C4QIH8_SCHMA Loading...

DNA primase large subunit

AlphaFold DB , UniProt , Accession C4QIH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 515 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
1M40Very low39.9Very low223 Ų223144.5 Ų144.5100%1.09977%0.765SS**  0100.70-76178.5-17300106.9F3M1-F3 PolarHBondContact O-N 3.23Å; M1-F3 VanDerWaalsContact O-N 3.14Å
2E36.8Very low42Very low197 Ų197138.3 Ų138.392%0.92173%0.727SS**  trans-65.7112.1163.4-78.7-179.515300106.2K4E2-K4 PolarHBondContact O-N 3.42Å
3F45.3Very low44.7Very low195 Ų195133.2 Ų133.286%0.85570%0.7SS**  trans-58.6108.1168.8-73.6-86.3000106M1 S5M1-F3 PolarHBondContact O-N 3.23Å; M1-F3 VanDerWaalsContact O-N 3.14Å; F3-S5 PolarHBondContact O-N 2.76Å
4K35.1Very low47.5Very low202 Ų202124.4 Ų124.488%0.87865%0.654SS**  trans-51.9102.4159.4-90-176.6173.9177.80105E2 P6E2-K4 PolarHBondContact O-N 3.42Å; K4-P6 WeakPolarHBondContact O-CD 3.29Å
5S35.6Very low50.2Low87 Ų87116.7 Ų116.761%0.60861%0.612SS**  trans-47.5117163.4169.60000105F3 A7F3-S5 PolarHBondContact O-N 2.76Å; S5-A7 PolarHBondContact O-N 2.84Å
6P33.5Very low52.8Low110 Ų110109.6 Ų109.671%0.71458%0.575SS**  trans-53.8126.5-178.721.8-29.8000105.3K4 V8K4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-V8 VanDerWaalsContact C-N 3.35Å; P6-V8 PolarHBondContact O-N 3.02Å
7A32.7Very low55.1Low100 Ų100106.2 Ų106.283%0.82656%0.555SS**  trans-38.8105.7-178.800000107.4S5 A9S5-A7 PolarHBondContact O-N 2.84Å; A7-A9 PolarHBondContact O-N 3.07Å
8V37.2Very low57.2Low96 Ų96101.2 Ų101.258%0.58253%0.528SS*.  trans-64.990.4178.9176.60000102.4P6 K10P6-V8 VanDerWaalsContact C-N 3.35Å; P6-V8 PolarHBondContact O-N 3.02Å; V8-K10 PolarHBondContact O-N 3.31Å
9A41Very low59.1Low64 Ų6496.1 Ų96.153%0.52950%0.502SS..  trans-42.6116.1166.800000103.2A7 H11A7-A9 PolarHBondContact O-N 3.07Å; A9-H11 WeakPolarHBondContact O-CA 3.32Å; A9-H11 WeakPolarHBondContact O-CB 3.42Å; A9-H11 PolarHBondContact O-CD2 3.44Å; A9-H11 PolarHBondContact O-N 3.31Å; A9-H11 PolarHBondContact O-ND1 3.17Å
10K45.9Very low60.7Low202 Ų20295.7 Ų95.788%0.87850%0.5SS*.  trans-4586.2-166.8-75.1174.3175.2173.90109.8V8 K12V8-K10 PolarHBondContact O-N 3.31Å; K10-K12 PolarHBondContact O-N 3.02Å
11H55.7Low62Low113 Ų11395.9 Ų95.952%0.52351%0.508SS..  trans-82102.6-162.7-85.8-53.3000103.1A9 L13A9-H11 WeakPolarHBondContact O-CA 3.32Å; A9-H11 WeakPolarHBondContact O-CB 3.42Å; A9-H11 PolarHBondContact O-CD2 3.44Å; A9-H11 PolarHBondContact O-N 3.31Å; A9-H11 PolarHBondContact O-ND1 3.17Å; H11-L13 PolarHBondContact O-N 3.26Å
12K65.2Low64.4Low70 Ų7089.5 Ų89.530%0.30448%0.483SS..PPolyproline II helixtrans-57.8131.8-179.7-70.4178.8-178.5171.80108.2K10 I14K10-K12 PolarHBondContact O-N 3.02Å; K12-I14 PolarHBondContact O-N 2.74Å
13L77Confident67Low72 Ų7282.4 Ų82.438%0.37746%0.455SS..PPolyproline II helixtrans-65.5130-178.8-69.6161.4000109.1H11 R15 A88 K89 I92H11-L13 PolarHBondContact O-N 3.26Å; L13-R15 PolarHBondContact O-N 3.48Å; L13-A88 HydrophobicContact CD1-CB 3.99Å; L13-K89 HydrophobicContact CD1-CG 3.59Å; L13-I92 HydrophobicContact CB-CD1 3.86Å
14I84.5Confident69Low11 Ų1179 Ų796%0.05646%0.455CS..PPolyproline II helixtrans-79.6117.2174.1-63167.3000108.4K12 L16 Q17 V141 R144 F145 E148K12-I14 PolarHBondContact O-N 2.74Å; I14-L16 HydrophobicContact CG2-CB 4.17Å; I14-L16 WeakPolarHBondContact CG2-O 3.42Å; I14-Q17 PolarHBondContact O-NE2 2.97Å; I14-V141 HydrophobicContact CG1-CG1 4.39Å; I14-V141 HydrophobicContact CG2-CG1 4.48Å; I14-R144 HydrophobicContact CD1-CB 3.98Å; I14-R144 HydrophobicContact CD1-CG 3.61Å; I14-F145 HydrophobicContact CD1-CB 4.47Å; I14-F145 HydrophobicContact CG2-CB 4.08Å; I14-F145 HydrophobicContact CG2-CD2 4.04Å; I14-E148 WeakPolarHBondContact CD1-OE2 3.38Å
15R87.6Confident71.6Confident8 Ų873.2 Ų73.23%0.0343%0.434CS..  trans-80.8-28.2176.9-61.3-176.573.7149.313.3113.4L13 I77 S80 D91 I92 R127L13-R15 PolarHBondContact O-N 3.48Å; R15-I77 PolarHBondContact NH2-O 3.38Å; R15-I77 VanDerWaalsContact NH2-O 3.14Å; R15-S80 PolarHBondContact NH1-O 2.74Å; R15-D91 IonicContact CZ-OD2 3.06Å; R15-D91 IonicContact NH1-OD2 2.62Å; R15-D91 VanDerWaalsContact NH2-CB 3.32Å; R15-D91 IonicContact NH2-OD2 2.87Å; R15-D91 PolarHBondContact NH2-OD2 3.38Å; R15-I92 HydrophobicContact CB-CG1 4.48Å; R15-I92 HydrophobicContact CG-CD1 4.2Å; R15-I92 HydrophobicContact CG-CG1 4.18Å; R15-R127 PolarHBondContact O-NH2 3.49Å
16L91.2Very high74.2Confident4 Ų477.4 Ų77.42%0.02145%0.447CS..  trans-68.6136.2176.6-68.5171.1000110.5I14 R127 F128 E131 I142 F145I14-L16 HydrophobicContact CG2-CB 4.17Å; I14-L16 WeakPolarHBondContact CG2-O 3.42Å; L16-R127 HydrophobicContact CD2-CB 3.64Å; L16-F128 HydrophobicContact CD1-CD2 4.17Å; L16-E131 HydrophobicContact CD1-CB 4.02Å; L16-E131 HydrophobicContact CD1-CG 4.17Å; L16-I142 HydrophobicContact CD1-CD1 3.56Å; L16-F145 HydrophobicContact CB-CD2 3.67Å; L16-F145 HydrophobicContact CB-CE2 3.7Å; L16-F145 HydrophobicContact CB-CG 4.21Å; L16-F145 HydrophobicContact CB-CZ 4.28Å
17Q91.7Very high76.9Confident51 Ų5174.2 Ų74.224%0.23842%0.424CS..  trans-138.3141.2-175.2-65-63.8-36.500110.3I14 Y19 I96I14-Q17 PolarHBondContact O-NE2 2.97Å; Q17-Y19 VanDerWaalsContact C-N 3.3Å; Q17-Y19 HydrophobicContact CB-CD1 3.89Å; Q17-Y19 HydrophobicContact CB-CD2 4.41Å; Q17-Y19 HydrophobicContact CB-CE1 3.8Å; Q17-Y19 HydrophobicContact CB-CE2 4.32Å; Q17-Y19 HydrophobicContact CB-CG 4.2Å; Q17-Y19 HydrophobicContact CG-CE1 4.48Å; Q17-Y19 WeakPolarHBondContact O-CE2 3.45Å; Q17-I96 HydrophobicContact CG-CG1 4.36Å
18F92.8Very high79.7Confident16 Ų1676 Ų767%0.0742%0.415CS..  trans-86.7-5161.4-90.520000112.5N20 F124 F145 N149 L151 V219 C222 F223F18-N20 PolarHBondContact O-N 2.81Å; F18-F124 HydrophobicContact CD1-CE2 4.24Å; F18-F124 HydrophobicContact CD1-CZ 4.25Å; F18-F124 HydrophobicContact CE1-CE1 4.38Å; F18-F124 HydrophobicContact CE1-CE2 4.19Å; F18-F124 AromaticContact CE1-CZ 3.74Å; F18-F124 HydrophobicContact CE1-CZ 3.74Å; F18-F145 HydrophobicContact CD1-CE1 4.49Å; F18-F145 HydrophobicContact CD1-CE2 4.18Å; F18-F145 AromaticContact CD1-CZ 3.54Å; F18-F145 HydrophobicContact CD1-CZ 3.54Å; F18-F145 HydrophobicContact CE1-CE1 4.11Å; F18-F145 AromaticContact CE1-CZ 3.57Å; F18-F145 HydrophobicContact CE1-CZ 3.57Å; F18-N149 VanDerWaalsContact CB-OD1 3.27Å; F18-N149 WeakPolarHBondContact CB-OD1 3.23Å; F18-N149 HydrophobicContact CD2-CB 4.13Å; F18-N149 WeakPolarHBondContact CD2-OD1 3.48Å; F18-N149 HydrophobicContact CE2-CB 4.27Å; F18-N149 WeakPolarHBondContact CG-OD1 3.46Å; F18-L151 HydrophobicContact CE2-CD1 4.17Å; F18-L151 HydrophobicContact CZ-CD1 3.87Å; F18-V219 HydrophobicContact CE1-CG1 4.26Å; F18-V219 HydrophobicContact CZ-CG1 4.3Å; F18-C222 HydrophobicContact CE2-CB 4.11Å; F18-C222 HydrophobicContact CZ-CB 4Å; F18-F223 HydrophobicContact CD1-CB 4.34Å; F18-F223 AromaticContact CD1-CD2 3.71Å; F18-F223 HydrophobicContact CD1-CD2 3.71Å; F18-F223 HydrophobicContact CD1-CG 4.5Å; F18-F223 HydrophobicContact CE1-CB 3.84Å; F18-F223 HydrophobicContact CE1-CD2 4.08Å; F18-F223 HydrophobicContact CE1-CG 4.43Å; F18-F223 HydrophobicContact CG-CD2 4.26Å; F18-F223 HydrophobicContact CZ-CB 4.16Å
19Y94.8Very high82Confident5 Ų574.6 Ų74.62%0.0240%0.404CS..  trans55.849.2-177.8-47.6-81.1000112Q17 R39 D95 I96 H99 F100 R127 F223Q17-Y19 VanDerWaalsContact C-N 3.3Å; Q17-Y19 HydrophobicContact CB-CD1 3.89Å; Q17-Y19 HydrophobicContact CB-CD2 4.41Å; Q17-Y19 HydrophobicContact CB-CE1 3.8Å; Q17-Y19 HydrophobicContact CB-CE2 4.32Å; Q17-Y19 HydrophobicContact CB-CG 4.2Å; Q17-Y19 HydrophobicContact CG-CE1 4.48Å; Q17-Y19 WeakPolarHBondContact O-CE2 3.45Å; Y19-R39 PolarHBondContact OH-NH2 3.39Å; Y19-D95 PolarHBondContact OH-OD1 3.43Å; Y19-D95 PolarHBondContact OH-OD2 3.22Å; Y19-D95 VanDerWaalsContact OH-OD2 3.04Å; Y19-I96 HydrophobicContact CD1-CG1 4.33Å; Y19-I96 HydrophobicContact CE1-CG1 4.43Å; Y19-H99 WeakPolarHBondContact CB-CD2 3.12Å; Y19-H99 WeakPolarHBondContact CB-NE2 3.36Å; Y19-H99 HydrophobicContact CD1-CB 3.69Å; Y19-H99 AromaticContact CD1-CD2 3.6Å; Y19-H99 AromaticContact CD1-CG 3.56Å; Y19-H99 AromaticContact CD2-CD2 3.56Å; Y19-H99 AromaticContact CD2-CE1 3.27Å; Y19-H99 WeakPolarHBondContact CD2-CE1 3.42Å; Y19-H99 AromaticContact CD2-CG 3.63Å; Y19-H99 AromaticContact CD2-ND1 3.46Å; Y19-H99 WeakPolarHBondContact CD2-ND1 3.41Å; Y19-H99 AromaticContact CD2-NE2 3.34Å; Y19-H99 VanDerWaalsContact CD2-NE2 3.34Å; Y19-H99 WeakPolarHBondContact CD2-NE2 3.24Å; Y19-H99 HydrophobicContact CE1-CB 3.58Å; Y19-H99 AromaticContact CE1-CG 3.73Å; Y19-H99 HydrophobicContact CE2-CB 4.46Å; Y19-H99 AromaticContact CE2-CE1 3.62Å; Y19-H99 AromaticContact CE2-CG 3.81Å; Y19-H99 AromaticContact CE2-ND1 3.42Å; Y19-H99 WeakPolarHBondContact CE2-ND1 3.33Å; Y19-H99 HydrophobicContact CG-CB 4.17Å; Y19-H99 AromaticContact CG-CD2 3.21Å; Y19-H99 AromaticContact CG-CE1 3.8Å; Y19-H99 AromaticContact CG-CG 3.5Å; Y19-H99 AromaticContact CG-ND1 3.86Å; Y19-H99 AromaticContact CG-NE2 3.43Å; Y19-H99 AromaticContact CZ-CG 3.85Å; Y19-H99 AromaticContact CZ-ND1 3.77Å; Y19-F100 WeakPolarHBondContact O-CZ 3.27Å; Y19-R127 PolarHBondContact OH-NH1 3.36Å; Y19-F223 AromaticContact CD2-CE2 3.78Å; Y19-F223 HydrophobicContact CD2-CE2 3.78Å; Y19-F223 HydrophobicContact CD2-CZ 4.11Å; Y19-F223 AromaticContact CE2-CE2 3.94Å; Y19-F223 HydrophobicContact CE2-CE2 3.94Å; Y19-F223 AromaticContact CE2-CZ 3.98Å; Y19-F223 HydrophobicContact CE2-CZ 3.98Å
20N89.7Confident84.2Confident88 Ų8877.3 Ų77.347%0.47141%0.409SS..  trans-78.7-30178.7-63.9-33000112.5F18 N149F18-N20 PolarHBondContact O-N 2.81Å; N20-N149 PolarHBondContact ND2-OD1 3.41Å; N20-N149 VanDerWaalsContact ND2-OD1 3.13Å
21C88.8Confident86.3Confident100 Ų10071.3 Ų71.368%0.67638%0.384SS*.SBendtrans-111.6116.7-177.2-620000110.2F100C21-F100 VanDerWaalsContact O-CE2 3.24Å; C21-F100 WeakPolarHBondContact O-CE2 3.45Å; C21-F100 WeakPolarHBondContact O-CZ 3.32Å
22P90.3Very high87.9Confident88 Ų8867 Ų6757%0.57137%0.365SS*.  trans-68.5149.7173.928.8-33.5000111.4F100P22-F100 VanDerWaalsContact CA-CZ 3.47Å; P22-F100 HydrophobicContact CB-CD1 4.07Å; P22-F100 HydrophobicContact CB-CE1 3.84Å; P22-F100 HydrophobicContact CB-CE2 4.43Å; P22-F100 HydrophobicContact CB-CG 4.44Å; P22-F100 HydrophobicContact CB-CZ 4.02Å
23P90.9Very high89Confident49 Ų4966.2 Ų66.232%0.31836%0.363SS..  trans-64142.2172.428.1-33000110.3D25 I96 V97 F100P23-D25 WeakPolarHBondContact CB-OD1 3.08Å; P23-I96 HydrophobicContact CB-CG2 4.46Å; P23-I96 HydrophobicContact CG-CG2 4.33Å; P23-V97 HydrophobicContact CB-CG2 4.12Å; P23-V97 HydrophobicContact CG-CG2 4.02Å; P23-F100 VanDerWaalsContact CD-CD2 3.49Å
24S88.4Confident89.6Confident123 Ų12366.4 Ų66.486%0.8636%0.364SS*.  trans-114.4-4.7-178.262.90000113.5
25D89.5Confident89.9Confident81 Ų8166.5 Ų66.543%0.43336%0.364SS..SBendtrans-78.1164.4179.857.4-67.2000112.1P23 H93P23-D25 WeakPolarHBondContact CB-OD1 3.08Å; D25-H93 IonicContact OD1-CE1 3.95Å; D25-H93 IonicContact OD2-CE1 2.98Å; D25-H93 PolarHBondContact OD2-CE1 3.02Å; D25-H93 IonicContact OD2-NE2 2.68Å
26I90Very high90.1Very high174 Ų17466.1 Ų66.189%0.89236%0.362SS*.  trans-92.9123.2-179-58.7173000107.8
27I90.6Very high89.9Confident44 Ų4466.6 Ų66.623%0.22637%0.365CS..  trans-118.8143.9177.6-170.2171.7000110.5E31 L32 Y35 V97I27-E31 HydrophobicContact CD1-CB 4.3Å; I27-E31 HydrophobicContact CD1-CG 4.03Å; I27-E31 HydrophobicContact CG1-CB 4.1Å; I27-E31 HydrophobicContact CG1-CG 4.18Å; I27-L32 HydrophobicContact CD1-CB 4.25Å; I27-L32 HydrophobicContact CD1-CD1 4.42Å; I27-L32 HydrophobicContact CG1-CB 4.5Å; I27-L32 HydrophobicContact CG2-CB 4.18Å; I27-L32 HydrophobicContact CG2-CD1 4.17Å; I27-L32 HydrophobicContact CG2-CD2 4.41Å; I27-L32 HydrophobicContact CG2-CG 4.5Å; I27-Y35 HydrophobicContact CD1-CD2 3.83Å; I27-Y35 HydrophobicContact CD1-CE2 3.69Å; I27-V97 HydrophobicContact CD1-CG1 3.8Å
28E90.9Very high89.9Confident138 Ų13865 Ų6565%0.64536%0.358SS*.  trans-67.4144173.2-65.5-166.8167.800111.3N30 E31 L32E28-N30 VanDerWaalsContact C-N 3.3Å; E28-N30 PolarHBondContact O-N 2.91Å; E28-E31 HydrophobicContact CB-CB 4.28Å; E28-E31 PolarHBondContact O-N 3.47Å; E28-L32 WeakPolarHBondContact O-CB 3.31Å; E28-L32 PolarHBondContact O-N 2.72Å
