7G90 L91 Y100G90-L94 WeakPolarHBondContact O-CB 3.32Å; G90-L94 WeakPolarHBondContact O-CG 3.47Å; G90-L94 PolarHBondContact O-N 2.99Å; L91-L94 PolarHBondContact O-N 3.31Å; L94-Y100 HydrophobicContact CB-CD2 4.31Å; L94-Y100 HydrophobicContact CD2-CD2 3.73Å; L94-Y100 HydrophobicContact CD2-CE2 4.09Å; L94-Y100 VanDerWaalsContact O-CB 3.27Å; L94-Y100 WeakPolarHBondContact O-CB 3.42Å
95R58.1Low58.7Low214 Ų21498.6 Ų98.681%0.80853%0.526SS*.Hα-helixtrans-78.3-28.7175.3-175.3179.8174.41131112.8L91 D92 T93L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 2.8Å; D92-R95 PolarHBondContact O-N 3.34Å; T93-R95 VanDerWaalsContact C-N 3.35Å
96T57.2Low58.3Low114 Ų114101 Ų10170%0.69954%0.538SS*.Hα-helixtrans-105.3-15.4-176.255.70000114.1D92D92-T96 WeakPolarHBondContact O-CB 3.08Å; D92-T96 VanDerWaalsContact O-CG2 3.31Å; D92-T96 WeakPolarHBondContact O-CG2 3.15Å; D92-T96 PolarHBondContact O-N 3.46Å; D92-T96 PolarHBondContact O-OG1 3.48Å
97S51.4Low57.8Low49 Ų4999.5 Ų99.534%0.34354%0.537SS..  trans-82.4120.3176.6177.20000112.1T93 A99 Y100T93-S97 WeakPolarHBondContact O-CB 3.49Å; T93-S97 PolarHBondContact O-N 3.13Å; S97-A99 PolarHBondContact O-N 3.41Å; S97-A99 WeakPolarHBondContact OG-CB 3.23Å; S97-A99 PolarHBondContact OG-N 2.8Å; S97-Y100 PolarHBondContact O-N 2.94Å
98D54.1Low57.2Low115 Ų115101.3 Ų101.362%0.61554%0.537SS*.Hα-helixtrans-52.7-16170.1-86.1-36.1000114.1Y100 L101 K102D98-Y100 VanDerWaalsContact C-N 3.3Å; D98-Y100 PolarHBondContact O-N 3.18Å; D98-L101 PolarHBondContact O-N 2.89Å; D98-K102 PolarHBondContact O-N 3.34Å
99A51.4Low56.7Low64 Ų64101 Ų10153%0.52955%0.546SS..Hα-helixtrans-68-26.9175.300000113.1S97 T103S97-A99 PolarHBondContact O-N 3.41Å; S97-A99 WeakPolarHBondContact OG-CB 3.23Å; S97-A99 PolarHBondContact OG-N 2.8Å; A99-T103 PolarHBondContact O-N 2.83Å; A99-T103 PolarHBondContact O-OG1 2.84Å
100Y45.9Very low55.8Low140 Ų14097.4 Ų97.455%0.54954%0.538SS..Hα-helixtrans-77.7-32.6174.4-150.6-101.7000111.7L94 S97 D98 S104L94-Y100 HydrophobicContact CB-CD2 4.31Å; L94-Y100 HydrophobicContact CD2-CD2 3.73Å; L94-Y100 HydrophobicContact CD2-CE2 4.09Å; L94-Y100 VanDerWaalsContact O-CB 3.27Å; L94-Y100 WeakPolarHBondContact O-CB 3.42Å; S97-Y100 PolarHBondContact O-N 2.94Å; D98-Y100 VanDerWaalsContact C-N 3.3Å; D98-Y100 PolarHBondContact O-N 3.18Å; Y100-S104 WeakPolarHBondContact O-CB 3.33Å; Y100-S104 PolarHBondContact O-N 3.16Å; Y100-S104 PolarHBondContact O-OG 3.36Å
101L54.1Low55.2Low114 Ų114102 Ų10260%0.59755%0.549SS*.Hα-helixtrans-64.5-43.5176.7-83163000111.8D98 S104 A105D98-L101 PolarHBondContact O-N 2.89Å; L101-S104 PolarHBondContact O-OG 3.45Å; L101-A105 PolarHBondContact O-N 3.07Å
102K53Low54.5Low168 Ų168102.4 Ų102.473%0.7355%0.553SS**Hα-helixtrans-72.8-32.9-178.8-65.5-176.9-178.5-175.30113.5D98D98-K102 PolarHBondContact O-N 3.34Å
103T52.7Low53.8Low91 Ų91106.2 Ų106.256%0.55857%0.565SS**Hα-helixtrans-83.2-27.3176-53.60000112.1A99 A105 V106 V107A99-T103 PolarHBondContact O-N 2.83Å; A99-T103 PolarHBondContact O-OG1 2.84Å; T103-A105 PolarHBondContact O-N 3.03Å; T103-V106 PolarHBondContact O-N 3Å; T103-V107 PolarHBondContact O-N 3Å; T103-V107 VanDerWaalsContact O-N 3.13Å
104S50.6Low53.6Low24 Ų24107.2 Ų107.217%0.16857%0.571CS.*Hα-helixtrans-66-23.7173.379.50000113.4Y100 L101 V106 K108Y100-S104 WeakPolarHBondContact O-CB 3.33Å; Y100-S104 PolarHBondContact O-N 3.16Å; Y100-S104 PolarHBondContact O-OG 3.36Å; L101-S104 PolarHBondContact O-OG 3.45Å; S104-V106 VanDerWaalsContact C-N 3.34Å; S104-K108 WeakPolarHBondContact O-CB 3.28Å; S104-K108 WeakPolarHBondContact O-CD 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.49Å; S104-K108 PolarHBondContact O-N 2.94Å
105A54.5Low53.6Low57 Ų57105 Ų10547%0.47156%0.563SS.*Hα-helixtrans-66.6-36.2177.100000112.1L101 T103 T109L101-A105 PolarHBondContact O-N 3.07Å; T103-A105 PolarHBondContact O-N 3.03Å; A105-T109 PolarHBondContact O-OG1 3.27Å
106V54.6Low53.8Low112 Ų11297.2 Ų97.268%0.67954%0.544SS*.Hα-helixtrans-84.5-33.6178.3-177.40000111.4T103 S104T103-V106 PolarHBondContact O-N 3Å; S104-V106 VanDerWaalsContact C-N 3.34Å
107V52.9Low54.2Low84 Ų8496.4 Ų96.451%0.50954%0.539SS..Hα-helixtrans-71.9-34.1173.7170.50000112.1T103 T109 A110 K111T103-V107 PolarHBondContact O-N 3Å; T103-V107 VanDerWaalsContact O-N 3.13Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.96Å; V107-A110 PolarHBondContact O-N 3.24Å; V107-K111 WeakPolarHBondContact O-CB 3.5Å; V107-K111 PolarHBondContact O-N 3.19Å