29L85.9Confident90Very high66 Ų6664.3 Ų64.335%0.34636%0.355SS..Hα-helixtrans-62.1-37.8-176.4-173.763000112.5L32 E33 R248 L252L29-L32 HydrophobicContact CD1-CD2 4.45Å; L29-L32 PolarHBondContact O-N 3.2Å; L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 PolarHBondContact O-N 3.34Å; L29-R248 HydrophobicContact CD2-CG 4.39Å; L29-L252 HydrophobicContact CD1-CD2 3.63Å; L29-L252 HydrophobicContact CG-CD2 4.44Å
30N86.7Confident89.9Confident120 Ų12064.1 Ų64.164%0.64235%0.354SS*.Hα-helixtrans-66.6-38.8178.6-66.7-22.9000111.8E28 E33 D34E28-N30 VanDerWaalsContact C-N 3.3Å; E28-N30 PolarHBondContact O-N 2.91Å; N30-E33 PolarHBondContact O-N 2.94Å; N30-D34 PolarHBondContact O-N 2.96Å
31E90.4Very high89.9Confident76 Ų7664.5 Ų64.536%0.35535%0.349SS..Hα-helixtrans-68.9-43.6177.3-172.1-175.6-178.600110.9I27 E28 E33 D34 Y35I27-E31 HydrophobicContact CD1-CB 4.3Å; I27-E31 HydrophobicContact CD1-CG 4.03Å; I27-E31 HydrophobicContact CG1-CB 4.1Å; I27-E31 HydrophobicContact CG1-CG 4.18Å; E28-E31 HydrophobicContact CB-CB 4.28Å; E28-E31 PolarHBondContact O-N 3.47Å; E31-E33 VanDerWaalsContact C-N 3.3Å; E31-E33 PolarHBondContact O-N 3.22Å; E31-D34 WeakPolarHBondContact O-CB 3.4Å; E31-D34 PolarHBondContact O-N 3.46Å; E31-D34 VanDerWaalsContact O-N 3.17Å; E31-Y35 HydrophobicContact CG-CD2 4.41Å; E31-Y35 HydrophobicContact CG-CE1 4.03Å; E31-Y35 HydrophobicContact CG-CE2 3.74Å; E31-Y35 PolarHBondContact O-N 3.26Å; E31-Y35 VanDerWaalsContact OE1-CZ 3.23Å; E31-Y35 PolarHBondContact OE1-OH 2.95Å
32L89.7Confident90.2Very high23 Ų2359.7 Ų59.712%0.1232%0.317CS..Hα-helixtrans-58.8-42.3174.2-176.364.9000112I27 E28 L29 Y35 A36 V97 I101I27-L32 HydrophobicContact CD1-CB 4.25Å; I27-L32 HydrophobicContact CD1-CD1 4.42Å; I27-L32 HydrophobicContact CG1-CB 4.5Å; I27-L32 HydrophobicContact CG2-CB 4.18Å; I27-L32 HydrophobicContact CG2-CD1 4.17Å; I27-L32 HydrophobicContact CG2-CD2 4.41Å; I27-L32 HydrophobicContact CG2-CG 4.5Å; E28-L32 WeakPolarHBondContact O-CB 3.31Å; E28-L32 PolarHBondContact O-N 2.72Å; L29-L32 HydrophobicContact CD1-CD2 4.45Å; L29-L32 PolarHBondContact O-N 3.2Å; L32-Y35 PolarHBondContact O-N 2.85Å; L32-A36 WeakPolarHBondContact O-CB 3.47Å; L32-A36 PolarHBondContact O-N 3.16Å; L32-V97 HydrophobicContact CD1-CG1 3.49Å; L32-V97 VanDerWaalsContact CD1-CG1 3.49Å; L32-I101 HydrophobicContact CD1-CB 3.82Å; L32-I101 HydrophobicContact CD1-CD1 4.19Å; L32-I101 HydrophobicContact CD1-CG1 3.9Å; L32-I101 HydrophobicContact CD1-CG2 4.18Å; L32-I101 HydrophobicContact CD2-CD1 3.83Å; L32-I101 HydrophobicContact CD2-CG1 4.26Å; L32-I101 HydrophobicContact CG-CB 4.43Å; L32-I101 HydrophobicContact CG-CD1 4.09Å; L32-I101 HydrophobicContact CG-CG1 3.94Å
33E86.9Confident90.4Very high54 Ų5455.5 Ų55.525%0.25229%0.29SS..Hα-helixtrans-62.2-44.7174.3173.5165.1-168.100112L29 N30 E31 Y35 A36 V37 L252 R259L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 PolarHBondContact O-N 3.34Å; N30-E33 PolarHBondContact O-N 2.94Å; E31-E33 VanDerWaalsContact C-N 3.3Å; E31-E33 PolarHBondContact O-N 3.22Å; E33-Y35 PolarHBondContact O-N 2.89Å; E33-A36 PolarHBondContact O-N 3.23Å; E33-V37 WeakPolarHBondContact O-CG2 3.46Å; E33-V37 PolarHBondContact O-N 3.23Å; E33-L252 HydrophobicContact CB-CD1 3.56Å; E33-L252 HydrophobicContact CB-CD2 4.05Å; E33-L252 HydrophobicContact CB-CG 4.47Å; E33-L252 VanDerWaalsContact CD-CD1 3.45Å; E33-L252 HydrophobicContact CG-CD1 3.44Å; E33-L252 VanDerWaalsContact CG-CD1 3.44Å; E33-R259 IonicContact OE1-CZ 3.23Å; E33-R259 IonicContact OE1-NH1 3.52Å; E33-R259 PolarHBondContact OE1-NH1 2.95Å; E33-R259 IonicContact OE1-NH2 3.18Å; E33-R259 PolarHBondContact OE1-NH2 3.43Å
34D89.3Confident90.3Very high75 Ų7555 Ų5540%0.40128%0.283SS..Hα-helixtrans-61.3-44.5177.9-170.655.4000111.7N30 E31 A36 V37 H38N30-D34 PolarHBondContact O-N 2.96Å; E31-D34 WeakPolarHBondContact O-CB 3.4Å; E31-D34 PolarHBondContact O-N 3.46Å; E31-D34 VanDerWaalsContact O-N 3.17Å; D34-A36 PolarHBondContact O-N 3.33Å; D34-V37 PolarHBondContact O-N 3.34Å; D34-H38 VanDerWaalsContact CG-CE1 3.44Å; D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 3.11Å; D34-H38 PolarHBondContact O-ND1 2.96Å; D34-H38 IonicContact OD1-CE1 2.74Å; D34-H38 PolarHBondContact OD1-CE1 3.4Å; D34-H38 IonicContact OD1-ND1 3.41Å; D34-H38 PolarHBondContact OD1-ND1 3.13Å; D34-H38 VanDerWaalsContact OD1-ND1 3.14Å; D34-H38 IonicContact OD2-CE1 3.42Å; D34-H38 PolarHBondContact OD2-CE1 3.45Å; D34-H38 VanDerWaalsContact OD2-CE1 3.26Å; D34-H38 IonicContact OD2-ND1 3.61Å; D34-H38 PolarHBondContact OD2-ND1 3.15Å
35Y92.3Very high90.5Very high13 Ų1349.9 Ų49.95%0.05125%0.246CC..Hα-helixtrans-63-41.7176.5-68.5-6.6000112.4I27 E31 L32 E33 R39 F74 K94 V97 S98I27-Y35 HydrophobicContact CD1-CD2 3.83Å; I27-Y35 HydrophobicContact CD1-CE2 3.69Å; E31-Y35 HydrophobicContact CG-CD2 4.41Å; E31-Y35 HydrophobicContact CG-CE1 4.03Å; E31-Y35 HydrophobicContact CG-CE2 3.74Å; E31-Y35 PolarHBondContact O-N 3.26Å; E31-Y35 VanDerWaalsContact OE1-CZ 3.23Å; E31-Y35 PolarHBondContact OE1-OH 2.95Å; L32-Y35 PolarHBondContact O-N 2.85Å; E33-Y35 PolarHBondContact O-N 2.89Å; Y35-R39 PolarHBondContact O-N 3.49Å; Y35-F74 HydrophobicContact CD1-CE2 4.07Å; Y35-F74 HydrophobicContact CG-CE2 4.48Å; Y35-K94 HydrophobicContact CD1-CG 4.34Å; Y35-K94 HydrophobicContact CD2-CG 4.46Å; Y35-K94 HydrophobicContact CE1-CD 3.95Å; Y35-K94 HydrophobicContact CE1-CG 3.74Å; Y35-K94 HydrophobicContact CE2-CG 3.89Å; Y35-K94 VanDerWaalsContact CZ-CG 3.5Å; Y35-K94 WeakPolarHBondContact OH-CE 3.42Å; Y35-V97 HydrophobicContact CD2-CB 4.22Å; Y35-V97 HydrophobicContact CD2-CG1 3.91Å; Y35-S98 WeakPolarHBondContact O-CB 3.32Å
36A90.3Very high90.7Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-62.2-47.7175.600000111.3L32 E33 D34 H38 R39 I40 I101 L102 L256L32-A36 WeakPolarHBondContact O-CB 3.47Å; L32-A36 PolarHBondContact O-N 3.16Å; E33-A36 PolarHBondContact O-N 3.23Å; D34-A36 PolarHBondContact O-N 3.33Å; A36-H38 PolarHBondContact O-N 3Å; A36-R39 PolarHBondContact O-N 3.47Å; A36-I40 VanDerWaalsContact O-CG1 3.27Å; A36-I40 WeakPolarHBondContact O-CG1 3.38Å; A36-I40 PolarHBondContact O-N 3.24Å; A36-I101 HydrophobicContact CB-CG1 4.44Å; A36-I101 HydrophobicContact CB-CG2 3.75Å; A36-L102 HydrophobicContact CB-CD2 3.96Å; A36-L256 HydrophobicContact CB-CD1 3.67Å; A36-L256 HydrophobicContact CB-CD2 3.81Å; A36-L256 HydrophobicContact CB-CG 4.43Å
37V88.8Confident90.8Very high14 Ų1438.3 Ų38.39%0.08519%0.186CC..Hα-helixtrans-60.3-46.2178.9165.20000111.2E33 D34 I40 R41 L256 L261E33-V37 WeakPolarHBondContact O-CG2 3.46Å; E33-V37 PolarHBondContact O-N 3.23Å; D34-V37 PolarHBondContact O-N 3.34Å; V37-I40 PolarHBondContact O-N 3.16Å; V37-R41 WeakPolarHBondContact O-CG 3.49Å; V37-R41 PolarHBondContact O-N 3.21Å; V37-R41 VanDerWaalsContact O-N 3.07Å; V37-L256 HydrophobicContact CG2-CD2 4.1Å; V37-L261 HydrophobicContact CG1-CD2 3.96Å; V37-L261 HydrophobicContact CG2-CD2 4.36Å
38H91.6Very high90.8Very high19 Ų1936.5 Ų36.59%0.08818%0.177CC..Hα-helixtrans-64.1-42.2179.4-77.997.9000112.6D34 A36 I40 R41 V42 F74D34-H38 VanDerWaalsContact CG-CE1 3.44Å; D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 3.11Å; D34-H38 PolarHBondContact O-ND1 2.96Å; D34-H38 IonicContact OD1-CE1 2.74Å; D34-H38 PolarHBondContact OD1-CE1 3.4Å; D34-H38 IonicContact OD1-ND1 3.41Å; D34-H38 PolarHBondContact OD1-ND1 3.13Å; D34-H38 VanDerWaalsContact OD1-ND1 3.14Å; D34-H38 IonicContact OD2-CE1 3.42Å; D34-H38 PolarHBondContact OD2-CE1 3.45Å; D34-H38 VanDerWaalsContact OD2-CE1 3.26Å; D34-H38 IonicContact OD2-ND1 3.61Å; D34-H38 PolarHBondContact OD2-ND1 3.15Å; A36-H38 PolarHBondContact O-N 3Å; H38-I40 PolarHBondContact O-N 2.82Å; H38-R41 WeakPolarHBondContact O-CB 3.49Å; H38-R41 PolarHBondContact O-N 2.89Å; H38-V42 PolarHBondContact O-N 3.04Å; H38-F74 HydrophobicContact CB-CB 3.97Å; H38-F74 HydrophobicContact CB-CD1 3.5Å; H38-F74 HydrophobicContact CB-CD2 3.79Å; H38-F74 HydrophobicContact CB-CE1 3.81Å; H38-F74 HydrophobicContact CB-CE2 4.09Å; H38-F74 HydrophobicContact CB-CG 3.48Å; H38-F74 VanDerWaalsContact CB-CG 3.48Å; H38-F74 HydrophobicContact CB-CZ 4.11Å; H38-F74 AromaticContact CG-CG 4Å
39R94.5Very high90.9Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-65.5-37.6175.5-170.9179.2-157.3962.9112.3Y19 Y35 A36 R41 V42 L43 F74 D95 S98 L102 E120Y19-R39 PolarHBondContact OH-NH2 3.39Å; Y35-R39 PolarHBondContact O-N 3.49Å; A36-R39 PolarHBondContact O-N 3.47Å; R39-R41 VanDerWaalsContact C-N 3.29Å; R39-R41 PolarHBondContact O-N 3.15Å; R39-V42 WeakPolarHBondContact O-CB 3.4Å; R39-V42 PolarHBondContact O-N 3.49Å; R39-V42 VanDerWaalsContact O-N 3.14Å; R39-L43 HydrophobicContact CG-CD1 4.45Å; R39-L43 HydrophobicContact CG-CG 4.42Å; R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 2.75Å; R39-F74 HydrophobicContact CB-CE1 4.19Å; R39-D95 IonicContact CZ-OD1 3.32Å; R39-D95 PolarHBondContact NH1-O 2.74Å; R39-D95 IonicContact NH1-OD1 2.78Å; R39-D95 PolarHBondContact NH1-OD1 2.74Å; R39-D95 IonicContact NH2-OD1 2.89Å; R39-D95 PolarHBondContact NH2-OD1 3.18Å; R39-D95 VanDerWaalsContact NH2-OD1 3.09Å; R39-S98 VanDerWaalsContact CD-C 3.44Å; R39-S98 WeakPolarHBondContact CD-O 3.34Å; R39-S98 PolarHBondContact NH1-OG 2.89Å; R39-L102 HydrophobicContact CB-CD1 3.84Å; R39-L102 HydrophobicContact CB-CG 4.49Å; R39-L102 HydrophobicContact CG-CD1 3.68Å; R39-E120 IonicContact CZ-OE1 3.41Å; R39-E120 IonicContact CZ-OE2 2.62Å; R39-E120 IonicContact NE-OE1 3.14Å; R39-E120 IonicContact NE-OE2 3.39Å; R39-E120 PolarHBondContact NE-OE2 3.49Å; R39-E120 IonicContact NH2-OE1 2.78Å; R39-E120 PolarHBondContact NH2-OE1 2.86Å; R39-E120 IonicContact NH2-OE2 3.09Å
40I91.8Very high91.2Very high1 Ų127.1 Ų27.11%0.00513%0.133CC..Hα-helixtrans-62.2-39174.8-62.6164.2000110.8A36 V37 H38 V42 L43 K44 L102 Y106 L256 L261A36-I40 VanDerWaalsContact O-CG1 3.27Å; A36-I40 WeakPolarHBondContact O-CG1 3.38Å; A36-I40 PolarHBondContact O-N 3.24Å; V37-I40 PolarHBondContact O-N 3.16Å; H38-I40 PolarHBondContact O-N 2.82Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 2.96Å; I40-L43 PolarHBondContact O-N 2.86Å; I40-K44 HydrophobicContact CG2-CD 4.19Å; I40-K44 HydrophobicContact CG2-CG 4.39Å; I40-K44 WeakPolarHBondContact O-CB 3.49Å; I40-K44 WeakPolarHBondContact O-CG 3.22Å; I40-K44 PolarHBondContact O-N 2.98Å; I40-L102 HydrophobicContact CD1-CD2 3.87Å; I40-L102 HydrophobicContact CG1-CD1 3.71Å; I40-L102 HydrophobicContact CG1-CD2 3.71Å; I40-L102 HydrophobicContact CG1-CG 4.4Å; I40-Y106 HydrophobicContact CD1-CE2 4.36Å; I40-Y106 HydrophobicContact CG1-CE2 4.31Å; I40-L256 HydrophobicContact CD1-CB 4.16Å; I40-L256 HydrophobicContact CD1-CD2 3.99Å; I40-L261 HydrophobicContact CB-CD1 3.93Å; I40-L261 HydrophobicContact CG2-CD1 3.48Å; I40-L261 VanDerWaalsContact CG2-CD1 3.48Å
41R90.4Very high91.3Very high96 Ų9624.7 Ų24.736%0.36212%0.118SC..Hα-helixtrans-60.3-43.5173.8-69.9176.1173.1159.6-2.2111.5V37 H38 R39 K44 C45 I71 L261V37-R41 WeakPolarHBondContact O-CG 3.49Å; V37-R41 PolarHBondContact O-N 3.21Å; V37-R41 VanDerWaalsContact O-N 3.07Å; H38-R41 WeakPolarHBondContact O-CB 3.49Å; H38-R41 PolarHBondContact O-N 2.89Å; R39-R41 VanDerWaalsContact C-N 3.29Å; R39-R41 PolarHBondContact O-N 3.15Å; R41-K44 PolarHBondContact O-N 3.07Å; R41-C45 WeakPolarHBondContact O-CB 3.46Å; R41-C45 PolarHBondContact O-N 3.32Å; R41-I71 HydrophobicContact CB-CD1 4.4Å; R41-I71 HydrophobicContact CB-CG2 3.75Å; R41-L261 HydrophobicContact CG-CD1 4.03Å
42V94.3Very high91.2Very high0 Ų022.4 Ų22.40%011%0.108CC..Hα-helixtrans-59.1-48.9174.9166.90000111.3H38 R39 I40 K44 C45 V46 L68 I71 F74 F78 L123H38-V42 PolarHBondContact O-N 3.04Å; R39-V42 WeakPolarHBondContact O-CB 3.4Å; R39-V42 PolarHBondContact O-N 3.49Å; R39-V42 VanDerWaalsContact O-N 3.14Å; I40-V42 VanDerWaalsContact C-N 3.33Å; I40-V42 PolarHBondContact O-N 2.96Å; V42-K44 PolarHBondContact O-N 3.31Å; V42-C45 WeakPolarHBondContact O-CA 3.5Å; V42-C45 VanDerWaalsContact O-CB 3.28Å; V42-C45 WeakPolarHBondContact O-CB 3.31Å; V42-C45 PolarHBondContact O-N 3.26Å; V42-C45 VanDerWaalsContact O-N 3.11Å; V42-V46 VanDerWaalsContact O-CG2 3.3Å; V42-V46 WeakPolarHBondContact O-CG2 3.43Å; V42-V46 PolarHBondContact O-N 3.32Å; V42-L68 HydrophobicContact CB-CD2 4.2Å; V42-L68 HydrophobicContact CG1-CD2 3.76Å; V42-L68 HydrophobicContact CG2-CD2 4.13Å; V42-I71 HydrophobicContact CG2-CD1 4.17Å; V42-I71 HydrophobicContact CG2-CG2 4.49Å; V42-F74 HydrophobicContact CG2-CD1 4.25Å; V42-F78 HydrophobicContact CB-CE2 4.42Å; V42-F78 HydrophobicContact CG1-CD2 4.02Å; V42-F78 HydrophobicContact CG1-CE2 4.14Å; V42-F78 HydrophobicContact CG1-CG 4.41Å; V42-F78 HydrophobicContact CG2-CD2 3.98Å; V42-F78 HydrophobicContact CG2-CE2 3.84Å; V42-L123 HydrophobicContact CG1-CD1 4.1Å; V42-L123 HydrophobicContact CG1-CD2 3.81Å
43L94.6Very high91.2Very high0 Ų022.8 Ų22.80%011%0.109CC..Hα-helixtrans-66.7-35.1-179.1-64.4-179.6000113.1R39 I40 C45 V46 E47 L102 W115 F116 Q119 E120 L123R39-L43 HydrophobicContact CG-CD1 4.45Å; R39-L43 HydrophobicContact CG-CG 4.42Å; R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 2.75Å; I40-L43 PolarHBondContact O-N 2.86Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-V46 WeakPolarHBondContact O-CB 3.37Å; L43-V46 PolarHBondContact O-N 3.4Å; L43-E47 PolarHBondContact O-N 2.77Å; L43-L102 HydrophobicContact CD1-CD1 3.94Å; L43-W115 HydrophobicContact CB-CH2 3.67Å; L43-W115 HydrophobicContact CB-CZ2 4.38Å; L43-W115 HydrophobicContact CB-CZ3 4.26Å; L43-W115 HydrophobicContact CD1-CH2 4.46Å; L43-W115 HydrophobicContact CD1-CZ3 4.24Å; L43-F116 HydrophobicContact CD1-CD2 3.61Å; L43-F116 HydrophobicContact CD1-CE2 3.61Å; L43-Q119 HydrophobicContact CB-CB 3.91Å; L43-Q119 HydrophobicContact CB-CG 4.44Å; L43-Q119 HydrophobicContact CD2-CB 3.84Å; L43-Q119 HydrophobicContact CG-CB 4.32Å; L43-E120 WeakPolarHBondContact CD2-OE2 3.47Å; L43-L123 HydrophobicContact CD2-CB 4.43Å; L43-L123 HydrophobicContact CD2-CD2 3.98Å
44K90.2Very high91.4Very high39 Ų3926.7 Ų26.717%0.1713%0.13CC..Hα-helixtrans-67.2-33.5171.7-74.4-179.2175.3179.60112.5I40 R41 V42 A48 W115 L261I40-K44 HydrophobicContact CG2-CD 4.19Å; I40-K44 HydrophobicContact CG2-CG 4.39Å; I40-K44 WeakPolarHBondContact O-CB 3.49Å; I40-K44 WeakPolarHBondContact O-CG 3.22Å; I40-K44 PolarHBondContact O-N 2.98Å; R41-K44 PolarHBondContact O-N 3.07Å; V42-K44 PolarHBondContact O-N 3.31Å; K44-A48 WeakPolarHBondContact O-CB 3.32Å; K44-A48 PolarHBondContact O-N 3.25Å; K44-W115 HydrophobicContact CG-CH2 4.26Å; K44-W115 HydrophobicContact CG-CZ2 4.03Å; K44-L261 HydrophobicContact CD-CD1 4.29Å
45C91.3Very high91.4Very high15 Ų1527.3 Ų27.310%0.10113%0.127CC..Hα-helixtrans-66-44.4171.9179.10000111.4R41 V42 L43 E47 A48 V49 E67 L68 I71R41-C45 WeakPolarHBondContact O-CB 3.46Å; R41-C45 PolarHBondContact O-N 3.32Å; V42-C45 WeakPolarHBondContact O-CA 3.5Å; V42-C45 VanDerWaalsContact O-CB 3.28Å; V42-C45 WeakPolarHBondContact O-CB 3.31Å; V42-C45 PolarHBondContact O-N 3.26Å; V42-C45 VanDerWaalsContact O-N 3.11Å; L43-C45 VanDerWaalsContact C-N 3.32Å; C45-E47 VanDerWaalsContact C-N 3.31Å; C45-E47 PolarHBondContact O-N 2.97Å; C45-A48 PolarHBondContact O-N 3.21Å; C45-A48 VanDerWaalsContact O-N 3.17Å; C45-V49 WeakPolarHBondContact O-CG2 3.26Å; C45-V49 PolarHBondContact O-N 2.78Å; C45-E67 WeakPolarHBondContact SG-CB 3.34Å; C45-L68 HydrophobicContact CB-CD2 4.13Å; C45-I71 HydrophobicContact CB-CD1 3.68Å
46V94.6Very high91.1Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-56.4-47.4174.3175.80000110.5V42 L43 A48 G50 M64 D122 L123V42-V46 VanDerWaalsContact O-CG2 3.3Å; V42-V46 WeakPolarHBondContact O-CG2 3.43Å; V42-V46 PolarHBondContact O-N 3.32Å; L43-V46 WeakPolarHBondContact O-CB 3.37Å; L43-V46 PolarHBondContact O-N 3.4Å; V46-A48 PolarHBondContact O-N 3.38Å; V46-G50 PolarHBondContact O-N 2.86Å; V46-M64 HydrophobicContact CB-CE 4.29Å; V46-M64 HydrophobicContact CG2-CE 3.56Å; V46-M64 HydrophobicContact CG2-SD 4.48Å; V46-D122 HydrophobicContact CG1-CB 3.7Å; V46-L123 HydrophobicContact CG2-CB 4.02Å; V46-L123 HydrophobicContact CG2-CD1 3.98Å; V46-L123 HydrophobicContact CG2-CG 4.49Å
47E92.5Very high91.1Very high11 Ų1130.9 Ų30.95%0.05116%0.157CC..Hα-helixtrans-58-48.7175.5-179.1-176-113.800111.1L43 C45 Q51 W115 Q119 H427L43-E47 PolarHBondContact O-N 2.77Å; C45-E47 VanDerWaalsContact C-N 3.31Å; C45-E47 PolarHBondContact O-N 2.97Å; E47-Q51 WeakPolarHBondContact O-CG 3.41Å; E47-Q51 PolarHBondContact O-N 3.41Å; E47-W115 PolarHBondContact OE1-NE1 3.31Å; E47-Q119 HydrophobicContact CB-CG 4.39Å; E47-H427 IonicContact OE2-CD2 2.77Å; E47-H427 IonicContact OE2-CE1 3.69Å; E47-H427 IonicContact OE2-NE2 3.43Å; E47-H427 PolarHBondContact OE2-NE2 2.99Å
48A89.2Confident91.2Very high6 Ų637.6 Ų37.65%0.0519%0.185CC..Hα-helixtrans-62.4-46.8-17700000112.4K44 C45 V46 Q51 R431 T449K44-A48 WeakPolarHBondContact O-CB 3.32Å; K44-A48 PolarHBondContact O-N 3.25Å; C45-A48 PolarHBondContact O-N 3.21Å; C45-A48 VanDerWaalsContact O-N 3.17Å; V46-A48 PolarHBondContact O-N 3.38Å; A48-Q51 PolarHBondContact O-N 2.87Å; A48-R431 PolarHBondContact O-NH1 2.83Å; A48-T449 HydrophobicContact CB-CG2 4.48Å
49V93Very high91.3Very high1 Ų141.8 Ų41.81%0.00621%0.209CC..Hα-helixtrans-70.8-41.3-179.2178.20000111.1C45 Q51 D52 Y53 Y60 K63 M64 E67C45-V49 WeakPolarHBondContact O-CG2 3.26Å; C45-V49 PolarHBondContact O-N 2.78Å; V49-Q51 PolarHBondContact O-N 2.85Å; V49-Q51 VanDerWaalsContact O-N 3.1Å; V49-D52 PolarHBondContact O-N 3.23Å; V49-Y53 HydrophobicContact CG1-CD2 3.97Å; V49-Y53 PolarHBondContact O-N 3.48Å; V49-Y60 HydrophobicContact CB-CE2 4.47Å; V49-Y60 HydrophobicContact CG1-CD2 3.81Å; V49-Y60 HydrophobicContact CG1-CE2 3.92Å; V49-K63 HydrophobicContact CG1-CB 4.08Å; V49-K63 HydrophobicContact CG1-CG 3.97Å; V49-K63 HydrophobicContact CG2-CG 4.27Å; V49-M64 HydrophobicContact CB-CG 4.38Å; V49-M64 HydrophobicContact CB-SD 3.77Å; V49-M64 HydrophobicContact CG1-CG 3.84Å; V49-M64 HydrophobicContact CG1-SD 3.92Å; V49-M64 HydrophobicContact CG2-SD 4.09Å; V49-E67 HydrophobicContact CG2-CB 4.26Å; V49-E67 HydrophobicContact CG2-CG 4.04Å
50G92.4Very high91.3Very high6 Ų642 Ų426%0.06221%0.209CC..Hα-helixtrans-68.4-5.8177.400000114.9V46 R55V46-G50 PolarHBondContact O-N 2.86Å; G50-R55 PolarHBondContact O-NH1 3.25Å
51Q88.2Confident91.3Very high69 Ų6943 Ų4332%0.32222%0.215SC..Hα-helixtrans-94.1-24.3171.2-70.8-76.8-29.100112.6E47 A48 V49 L428E47-Q51 WeakPolarHBondContact O-CG 3.41Å; E47-Q51 PolarHBondContact O-N 3.41Å; A48-Q51 PolarHBondContact O-N 2.87Å; V49-Q51 PolarHBondContact O-N 2.85Å; V49-Q51 VanDerWaalsContact O-N 3.1Å; Q51-L428 HydrophobicContact CG-CD1 3.78Å
52D88.2Confident91.5Very high28 Ų2842.2 Ų42.215%0.1522%0.217CC..Hα-helixtrans-97.6-29.9-177.3-68.1-31.7000111.6V49 R431 V442V49-D52 PolarHBondContact O-N 3.23Å; D52-R431 IonicContact OD1-CZ 2.74Å; D52-R431 IonicContact OD1-NH2 3.8Å; D52-R431 PolarHBondContact OD1-NH2 3.3Å; D52-R431 IonicContact OD2-CZ 3.47Å; D52-R431 IonicContact OD2-NH1 2.58Å; D52-R431 IonicContact OD2-NH2 2.78Å; D52-R431 PolarHBondContact OD2-NH2 3.18Å; D52-R431 VanDerWaalsContact OD2-NH2 3.14Å; D52-V442 HydrophobicContact CB-CG1 3.71Å
53Y91.6Very high91.4Very high32 Ų3243.9 Ų43.913%0.12523%0.225CC..SBendtrans-128.9149.4-176.5-54.8-95.5000112.1V49 R55 D59 K63 D443 S446V49-Y53 HydrophobicContact CG1-CD2 3.97Å; V49-Y53 PolarHBondContact O-N 3.48Å; Y53-R55 PolarHBondContact O-N 3.06Å; Y53-D59 HydrophobicContact CD1-CB 3.98Å; Y53-D59 HydrophobicContact CE1-CB 4.5Å; Y53-K63 HydrophobicContact CD2-CB 4.31Å; Y53-K63 HydrophobicContact CD2-CG 4.1Å; Y53-K63 HydrophobicContact CE2-CB 4.16Å; Y53-K63 HydrophobicContact CE2-CD 4.04Å; Y53-K63 HydrophobicContact CE2-CG 3.61Å; Y53-D443 PolarHBondContact OH-OD1 2.67Å; Y53-S446 WeakPolarHBondContact CE2-OG 3.39Å; Y53-S446 WeakPolarHBondContact OH-CB 3.49Å; Y53-S446 PolarHBondContact OH-OG 2.94Å
54I90.9Very high91.3Very high135 Ų13543.9 Ų43.969%0.69223%0.225SC*.  trans-71.7119.6177.7-58.8173.7000109.1G56 T57 Y60I54-G56 PolarHBondContact O-N 3.48Å; I54-T57 HydrophobicContact CB-CG2 3.83Å; I54-T57 HydrophobicContact CG2-CG2 3.96Å; I54-T57 WeakPolarHBondContact O-CB 3.44Å; I54-T57 WeakPolarHBondContact O-CG2 3.16Å; I54-T57 PolarHBondContact O-N 3.01Å; I54-T57 PolarHBondContact O-OG1 3.06Å; I54-Y60 VanDerWaalsContact O-CB 3.23Å; I54-Y60 WeakPolarHBondContact O-CB 3.32Å
55R89.4Confident91.5Very high89 Ų8944.3 Ų44.334%0.33623%0.229SC..THydrogen-bonded Turntrans-55.4134.3-178.8-65.8170.8-179.466.94.1112G50 Y53 T57 Y60 D122G50-R55 PolarHBondContact O-NH1 3.25Å; Y53-R55 PolarHBondContact O-N 3.06Å; R55-T57 VanDerWaalsContact C-N 3.29Å; R55-Y60 HydrophobicContact CG-CD2 4.35Å; R55-Y60 HydrophobicContact CG-CE2 3.94Å; R55-D122 IonicContact CZ-OD2 3.26Å; R55-D122 VanDerWaalsContact NE-CG 3.29Å; R55-D122 IonicContact NE-OD1 2.7Å; R55-D122 IonicContact NE-OD2 3.26Å; R55-D122 PolarHBondContact NE-OD2 3.2Å; R55-D122 IonicContact NH2-OD2 2.65Å; R55-D122 PolarHBondContact NH2-OD2 3.47Å
56G85.3Confident91.5Very high38 Ų3846.9 Ų46.939%0.39224%0.244SC..THydrogen-bonded Turntrans81.23.5178.500000114.8I54I54-G56 PolarHBondContact O-N 3.48Å
57T90.6Very high91.4Very high50 Ų5047.5 Ų47.531%0.30725%0.247SC..SBendtrans-81.4158.4164.662.10000110.4I54 R55 D59 Y60 D61I54-T57 HydrophobicContact CB-CG2 3.83Å; I54-T57 HydrophobicContact CG2-CG2 3.96Å; I54-T57 WeakPolarHBondContact O-CB 3.44Å; I54-T57 WeakPolarHBondContact O-CG2 3.16Å; I54-T57 PolarHBondContact O-N 3.01Å; I54-T57 PolarHBondContact O-OG1 3.06Å; R55-T57 VanDerWaalsContact C-N 3.29Å; T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 2.89Å; T57-Y60 WeakPolarHBondContact O-CB 3.44Å; T57-Y60 PolarHBondContact O-N 3.43Å; T57-Y60 WeakPolarHBondContact OG1-CB 3.34Å; T57-Y60 PolarHBondContact OG1-N 3.22Å; T57-D61 PolarHBondContact O-N 3.29Å; T57-D61 VanDerWaalsContact O-N 3.09Å
58K91.1Very high91.4Very high154 Ų15447 Ų4767%0.6724%0.244SC*.Hα-helixtrans-60.1-40176.1-172.2178.4176.4-176.10112.2Y60 D61 D62K58-Y60 VanDerWaalsContact C-N 3.31Å; K58-Y60 PolarHBondContact O-N 3.48Å; K58-D61 PolarHBondContact O-N 2.78Å; K58-D61 VanDerWaalsContact O-N 3.13Å; K58-D62 WeakPolarHBondContact O-CB 3.38Å; K58-D62 PolarHBondContact O-N 3.14Å
59D92.6Very high91.5Very high108 Ų10849.4 Ų49.458%0.57826%0.259SS*.Hα-helixtrans-61.7-40.6178.1-59.2-27.3000111.7Y53 T57 K63Y53-D59 HydrophobicContact CD1-CB 3.98Å; Y53-D59 HydrophobicContact CE1-CB 4.5Å; T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 2.89Å; D59-K63 WeakPolarHBondContact O-CB 3.44Å; D59-K63 PolarHBondContact O-N 3.25Å
60Y94.2Very high91.3Very high4 Ų455.7 Ų55.72%0.01629%0.286CS..Hα-helixtrans-62.2-45.4173.3172.5-89.5000111.5V49 I54 R55 T57 K58 K63 M64 F126V49-Y60 HydrophobicContact CB-CE2 4.47Å; V49-Y60 HydrophobicContact CG1-CD2 3.81Å; V49-Y60 HydrophobicContact CG1-CE2 3.92Å; I54-Y60 VanDerWaalsContact O-CB 3.23Å; I54-Y60 WeakPolarHBondContact O-CB 3.32Å; R55-Y60 HydrophobicContact CG-CD2 4.35Å; R55-Y60 HydrophobicContact CG-CE2 3.94Å; T57-Y60 WeakPolarHBondContact O-CB 3.44Å; T57-Y60 PolarHBondContact O-N 3.43Å; T57-Y60 WeakPolarHBondContact OG1-CB 3.34Å; T57-Y60 PolarHBondContact OG1-N 3.22Å; K58-Y60 VanDerWaalsContact C-N 3.31Å; K58-Y60 PolarHBondContact O-N 3.48Å; Y60-K63 PolarHBondContact O-N 2.97Å; Y60-M64 HydrophobicContact CD1-CG 3.99Å; Y60-M64 HydrophobicContact CD2-CG 4.35Å; Y60-M64 HydrophobicContact CE1-CG 3.57Å; Y60-M64 HydrophobicContact CE2-CG 3.93Å; Y60-M64 HydrophobicContact CE2-SD 4.31Å; Y60-M64 HydrophobicContact CG-CG 4.36Å; Y60-M64 VanDerWaalsContact O-CB 3.24Å; Y60-M64 WeakPolarHBondContact O-CB 3.49Å; Y60-M64 WeakPolarHBondContact O-CG 3.46Å; Y60-M64 PolarHBondContact O-N 2.94Å; Y60-F126 HydrophobicContact CE1-CB 4.35Å; Y60-F126 HydrophobicContact CE1-CD2 4.43Å
61D93.2Very high90.9Very high22 Ų2256.6 Ų56.612%0.11829%0.289CS..Hα-helixtrans-66.1-46.5-178.5-70-15.4000111.9T57 K58 K63 M64 I65 F126T57-D61 PolarHBondContact O-N 3.29Å; T57-D61 VanDerWaalsContact O-N 3.09Å; K58-D61 PolarHBondContact O-N 2.78Å; K58-D61 VanDerWaalsContact O-N 3.13Å; D61-K63 VanDerWaalsContact C-N 3.32Å; D61-K63 PolarHBondContact O-N 3.16Å; D61-M64 WeakPolarHBondContact O-CB 3.47Å; D61-M64 PolarHBondContact O-N 3.46Å; D61-I65 VanDerWaalsContact O-CG1 3.31Å; D61-I65 WeakPolarHBondContact O-CG1 3.48Å; D61-I65 PolarHBondContact O-N 2.61Å; D61-F126 HydrophobicContact CB-CE2 4.29Å