108K52.7Low55.2Low126 Ų126100.8 Ų100.855%0.54855%0.552SS.*Hα-helixtrans-62.4-39175.8-82.9172.3179.5-179.30112S104 A110 K111S104-K108 WeakPolarHBondContact O-CB 3.28Å; S104-K108 WeakPolarHBondContact O-CD 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.49Å; S104-K108 PolarHBondContact O-N 2.94Å; K108-A110 VanDerWaalsContact C-N 3.31Å; K108-A110 PolarHBondContact O-N 2.97Å; K108-K111 PolarHBondContact O-N 2.82Å
109T55Low56Low114 Ų114100 Ų10070%0.69955%0.547SS*.Hα-helixtrans-70.9-24.4178.1-510000113.3A105 V107A105-T109 PolarHBondContact O-OG1 3.27Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 2.96Å
110A51.4Low57.2Low54 Ų54102.5 Ų102.545%0.44655%0.548SS..Hα-helixtrans-92.6-26.5174.500000113.6V107 K108 D112 T114V107-A110 PolarHBondContact O-N 3.24Å; K108-A110 VanDerWaalsContact C-N 3.31Å; K108-A110 PolarHBondContact O-N 2.97Å; A110-D112 VanDerWaalsContact C-N 3.34Å; A110-D112 PolarHBondContact O-N 3.24Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.9Å
111K52.4Low58.8Low125 Ų125103 Ų10354%0.54355%0.553SS.*Hα-helixtrans-60.9-41.1-180179.6174.2175.1174.40111.7V107 K108 K113 S115V107-K111 WeakPolarHBondContact O-CB 3.5Å; V107-K111 PolarHBondContact O-N 3.19Å; K108-K111 PolarHBondContact O-N 2.82Å; K111-K113 PolarHBondContact O-N 3.37Å; K111-K113 VanDerWaalsContact O-N 3.17Å; K111-S115 VanDerWaalsContact O-CB 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.45Å; K111-S115 PolarHBondContact O-N 3.2Å; K111-S115 PolarHBondContact O-OG 3.43Å
112D55.9Low60Low124 Ų124104.2 Ų104.266%0.66355%0.549SS*.Hα-helixtrans-72.5-12-171.2-64.3-19.2000114.5A110A110-D112 VanDerWaalsContact C-N 3.34Å; A110-D112 PolarHBondContact O-N 3.24Å
113K54.5Low61.2Low172 Ų17299.1 Ų99.175%0.74853%0.53SS*.Hα-helixtrans-112.4-29175.6-65.4-175.7-179.8-178.30113.4K111 V117K111-K113 PolarHBondContact O-N 3.37Å; K111-K113 VanDerWaalsContact O-N 3.17Å; K113-V117 WeakPolarHBondContact O-CG2 3.37Å
114T56.4Low62.3Low97 Ų97100.2 Ų100.260%0.59553%0.532SS*.Hα-helixtrans-92.2-28.1-177.4-520000112.8A110 V117 F118A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.9Å; T114-V117 PolarHBondContact O-N 3.02Å; T114-F118 PolarHBondContact O-N 3.09Å; T114-F118 VanDerWaalsContact O-N 3.16Å
115S57.1Low63.4Low47 Ų47102.3 Ų102.333%0.32954%0.541SS..Hα-helixtrans-71-34.7178.172.80000112.7K111 F118 I119K111-S115 VanDerWaalsContact O-CB 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.45Å; K111-S115 PolarHBondContact O-N 3.2Å; K111-S115 PolarHBondContact O-OG 3.43Å; S115-F118 PolarHBondContact O-N 3.12Å; S115-I119 WeakPolarHBondContact O-CB 3.44Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.4Å; S115-I119 PolarHBondContact O-N 2.93Å
116A61.5Low64Low50 Ų50107 Ų10741%0.41355%0.546SS..Hα-helixtrans-62.1-44.8175.300000111F118 I119 E120A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.04Å; A116-I119 PolarHBondContact O-N 2.9Å; A116-E120 WeakPolarHBondContact O-CB 3.15Å; A116-E120 VanDerWaalsContact O-CG 3.25Å; A116-E120 WeakPolarHBondContact O-CG 3.02Å; A116-E120 PolarHBondContact O-N 3.18Å
117V66.1Low64.7Low97 Ų97108.2 Ų108.259%0.58855%0.545SS*.Hα-helixtrans-64.1-38.2177.81800000111.7K113 T114 K121K113-V117 WeakPolarHBondContact O-CG2 3.37Å; T114-V117 PolarHBondContact O-N 3.02Å; V117-K121 WeakPolarHBondContact O-CB 2.99Å; V117-K121 PolarHBondContact O-N 2.82Å
118F71.4Confident65.3Low141 Ų141106.7 Ų106.762%0.61854%0.536SS*.Hα-helixtrans-67.7-44.5176-175.3-97.7000112.2T114 S115 A116 K121 W122T114-F118 PolarHBondContact O-N 3.09Å; T114-F118 VanDerWaalsContact O-N 3.16Å; S115-F118 PolarHBondContact O-N 3.12Å; A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.04Å; F118-K121 PolarHBondContact O-N 3.46Å; F118-W122 VanDerWaalsContact O-CB 3.25Å; F118-W122 WeakPolarHBondContact O-CB 3.36Å; F118-W122 PolarHBondContact O-N 3.45Å
119I71.8Confident65.6Low99 Ų99105.2 Ų105.251%0.50854%0.542SS..Hα-helixtrans-65.1-46.2178.2-68.1165.4000110.3S115 A116 W122 N123S115-I119 WeakPolarHBondContact O-CB 3.44Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.4Å; S115-I119 PolarHBondContact O-N 2.93Å; A116-I119 PolarHBondContact O-N 2.9Å; I119-W122 PolarHBondContact O-N 3.36Å; I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 3.43Å