62D93.4Very high90.3Very high79 Ų7956.6 Ų56.642%0.42230%0.296SS..Hα-helixtrans-62.1-41.2178.1-72.6-17.8000110.8K58 T66K58-D62 WeakPolarHBondContact O-CB 3.38Å; K58-D62 PolarHBondContact O-N 3.14Å; D62-T66 WeakPolarHBondContact O-CB 3.48Å; D62-T66 PolarHBondContact O-N 2.91Å; D62-T66 VanDerWaalsContact O-N 3.08Å; D62-T66 PolarHBondContact O-OG1 3.49Å
63K92.5Very high90Very high35 Ų3557.9 Ų57.915%0.15232%0.316CS..Hα-helixtrans-68.3-43.5175.6-168.475.6-147.9-157.60112V49 Y53 D59 Y60 D61 I65 T66 E67 S446V49-K63 HydrophobicContact CG1-CB 4.08Å; V49-K63 HydrophobicContact CG1-CG 3.97Å; V49-K63 HydrophobicContact CG2-CG 4.27Å; Y53-K63 HydrophobicContact CD2-CB 4.31Å; Y53-K63 HydrophobicContact CD2-CG 4.1Å; Y53-K63 HydrophobicContact CE2-CB 4.16Å; Y53-K63 HydrophobicContact CE2-CD 4.04Å; Y53-K63 HydrophobicContact CE2-CG 3.61Å; D59-K63 WeakPolarHBondContact O-CB 3.44Å; D59-K63 PolarHBondContact O-N 3.25Å; Y60-K63 PolarHBondContact O-N 2.97Å; D61-K63 VanDerWaalsContact C-N 3.32Å; D61-K63 PolarHBondContact O-N 3.16Å; K63-I65 VanDerWaalsContact C-N 3.32Å; K63-I65 PolarHBondContact O-N 2.89Å; K63-T66 PolarHBondContact O-N 2.73Å; K63-E67 HydrophobicContact CD-CG 4.46Å; K63-E67 WeakPolarHBondContact CE-OE1 3.42Å; K63-E67 HydrophobicContact CG-CG 4.31Å; K63-E67 IonicContact NZ-OE1 3.15Å; K63-E67 PolarHBondContact NZ-OE1 3.15Å; K63-E67 PolarHBondContact O-N 2.87Å; K63-S446 VanDerWaalsContact CD-OG 3.24Å; K63-S446 WeakPolarHBondContact CD-OG 3.23Å; K63-S446 WeakPolarHBondContact CE-OG 3.37Å; K63-S446 PolarHBondContact NZ-O 3.22Å; K63-S446 PolarHBondContact NZ-OG 2.95Å
64M93.9Very high89.8Confident0 Ų057 Ų570%031%0.313CS..Hα-helixtrans-56.2-46.6175.5-85.4-63.4-72.900111.4V46 V49 Y60 D61 T66 E67 L68 F126V46-M64 HydrophobicContact CB-CE 4.29Å; V46-M64 HydrophobicContact CG2-CE 3.56Å; V46-M64 HydrophobicContact CG2-SD 4.48Å; V49-M64 HydrophobicContact CB-CG 4.38Å; V49-M64 HydrophobicContact CB-SD 3.77Å; V49-M64 HydrophobicContact CG1-CG 3.84Å; V49-M64 HydrophobicContact CG1-SD 3.92Å; V49-M64 HydrophobicContact CG2-SD 4.09Å; Y60-M64 HydrophobicContact CD1-CG 3.99Å; Y60-M64 HydrophobicContact CD2-CG 4.35Å; Y60-M64 HydrophobicContact CE1-CG 3.57Å; Y60-M64 HydrophobicContact CE2-CG 3.93Å; Y60-M64 HydrophobicContact CE2-SD 4.31Å; Y60-M64 HydrophobicContact CG-CG 4.36Å; Y60-M64 VanDerWaalsContact O-CB 3.24Å; Y60-M64 WeakPolarHBondContact O-CB 3.49Å; Y60-M64 WeakPolarHBondContact O-CG 3.46Å; Y60-M64 PolarHBondContact O-N 2.94Å; D61-M64 WeakPolarHBondContact O-CB 3.47Å; D61-M64 PolarHBondContact O-N 3.46Å; M64-T66 VanDerWaalsContact C-N 3.34Å; M64-T66 PolarHBondContact O-N 2.73Å; M64-E67 PolarHBondContact O-N 3.34Å; M64-L68 HydrophobicContact CE-CD1 3.76Å; M64-L68 HydrophobicContact CE-CG 4.28Å; M64-L68 VanDerWaalsContact O-CB 3.24Å; M64-L68 WeakPolarHBondContact O-CB 3.48Å; M64-L68 WeakPolarHBondContact O-CG 3.37Å; M64-L68 PolarHBondContact O-N 2.92Å; M64-F126 HydrophobicContact CB-CD2 3.92Å; M64-F126 HydrophobicContact CB-CE2 3.66Å; M64-F126 HydrophobicContact CB-CG 4.5Å; M64-F126 HydrophobicContact CB-CZ 4.04Å; M64-F126 HydrophobicContact CE-CD1 4.16Å; M64-F126 HydrophobicContact CE-CG 4.21Å; M64-F126 HydrophobicContact CG-CD2 4.25Å; M64-F126 HydrophobicContact CG-CE2 4.48Å
65I93.5Very high89.6Confident49 Ų4950.6 Ų50.625%0.25128%0.28SS..Hα-helixtrans-60-46.8176.6-67.9167.2000110.5D61 K63 T69 T79 F126D61-I65 VanDerWaalsContact O-CG1 3.31Å; D61-I65 WeakPolarHBondContact O-CG1 3.48Å; D61-I65 PolarHBondContact O-N 2.61Å; K63-I65 VanDerWaalsContact C-N 3.32Å; K63-I65 PolarHBondContact O-N 2.89Å; I65-T69 HydrophobicContact CG2-CG2 4.48Å; I65-T69 WeakPolarHBondContact O-CB 3.18Å; I65-T69 WeakPolarHBondContact O-CG2 3.44Å; I65-T69 PolarHBondContact O-N 2.89Å; I65-T69 VanDerWaalsContact O-N 3.09Å; I65-T69 PolarHBondContact O-OG1 2.99Å; I65-T79 HydrophobicContact CB-CG2 4.49Å; I65-T79 HydrophobicContact CG1-CG2 4.34Å; I65-F126 HydrophobicContact CG1-CE2 4.11Å; I65-F126 HydrophobicContact CG1-CZ 3.73Å
66T92Very high89.6Confident69 Ų6951.9 Ų51.942%0.42329%0.288SS..Hα-helixtrans-63-44.7-178.2-59.40000112.5D62 K63 M64 T69D62-T66 WeakPolarHBondContact O-CB 3.48Å; D62-T66 PolarHBondContact O-N 2.91Å; D62-T66 VanDerWaalsContact O-N 3.08Å; D62-T66 PolarHBondContact O-OG1 3.49Å; K63-T66 PolarHBondContact O-N 2.73Å; M64-T66 VanDerWaalsContact C-N 3.34Å; M64-T66 PolarHBondContact O-N 2.73Å; T66-T69 PolarHBondContact O-OG1 3.19Å
67E91.3Very high89.9Confident13 Ų1350.3 Ų50.36%0.06127%0.271CS..Hα-helixtrans-77.4-39.4-178.2-64.2-54137.100112.4C45 V49 K63 M64 T69 K70 G447C45-E67 WeakPolarHBondContact SG-CB 3.34Å; V49-E67 HydrophobicContact CG2-CB 4.26Å; V49-E67 HydrophobicContact CG2-CG 4.04Å; K63-E67 HydrophobicContact CD-CG 4.46Å; K63-E67 WeakPolarHBondContact CE-OE1 3.42Å; K63-E67 HydrophobicContact CG-CG 4.31Å; K63-E67 IonicContact NZ-OE1 3.15Å; K63-E67 PolarHBondContact NZ-OE1 3.15Å; K63-E67 PolarHBondContact O-N 2.87Å; M64-E67 PolarHBondContact O-N 3.34Å; E67-T69 VanDerWaalsContact C-N 3.31Å; E67-T69 PolarHBondContact O-N 2.9Å; E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 PolarHBondContact O-N 2.97Å; E67-K70 VanDerWaalsContact O-N 3.17Å; E67-K70 IonicContact OE1-NZ 2.81Å; E67-K70 PolarHBondContact OE1-NZ 2.96Å; E67-K70 WeakPolarHBondContact OE2-CD 3.45Å; E67-K70 IonicContact OE2-NZ 3.93Å; E67-K70 PolarHBondContact OE2-NZ 3.14Å; E67-G447 WeakPolarHBondContact OE2-CA 3.45Å
68L92.8Very high89.9Confident0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-63.4-38.1177-70.9178.7000111.7V42 C45 M64 K70 I71 G75 F78 T79 L123 F126V42-L68 HydrophobicContact CB-CD2 4.2Å; V42-L68 HydrophobicContact CG1-CD2 3.76Å; V42-L68 HydrophobicContact CG2-CD2 4.13Å; C45-L68 HydrophobicContact CB-CD2 4.13Å; M64-L68 HydrophobicContact CE-CD1 3.76Å; M64-L68 HydrophobicContact CE-CG 4.28Å; M64-L68 VanDerWaalsContact O-CB 3.24Å; M64-L68 WeakPolarHBondContact O-CB 3.48Å; M64-L68 WeakPolarHBondContact O-CG 3.37Å; M64-L68 PolarHBondContact O-N 2.92Å; L68-K70 PolarHBondContact O-N 3.27Å; L68-I71 HydrophobicContact CD2-CD1 4.01Å; L68-I71 WeakPolarHBondContact O-CB 3.37Å; L68-I71 PolarHBondContact O-N 3.13Å; L68-G75 WeakPolarHBondContact O-CA 3.32Å; L68-F78 HydrophobicContact CD1-CB 4.36Å; L68-T79 HydrophobicContact CB-CG2 3.69Å; L68-T79 HydrophobicContact CD1-CG2 3.77Å; L68-T79 HydrophobicContact CG-CG2 4.38Å; L68-L123 HydrophobicContact CD1-CD1 4.49Å; L68-F126 HydrophobicContact CD1-CE1 4.03Å
69T91.2Very high89.8Confident57 Ų5741.4 Ų41.435%0.3523%0.229SC..THydrogen-bonded Turntrans-66.9-16.6178.651.30000114.1I65 T66 E67 I71 K76I65-T69 HydrophobicContact CG2-CG2 4.48Å; I65-T69 WeakPolarHBondContact O-CB 3.18Å; I65-T69 WeakPolarHBondContact O-CG2 3.44Å; I65-T69 PolarHBondContact O-N 2.89Å; I65-T69 VanDerWaalsContact O-N 3.09Å; I65-T69 PolarHBondContact O-OG1 2.99Å; T66-T69 PolarHBondContact O-OG1 3.19Å; E67-T69 VanDerWaalsContact C-N 3.31Å; E67-T69 PolarHBondContact O-N 2.9Å; T69-I71 VanDerWaalsContact C-N 3.34Å; T69-K76 HydrophobicContact CG2-CG 4.42Å
70K88.6Confident89.4Confident133 Ų13337.7 Ų37.758%0.57821%0.212SC*.THydrogen-bonded Turntrans-76.2-20.8170.3-64170.2-174.3172.80112.8E67 L68 S72E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 PolarHBondContact O-N 2.97Å; E67-K70 VanDerWaalsContact O-N 3.17Å; E67-K70 IonicContact OE1-NZ 2.81Å; E67-K70 PolarHBondContact OE1-NZ 2.96Å; E67-K70 WeakPolarHBondContact OE2-CD 3.45Å; E67-K70 IonicContact OE2-NZ 3.93Å; E67-K70 PolarHBondContact OE2-NZ 3.14Å; L68-K70 PolarHBondContact O-N 3.27Å; K70-S72 PolarHBondContact O-N 3.37Å
71I85.2Confident88.6Confident25 Ų2538.7 Ų38.713%0.12822%0.219CC..SBendtrans-82.666.5-179.4-48.3176.1000109.7R41 V42 C45 L68 T69 G75R41-I71 HydrophobicContact CB-CD1 4.4Å; R41-I71 HydrophobicContact CB-CG2 3.75Å; V42-I71 HydrophobicContact CG2-CD1 4.17Å; V42-I71 HydrophobicContact CG2-CG2 4.49Å; C45-I71 HydrophobicContact CB-CD1 3.68Å; L68-I71 HydrophobicContact CD2-CD1 4.01Å; L68-I71 WeakPolarHBondContact O-CB 3.37Å; L68-I71 PolarHBondContact O-N 3.13Å; T69-I71 VanDerWaalsContact C-N 3.34Å; I71-G75 PolarHBondContact O-N 3.06Å
72S75.4Confident87.5Confident68 Ų6838 Ų3848%0.47622%0.215SC..THydrogen-bonded Turntrans52.1-162.4178.4-56.30000112.9K70 F74K70-S72 PolarHBondContact O-N 3.37Å; S72-F74 PolarHBondContact O-N 3.44Å
73G81.4Confident86.2Confident55 Ų5537 Ų3757%0.56722%0.215SC*.THydrogen-bonded Turntrans-66.3-20.3170.500000114K76G73-K76 WeakPolarHBondContact O-CB 3.33Å; G73-K76 PolarHBondContact O-N 3.01Å
74F87.6Confident85Confident14 Ų1437.9 Ų37.96%0.06123%0.225CC..THydrogen-bonded Turntrans-68.7-36.8-174.5-162.2-90.1000112.8Y35 H38 R39 V42 S72 K76 I77 F78 K94Y35-F74 HydrophobicContact CD1-CE2 4.07Å; Y35-F74 HydrophobicContact CG-CE2 4.48Å; H38-F74 HydrophobicContact CB-CB 3.97Å; H38-F74 HydrophobicContact CB-CD1 3.5Å; H38-F74 HydrophobicContact CB-CD2 3.79Å; H38-F74 HydrophobicContact CB-CE1 3.81Å; H38-F74 HydrophobicContact CB-CE2 4.09Å; H38-F74 HydrophobicContact CB-CG 3.48Å; H38-F74 VanDerWaalsContact CB-CG 3.48Å; H38-F74 HydrophobicContact CB-CZ 4.11Å; H38-F74 AromaticContact CG-CG 4Å; R39-F74 HydrophobicContact CB-CE1 4.19Å; V42-F74 HydrophobicContact CG2-CD1 4.25Å; S72-F74 PolarHBondContact O-N 3.44Å; F74-K76 PolarHBondContact O-N 3.14Å; F74-I77 HydrophobicContact CD2-CD1 3.79Å; F74-I77 HydrophobicContact CE2-CD1 4.03Å; F74-I77 HydrophobicContact CG-CD1 4.06Å; F74-I77 HydrophobicContact CZ-CD1 4.5Å; F74-I77 WeakPolarHBondContact O-CB 3.09Å; F74-I77 VanDerWaalsContact O-CG1 3.27Å; F74-I77 WeakPolarHBondContact O-CG1 3.33Å; F74-I77 PolarHBondContact O-N 2.98Å; F74-I77 VanDerWaalsContact O-N 3.11Å; F74-F78 AromaticContact CD1-CE2 3.68Å; F74-F78 HydrophobicContact CD1-CE2 3.68Å; F74-F78 HydrophobicContact CD1-CZ 4.41Å; F74-F78 AromaticContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CE1-CE2 3.5Å; F74-F78 VanDerWaalsContact CE1-CE2 3.5Å; F74-F78 AromaticContact CE1-CZ 3.78Å; F74-F78 HydrophobicContact CE1-CZ 3.78Å; F74-F78 HydrophobicContact CZ-CZ 4.5Å; F74-K94 HydrophobicContact CE2-CB 4Å
75G87.2Confident83.5Confident0 Ų043.4 Ų43.40%025%0.254CS..THydrogen-bonded Turntrans-63.7-27.4177.800000113.9L68 I71 I77 F78L68-G75 WeakPolarHBondContact O-CA 3.32Å; I71-G75 PolarHBondContact O-N 3.06Å; G75-I77 PolarHBondContact O-N 3.03Å; G75-F78 PolarHBondContact O-N 3.02Å; G75-F78 VanDerWaalsContact O-N 3.14Å
76K88.8Confident82.5Confident116 Ų11649.8 Ų49.850%0.50428%0.28SS..Hα-helixtrans-63.2-22.2175.6-64.7-178178.6178.90113.1T69 G73 F74 F78 T79 S80T69-K76 HydrophobicContact CG2-CG 4.42Å; G73-K76 WeakPolarHBondContact O-CB 3.33Å; G73-K76 PolarHBondContact O-N 3.01Å; F74-K76 PolarHBondContact O-N 3.14Å; K76-F78 PolarHBondContact O-N 2.89Å; K76-T79 PolarHBondContact O-N 3.33Å; K76-S80 WeakPolarHBondContact O-CB 3.46Å; K76-S80 PolarHBondContact O-N 3.5Å; K76-S80 PolarHBondContact O-OG 3.43Å
77I90.9Very high81.9Confident5 Ų551.7 Ų51.73%0.02629%0.288CS..Hα-helixtrans-60-32.9176.6-61.8174000111.1R15 F74 G75 D91 K94 D95R15-I77 PolarHBondContact NH2-O 3.38Å; R15-I77 VanDerWaalsContact NH2-O 3.14Å; F74-I77 HydrophobicContact CD2-CD1 3.79Å; F74-I77 HydrophobicContact CE2-CD1 4.03Å; F74-I77 HydrophobicContact CG-CD1 4.06Å; F74-I77 HydrophobicContact CZ-CD1 4.5Å; F74-I77 WeakPolarHBondContact O-CB 3.09Å; F74-I77 VanDerWaalsContact O-CG1 3.27Å; F74-I77 WeakPolarHBondContact O-CG1 3.33Å; F74-I77 PolarHBondContact O-N 2.98Å; F74-I77 VanDerWaalsContact O-N 3.11Å; G75-I77 PolarHBondContact O-N 3.03Å; I77-D91 HydrophobicContact CG1-CB 4.05Å; I77-D91 HydrophobicContact CG2-CB 4.19Å; I77-D91 WeakPolarHBondContact CG2-O 3.38Å; I77-K94 HydrophobicContact CD1-CB 3.83Å; I77-K94 HydrophobicContact CD1-CD 4.06Å; I77-D95 HydrophobicContact CG2-CB 4Å
78F91.5Very high81.6Confident3 Ų351.5 Ų51.51%0.01329%0.289CS..Hα-helixtrans-98.6-17.5-174.5-53.8-78.5000113.7V42 L68 F74 G75 K76 D95 L123 R127V42-F78 HydrophobicContact CB-CE2 4.42Å; V42-F78 HydrophobicContact CG1-CD2 4.02Å; V42-F78 HydrophobicContact CG1-CE2 4.14Å; V42-F78 HydrophobicContact CG1-CG 4.41Å; V42-F78 HydrophobicContact CG2-CD2 3.98Å; V42-F78 HydrophobicContact CG2-CE2 3.84Å; L68-F78 HydrophobicContact CD1-CB 4.36Å; F74-F78 AromaticContact CD1-CE2 3.68Å; F74-F78 HydrophobicContact CD1-CE2 3.68Å; F74-F78 HydrophobicContact CD1-CZ 4.41Å; F74-F78 AromaticContact CE1-CE2 3.5Å; F74-F78 HydrophobicContact CE1-CE2 3.5Å; F74-F78 VanDerWaalsContact CE1-CE2 3.5Å; F74-F78 AromaticContact CE1-CZ 3.78Å; F74-F78 HydrophobicContact CE1-CZ 3.78Å; F74-F78 HydrophobicContact CZ-CZ 4.5Å; G75-F78 PolarHBondContact O-N 3.02Å; G75-F78 VanDerWaalsContact O-N 3.14Å; K76-F78 PolarHBondContact O-N 2.89Å; F78-D95 WeakPolarHBondContact CE1-OD1 3.27Å; F78-L123 HydrophobicContact CB-CD1 4.14Å; F78-L123 HydrophobicContact CD1-CD1 4.34Å; F78-L123 HydrophobicContact CD1-CD2 3.91Å; F78-L123 HydrophobicContact CD1-CG 4.4Å; F78-L123 HydrophobicContact CE1-CD2 4.04Å; F78-L123 HydrophobicContact CG-CD1 4.33Å; F78-L123 HydrophobicContact CG-CD2 4.48Å; F78-R127 HydrophobicContact CB-CG 4.48Å
79T89.4Confident81.4Confident14 Ų1459.3 Ų59.39%0.08632%0.322CS..Hα-helixtrans-100-23.5-179.860.60000113.3I65 L68 K76 P81 F126 N130I65-T79 HydrophobicContact CB-CG2 4.49Å; I65-T79 HydrophobicContact CG1-CG2 4.34Å; L68-T79 HydrophobicContact CB-CG2 3.69Å; L68-T79 HydrophobicContact CD1-CG2 3.77Å; L68-T79 HydrophobicContact CG-CG2 4.38Å; K76-T79 PolarHBondContact O-N 3.33Å; T79-P81 WeakPolarHBondContact O-CD 3.21Å; T79-F126 HydrophobicContact CG2-CE1 4.32Å; T79-F126 HydrophobicContact CG2-CZ 4.35Å; T79-N130 PolarHBondContact O-ND2 2.83Å
80S84.4Confident81.3Confident30 Ų3060.9 Ų60.921%0.2133%0.326CS..SBendtrans-79.7123.1-176.6-61.60000111.2R15 K76R15-S80 PolarHBondContact NH1-O 2.74Å; K76-S80 WeakPolarHBondContact O-CB 3.46Å; K76-S80 PolarHBondContact O-N 3.5Å; K76-S80 PolarHBondContact O-OG 3.43Å
81P77.1Confident81.4Confident26 Ų2655.8 Ų55.817%0.16931%0.305CS..  trans-65.4165.6171.826.4-32.3000111.4T79 S83 S84 E131T79-P81 WeakPolarHBondContact O-CD 3.21Å; P81-S83 PolarHBondContact O-N 3.37Å; P81-S84 PolarHBondContact O-N 2.92Å; P81-S84 VanDerWaalsContact O-N 3.1Å; P81-E131 WeakPolarHBondContact CA-OE2 3.45Å
82S70.3Confident81.7Confident6 Ų655.6 Ų55.64%0.04230%0.304CS..THydrogen-bonded Turntrans-64.6-4.1-177.9-58.30000113.8S84 E131S82-S84 VanDerWaalsContact C-N 3.34Å; S82-E131 VanDerWaalsContact CB-OE1 3.29Å; S82-E131 WeakPolarHBondContact CB-OE1 3.41Å; S82-E131 WeakPolarHBondContact CB-OE2 3.34Å; S82-E131 PolarHBondContact N-OE1 2.77Å; S82-E131 PolarHBondContact N-OE2 3.02Å; S82-E131 PolarHBondContact OG-OE1 3.23Å; S82-E131 PolarHBondContact OG-OE2 3.36Å
83S65.3Low82.6Confident59 Ų5955 Ų5541%0.41329%0.294SS..THydrogen-bonded Turntrans-72.8-20.517161.10000113.9P81 L85P81-S83 PolarHBondContact O-N 3.37Å; S83-L85 WeakPolarHBondContact O-CD1 3.32Å; S83-L85 PolarHBondContact O-N 3.13Å
84S67.6Low83.2Confident54 Ų5454.3 Ų54.338%0.37828%0.275SS..  trans-88.596.7177.3-176.60000111P81 S82P81-S84 PolarHBondContact O-N 2.92Å; P81-S84 VanDerWaalsContact O-N 3.1Å; S82-S84 VanDerWaalsContact C-N 3.34Å
85L62.2Low83.5Confident115 Ų11553.7 Ų53.760%0.60227%0.272SS*.  trans-84.5-14.5-174.1-82.192.5000115.5S83 N87 A88S83-L85 WeakPolarHBondContact O-CD1 3.32Å; S83-L85 PolarHBondContact O-N 3.13Å; L85-N87 PolarHBondContact O-N 3.4Å; L85-A88 PolarHBondContact O-N 3.34Å
86K71.7Confident83.9Confident184 Ų18455.2 Ų55.280%0.828%0.28SS*.THydrogen-bonded Turntrans-64.3113.8-179.2-71.1-172.4179.7-178.10108.3A88K86-A88 PolarHBondContact O-N 3.32Å
87N80.4Confident84.2Confident108 Ų10850 Ų5058%0.57826%0.258SS*.THydrogen-bonded Turntrans67.919-179.3-52.5-12.2000116.5L85 K89 E90 D91L85-N87 PolarHBondContact O-N 3.4Å; N87-K89 VanDerWaalsContact C-N 3.27Å; N87-K89 PolarHBondContact O-N 2.93Å; N87-K89 VanDerWaalsContact O-N 3.09Å; N87-E90 HydrophobicContact CB-CB 4.45Å; N87-E90 PolarHBondContact O-N 2.71Å; N87-D91 PolarHBondContact O-N 2.92Å
88A84.4Confident84.4Confident10 Ų1049.7 Ų49.78%0.08326%0.256CS..Hα-helixtrans-53.7-37.3-175.700000114.6L13 L85 K86 I92L13-A88 HydrophobicContact CD1-CB 3.99Å; L85-A88 PolarHBondContact O-N 3.34Å; K86-A88 PolarHBondContact O-N 3.32Å; A88-I92 WeakPolarHBondContact O-CB 3.3Å; A88-I92 WeakPolarHBondContact O-CD1 3.4Å; A88-I92 WeakPolarHBondContact O-CG1 3.42Å; A88-I92 PolarHBondContact O-N 2.95Å
89K88.3Confident84.6Confident163 Ų16349.6 Ų49.671%0.70926%0.256SS*.Hα-helixtrans-66.9-43.9177.3-69.8-173.4177.7-177.70112.6L13 N87 I92 H93L13-K89 HydrophobicContact CD1-CG 3.59Å; N87-K89 VanDerWaalsContact C-N 3.27Å; N87-K89 PolarHBondContact O-N 2.93Å; N87-K89 VanDerWaalsContact O-N 3.09Å; K89-I92 PolarHBondContact O-N 2.91Å; K89-H93 WeakPolarHBondContact O-CB 3.49Å; K89-H93 PolarHBondContact O-N 3.26Å
90E90Very high84.9Confident90 Ų9050.4 Ų50.442%0.42126%0.258SS..Hα-helixtrans-67-41.7178.8-171.2-171.6161.900110.6N87 H93 K94N87-E90 HydrophobicContact CB-CB 4.45Å; N87-E90 PolarHBondContact O-N 2.71Å; E90-H93 WeakPolarHBondContact O-CB 3.48Å; E90-H93 PolarHBondContact O-N 3.48Å; E90-K94 HydrophobicContact CG-CD 4.44Å; E90-K94 WeakPolarHBondContact O-CB 3.26Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.49Å; E90-K94 VanDerWaalsContact OE1-CE 3.3Å; E90-K94 WeakPolarHBondContact OE1-CE 3.44Å; E90-K94 IonicContact OE1-NZ 3.82Å; E90-K94 PolarHBondContact OE1-NZ 2.93Å
91D91.3Very high85.2Confident26 Ų2649.7 Ų49.714%0.13925%0.252CS..Hα-helixtrans-60.7-45.3175.2-77.93.1000112.3R15 I77 N87 H93 K94 D95R15-D91 IonicContact CZ-OD2 3.06Å; R15-D91 IonicContact NH1-OD2 2.62Å; R15-D91 VanDerWaalsContact NH2-CB 3.32Å; R15-D91 IonicContact NH2-OD2 2.87Å; R15-D91 PolarHBondContact NH2-OD2 3.38Å; I77-D91 HydrophobicContact CG1-CB 4.05Å; I77-D91 HydrophobicContact CG2-CB 4.19Å; I77-D91 WeakPolarHBondContact CG2-O 3.38Å; N87-D91 PolarHBondContact O-N 2.92Å; D91-H93 VanDerWaalsContact C-N 3.32Å; D91-K94 PolarHBondContact O-N 3.35Å; D91-D95 WeakPolarHBondContact O-CB 3.38Å; D91-D95 PolarHBondContact O-N 3.3Å
92I91.6Very high86Confident22 Ų2248.5 Ų48.511%0.11324%0.244CC..Hα-helixtrans-63.1-42.6176.4-71.8166000110.2L13 R15 A88 K89 D95 I96L13-I92 HydrophobicContact CB-CD1 3.86Å; R15-I92 HydrophobicContact CB-CG1 4.48Å; R15-I92 HydrophobicContact CG-CD1 4.2Å; R15-I92 HydrophobicContact CG-CG1 4.18Å; A88-I92 WeakPolarHBondContact O-CB 3.3Å; A88-I92 WeakPolarHBondContact O-CD1 3.4Å; A88-I92 WeakPolarHBondContact O-CG1 3.42Å; A88-I92 PolarHBondContact O-N 2.95Å; K89-I92 PolarHBondContact O-N 2.91Å; I92-D95 PolarHBondContact O-N 3.41Å; I92-I96 HydrophobicContact CG2-CD1 3.67Å; I92-I96 HydrophobicContact CG2-CG1 4.36Å; I92-I96 VanDerWaalsContact O-CG1 3.29Å; I92-I96 WeakPolarHBondContact O-CG1 3.49Å; I92-I96 PolarHBondContact O-N 2.86Å
93H92.8Very high87.1Confident55 Ų5548.3 Ų48.326%0.25524%0.243SC..Hα-helixtrans-60.8-48177.2178.168.9000111.6D25 K89 E90 D91 D95 I96 V97D25-H93 IonicContact OD1-CE1 3.95Å; D25-H93 IonicContact OD2-CE1 2.98Å; D25-H93 PolarHBondContact OD2-CE1 3.02Å; D25-H93 IonicContact OD2-NE2 2.68Å; K89-H93 WeakPolarHBondContact O-CB 3.49Å; K89-H93 PolarHBondContact O-N 3.26Å; E90-H93 WeakPolarHBondContact O-CB 3.48Å; E90-H93 PolarHBondContact O-N 3.48Å; D91-H93 VanDerWaalsContact C-N 3.32Å; H93-D95 VanDerWaalsContact C-N 3.35Å; H93-D95 PolarHBondContact O-N 2.88Å; H93-I96 PolarHBondContact O-N 3.31Å; H93-V97 WeakPolarHBondContact CE1-CG2 3.27Å; H93-V97 WeakPolarHBondContact O-CG2 3.36Å; H93-V97 PolarHBondContact O-N 3.48Å
94K93.9Very high88.2Confident41 Ų4147.3 Ų47.318%0.17823%0.234CC..Hα-helixtrans-57.8-43174.2-75176.8-177.8169.60112.7Y35 F74 I77 E90 D91 S98Y35-K94 HydrophobicContact CD1-CG 4.34Å; Y35-K94 HydrophobicContact CD2-CG 4.46Å; Y35-K94 HydrophobicContact CE1-CD 3.95Å; Y35-K94 HydrophobicContact CE1-CG 3.74Å; Y35-K94 HydrophobicContact CE2-CG 3.89Å; Y35-K94 VanDerWaalsContact CZ-CG 3.5Å; Y35-K94 WeakPolarHBondContact OH-CE 3.42Å; F74-K94 HydrophobicContact CE2-CB 4Å; I77-K94 HydrophobicContact CD1-CB 3.83Å; I77-K94 HydrophobicContact CD1-CD 4.06Å; E90-K94 HydrophobicContact CG-CD 4.44Å; E90-K94 WeakPolarHBondContact O-CB 3.26Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.49Å; E90-K94 VanDerWaalsContact OE1-CE 3.3Å; E90-K94 WeakPolarHBondContact OE1-CE 3.44Å; E90-K94 IonicContact OE1-NZ 3.82Å; E90-K94 PolarHBondContact OE1-NZ 2.93Å; D91-K94 PolarHBondContact O-N 3.35Å; K94-S98 WeakPolarHBondContact O-CB 3.47Å; K94-S98 PolarHBondContact O-N 2.95Å; K94-S98 PolarHBondContact O-OG 3.44Å
95D95Very high89.1Confident1 Ų144.7 Ų44.71%0.00522%0.216CC..Hα-helixtrans-59.5-51.5175-178.516.2000110.9Y19 R39 I77 F78 D91 I92 H93 S98 H99 R127Y19-D95 PolarHBondContact OH-OD1 3.43Å; Y19-D95 PolarHBondContact OH-OD2 3.22Å; Y19-D95 VanDerWaalsContact OH-OD2 3.04Å; R39-D95 IonicContact CZ-OD1 3.32Å; R39-D95 PolarHBondContact NH1-O 2.74Å; R39-D95 IonicContact NH1-OD1 2.78Å; R39-D95 PolarHBondContact NH1-OD1 2.74Å; R39-D95 IonicContact NH2-OD1 2.89Å; R39-D95 PolarHBondContact NH2-OD1 3.18Å; R39-D95 VanDerWaalsContact NH2-OD1 3.09Å; I77-D95 HydrophobicContact CG2-CB 4Å; F78-D95 WeakPolarHBondContact CE1-OD1 3.27Å; D91-D95 WeakPolarHBondContact O-CB 3.38Å; D91-D95 PolarHBondContact O-N 3.3Å; I92-D95 PolarHBondContact O-N 3.41Å; H93-D95 VanDerWaalsContact C-N 3.35Å; H93-D95 PolarHBondContact O-N 2.88Å; D95-S98 PolarHBondContact O-OG 2.82Å; D95-H99 WeakPolarHBondContact O-CB 3.31Å; D95-H99 PolarHBondContact O-N 3.29Å; D95-R127 IonicContact OD1-NH1 2.96Å; D95-R127 IonicContact OD2-CZ 3.96Å; D95-R127 VanDerWaalsContact OD2-CZ 3.3Å; D95-R127 IonicContact OD2-NH1 3.9Å; D95-R127 PolarHBondContact OD2-NH1 3.26Å; D95-R127 IonicContact OD2-NH2 2.95Å; D95-R127 PolarHBondContact OD2-NH2 3.17Å
96I95.6Very high90.5Very high32 Ų3239.7 Ų39.716%0.16419%0.189CC..Hα-helixtrans-61.5-53.8-179-69.4169.7000111Q17 Y19 P23 I92 H93 S98 H99 F100Q17-I96 HydrophobicContact CG-CG1 4.36Å; Y19-I96 HydrophobicContact CD1-CG1 4.33Å; Y19-I96 HydrophobicContact CE1-CG1 4.43Å; P23-I96 HydrophobicContact CB-CG2 4.46Å; P23-I96 HydrophobicContact CG-CG2 4.33Å; I92-I96 HydrophobicContact CG2-CD1 3.67Å; I92-I96 HydrophobicContact CG2-CG1 4.36Å; I92-I96 VanDerWaalsContact O-CG1 3.29Å; I92-I96 WeakPolarHBondContact O-CG1 3.49Å; I92-I96 PolarHBondContact O-N 2.86Å; H93-I96 PolarHBondContact O-N 3.31Å; I96-S98 PolarHBondContact O-N 2.96Å; I96-H99 WeakPolarHBondContact O-CB 3.37Å; I96-H99 PolarHBondContact O-N 3.46Å; I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.92Å; I96-F100 VanDerWaalsContact O-CD2 3.3Å; I96-F100 WeakPolarHBondContact O-CD2 3.43Å; I96-F100 PolarHBondContact O-N 3.35Å
97V95.1Very high91.3Very high5 Ų531.1 Ų31.13%0.0315%0.152CC..Hα-helixtrans-59.8-48.1-177.1172.90000110.9P23 I27 L32 Y35 H93 H99 F100 I101P23-V97 HydrophobicContact CB-CG2 4.12Å; P23-V97 HydrophobicContact CG-CG2 4.02Å; I27-V97 HydrophobicContact CD1-CG1 3.8Å; L32-V97 HydrophobicContact CD1-CG1 3.49Å; L32-V97 VanDerWaalsContact CD1-CG1 3.49Å; Y35-V97 HydrophobicContact CD2-CB 4.22Å; Y35-V97 HydrophobicContact CD2-CG1 3.91Å; H93-V97 WeakPolarHBondContact CE1-CG2 3.27Å; H93-V97 WeakPolarHBondContact O-CG2 3.36Å; H93-V97 PolarHBondContact O-N 3.48Å; V97-H99 VanDerWaalsContact C-N 3.29Å; V97-H99 PolarHBondContact O-N 2.99Å; V97-F100 PolarHBondContact O-N 2.95Å; V97-I101 WeakPolarHBondContact O-CG2 3.44Å; V97-I101 PolarHBondContact O-N 3.13Å
98S95Very high91.4Very high0 Ų031.1 Ų31.10%014%0.144CC..Hα-helixtrans-62.9-35.6179.463.60000112.5Y35 R39 K94 D95 I96 I101 L102Y35-S98 WeakPolarHBondContact O-CB 3.32Å; R39-S98 VanDerWaalsContact CD-C 3.44Å; R39-S98 WeakPolarHBondContact CD-O 3.34Å; R39-S98 PolarHBondContact NH1-OG 2.89Å; K94-S98 WeakPolarHBondContact O-CB 3.47Å; K94-S98 PolarHBondContact O-N 2.95Å; K94-S98 PolarHBondContact O-OG 3.44Å; D95-S98 PolarHBondContact O-OG 2.82Å; I96-S98 PolarHBondContact O-N 2.96Å; S98-I101 WeakPolarHBondContact O-CG2 3.44Å; S98-L102 VanDerWaalsContact O-CG 3.31Å; S98-L102 WeakPolarHBondContact O-CG 3.44Å; S98-L102 PolarHBondContact O-N 3.02Å