120E76.1Confident65.9Low116 Ų116104.5 Ų104.554%0.54254%0.537SS..Hα-helixtrans-59.5-48.6176-73.2-59.4151.700110.8A116 W122 N123 L124A116-E120 WeakPolarHBondContact O-CB 3.15Å; A116-E120 VanDerWaalsContact O-CG 3.25Å; A116-E120 WeakPolarHBondContact O-CG 3.02Å; A116-E120 PolarHBondContact O-N 3.18Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 3.01Å; E120-N123 PolarHBondContact O-N 3.25Å; E120-N123 VanDerWaalsContact O-N 3.15Å; E120-L124 WeakPolarHBondContact O-CB 3.43Å; E120-L124 VanDerWaalsContact O-CD1 3.31Å; E120-L124 WeakPolarHBondContact O-CD1 3.48Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.26Å; E120-L124 PolarHBondContact O-N 2.91Å
121K80.2Confident66.1Low151 Ų151107 Ų10766%0.65754%0.536SS*.Hα-helixtrans-62.4-38.4178.2-168.5173.2-177.2-171.20112.3V117 F118 L125V117-K121 WeakPolarHBondContact O-CB 2.99Å; V117-K121 PolarHBondContact O-N 2.82Å; F118-K121 PolarHBondContact O-N 3.46Å; K121-L125 WeakPolarHBondContact O-CB 3.45Å; K121-L125 PolarHBondContact O-N 3.34Å
122W79.3Confident66.4Low139 Ų139106.5 Ų106.553%0.52753%0.534SS..Hα-helixtrans-67.2-38174.4-175.9-97000112.4F118 I119 E120 L125 R126F118-W122 VanDerWaalsContact O-CB 3.25Å; F118-W122 WeakPolarHBondContact O-CB 3.36Å; F118-W122 PolarHBondContact O-N 3.45Å; I119-W122 PolarHBondContact O-N 3.36Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 3.01Å; W122-L125 WeakPolarHBondContact O-CB 3.34Å; W122-L125 PolarHBondContact O-N 2.77Å; W122-R126 PolarHBondContact O-N 2.94Å
123N78Confident66.5Low61 Ų61104 Ų10433%0.32653%0.526SS..Hα-helixtrans-71.9-41.5178.5-138.91.6000111.5I119 E120 L125 R126 Q127I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 3.43Å; E120-N123 PolarHBondContact O-N 3.25Å; E120-N123 VanDerWaalsContact O-N 3.15Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 2.86Å; N123-R126 PolarHBondContact O-N 3.49Å; N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.44Å; N123-Q127 PolarHBondContact O-N 2.93Å
124L75.6Confident66.5Low114 Ų114101.5 Ų101.560%0.59752%0.52SS*.Hα-helixtrans-57.3-41.4169.9-77.9154.1000111.2E120 Q127 T128E120-L124 WeakPolarHBondContact O-CB 3.43Å; E120-L124 VanDerWaalsContact O-CD1 3.31Å; E120-L124 WeakPolarHBondContact O-CD1 3.48Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.26Å; E120-L124 PolarHBondContact O-N 2.91Å; L124-Q127 PolarHBondContact O-N 3.16Å; L124-T128 PolarHBondContact O-N 3.05Å
125L73.7Confident66.7Low68 Ų68101.4 Ų101.436%0.35651%0.513SS..Hα-helixtrans-65.4-43.5176.8-153.690.1000111.6K121 W122 N123 Q127 T128 Y131K121-L125 WeakPolarHBondContact O-CB 3.45Å; K121-L125 PolarHBondContact O-N 3.34Å; W122-L125 WeakPolarHBondContact O-CB 3.34Å; W122-L125 PolarHBondContact O-N 2.77Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 2.86Å; L125-Q127 PolarHBondContact O-N 3.41Å; L125-T128 WeakPolarHBondContact O-CG2 3.41Å; L125-T128 PolarHBondContact O-N 3.33Å; L125-Y131 HydrophobicContact CD1-CE2 4.44Å; L125-Y131 HydrophobicContact CD2-CE2 3.49Å; L125-Y131 VanDerWaalsContact CD2-CE2 3.49Å; L125-Y131 WeakPolarHBondContact CD2-OH 3.48Å; L125-Y131 HydrophobicContact CG-CD2 4.23Å; L125-Y131 HydrophobicContact CG-CE2 3.48Å; L125-Y131 VanDerWaalsContact CG-CE2 3.48Å; L125-Y131 WeakPolarHBondContact O-CD2 3.12Å
126R68.5Low66.7Low155 Ų155104.5 Ų104.559%0.58553%0.525SS*.Hα-helixtrans-65.3-25.9174.4-83.6-153.6-71.4-158.3-3.5114W122 N123W122-R126 PolarHBondContact O-N 2.94Å; N123-R126 PolarHBondContact O-N 3.49Å
127Q67.9Low66.7Low139 Ų139109.9 Ų109.965%0.6554%0.54SS*.Hα-helixtrans-89.1-10.9177.9-69.5-179.14400113.2N123 L124 L125N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.44Å; N123-Q127 PolarHBondContact O-N 2.93Å; L124-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 PolarHBondContact O-N 3.41Å
128T67.1Low66.4Low52 Ų52109.5 Ų109.532%0.31954%0.537SS..SBendtrans-69.2143.1178.8-164.90000111L124 L125 T130 Y131L124-T128 PolarHBondContact O-N 3.05Å; L125-T128 WeakPolarHBondContact O-CG2 3.41Å; L125-T128 PolarHBondContact O-N 3.33Å; T128-T130 PolarHBondContact O-N 3.46Å; T128-Y131 HydrophobicContact CG2-CD2 3.76Å; T128-Y131 HydrophobicContact CG2-CE2 4.39Å; T128-Y131 PolarHBondContact O-N 3.28Å