99H96.2Very high91.3Very high1 Ų132.9 Ų32.91%0.00516%0.156CC..Hα-helixtrans-63.5-50.3175.2179.688.4000111.7Y19 D95 I96 V97 L102 Q103 E120Y19-H99 WeakPolarHBondContact CB-CD2 3.12Å; Y19-H99 WeakPolarHBondContact CB-NE2 3.36Å; Y19-H99 HydrophobicContact CD1-CB 3.69Å; Y19-H99 AromaticContact CD1-CD2 3.6Å; Y19-H99 AromaticContact CD1-CG 3.56Å; Y19-H99 AromaticContact CD2-CD2 3.56Å; Y19-H99 AromaticContact CD2-CE1 3.27Å; Y19-H99 WeakPolarHBondContact CD2-CE1 3.42Å; Y19-H99 AromaticContact CD2-CG 3.63Å; Y19-H99 AromaticContact CD2-ND1 3.46Å; Y19-H99 WeakPolarHBondContact CD2-ND1 3.41Å; Y19-H99 AromaticContact CD2-NE2 3.34Å; Y19-H99 VanDerWaalsContact CD2-NE2 3.34Å; Y19-H99 WeakPolarHBondContact CD2-NE2 3.24Å; Y19-H99 HydrophobicContact CE1-CB 3.58Å; Y19-H99 AromaticContact CE1-CG 3.73Å; Y19-H99 HydrophobicContact CE2-CB 4.46Å; Y19-H99 AromaticContact CE2-CE1 3.62Å; Y19-H99 AromaticContact CE2-CG 3.81Å; Y19-H99 AromaticContact CE2-ND1 3.42Å; Y19-H99 WeakPolarHBondContact CE2-ND1 3.33Å; Y19-H99 HydrophobicContact CG-CB 4.17Å; Y19-H99 AromaticContact CG-CD2 3.21Å; Y19-H99 AromaticContact CG-CE1 3.8Å; Y19-H99 AromaticContact CG-CG 3.5Å; Y19-H99 AromaticContact CG-ND1 3.86Å; Y19-H99 AromaticContact CG-NE2 3.43Å; Y19-H99 AromaticContact CZ-CG 3.85Å; Y19-H99 AromaticContact CZ-ND1 3.77Å; D95-H99 WeakPolarHBondContact O-CB 3.31Å; D95-H99 PolarHBondContact O-N 3.29Å; I96-H99 WeakPolarHBondContact O-CB 3.37Å; I96-H99 PolarHBondContact O-N 3.46Å; V97-H99 VanDerWaalsContact C-N 3.29Å; V97-H99 PolarHBondContact O-N 2.99Å; H99-L102 PolarHBondContact O-N 3.27Å; H99-Q103 PolarHBondContact CD2-NE2 3.21Å; H99-Q103 PolarHBondContact NE2-NE2 3.47Å; H99-Q103 PolarHBondContact O-N 3.46Å; H99-E120 IonicContact CE1-OE1 3.6Å; H99-E120 PolarHBondContact CE1-OE1 3.49Å; H99-E120 IonicContact CG-OE1 2.63Å; H99-E120 IonicContact ND1-OE1 3.54Å; H99-E120 PolarHBondContact ND1-OE1 3.34Å
100F94.6Very high91.3Very high31 Ų3131.1 Ų31.114%0.13615%0.15CC..Hα-helixtrans-67.9-40.6-176.5-83.2-76.3000113Y19 C21 P22 P23 I96 V97 L102 Q103 V104Y19-F100 WeakPolarHBondContact O-CZ 3.27Å; C21-F100 VanDerWaalsContact O-CE2 3.24Å; C21-F100 WeakPolarHBondContact O-CE2 3.45Å; C21-F100 WeakPolarHBondContact O-CZ 3.32Å; P22-F100 VanDerWaalsContact CA-CZ 3.47Å; P22-F100 HydrophobicContact CB-CD1 4.07Å; P22-F100 HydrophobicContact CB-CE1 3.84Å; P22-F100 HydrophobicContact CB-CE2 4.43Å; P22-F100 HydrophobicContact CB-CG 4.44Å; P22-F100 HydrophobicContact CB-CZ 4.02Å; P23-F100 VanDerWaalsContact CD-CD2 3.49Å; I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.92Å; I96-F100 VanDerWaalsContact O-CD2 3.3Å; I96-F100 WeakPolarHBondContact O-CD2 3.43Å; I96-F100 PolarHBondContact O-N 3.35Å; V97-F100 PolarHBondContact O-N 2.95Å; F100-L102 VanDerWaalsContact C-N 3.26Å; F100-L102 PolarHBondContact O-N 3.49Å; F100-Q103 WeakPolarHBondContact O-CB 3.23Å; F100-Q103 PolarHBondContact O-N 3.34Å; F100-Q103 VanDerWaalsContact O-N 3.11Å; F100-V104 WeakPolarHBondContact O-CG2 3.22Å; F100-V104 PolarHBondContact O-N 2.91Å; F100-V104 VanDerWaalsContact O-N 3.16Å
101I91.2Very high91.1Very high15 Ų1530.9 Ų30.98%0.07715%0.152CC..Hα-helixtrans-63.9-35.1176.4-168.960.5000111.8L32 A36 V97 S98 V104 A105 L253L32-I101 HydrophobicContact CD1-CB 3.82Å; L32-I101 HydrophobicContact CD1-CD1 4.19Å; L32-I101 HydrophobicContact CD1-CG1 3.9Å; L32-I101 HydrophobicContact CD1-CG2 4.18Å; L32-I101 HydrophobicContact CD2-CD1 3.83Å; L32-I101 HydrophobicContact CD2-CG1 4.26Å; L32-I101 HydrophobicContact CG-CB 4.43Å; L32-I101 HydrophobicContact CG-CD1 4.09Å; L32-I101 HydrophobicContact CG-CG1 3.94Å; A36-I101 HydrophobicContact CB-CG1 4.44Å; A36-I101 HydrophobicContact CB-CG2 3.75Å; V97-I101 WeakPolarHBondContact O-CG2 3.44Å; V97-I101 PolarHBondContact O-N 3.13Å; S98-I101 WeakPolarHBondContact O-CG2 3.44Å; I101-V104 PolarHBondContact O-N 2.86Å; I101-A105 PolarHBondContact O-N 3.09Å; I101-L253 HydrophobicContact CD1-CD2 3.72Å; I101-L253 HydrophobicContact CG1-CD2 4.23Å
102L92.9Very high90.9Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-70.6-33.1173.6-68-159.4000112.4A36 R39 I40 L43 S98 H99 F100 V104 A105 Y106 F116A36-L102 HydrophobicContact CB-CD2 3.96Å; R39-L102 HydrophobicContact CB-CD1 3.84Å; R39-L102 HydrophobicContact CB-CG 4.49Å; R39-L102 HydrophobicContact CG-CD1 3.68Å; I40-L102 HydrophobicContact CD1-CD2 3.87Å; I40-L102 HydrophobicContact CG1-CD1 3.71Å; I40-L102 HydrophobicContact CG1-CD2 3.71Å; I40-L102 HydrophobicContact CG1-CG 4.4Å; L43-L102 HydrophobicContact CD1-CD1 3.94Å; S98-L102 VanDerWaalsContact O-CG 3.31Å; S98-L102 WeakPolarHBondContact O-CG 3.44Å; S98-L102 PolarHBondContact O-N 3.02Å; H99-L102 PolarHBondContact O-N 3.27Å; F100-L102 VanDerWaalsContact C-N 3.26Å; F100-L102 PolarHBondContact O-N 3.49Å; L102-V104 VanDerWaalsContact C-N 3.28Å; L102-V104 PolarHBondContact O-N 2.96Å; L102-A105 PolarHBondContact O-N 2.78Å; L102-A105 VanDerWaalsContact O-N 3.16Å; L102-Y106 HydrophobicContact CB-CD2 4.24Å; L102-Y106 HydrophobicContact CD2-CD2 4.45Å; L102-Y106 HydrophobicContact CD2-CE2 4.09Å; L102-Y106 WeakPolarHBondContact O-CB 3.47Å; L102-Y106 WeakPolarHBondContact O-CD2 3.45Å; L102-Y106 PolarHBondContact O-N 2.53Å; L102-F116 HydrophobicContact CB-CD2 4.31Å; L102-F116 HydrophobicContact CB-CE2 3.5Å; L102-F116 HydrophobicContact CB-CZ 3.78Å; L102-F116 HydrophobicContact CD1-CE2 3.92Å; L102-F116 HydrophobicContact CG-CE2 4.38Å
103Q93Very high91Very high3 Ų333.6 Ų33.61%0.01416%0.161CC..Hα-helixtrans-57.7-44.6170.8-71.6-170.43300111.5H99 F100 A105 Y106 C107 F116 L227 L231 L234H99-Q103 PolarHBondContact CD2-NE2 3.21Å; H99-Q103 PolarHBondContact NE2-NE2 3.47Å; H99-Q103 PolarHBondContact O-N 3.46Å; F100-Q103 WeakPolarHBondContact O-CB 3.23Å; F100-Q103 PolarHBondContact O-N 3.34Å; F100-Q103 VanDerWaalsContact O-N 3.11Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.41Å; Q103-Y106 PolarHBondContact O-N 2.66Å; Q103-C107 WeakPolarHBondContact O-CB 3.24Å; Q103-C107 PolarHBondContact O-N 2.74Å; Q103-C107 PolarHBondContact O-SG 3.06Å; Q103-F116 HydrophobicContact CG-CE1 3.9Å; Q103-F116 HydrophobicContact CG-CZ 4.38Å; Q103-L227 HydrophobicContact CG-CD1 4.14Å; Q103-L231 HydrophobicContact CB-CD2 3.83Å; Q103-L231 HydrophobicContact CG-CD2 3.99Å; Q103-L231 WeakPolarHBondContact O-CD2 3.36Å; Q103-L234 HydrophobicContact CB-CD1 3.63Å
104V88.9Confident90.9Very high37 Ų3738.2 Ų38.222%0.22418%0.177CC..Hα-helixtrans-62.6-42176.3-175.20000110.7F100 I101 L102 C107 L238 L253F100-V104 WeakPolarHBondContact O-CG2 3.22Å; F100-V104 PolarHBondContact O-N 2.91Å; F100-V104 VanDerWaalsContact O-N 3.16Å; I101-V104 PolarHBondContact O-N 2.86Å; L102-V104 VanDerWaalsContact C-N 3.28Å; L102-V104 PolarHBondContact O-N 2.96Å; V104-C107 PolarHBondContact O-SG 3.32Å; V104-L238 HydrophobicContact CB-CD1 4.42Å; V104-L238 HydrophobicContact CG1-CD1 3.8Å; V104-L238 HydrophobicContact CG1-CD2 4.36Å; V104-L253 HydrophobicContact CB-CD1 4.42Å; V104-L253 HydrophobicContact CB-CD2 4.14Å; V104-L253 HydrophobicContact CG1-CD1 3.41Å; V104-L253 VanDerWaalsContact CG1-CD1 3.41Å; V104-L253 HydrophobicContact CG1-CD2 4Å; V104-L253 HydrophobicContact CG1-CG 4.36Å
105A87.4Confident90.9Very high0 Ų038.5 Ų38.50%018%0.176CC..Hα-helixtrans-69.9-35.4179.300000113.5I101 L102 Q103 R108 L253 L256I101-A105 PolarHBondContact O-N 3.09Å; L102-A105 PolarHBondContact O-N 2.78Å; L102-A105 VanDerWaalsContact O-N 3.16Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.41Å; A105-R108 PolarHBondContact O-NE 3.42Å; A105-R108 PolarHBondContact O-NH2 3.31Å; A105-L253 HydrophobicContact CB-CD2 3.75Å; A105-L256 HydrophobicContact CB-CB 4.45Å; A105-L256 HydrophobicContact CB-CD1 4.33Å
106Y90.3Very high90.9Very high9 Ų938.5 Ų38.54%0.03518%0.176CC..Hα-helixtrans-102.3-6-171.2-75.6-102.4000114.1I40 L102 Q103 R108 L112 R113 W115 F116I40-Y106 HydrophobicContact CD1-CE2 4.36Å; I40-Y106 HydrophobicContact CG1-CE2 4.31Å; L102-Y106 HydrophobicContact CB-CD2 4.24Å; L102-Y106 HydrophobicContact CD2-CD2 4.45Å; L102-Y106 HydrophobicContact CD2-CE2 4.09Å; L102-Y106 WeakPolarHBondContact O-CB 3.47Å; L102-Y106 WeakPolarHBondContact O-CD2 3.45Å; L102-Y106 PolarHBondContact O-N 2.53Å; Q103-Y106 PolarHBondContact O-N 2.66Å; Y106-R108 PolarHBondContact O-N 3.32Å; Y106-L112 HydrophobicContact CD1-CB 3.85Å; Y106-L112 HydrophobicContact CD1-CD2 3.8Å; Y106-L112 HydrophobicContact CD1-CG 4.37Å; Y106-L112 WeakPolarHBondContact CD1-O 3.36Å; Y106-L112 HydrophobicContact CE1-CD2 3.86Å; Y106-L112 HydrophobicContact CG-CB 4.41Å; Y106-L112 CarbonylContact O-C 3.59Å; Y106-L112 WeakPolarHBondContact O-CB 3.37Å; Y106-R113 VanDerWaalsContact O-CG 3.26Å; Y106-R113 WeakPolarHBondContact O-CG 3.34Å; Y106-R113 PolarHBondContact O-N 3.24Å; Y106-W115 AromaticContact CD1-CE3 3.96Å; Y106-W115 HydrophobicContact CD1-CE3 3.96Å; Y106-W115 HydrophobicContact CD1-CZ3 4.32Å; Y106-W115 AromaticContact CE1-CE3 3.39Å; Y106-W115 HydrophobicContact CE1-CE3 3.39Å; Y106-W115 AromaticContact CE1-CZ3 3.49Å; Y106-W115 HydrophobicContact CE1-CZ3 3.49Å; Y106-W115 VanDerWaalsContact CE1-CZ3 3.49Å; Y106-W115 AromaticContact CZ-CZ3 3.73Å; Y106-F116 HydrophobicContact CD1-CB 3.77Å; Y106-F116 HydrophobicContact CD1-CG 4.42Å; Y106-F116 HydrophobicContact CD2-CD2 4.33Å; Y106-F116 HydrophobicContact CG-CB 3.84Å; Y106-F116 HydrophobicContact CG-CD2 4.21Å; Y106-F116 HydrophobicContact CG-CG 4.06Å
107C88.7Confident91Very high5 Ų537.7 Ų37.73%0.03417%0.173CC..THydrogen-bonded Turntrans-69.9-11.3173.369.30000114.5Q103 V104 S109 L231 L234 L238Q103-C107 WeakPolarHBondContact O-CB 3.24Å; Q103-C107 PolarHBondContact O-N 2.74Å; Q103-C107 PolarHBondContact O-SG 3.06Å; V104-C107 PolarHBondContact O-SG 3.32Å; C107-S109 PolarHBondContact O-N 3.27Å; C107-L231 HydrophobicContact CB-CD2 4.07Å; C107-L231 WeakPolarHBondContact CB-O 3.19Å; C107-L234 HydrophobicContact CB-CB 4.08Å; C107-L238 WeakPolarHBondContact SG-CD1 3.4Å
108R83Confident91Very high107 Ų10740.9 Ų40.940%0.40419%0.188SC..THydrogen-bonded Turntrans-73.7-21.2-167.3-69.4-178.8-74.5152.8-4.2115.8A105 Y106 L112 L253 S254 S257A105-R108 PolarHBondContact O-NE 3.42Å; A105-R108 PolarHBondContact O-NH2 3.31Å; Y106-R108 PolarHBondContact O-N 3.32Å; R108-L112 HydrophobicContact CB-CD1 4.47Å; R108-L253 PolarHBondContact NH2-O 2.8Å; R108-S254 VanDerWaalsContact NH1-CA 3.31Å; R108-S257 PolarHBondContact NH2-OG 2.92Å
109S83.4Confident91.1Very high48 Ų4841.4 Ų41.434%0.33619%0.19SC..SBendtrans-147.4160.2175.376.70000111.1C107 L112 R113C107-S109 PolarHBondContact O-N 3.27Å; S109-L112 PolarHBondContact O-N 3.06Å; S109-L112 WeakPolarHBondContact OG-CB 3.24Å; S109-L112 VanDerWaalsContact OG-CG 3.28Å; S109-L112 WeakPolarHBondContact OG-CG 3.35Å; S109-L112 PolarHBondContact OG-N 3.09Å; S109-R113 WeakPolarHBondContact O-CB 3.23Å; S109-R113 VanDerWaalsContact O-CG 3.31Å; S109-R113 WeakPolarHBondContact O-CG 3.25Å; S109-R113 PolarHBondContact O-N 2.9Å
110E87.5Confident91.1Very high126 Ų12641.5 Ų41.559%0.58919%0.19SC*.Hα-helixtrans-62.1-40.8177.2-75.5-178.4-17800113.1R113 R114E110-R113 PolarHBondContact O-N 3Å; E110-R113 IonicContact OE1-NH2 2.78Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 3.5Å
111D85.6Confident91.3Very high84 Ų8440 Ų4045%0.44918%0.184SC..Hα-helixtrans-65.3-41.5179.4-70.6-26000111.5R114 W115 R424D111-R114 PolarHBondContact O-N 2.7Å; D111-R114 IonicContact OD1-NH1 2.89Å; D111-R114 PolarHBondContact OD1-NH1 2.62Å; D111-W115 WeakPolarHBondContact O-CB 3.39Å; D111-W115 PolarHBondContact O-N 2.88Å; D111-R424 IonicContact OD2-NH1 3.39Å; D111-R424 PolarHBondContact OD2-NH1 3.32Å
112L87.6Confident91.6Very high36 Ų3639.7 Ų39.719%0.18818%0.182CC..Hα-helixtrans-64.9-44.9174.9-69.6175.8000111.3Y106 R108 S109 R114 W115 F116Y106-L112 HydrophobicContact CD1-CB 3.85Å; Y106-L112 HydrophobicContact CD1-CD2 3.8Å; Y106-L112 HydrophobicContact CD1-CG 4.37Å; Y106-L112 WeakPolarHBondContact CD1-O 3.36Å; Y106-L112 HydrophobicContact CE1-CD2 3.86Å; Y106-L112 HydrophobicContact CG-CB 4.41Å; Y106-L112 CarbonylContact O-C 3.59Å; Y106-L112 WeakPolarHBondContact O-CB 3.37Å; R108-L112 HydrophobicContact CB-CD1 4.47Å; S109-L112 PolarHBondContact O-N 3.06Å; S109-L112 WeakPolarHBondContact OG-CB 3.24Å; S109-L112 VanDerWaalsContact OG-CG 3.28Å; S109-L112 WeakPolarHBondContact OG-CG 3.35Å; S109-L112 PolarHBondContact OG-N 3.09Å; L112-R114 PolarHBondContact O-N 3.49Å; L112-W115 PolarHBondContact O-N 2.81Å; L112-F116 VanDerWaalsContact O-CB 3.28Å; L112-F116 WeakPolarHBondContact O-CB 3.01Å; L112-F116 PolarHBondContact O-N 3.29Å
113R92.4Very high91.8Very high70 Ų7039.8 Ų39.826%0.26418%0.183SC..Hα-helixtrans-59.2-48.1176.8-75.8-172.9-70.7163.5-4.5111.2Y106 S109 E110 F116 V117 L231Y106-R113 VanDerWaalsContact O-CG 3.26Å; Y106-R113 WeakPolarHBondContact O-CG 3.34Å; Y106-R113 PolarHBondContact O-N 3.24Å; S109-R113 WeakPolarHBondContact O-CB 3.23Å; S109-R113 VanDerWaalsContact O-CG 3.31Å; S109-R113 WeakPolarHBondContact O-CG 3.25Å; S109-R113 PolarHBondContact O-N 2.9Å; E110-R113 PolarHBondContact O-N 3Å; E110-R113 IonicContact OE1-NH2 2.78Å; R113-F116 PolarHBondContact O-N 2.9Å; R113-V117 WeakPolarHBondContact O-CB 3.19Å; R113-V117 VanDerWaalsContact O-CG2 3.23Å; R113-V117 WeakPolarHBondContact O-CG2 3.39Å; R113-V117 PolarHBondContact O-N 3.16Å; R113-L231 HydrophobicContact CG-CB 4.13Å; R113-L231 HydrophobicContact CG-CD1 4.39Å
114R92.4Very high92Very high152 Ų15239.8 Ų39.857%0.57418%0.183SC*.Hα-helixtrans-60.5-48.6-178.7-170.2-176.6-60.7111.22.3111.2E110 D111 L112 Q118E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 3.5Å; D111-R114 PolarHBondContact O-N 2.7Å; D111-R114 IonicContact OD1-NH1 2.89Å; D111-R114 PolarHBondContact OD1-NH1 2.62Å; L112-R114 PolarHBondContact O-N 3.49Å; R114-Q118 WeakPolarHBondContact O-CB 3.37Å; R114-Q118 PolarHBondContact O-N 2.87Å
115W92.3Very high92.3Very high47 Ų4741.3 Ų41.318%0.17818%0.184CC..Hα-helixtrans-61.9-49.3178.6-178.586.8000111.6L43 K44 E47 Y106 D111 L112 Q118 Q119L43-W115 HydrophobicContact CB-CH2 3.67Å; L43-W115 HydrophobicContact CB-CZ2 4.38Å; L43-W115 HydrophobicContact CB-CZ3 4.26Å; L43-W115 HydrophobicContact CD1-CH2 4.46Å; L43-W115 HydrophobicContact CD1-CZ3 4.24Å; K44-W115 HydrophobicContact CG-CH2 4.26Å; K44-W115 HydrophobicContact CG-CZ2 4.03Å; E47-W115 PolarHBondContact OE1-NE1 3.31Å; Y106-W115 AromaticContact CD1-CE3 3.96Å; Y106-W115 HydrophobicContact CD1-CE3 3.96Å; Y106-W115 HydrophobicContact CD1-CZ3 4.32Å; Y106-W115 AromaticContact CE1-CE3 3.39Å; Y106-W115 HydrophobicContact CE1-CE3 3.39Å; Y106-W115 AromaticContact CE1-CZ3 3.49Å; Y106-W115 HydrophobicContact CE1-CZ3 3.49Å; Y106-W115 VanDerWaalsContact CE1-CZ3 3.49Å; Y106-W115 AromaticContact CZ-CZ3 3.73Å; D111-W115 WeakPolarHBondContact O-CB 3.39Å; D111-W115 PolarHBondContact O-N 2.88Å; L112-W115 PolarHBondContact O-N 2.81Å; W115-Q118 PolarHBondContact O-N 3.16Å; W115-Q119 HydrophobicContact CD2-CG 4.02Å; W115-Q119 HydrophobicContact CE3-CG 4.46Å; W115-Q119 HydrophobicContact CH2-CG 4.26Å; W115-Q119 HydrophobicContact CZ2-CG 3.77Å; W115-Q119 WeakPolarHBondContact O-CG 3.34Å; W115-Q119 PolarHBondContact O-N 2.85Å
116F95.7Very high92.7Very high0 Ų041.5 Ų41.50%019%0.185CC..Hα-helixtrans-62.2-47.9-178-179.6-112.6000111.7L43 L102 Q103 Y106 L112 R113 Q118 Q119 E120 L227 L231L43-F116 HydrophobicContact CD1-CD2 3.61Å; L43-F116 HydrophobicContact CD1-CE2 3.61Å; L102-F116 HydrophobicContact CB-CD2 4.31Å; L102-F116 HydrophobicContact CB-CE2 3.5Å; L102-F116 HydrophobicContact CB-CZ 3.78Å; L102-F116 HydrophobicContact CD1-CE2 3.92Å; L102-F116 HydrophobicContact CG-CE2 4.38Å; Q103-F116 HydrophobicContact CG-CE1 3.9Å; Q103-F116 HydrophobicContact CG-CZ 4.38Å; Y106-F116 HydrophobicContact CD1-CB 3.77Å; Y106-F116 HydrophobicContact CD1-CG 4.42Å; Y106-F116 HydrophobicContact CD2-CD2 4.33Å; Y106-F116 HydrophobicContact CG-CB 3.84Å; Y106-F116 HydrophobicContact CG-CD2 4.21Å; Y106-F116 HydrophobicContact CG-CG 4.06Å; L112-F116 VanDerWaalsContact O-CB 3.28Å; L112-F116 WeakPolarHBondContact O-CB 3.01Å; L112-F116 PolarHBondContact O-N 3.29Å; R113-F116 PolarHBondContact O-N 2.9Å; F116-Q118 VanDerWaalsContact C-N 3.3Å; F116-Q118 PolarHBondContact O-N 3Å; F116-Q119 PolarHBondContact O-N 2.98Å; F116-E120 HydrophobicContact CZ-CG 4.3Å; F116-E120 WeakPolarHBondContact O-CB 3.23Å; F116-E120 PolarHBondContact O-N 3.35Å; F116-L227 HydrophobicContact CE1-CD1 4.06Å; F116-L227 HydrophobicContact CE1-CD2 4.49Å; F116-L231 HydrophobicContact CD1-CD1 3.81Å; F116-L231 HydrophobicContact CD1-CD2 4.05Å; F116-L231 HydrophobicContact CD1-CG 4.49Å; F116-L231 HydrophobicContact CE1-CD1 4.39Å; F116-L231 HydrophobicContact CE1-CD2 4.21Å
117V97.5Very high92.9Very high15 Ų1541.7 Ų41.79%0.09119%0.186CC..Hα-helixtrans-57.5-44.4175.7171.80000111R113 V121 R224 L227 L231R113-V117 WeakPolarHBondContact O-CB 3.19Å; R113-V117 VanDerWaalsContact O-CG2 3.23Å; R113-V117 WeakPolarHBondContact O-CG2 3.39Å; R113-V117 PolarHBondContact O-N 3.16Å; V117-V121 HydrophobicContact CG1-CG2 3.97Å; V117-V121 WeakPolarHBondContact O-CB 3.49Å; V117-V121 WeakPolarHBondContact O-CG2 3.42Å; V117-V121 PolarHBondContact O-N 2.91Å; V117-R224 HydrophobicContact CG1-CG 3.87Å; V117-L227 HydrophobicContact CG2-CD2 4.19Å; V117-L227 HydrophobicContact CG2-CG 4.19Å; V117-L231 HydrophobicContact CG2-CD1 3.38Å
118Q95.9Very high93.1Very high73 Ų7341.4 Ų41.434%0.34118%0.184SC..Hα-helixtrans-59.7-53.1-179.6-177.15952.400111.7R114 W115 F116 D122R114-Q118 WeakPolarHBondContact O-CB 3.37Å; R114-Q118 PolarHBondContact O-N 2.87Å; W115-Q118 PolarHBondContact O-N 3.16Å; F116-Q118 VanDerWaalsContact C-N 3.3Å; F116-Q118 PolarHBondContact O-N 3Å; Q118-D122 VanDerWaalsContact NE2-CG 3.32Å; Q118-D122 PolarHBondContact NE2-OD1 3.44Å; Q118-D122 PolarHBondContact NE2-OD2 3.31Å; Q118-D122 WeakPolarHBondContact O-CB 3.34Å; Q118-D122 VanDerWaalsContact O-CG 3.29Å; Q118-D122 PolarHBondContact O-N 2.9Å; Q118-D122 VanDerWaalsContact O-N 3.09Å
119Q96.4Very high93.5Very high11 Ų1137.2 Ų37.25%0.05117%0.169CC..Hα-helixtrans-69.9-37.6-176-51.8-35.3-44.400112.2L43 E47 W115 F116 D122 L123L43-Q119 HydrophobicContact CB-CB 3.91Å; L43-Q119 HydrophobicContact CB-CG 4.44Å; L43-Q119 HydrophobicContact CD2-CB 3.84Å; L43-Q119 HydrophobicContact CG-CB 4.32Å; E47-Q119 HydrophobicContact CB-CG 4.39Å; W115-Q119 HydrophobicContact CD2-CG 4.02Å; W115-Q119 HydrophobicContact CE3-CG 4.46Å; W115-Q119 HydrophobicContact CH2-CG 4.26Å; W115-Q119 HydrophobicContact CZ2-CG 3.77Å; W115-Q119 WeakPolarHBondContact O-CG 3.34Å; W115-Q119 PolarHBondContact O-N 2.85Å; F116-Q119 PolarHBondContact O-N 2.98Å; Q119-D122 PolarHBondContact O-N 2.91Å; Q119-L123 WeakPolarHBondContact O-CB 3.27Å; Q119-L123 PolarHBondContact O-N 2.96Å
120E97.6Very high93.9Very high2 Ų235.3 Ų35.31%0.00916%0.155CC..Hα-helixtrans-69.1-37.9-178.9-168.367.5-157.300111.5R39 L43 H99 F116 F124 F223 L227R39-E120 IonicContact CZ-OE1 3.41Å; R39-E120 IonicContact CZ-OE2 2.62Å; R39-E120 IonicContact NE-OE1 3.14Å; R39-E120 IonicContact NE-OE2 3.39Å; R39-E120 PolarHBondContact NE-OE2 3.49Å; R39-E120 IonicContact NH2-OE1 2.78Å; R39-E120 PolarHBondContact NH2-OE1 2.86Å; R39-E120 IonicContact NH2-OE2 3.09Å; L43-E120 WeakPolarHBondContact CD2-OE2 3.47Å; H99-E120 IonicContact CE1-OE1 3.6Å; H99-E120 PolarHBondContact CE1-OE1 3.49Å; H99-E120 IonicContact CG-OE1 2.63Å; H99-E120 IonicContact ND1-OE1 3.54Å; H99-E120 PolarHBondContact ND1-OE1 3.34Å; F116-E120 HydrophobicContact CZ-CG 4.3Å; F116-E120 WeakPolarHBondContact O-CB 3.23Å; F116-E120 PolarHBondContact O-N 3.35Å; E120-F124 WeakPolarHBondContact O-CB 3.46Å; E120-F124 PolarHBondContact O-N 2.91Å; E120-F223 HydrophobicContact CG-CE1 4.18Å; E120-F223 HydrophobicContact CG-CZ 4.09Å; E120-L227 HydrophobicContact CB-CD2 3.75Å; E120-L227 HydrophobicContact CG-CD2 3.62Å
121V97.8Very high94Very high0 Ų029.6 Ų29.60%013%0.129CC..Hα-helixtrans-68.7-40175173.90000111.3V117 F124 R125 V220 F223 R224V117-V121 HydrophobicContact CG1-CG2 3.97Å; V117-V121 WeakPolarHBondContact O-CB 3.49Å; V117-V121 WeakPolarHBondContact O-CG2 3.42Å; V117-V121 PolarHBondContact O-N 2.91Å; V121-F124 PolarHBondContact O-N 3.41Å; V121-R125 WeakPolarHBondContact O-CB 3.38Å; V121-R125 PolarHBondContact O-N 3.42Å; V121-V220 HydrophobicContact CG1-CG1 3.42Å; V121-V220 VanDerWaalsContact CG1-CG1 3.42Å; V121-F223 HydrophobicContact CB-CD1 4.42Å; V121-F223 HydrophobicContact CG2-CD1 3.86Å; V121-F223 HydrophobicContact CG2-CE1 4.08Å; V121-R224 HydrophobicContact CG1-CB 4.32Å; V121-R224 HydrophobicContact CG2-CB 3.67Å; V121-R224 HydrophobicContact CG2-CG 4.04Å
122D96.6Very high94.1Very high9 Ų927.7 Ų27.75%0.04812%0.115CC..Hα-helixtrans-66.6-41.2176.3-73.2-17.7000111.4V46 R55 Q118 Q119 R125 F126V46-D122 HydrophobicContact CG1-CB 3.7Å; R55-D122 IonicContact CZ-OD2 3.26Å; R55-D122 VanDerWaalsContact NE-CG 3.29Å; R55-D122 IonicContact NE-OD1 2.7Å; R55-D122 IonicContact NE-OD2 3.26Å; R55-D122 PolarHBondContact NE-OD2 3.2Å; R55-D122 IonicContact NH2-OD2 2.65Å; R55-D122 PolarHBondContact NH2-OD2 3.47Å; Q118-D122 VanDerWaalsContact NE2-CG 3.32Å; Q118-D122 PolarHBondContact NE2-OD1 3.44Å; Q118-D122 PolarHBondContact NE2-OD2 3.31Å; Q118-D122 WeakPolarHBondContact O-CB 3.34Å; Q118-D122 VanDerWaalsContact O-CG 3.29Å; Q118-D122 PolarHBondContact O-N 2.9Å; Q118-D122 VanDerWaalsContact O-N 3.09Å; Q119-D122 PolarHBondContact O-N 2.91Å; D122-R125 PolarHBondContact O-N 3.19Å; D122-F126 PolarHBondContact O-N 2.97Å
123L97.3Very high94.1Very high1 Ų130 Ų301%0.00513%0.128CC..Hα-helixtrans-60.5-46.3172.1179.661.9000111.1V42 L43 V46 L68 F78 Q119 R125 F126 R127V42-L123 HydrophobicContact CG1-CD1 4.1Å; V42-L123 HydrophobicContact CG1-CD2 3.81Å; L43-L123 HydrophobicContact CD2-CB 4.43Å; L43-L123 HydrophobicContact CD2-CD2 3.98Å; V46-L123 HydrophobicContact CG2-CB 4.02Å; V46-L123 HydrophobicContact CG2-CD1 3.98Å; V46-L123 HydrophobicContact CG2-CG 4.49Å; L68-L123 HydrophobicContact CD1-CD1 4.49Å; F78-L123 HydrophobicContact CB-CD1 4.14Å; F78-L123 HydrophobicContact CD1-CD1 4.34Å; F78-L123 HydrophobicContact CD1-CD2 3.91Å; F78-L123 HydrophobicContact CD1-CG 4.4Å; F78-L123 HydrophobicContact CE1-CD2 4.04Å; F78-L123 HydrophobicContact CG-CD1 4.33Å; F78-L123 HydrophobicContact CG-CD2 4.48Å; Q119-L123 WeakPolarHBondContact O-CB 3.27Å; Q119-L123 PolarHBondContact O-N 2.96Å; L123-R125 PolarHBondContact O-N 3.27Å; L123-F126 HydrophobicContact CD1-CD1 4.46Å; L123-F126 PolarHBondContact O-N 3.19Å; L123-R127 HydrophobicContact CD1-CG 4.36Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.31Å; L123-R127 PolarHBondContact O-N 3.16Å
124F97.3Very high93.7Very high3 Ų331.4 Ų31.41%0.01314%0.141CC..Hα-helixtrans-60-44.8176.9174.9-95.5000111.8F18 E120 V121 F126 R127 F128 F145 V219 V220 F223F18-F124 HydrophobicContact CD1-CE2 4.24Å; F18-F124 HydrophobicContact CD1-CZ 4.25Å; F18-F124 HydrophobicContact CE1-CE1 4.38Å; F18-F124 HydrophobicContact CE1-CE2 4.19Å; F18-F124 AromaticContact CE1-CZ 3.74Å; F18-F124 HydrophobicContact CE1-CZ 3.74Å; E120-F124 WeakPolarHBondContact O-CB 3.46Å; E120-F124 PolarHBondContact O-N 2.91Å; V121-F124 PolarHBondContact O-N 3.41Å; F124-F126 PolarHBondContact O-N 3.46Å; F124-R127 PolarHBondContact O-N 3.34Å; F124-F128 HydrophobicContact CE1-CB 4.46Å; F124-F128 HydrophobicContact CZ-CD2 4.15Å; F124-F128 WeakPolarHBondContact O-CB 3.26Å; F124-F128 PolarHBondContact O-N 3.11Å; F124-F145 HydrophobicContact CE2-CE1 4.46Å; F124-F145 AromaticContact CE2-CZ 3.8Å; F124-F145 HydrophobicContact CE2-CZ 3.8Å; F124-F145 HydrophobicContact CZ-CE1 4.03Å; F124-F145 AromaticContact CZ-CZ 3.76Å; F124-F145 HydrophobicContact CZ-CZ 3.76Å; F124-V219 HydrophobicContact CE1-CG1 3.97Å; F124-V219 HydrophobicContact CZ-CG1 3.98Å; F124-V220 HydrophobicContact CD1-CG2 4.17Å; F124-V220 HydrophobicContact CE1-CG2 4.25Å; F124-F223 HydrophobicContact CB-CD1 3.7Å; F124-F223 HydrophobicContact CB-CE1 3.56Å; F124-F223 HydrophobicContact CB-CG 4.33Å; F124-F223 HydrophobicContact CB-CZ 4.06Å; F124-F223 HydrophobicContact CD1-CB 3.93Å; F124-F223 AromaticContact CD1-CD1 3.84Å; F124-F223 HydrophobicContact CD1-CD1 3.84Å; F124-F223 HydrophobicContact CD1-CD2 4.5Å; F124-F223 AromaticContact CD1-CG 3.83Å; F124-F223 HydrophobicContact CD1-CG 3.83Å; F124-F223 HydrophobicContact CD2-CD1 4.38Å; F124-F223 HydrophobicContact CD2-CD2 4.06Å; F124-F223 HydrophobicContact CD2-CE1 4.48Å; F124-F223 HydrophobicContact CD2-CE2 4.15Å; F124-F223 HydrophobicContact CD2-CG 4.17Å; F124-F223 HydrophobicContact CD2-CZ 4.37Å; F124-F223 HydrophobicContact CE1-CB 3.94Å; F124-F223 HydrophobicContact CE1-CG 4.21Å; F124-F223 HydrophobicContact CE2-CD2 4.32Å; F124-F223 HydrophobicContact CG-CB 4.42Å; F124-F223 AromaticContact CG-CD1 3.7Å; F124-F223 HydrophobicContact CG-CD1 3.7Å; F124-F223 HydrophobicContact CG-CD2 4.18Å; F124-F223 AromaticContact CG-CE1 3.95Å; F124-F223 HydrophobicContact CG-CE1 3.95Å; F124-F223 HydrophobicContact CG-CE2 4.38Å; F124-F223 AromaticContact CG-CG 3.82Å; F124-F223 HydrophobicContact CG-CG 3.82Å; F124-F223 HydrophobicContact CG-CZ 4.28Å; F124-F223 HydrophobicContact CZ-CB 4.44Å