129S58.4Low65.7Low95 Ų95104.9 Ų104.966%0.66453%0.529SS*.Hα-helixtrans-54.8-20.4-179.749.40000113.3S133S129-S133 WeakPolarHBondContact O-CB 3.21Å; S129-S133 PolarHBondContact O-N 2.98Å
130T60.2Low65Low98 Ų98103.1 Ų103.160%0.60153%0.526SS*.Hα-helixtrans-66.3-37.8175.2-41.50000113.3T128T128-T130 PolarHBondContact O-N 3.46Å
131Y57.2Low63.9Low107 Ų107100.2 Ų100.242%0.4252%0.522SS..Hα-helixtrans-80.7-34177.4-80.1-95.3000111.9L125 T128 S133 L134 E135L125-Y131 HydrophobicContact CD1-CE2 4.44Å; L125-Y131 HydrophobicContact CD2-CE2 3.49Å; L125-Y131 VanDerWaalsContact CD2-CE2 3.49Å; L125-Y131 WeakPolarHBondContact CD2-OH 3.48Å; L125-Y131 HydrophobicContact CG-CD2 4.23Å; L125-Y131 HydrophobicContact CG-CE2 3.48Å; L125-Y131 VanDerWaalsContact CG-CE2 3.48Å; L125-Y131 WeakPolarHBondContact O-CD2 3.12Å; T128-Y131 HydrophobicContact CG2-CD2 3.76Å; T128-Y131 HydrophobicContact CG2-CE2 4.39Å; T128-Y131 PolarHBondContact O-N 3.28Å; Y131-S133 VanDerWaalsContact C-N 3.3Å; Y131-S133 PolarHBondContact O-N 3.31Å; Y131-L134 PolarHBondContact O-N 3.42Å; Y131-E135 PolarHBondContact O-N 3.35Å
132K57.9Low62.5Low115 Ų11596.9 Ų96.950%0.552%0.516SS..Hα-helixtrans-64.3-31.4171.4-68.1-137.2170.8-152.80113.6L134 E135 N136K132-L134 VanDerWaalsContact C-N 3.34Å; K132-E135 WeakPolarHBondContact CA-OE1 3.36Å; K132-E135 VanDerWaalsContact CD-OE1 3.27Å; K132-E135 WeakPolarHBondContact CD-OE1 3.36Å; K132-E135 VanDerWaalsContact CG-OE1 3.22Å; K132-E135 WeakPolarHBondContact CG-OE1 3.33Å; K132-E135 IonicContact NZ-OE1 3.94Å; K132-E135 WeakPolarHBondContact O-CG 3.41Å; K132-N136 WeakPolarHBondContact O-CB 3.4Å; K132-N136 PolarHBondContact O-N 2.9Å; K132-N136 VanDerWaalsContact O-N 3.12Å; K132-N136 PolarHBondContact O-ND2 3.43Å; K132-N136 VanDerWaalsContact O-ND2 3.09Å
133S57.2Low61.3Low72 Ų7298 Ų9850%0.50352%0.522SS..Hα-helixtrans-70.2-33175.7-1700000112.3S129 Y131 K137S129-S133 WeakPolarHBondContact O-CB 3.21Å; S129-S133 PolarHBondContact O-N 2.98Å; Y131-S133 VanDerWaalsContact C-N 3.3Å; Y131-S133 PolarHBondContact O-N 3.31Å; S133-K137 PolarHBondContact O-N 3.04Å
134L55.6Low60.3Low118 Ų11899.7 Ų99.762%0.61853%0.531SS*.Hα-helixtrans-74.6-41.2174.6-165.979.9000111.7Y131 K132 N136 K137 V138Y131-L134 PolarHBondContact O-N 3.42Å; K132-L134 VanDerWaalsContact C-N 3.34Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.99Å; L134-K137 PolarHBondContact O-N 3.31Å; L134-V138 PolarHBondContact O-N 3.23Å
135E61.1Low59.3Low95 Ų9599.8 Ų99.844%0.44454%0.536SS..Hα-helixtrans-63.6-3817892-166.6158.800111.7Y131 K132 K137 G139Y131-E135 PolarHBondContact O-N 3.35Å; K132-E135 WeakPolarHBondContact CA-OE1 3.36Å; K132-E135 VanDerWaalsContact CD-OE1 3.27Å; K132-E135 WeakPolarHBondContact CD-OE1 3.36Å; K132-E135 VanDerWaalsContact CG-OE1 3.22Å; K132-E135 WeakPolarHBondContact CG-OE1 3.33Å; K132-E135 IonicContact NZ-OE1 3.94Å; K132-E135 WeakPolarHBondContact O-CG 3.41Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.89Å; E135-G139 WeakPolarHBondContact O-CA 3.31Å; E135-G139 PolarHBondContact O-N 3.03Å
136N56.4Low58.1Low112 Ų112106.9 Ų106.960%0.59956%0.559SS**Hα-helixtrans-72-24.5177.2-70.5-26.2000113.2K132 L134K132-N136 WeakPolarHBondContact O-CB 3.4Å; K132-N136 PolarHBondContact O-N 2.9Å; K132-N136 VanDerWaalsContact O-N 3.12Å; K132-N136 PolarHBondContact O-ND2 3.43Å; K132-N136 VanDerWaalsContact O-ND2 3.09Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.99Å
137K60.9Low57.4Low164 Ų164102.9 Ų102.971%0.71357%0.567SS**Hα-helixtrans-86.7-32.4175.1-99.7170.8173.7-86.50113.2S133 L134 E135S133-K137 PolarHBondContact O-N 3.04Å; L134-K137 PolarHBondContact O-N 3.31Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 2.89Å
138V60.8Low56.3Low89 Ų89105.5 Ų105.554%0.53958%0.576SS.*Hα-helixtrans-86.3-32.9177.891.70000111.6L134 C142L134-V138 PolarHBondContact O-N 3.23Å; V138-C142 PolarHBondContact O-N 3.22Å; V138-C142 PolarHBondContact O-SG 3.11Å
139G56.8Low55.4Low43 Ų43110.6 Ų110.644%0.44360%0.6SS.*Hα-helixtrans-71.7-30.9179.100000114.4E135E135-G139 WeakPolarHBondContact O-CA 3.31Å; E135-G139 PolarHBondContact O-N 3.03Å
140S55.4Low54.9Low62 Ų62112.7 Ų112.743%0.43461%0.609SS.*Hα-helixtrans-82.1-20.2177.488.50000113.6Y143 N144S140-Y143 WeakPolarHBondContact O-CD1 3.47Å; S140-Y143 WeakPolarHBondContact O-CE1 3.35Å; S140-N144 PolarHBondContact O-ND2 3.37Å; S140-N144 VanDerWaalsContact O-ND2 3.13Å
141A53.5Low54.4Low56 Ų56116.8 Ų116.846%0.46361%0.614SS.*Hα-helixtrans-82.3-31.5175.900000112.2Y143A141-Y143 PolarHBondContact O-N 3.46Å
142C51.8Low53.9Low80 Ų80118 Ų11854%0.54164%0.635SS.*Hα-helixtrans-73-23.8-177.5-69.10000114.8V138V138-C142 PolarHBondContact O-N 3.22Å; V138-C142 PolarHBondContact O-SG 3.11Å
143Y53.7Low53.6Low163 Ų163119.2 Ų119.264%0.63964%0.64SS**THydrogen-bonded Turntrans-86.9-11.6-177.584.3-91.3000114.5S140 A141S140-Y143 WeakPolarHBondContact O-CD1 3.47Å; S140-Y143 WeakPolarHBondContact O-CE1 3.35Å; A141-Y143 PolarHBondContact O-N 3.46Å
144N56.6Low53Low97 Ų97121.8 Ų121.852%0.51965%0.653SS.*SBendtrans-95.9-0.8-175.9-72.5-45.7000114.5S140S140-N144 PolarHBondContact O-ND2 3.37Å; S140-N144 VanDerWaalsContact O-ND2 3.13Å
145V54.1Low52.5Low116 Ų116124.7 Ų124.770%0.70367%0.668SS**SBendtrans-105.8-20.7-175.2-175.10000113.1
146Y49.2Very low51.5Low216 Ų216125.4 Ų125.485%0.84768%0.684SS**THydrogen-bonded Turntrans-89.3-2.1-178.4-77.6-82.4000115.3
147G53.4Low50.8Low72 Ų72125.7 Ų125.774%0.74269%0.694SS**THydrogen-bonded Turntrans-97.8-0.3-175.900000116.5
148K45.8Very low50Low193 Ų193121.4 Ų121.484%0.83970%0.697SS**SBendtrans-11953.1-176.3-68.4-175.6178.2178.10112
149L48.2Very low49.1Very low159 Ų159123.1 Ų123.183%0.83271%0.708SS**  trans-15657.5173.8-161.868.9000112.3
150T48.2Very low48.3Very low139 Ų139128.4 Ų128.485%0.85372%0.721SS**  trans-155.780.2164.9-51.10000111.2
151R49.7Very low47.6Very low184 Ų184132.7 Ų132.769%0.69473%0.734SS**  trans179114.7138.6-122.2171.2166.5-140.613111.8K153R151-K153 VanDerWaalsContact NH2-NZ 3.14Å
152P45.9Very low47Very low133 Ų133136.3 Ų136.386%0.86474%0.744SS**  trans-88115151.429.9-20.5000108
153K51.7Low46.5Very low140 Ų140136.6 Ų136.661%0.60975%0.747SS**  trans-128.6106.8159.5-81.5-154.2177-174.80108.9R151R151-K153 VanDerWaalsContact NH2-NZ 3.14Å
154T45.4Very low45.6Very low126 Ų126136.3 Ų136.377%0.77376%0.756SS**  trans17.8111.2140.559.20000116.8
155L44.7Very low44.9Very low180 Ų180137.2 Ų137.294%0.94277%0.77SS**  trans27.998.4130.4-151.277.7000115.9
156S40.5Very low44.1Very low110 Ų110139.8 Ų139.877%0.76978%0.775SS**  trans-174129.8137.1-171.50000109.9
157S40.3Very low43.7Very low117 Ų117139.6 Ų139.682%0.81878%0.778SS**  trans-38.7150.116956.50000115.2
158G44.7Very low43Very low75 Ų75143.9 Ų143.977%0.77378%0.779SS**  trans147.993.1159.500000112.6
159T41.6Very low42.8Very low124 Ų124142.8 Ų142.876%0.76178%0.782SS**  trans-49.3153.3166.5260000114.1
160E40.6Very low42.2Very low155 Ų155141.4 Ų141.472%0.72478%0.781SS**  trans90.9116.1146.6-71165.4-137.600121.5
161H41.1Very low41.8Very low151 Ų151141.2 Ų141.270%0.69978%0.779SS**  95.3110.9120.5-83.5-128.2000121.9
162I40.5Very low41.3Very low133 Ų133138.2 Ų138.268%0.68278%0.782SS**  trans68.9129131-37.1169000120.5
163S39.7Very low41.2Very low86 Ų86138.3 Ų138.360%0.60178%0.78SS**  trans94.2114.5133.527.90000121.1
164N35.5Very low41.1Very low157 Ų157137.5 Ų137.584%0.8479%0.787SS**  58.4115.1122.6-53.2-7.9000118.4
165S42.9Very low40.9Very low115 Ų115139.3 Ų139.380%0.80479%0.79SS**  -178.1136.4104.863.20000111.1
166E36.1Very low40.9Very low171 Ų171135.4 Ų135.480%0.79978%0.784SS**  trans-43.9141.5168.6-67.5158.2115.400113.7
167K41.3Very low40.8Very low212 Ų212136.3 Ų136.392%0.92279%0.785SS**  -160.5123.4129.2-104.9159.4-169.5-179.40110.7
168Q39.4Very low41.3Very low162 Ų162135.3 Ų135.376%0.75778%0.784SS**  trans-54.7143.7175.3-56.5165.115.600110.2
169N40.3Very low41.4Very low170 Ų170139 Ų13991%0.90979%0.786SS**  trans-162.4106.7145.7-91.1-19.7000110.8
170T35.9Very low41.5Very low130 Ų130141 Ų14180%0.79879%0.79SS**  trans-61.1130.9170.4-23.60000110.6
171T39.9Very low42Very low134 Ų134139 Ų13982%0.82279%0.788SS**  trans-153.1113.7152-58.40000111.6
172T39.1Very low42Very low122 Ų122138.1 Ų138.175%0.74879%0.794SS**  trans-39.6134.6164.2-50.70000114.1
173T44Very low42.7Very low134 Ų134141 Ų14182%0.82280%0.801SS**  trans-111.7118.5165.4-57.10000109.4
174T50Low42.5Very low124 Ų124142.2 Ų142.276%0.76181%0.81SS**  trans-76.7138.9172.230.20000110.8
175I40.9Very low42.8Very low163 Ų163140.7 Ų140.784%0.83681%0.811SS**  trans-90.9125.8174-60.1169.4000107.5
176A44.7Very low42.7Very low99 Ų99142.8 Ų142.882%0.81881%0.813SS**  trans-110.3120.6172.200000110.1
177T39.1Very low43.1Very low128 Ų128143.2 Ų143.279%0.78582%0.82SS**  trans-81.1137.4172.3-550000109.2
178A49.3Very low42.8Very low97 Ų97135.9 Ų135.980%0.80280%0.804SS**  trans-105.2132.8176.500000111.6
179D48Very low43.1Very low152 Ų152134.4 Ų134.481%0.81381%0.806SS**  trans-76.5151.2-174.7-71.4-48.5000114.8
180I43.2Very low43.3Very low165 Ų165132.1 Ų132.185%0.84679%0.794SS**  trans-76.6119.3172.3-62.3166.3000109
181T50.7Low43.8Very low113 Ų113131.6 Ų131.669%0.69379%0.786SS**  trans-109.7114.7169.5-61.50000110.3K183T181-K183 HydrophobicContact CG2-CG 4.29Å
182T41.6Very low44.2Very low133 Ų133132.4 Ų132.482%0.81679%0.785SS**  trans-76.4132.3166.740.30000110.1
183K54.3Low44.2Very low193 Ų193131.9 Ų131.984%0.83979%0.787SS**  trans-128.2122.5165.4-70.4-168.8179.1-174.60109.7T181T181-K183 HydrophobicContact CG2-CG 4.29Å
184S36.6Very low44.3Very low112 Ų112131.5 Ų131.578%0.78378%0.784SS**  trans-82.1145.6170.753.70000110.7
185C42.1Very low43.9Very low126 Ų126130.5 Ų130.585%0.85178%0.78SS**  trans-137.8114.6160.4-58.20000108.2
186N40.9Very low43.6Very low159 Ų159131.9 Ų131.985%0.8578%0.783SS**  trans-84.8132.8163-72.1-30.9000108
187L43.3Very low43.5Very low180 Ų180132.6 Ų132.694%0.94278%0.782SS**  trans-138.7117.1156.1-146.173.5000108
188G35.8Very low43.6Very low57 Ų57133.2 Ų133.259%0.58879%0.785SS**  trans-98.1176.1-174.300000113.8
189T45.7Very low43.2Very low132 Ų132133.9 Ų133.981%0.8178%0.784SS**  trans73.2137.816174.20000114.6
190N43.5Very low43Very low122 Ų122132.6 Ų132.665%0.65278%0.781SS**  cis-176.3170.9-0.745.69.9000107.1
191N47.8Very low42.9Very low119 Ų119132 Ų13264%0.63678%0.778SS**  trans97.397.4158.3-45-27.1000117.4
192N46.9Very low42.2Very low150 Ų150131.2 Ų131.280%0.80278%0.777SS**  63.4102.2122.3-56.8-11.4000119
193S41Very low42Very low111 Ų111129.8 Ų129.878%0.77677%0.773SS**  44.1106125.7-163.40000118.5
194V44.5Very low41Very low127 Ų127126 Ų12677%0.7777%0.77SS**  trans35.1134.8131.5-179.40000116.9
195P41.6Very low41.2Very low102 Ų102125.4 Ų125.466%0.66277%0.767SS**  cis-145.9174.432.520.28.1000117.4
196Q34.2Very low41Very low192 Ų192125.1 Ų125.190%0.89777%0.766SS**  trans27.4108.7138.2-55.2176-6.600118.8
197S42.8Very low41Very low114 Ų114127.1 Ų127.180%0.79777%0.767SS**  trans-163.1127.5142.254.90000109.9
198V41.4Very low40.9Very low142 Ų142124.3 Ų124.386%0.86175%0.753SS**  trans-54.7137.9174.1-67.40000112.1
199S42.2Very low41.1Very low110 Ų110126.9 Ų126.977%0.76976%0.76SS**  trans-130.499.3157.651.70000109I201S199-I201 PolarHBondContact O-N 2.88Å
200V43.5Very low40.7Very low126 Ų126127.2 Ų127.276%0.76476%0.756SS**  trans-62.4117.9160.9-750000108.1S202V200-S202 PolarHBondContact O-N 2.91Å
201I40.2Very low40.6Very low151 Ų151128.5 Ų128.577%0.77476%0.763SS**  trans-94.288.4161-61.1178.6000106.1S199 S203S199-I201 PolarHBondContact O-N 2.88Å; I201-S203 PolarHBondContact O-N 3.14Å
202S35.9Very low40.1Very low98 Ų98128.2 Ų128.269%0.68577%0.771SS**  trans-70.796.9161.1-59.60000108.1V200 S204V200-S202 PolarHBondContact O-N 2.91Å; S202-S204 PolarHBondContact O-N 3.13Å
203S37.3Very low40Very low102 Ų102129.9 Ų129.971%0.71377%0.771SS**  trans-97.175.8162.4-670000108.5I201 S205I201-S203 PolarHBondContact O-N 3.14Å; S203-S205 PolarHBondContact O-N 2.87Å
204S33.6Very low39.6Very low113 Ų113128.2 Ų128.279%0.7977%0.771SS**  trans-71.196.1161.551.30000108.5S202S202-S204 PolarHBondContact O-N 3.13Å
205S40.1Very low39.6Very low101 Ų101128.6 Ų128.671%0.70677%0.769SS**  trans-109.793.7157.561.80000108S203 F207S203-S205 PolarHBondContact O-N 2.87Å; S205-F207 PolarHBondContact O-N 3.44Å; S205-F207 VanDerWaalsContact O-N 3.11Å
206S39.2Very low39.5Very low120 Ų120129.9 Ų129.984%0.83977%0.77SS**  trans-49107.7162.744.40000110.3
207F41.2Very low39.8Very low200 Ų200130 Ų13088%0.87776%0.764SS**  trans-103.5109162.9-135.6-91.4000108S205S205-F207 PolarHBondContact O-N 3.44Å; S205-F207 VanDerWaalsContact O-N 3.11Å
208N40.4Very low40.1Very low121 Ų121130.1 Ų130.165%0.64776%0.756SS**  trans-69.9122.6-179.6-177.4-2.1000109.9N210N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 3.25Å; N208-N210 VanDerWaalsContact O-N 3.16Å
209P39.1Very low40.3Very low111 Ų111131.7 Ų131.772%0.72175%0.754SS**  trans-91.566.1-178.237.4-31.8000109.4
210N39Very low40.8Very low139 Ų139133.2 Ų133.274%0.74375%0.753SS**  trans-158.381173.3-80.3-47.8000110.8N208N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 3.25Å; N208-N210 VanDerWaalsContact O-N 3.16Å
211N40.9Very low41.1Very low149 Ų149134 Ų13480%0.79775%0.753SS**  trans-146.8107.8148.8-159.12.7000110.5K213N211-K213 PolarHBondContact O-N 2.95Å
212S36.8Very low41.7Very low113 Ų113134.1 Ų134.179%0.7975%0.754SS**  trans-53.5111.4164.8174.70000110
213K44Very low42.2Very low185 Ų185137 Ų13780%0.80476%0.756SS**  trans-153.1118.5154-130.2158.6-175.1167.40108.7N211 N215N211-K213 PolarHBondContact O-N 2.95Å; K213-N215 PolarHBondContact O-N 3.37Å
214G34Very low42.7Very low76 Ų76138.6 Ų138.678%0.78476%0.755SS**  trans-53.2127.9-167.600000113.1N216G214-N216 PolarHBondContact O-N 3.48Å
215N43.4Very low43.3Very low135 Ų135138 Ų13872%0.72274%0.743SS**  trans-83.3104.6157.6-62.7-20.8000105.5K213 Y217K213-N215 PolarHBondContact O-N 3.37Å; N215-Y217 PolarHBondContact O-N 2.92Å
216N40.2Very low44.1Very low129 Ų129141.8 Ų141.869%0.6975%0.75SS**  trans-55.8113.9167.8-155.217.4000107.1G214 D218G214-N216 PolarHBondContact O-N 3.48Å; N216-D218 VanDerWaalsContact C-N 3.28Å; N216-D218 PolarHBondContact ND2-OD1 3.47Å; N216-D218 VanDerWaalsContact ND2-OD1 3.1Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.16Å
217Y40.5Very low44.9Very low195 Ų195143 Ų14377%0.76575%0.747SS**  trans-79.490.5165.7-66.3-70.5000105.5N215 E219N215-Y217 PolarHBondContact O-N 2.92Å; Y217-E219 PolarHBondContact O-N 3.16Å; Y217-E219 VanDerWaalsContact O-N 3.1Å
218D48.7Very low45.3Very low117 Ų117140 Ų14063%0.62674%0.74SS**  trans-68107.5165.2-68-43.7000106.4N216 D220N216-D218 VanDerWaalsContact C-N 3.28Å; N216-D218 PolarHBondContact ND2-OD1 3.47Å; N216-D218 VanDerWaalsContact ND2-OD1 3.1Å; N216-D218 PolarHBondContact O-N 2.78Å; N216-D218 VanDerWaalsContact O-N 3.16Å; D218-D220 PolarHBondContact O-N 3.36Å
219E46.7Very low45.6Very low175 Ų175139.1 Ų139.182%0.81874%0.743SS**  trans-63.685166.1-73.5-148.616300108.7Y217 N221Y217-E219 PolarHBondContact O-N 3.16Å; Y217-E219 VanDerWaalsContact O-N 3.1Å; E219-N221 PolarHBondContact O-N 2.93Å; E219-N221 VanDerWaalsContact O-N 3.11Å
220D53Low46.4Very low141 Ų141139.6 Ų139.675%0.75474%0.739SS**  trans-73.8101.6161.7-79.8-22.7000107.8D218 I222D218-D220 PolarHBondContact O-N 3.36Å; D220-I222 PolarHBondContact O-N 3.44Å
221N48.4Very low47Very low142 Ų142136.7 Ų136.776%0.75972%0.723SS**  trans-29.9101.2164.8-55.5-68.8000111.3E219 E223E219-N221 PolarHBondContact O-N 2.93Å; E219-N221 VanDerWaalsContact O-N 3.11Å; N221-E223 PolarHBondContact O-N 2.96Å
222I52.4Low47.6Very low155 Ų155136.2 Ų136.280%0.79571%0.714SS**  trans-78.191.6161.7-59.3176.1000104.8D220 I224D220-I222 PolarHBondContact O-N 3.44Å; I222-I224 PolarHBondContact O-N 2.96Å
223E47.2Very low48.3Very low159 Ų159136.6 Ų136.674%0.74371%0.707SS**  trans-50.9106.7162.6-80.3-179.5160.600107.5N221 N225N221-E223 PolarHBondContact O-N 2.96Å; E223-N225 PolarHBondContact O-N 3.33Å
224I47.2Very low49Very low135 Ų135134.9 Ų134.969%0.69270%0.7SS**  trans-69.395.5167.1-55.8173.5000104I222 E226I222-I224 PolarHBondContact O-N 2.96Å; I224-E226 PolarHBondContact O-N 3.28Å
225N47.6Very low49.6Very low101 Ų101136.3 Ų136.354%0.5469%0.689SS.*  trans-56.6109.3167.3-74.7-45.3000106.8E223 N227 D228E223-N225 PolarHBondContact O-N 3.33Å; N225-N227 PolarHBondContact O-N 3.5Å; N225-D228 PolarHBondContact O-N 2.91Å
226E56.2Low50.1Low179 Ų179136.6 Ų136.684%0.83669%0.69SS**THydrogen-bonded Turntrans-58.60.3-179.8-152.9172.7-172.200113.2I224I224-E226 PolarHBondContact O-N 3.28Å
227N55.6Low50.9Low146 Ų146136.2 Ų136.278%0.78169%0.688SS**THydrogen-bonded Turntrans-98.5-4.7-178.3-60.3-51.3000114.4N225 S229N225-N227 PolarHBondContact O-N 3.5Å; N227-S229 VanDerWaalsContact C-N 3.31Å
228D50.3Low51.4Low138 Ų138133.6 Ų133.674%0.73869%0.687SS**  trans-94.819.2176.1-75.9-5.5000112.7N225 I230N225-D228 PolarHBondContact O-N 2.91Å; D228-I230 PolarHBondContact O-N 3.4Å
229S47.1Very low51.5Low101 Ų101135.2 Ų135.271%0.70670%0.696SS**  trans-60.798167.8-170.70000108.9N227 D231N227-S229 VanDerWaalsContact C-N 3.31Å; S229-D231 VanDerWaalsContact C-N 3.25Å; S229-D231 PolarHBondContact O-N 3.41Å
230I55.3Low51.8Low122 Ų122134.6 Ų134.663%0.62669%0.694SS**  trans-67.197.4165.2-60.1167.1000104.8D228 F232D228-I230 PolarHBondContact O-N 3.4Å; I230-F232 HydrophobicContact CB-CD2 4.05Å; I230-F232 HydrophobicContact CB-CE2 4.01Å; I230-F232 HydrophobicContact CG2-CD2 3.52Å; I230-F232 HydrophobicContact CG2-CE2 3.41Å; I230-F232 VanDerWaalsContact CG2-CE2 3.41Å; I230-F232 HydrophobicContact CG2-CG 4.3Å; I230-F232 HydrophobicContact CG2-CZ 4.11Å; I230-F232 WeakPolarHBondContact O-CD2 3.39Å; I230-F232 PolarHBondContact O-N 3.23Å
231D52.2Low51.7Low78 Ų78135.2 Ų135.242%0.41770%0.697SS.*  trans-62.381.4173.7-171.716.2000108.9S229 D233 K234S229-D231 VanDerWaalsContact C-N 3.25Å; S229-D231 PolarHBondContact O-N 3.41Å; D231-D233 PolarHBondContact O-N 3.38Å; D231-K234 WeakPolarHBondContact O-CB 3.05Å; D231-K234 PolarHBondContact O-N 2.93Å; D231-K234 WeakPolarHBondContact OD2-CD 3.38Å
232F52.9Low51.8Low139 Ų139135.6 Ų135.661%0.6170%0.698SS**G310 helixtrans-68-16.6176.5-93.9-81.7000111.5I230 K234 L235 L236I230-F232 HydrophobicContact CB-CD2 4.05Å; I230-F232 HydrophobicContact CB-CE2 4.01Å; I230-F232 HydrophobicContact CG2-CD2 3.52Å; I230-F232 HydrophobicContact CG2-CE2 3.41Å; I230-F232 VanDerWaalsContact CG2-CE2 3.41Å; I230-F232 HydrophobicContact CG2-CG 4.3Å; I230-F232 HydrophobicContact CG2-CZ 4.11Å; I230-F232 WeakPolarHBondContact O-CD2 3.39Å; I230-F232 PolarHBondContact O-N 3.23Å; F232-K234 PolarHBondContact O-N 2.64Å; F232-L235 HydrophobicContact CD1-CD1 3.86Å; F232-L235 HydrophobicContact CE1-CD1 3.97Å; F232-L235 PolarHBondContact O-N 3.33Å; F232-L236 PolarHBondContact O-N 3.21Å
233D51.8Low51.8Low121 Ų121137 Ų13765%0.64770%0.701SS**G310 helixtrans-68.2-20.7173.7-64.2-24.1000112D231 L235 N237D231-D233 PolarHBondContact O-N 3.38Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-N237 PolarHBondContact O-ND2 3.09Å
234K57.9Low51.6Low149 Ų149135.4 Ų135.465%0.64871%0.707SS**G310 helixtrans-76.6-17.2169.8-106.3172.9-179-73.90114.1D231 F232D231-K234 WeakPolarHBondContact O-CB 3.05Å; D231-K234 PolarHBondContact O-N 2.93Å; D231-K234 WeakPolarHBondContact OD2-CD 3.38Å; F232-K234 PolarHBondContact O-N 2.64Å
235L47.2Very low52Low106 Ų106136.1 Ų136.156%0.55571%0.713SS**THydrogen-bonded Turntrans-96.2-16.7-177.8-65.6175.3000112.9F232 D233F232-L235 HydrophobicContact CD1-CD1 3.86Å; F232-L235 HydrophobicContact CE1-CD1 3.97Å; F232-L235 PolarHBondContact O-N 3.33Å; D233-L235 VanDerWaalsContact C-N 3.33Å
236L53.7Low51.9Low141 Ų141142.5 Ų142.574%0.73873%0.729SS**SBendtrans-93.6-9.5-178.8-137.973000114.2F232F232-L236 PolarHBondContact O-N 3.21Å
237N56.3Low51.8Low121 Ų121141.2 Ų141.265%0.64773%0.726SS**SBendtrans-97.1-9-176.5-75.4-52.5000114.8D233D233-N237 PolarHBondContact O-ND2 3.09Å
238D51.3Low52Low139 Ų139142.4 Ų142.474%0.74373%0.733SS**SBendtrans-94.4-9.6179.8-77.2-14000113.9
239D51.5Low52.3Low152 Ų152143.2 Ų143.281%0.81374%0.737SS**SBendtrans-99.26.3-179.2-82-23.5000114.5
240M51.9Low53Low161 Ų161148 Ų14879%0.79375%0.745SS**SBendtrans-10831.4-177.1-114.7-75.7-6000113.5
241L51.9Low52.7Low154 Ų154154.7 Ų154.781%0.80677%0.77SS**SBendtrans-137.626.1-175.7-122.4167.2000115.4
242L51Low52.7Low151 Ų151158.6 Ų158.679%0.79179%0.788SS**  trans-125.5146.3160.8-95.799000108.7
243H51Low52.7Low183 Ų183159.6 Ų159.685%0.84780%0.797SS**  trans106.621-178.5-41.9165.9000115.9N245H243-N245 PolarHBondContact O-N 3.05Å
244S44.3Very low52.7Low126 Ų126161.7 Ų161.788%0.88181%0.805SS**  trans-94.574.3149.7-83.30000109
245N54.9Low52.4Low151 Ų151162.5 Ų162.581%0.80782%0.815SS**  trans-138.5118.3165.1-92.7-44.5000108.3H243H243-N245 PolarHBondContact O-N 3.05Å
246R44.8Very low52.8Low235 Ų235166 Ų16689%0.88783%0.831SS**  trans78.198.5140.3-164.9-179.3-171.8133.50115.4
247I54.7Low52.7Low151 Ų151167.7 Ų167.777%0.77484%0.837SS**  -168.190.5124.2-77.2132.8000106N249I247-N249 HydrophobicContact CG2-CB 4.3Å
248D60Low52.4Low172 Ų172171 Ų17192%0.9285%0.851SS**  trans-90.8102.1157.4-78.5-37.1000106.8K250D248-K250 PolarHBondContact O-N 3.38Å
249N56.7Low52.5Low154 Ų154173.5 Ų173.582%0.82486%0.859SS**  trans-81.8104.3174.8-132.8-16.3000107.7I247I247-N249 HydrophobicContact CG2-CB 4.3Å
250K61.2Low52.6Low201 Ų201175.3 Ų175.387%0.87486%0.863SS**  trans-83114.1175.9-161.8176.5-176.4-178.50108.8D248D248-K250 PolarHBondContact O-N 3.38Å
251K49.3Very low52.7Low264 Ų264176.5 Ų176.5100%1.14887%0.869SS**  trans-78.30159.9-173178.4179.2-173.60109.9

Retrieved 251 of 251 residues in 59.7 ms (Link to these results)