125R95.7Very high93.2Very high70 Ų7024.8 Ų24.826%0.26412%0.118SC..Hα-helixtrans-57.8-49.2176.7-177-179.2-174.1101.5-0.3111.5V121 D122 L123 R127 F128 L129 V216 V220V121-R125 WeakPolarHBondContact O-CB 3.38Å; V121-R125 PolarHBondContact O-N 3.42Å; D122-R125 PolarHBondContact O-N 3.19Å; L123-R125 PolarHBondContact O-N 3.27Å; R125-R127 PolarHBondContact O-N 2.94Å; R125-F128 PolarHBondContact O-N 2.99Å; R125-L129 HydrophobicContact CG-CD1 4.21Å; R125-L129 WeakPolarHBondContact O-CG 3.21Å; R125-L129 PolarHBondContact O-N 2.79Å; R125-V216 HydrophobicContact CG-CG1 4.35Å; R125-V220 HydrophobicContact CB-CG2 3.85Å; R125-V220 HydrophobicContact CG-CG2 3.98Å
126F95.6Very high92.5Very high3 Ų328.7 Ų28.71%0.01315%0.147CC..Hα-helixtrans-55.9-50.1175.7163.8-102.9000111.2Y60 D61 M64 I65 L68 T79 D122 L123 F124 F128 L129 N130Y60-F126 HydrophobicContact CE1-CB 4.35Å; Y60-F126 HydrophobicContact CE1-CD2 4.43Å; D61-F126 HydrophobicContact CB-CE2 4.29Å; M64-F126 HydrophobicContact CB-CD2 3.92Å; M64-F126 HydrophobicContact CB-CE2 3.66Å; M64-F126 HydrophobicContact CB-CG 4.5Å; M64-F126 HydrophobicContact CB-CZ 4.04Å; M64-F126 HydrophobicContact CE-CD1 4.16Å; M64-F126 HydrophobicContact CE-CG 4.21Å; M64-F126 HydrophobicContact CG-CD2 4.25Å; M64-F126 HydrophobicContact CG-CE2 4.48Å; I65-F126 HydrophobicContact CG1-CE2 4.11Å; I65-F126 HydrophobicContact CG1-CZ 3.73Å; L68-F126 HydrophobicContact CD1-CE1 4.03Å; T79-F126 HydrophobicContact CG2-CE1 4.32Å; T79-F126 HydrophobicContact CG2-CZ 4.35Å; D122-F126 PolarHBondContact O-N 2.97Å; L123-F126 HydrophobicContact CD1-CD1 4.46Å; L123-F126 PolarHBondContact O-N 3.19Å; F124-F126 PolarHBondContact O-N 3.46Å; F126-F128 VanDerWaalsContact C-N 3.34Å; F126-F128 PolarHBondContact O-N 3.37Å; F126-L129 PolarHBondContact O-N 3.18Å; F126-N130 HydrophobicContact CZ-CB 4.46Å; F126-N130 VanDerWaalsContact O-CB 3.24Å; F126-N130 WeakPolarHBondContact O-CB 3.2Å; F126-N130 PolarHBondContact O-N 3.46Å
127R94.3Very high91.8Very high13 Ų1333 Ų335%0.04917%0.166CC..Hα-helixtrans-61.7-41.6-179.7-68.2172.972.6-1605.6112.6R15 L16 Y19 F78 D95 L123 F124 R125 N130 E131R15-R127 PolarHBondContact O-NH2 3.49Å; L16-R127 HydrophobicContact CD2-CB 3.64Å; Y19-R127 PolarHBondContact OH-NH1 3.36Å; F78-R127 HydrophobicContact CB-CG 4.48Å; D95-R127 IonicContact OD1-NH1 2.96Å; D95-R127 IonicContact OD2-CZ 3.96Å; D95-R127 VanDerWaalsContact OD2-CZ 3.3Å; D95-R127 IonicContact OD2-NH1 3.9Å; D95-R127 PolarHBondContact OD2-NH1 3.26Å; D95-R127 IonicContact OD2-NH2 2.95Å; D95-R127 PolarHBondContact OD2-NH2 3.17Å; L123-R127 HydrophobicContact CD1-CG 4.36Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.31Å; L123-R127 PolarHBondContact O-N 3.16Å; F124-R127 PolarHBondContact O-N 3.34Å; R125-R127 PolarHBondContact O-N 2.94Å; R127-N130 PolarHBondContact O-N 3.43Å; R127-E131 WeakPolarHBondContact O-CB 3.5Å; R127-E131 PolarHBondContact O-N 2.87Å
128F93.5Very high91.2Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-62-47.5178.6-175.9-86.3000111L16 F124 R125 F126 R132 I142 F145 V216 V219L16-F128 HydrophobicContact CD1-CD2 4.17Å; F124-F128 HydrophobicContact CE1-CB 4.46Å; F124-F128 HydrophobicContact CZ-CD2 4.15Å; F124-F128 WeakPolarHBondContact O-CB 3.26Å; F124-F128 PolarHBondContact O-N 3.11Å; R125-F128 PolarHBondContact O-N 2.99Å; F126-F128 VanDerWaalsContact C-N 3.34Å; F126-F128 PolarHBondContact O-N 3.37Å; F128-R132 WeakPolarHBondContact O-CB 3.29Å; F128-R132 PolarHBondContact O-N 2.79Å; F128-R132 VanDerWaalsContact O-N 3.16Å; F128-I142 HydrophobicContact CD2-CD1 3.85Å; F128-I142 HydrophobicContact CE2-CD1 3.65Å; F128-I142 HydrophobicContact CE2-CG2 4.07Å; F128-I142 HydrophobicContact CG-CD1 4.38Å; F128-I142 HydrophobicContact CZ-CD1 4.01Å; F128-I142 HydrophobicContact CZ-CG2 3.78Å; F128-F145 HydrophobicContact CD2-CE1 4.28Å; F128-F145 HydrophobicContact CE2-CD1 4.24Å; F128-F145 HydrophobicContact CE2-CE1 4.17Å; F128-V216 HydrophobicContact CD1-CG1 4.41Å; F128-V216 HydrophobicContact CD1-CG2 4.29Å; F128-V216 HydrophobicContact CE1-CG2 3.98Å; F128-V219 HydrophobicContact CD2-CG1 4.21Å; F128-V219 HydrophobicContact CE2-CB 4.45Å; F128-V219 HydrophobicContact CE2-CG1 3.89Å; F128-V219 HydrophobicContact CE2-CG2 4.45Å; F128-V219 HydrophobicContact CZ-CG1 4.48Å; F128-V219 HydrophobicContact CZ-CG2 4.32Å
129L91.9Very high90.6Very high18 Ų1831.7 Ų31.79%0.09417%0.166CC..Hα-helixtrans-65.3-42.2176.6-69.6174.8000111.8R125 F126 R132 N133 V216R125-L129 HydrophobicContact CG-CD1 4.21Å; R125-L129 WeakPolarHBondContact O-CG 3.21Å; R125-L129 PolarHBondContact O-N 2.79Å; F126-L129 PolarHBondContact O-N 3.18Å; L129-R132 PolarHBondContact O-N 3.45Å; L129-N133 VanDerWaalsContact O-CB 3.25Å; L129-N133 WeakPolarHBondContact O-CB 3.46Å; L129-N133 PolarHBondContact O-N 3.34Å; L129-N133 PolarHBondContact O-ND2 2.85Å; L129-V216 HydrophobicContact CD2-CG1 4.04Å; L129-V216 HydrophobicContact CD2-CG2 3.78Å; L129-V216 HydrophobicContact CG-CG1 4.35Å
130N91.4Very high90.1Very high8 Ų837.3 Ų37.34%0.04319%0.192CC..Hα-helixtrans-63.4-46.8178.7-179.555.1000112.5T79 F126 R127 R132 N134T79-N130 PolarHBondContact O-ND2 2.83Å; F126-N130 HydrophobicContact CZ-CB 4.46Å; F126-N130 VanDerWaalsContact O-CB 3.24Å; F126-N130 WeakPolarHBondContact O-CB 3.2Å; F126-N130 PolarHBondContact O-N 3.46Å; R127-N130 PolarHBondContact O-N 3.43Å; N130-R132 PolarHBondContact O-N 3.4Å; N130-N134 WeakPolarHBondContact O-CB 3.33Å; N130-N134 PolarHBondContact O-N 2.84Å; N130-N134 PolarHBondContact OD1-ND2 3.32Å
131E90.1Very high89.6Confident7 Ų737.7 Ų37.73%0.03319%0.194CC..Hα-helixtrans-61.1-37.8175.8-175.465.3-129.600111L16 P81 S82 R127 S135 G138 V141 I142L16-E131 HydrophobicContact CD1-CB 4.02Å; L16-E131 HydrophobicContact CD1-CG 4.17Å; P81-E131 WeakPolarHBondContact CA-OE2 3.45Å; S82-E131 VanDerWaalsContact CB-OE1 3.29Å; S82-E131 WeakPolarHBondContact CB-OE1 3.41Å; S82-E131 WeakPolarHBondContact CB-OE2 3.34Å; S82-E131 PolarHBondContact N-OE1 2.77Å; S82-E131 PolarHBondContact N-OE2 3.02Å; S82-E131 PolarHBondContact OG-OE1 3.23Å; S82-E131 PolarHBondContact OG-OE2 3.36Å; R127-E131 WeakPolarHBondContact O-CB 3.5Å; R127-E131 PolarHBondContact O-N 2.87Å; E131-S135 WeakPolarHBondContact O-CB 3.5Å; E131-S135 PolarHBondContact O-N 3.47Å; E131-S135 VanDerWaalsContact OE1-CB 3.23Å; E131-S135 WeakPolarHBondContact OE1-CB 3.3Å; E131-S135 PolarHBondContact OE1-OG 3.25Å; E131-G138 WeakPolarHBondContact O-CA 3.01Å; E131-V141 HydrophobicContact CG-CB 4.37Å; E131-V141 HydrophobicContact CG-CG1 3.78Å; E131-I142 HydrophobicContact CG-CD1 4.5Å
132R86.5Confident89.3Confident43 Ų4337.7 Ų37.716%0.16219%0.194CC..Hα-helixtrans-74.3-45.9-178.3-167.4-178.870.597.75.7113.1F128 L129 N130 I142 E212F128-R132 WeakPolarHBondContact O-CB 3.29Å; F128-R132 PolarHBondContact O-N 2.79Å; F128-R132 VanDerWaalsContact O-N 3.16Å; L129-R132 PolarHBondContact O-N 3.45Å; N130-R132 PolarHBondContact O-N 3.4Å; R132-I142 HydrophobicContact CB-CD1 4.48Å; R132-I142 HydrophobicContact CB-CG1 4.02Å; R132-I142 HydrophobicContact CG-CG1 4.15Å; R132-E212 VanDerWaalsContact CZ-CD 3.43Å; R132-E212 IonicContact CZ-OE1 2.73Å; R132-E212 IonicContact CZ-OE2 3.67Å; R132-E212 VanDerWaalsContact NH1-CG 3.27Å; R132-E212 IonicContact NH1-OE1 2.81Å; R132-E212 PolarHBondContact NH1-OE1 3.01Å; R132-E212 IonicContact NH1-OE2 3.9Å; R132-E212 PolarHBondContact NH1-OE2 3.48Å; R132-E212 IonicContact NH2-OE1 3.54Å; R132-E212 PolarHBondContact NH2-OE1 3.32Å
133N87.2Confident88.9Confident84 Ų8439.3 Ų39.345%0.44921%0.206SC..Hα-helixtrans-81.5-33.8-172.3-63.2-10.5000112.2L129L129-N133 VanDerWaalsContact O-CB 3.25Å; L129-N133 WeakPolarHBondContact O-CB 3.46Å; L129-N133 PolarHBondContact O-N 3.34Å; L129-N133 PolarHBondContact O-ND2 2.85Å
134N85.6Confident88.5Confident101 Ų10143.6 Ų43.654%0.5422%0.223SC..Hα-helixtrans-109.6-2.4-169.9-61.6-37.5000114N130N130-N134 WeakPolarHBondContact O-CB 3.33Å; N130-N134 PolarHBondContact O-N 2.84Å; N130-N134 PolarHBondContact OD1-ND2 3.32Å
135S81.1Confident88.3Confident13 Ų1343.5 Ų43.59%0.09122%0.222CC..  trans-100.3128.2176.5-166.90000110.7E131 F137 G138E131-S135 WeakPolarHBondContact O-CB 3.5Å; E131-S135 PolarHBondContact O-N 3.47Å; E131-S135 VanDerWaalsContact OE1-CB 3.23Å; E131-S135 WeakPolarHBondContact OE1-CB 3.3Å; E131-S135 PolarHBondContact OE1-OG 3.25Å; S135-F137 PolarHBondContact O-N 3.35Å; S135-F137 VanDerWaalsContact O-N 3.08Å; S135-G138 PolarHBondContact O-N 3.03Å
136T78.4Confident88.1Confident128 Ų12840.2 Ų40.279%0.78521%0.21SC*.THydrogen-bonded Turntrans-56.2-27.3174-43.10000112.6
137F80.9Confident87.9Confident91 Ų9148.1 Ų48.140%0.39924%0.241SC..THydrogen-bonded Turntrans-110.919.3179.1-57.5-92.5000111.4S135 S139 E140 V141S135-F137 PolarHBondContact O-N 3.35Å; S135-F137 VanDerWaalsContact O-N 3.08Å; F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.9Å; F137-E140 PolarHBondContact O-N 3.42Å; F137-E140 VanDerWaalsContact O-N 3.13Å; F137-V141 WeakPolarHBondContact O-CG2 3.41Å; F137-V141 PolarHBondContact O-N 3.48Å
138G84Confident87.6Confident2 Ų251.7 Ų51.72%0.02126%0.258CS..Hα-helixtrans-55.6-44.3-172.900000112.5E131 S135 E140 V141 I142E131-G138 WeakPolarHBondContact O-CA 3.01Å; S135-G138 PolarHBondContact O-N 3.03Å; G138-E140 PolarHBondContact O-N 3.27Å; G138-V141 PolarHBondContact O-N 3.47Å; G138-I142 WeakPolarHBondContact O-CB 3.42Å; G138-I142 VanDerWaalsContact O-CG1 3.23Å; G138-I142 WeakPolarHBondContact O-CG1 3.25Å; G138-I142 PolarHBondContact O-N 2.89Å
139S83Confident87.5Confident58 Ų5852.8 Ų52.841%0.40626%0.264SS..Hα-helixtrans-60.1-42.3178.3-173.90000113.2F137 S143F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.9Å; S139-S143 WeakPolarHBondContact O-CB 3.49Å; S139-S143 PolarHBondContact O-N 3.41Å; S139-S143 PolarHBondContact O-OG 3.08Å
140E86.1Confident87.4Confident130 Ų13059.2 Ų59.261%0.60729%0.293SS*.Hα-helixtrans-68-44.7177.7-172.6-172.1167.500111.2F137 G138 S143 R144F137-E140 PolarHBondContact O-N 3.42Å; F137-E140 VanDerWaalsContact O-N 3.13Å; G138-E140 PolarHBondContact O-N 3.27Å; E140-S143 PolarHBondContact O-N 2.97Å; E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 PolarHBondContact O-N 3.06Å
141V88.3Confident87.3Confident10 Ų1059.6 Ų59.66%0.06130%0.295CS..Hα-helixtrans-61.6-45.3177.8173.40000110.9I14 E131 F137 G138 R144 F145I14-V141 HydrophobicContact CG1-CG1 4.39Å; I14-V141 HydrophobicContact CG2-CG1 4.48Å; E131-V141 HydrophobicContact CG-CB 4.37Å; E131-V141 HydrophobicContact CG-CG1 3.78Å; F137-V141 WeakPolarHBondContact O-CG2 3.41Å; F137-V141 PolarHBondContact O-N 3.48Å; G138-V141 PolarHBondContact O-N 3.47Å; V141-R144 PolarHBondContact O-N 3.23Å; V141-F145 VanDerWaalsContact O-CB 3.26Å; V141-F145 WeakPolarHBondContact O-CB 3.24Å; V141-F145 PolarHBondContact O-N 2.91Å
142I89.9Confident87.2Confident0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-64.2-47.6176.7-67.9-55.3000110.8L16 F128 E131 R132 G138 R144 F145 L146L16-I142 HydrophobicContact CD1-CD1 3.56Å; F128-I142 HydrophobicContact CD2-CD1 3.85Å; F128-I142 HydrophobicContact CE2-CD1 3.65Å; F128-I142 HydrophobicContact CE2-CG2 4.07Å; F128-I142 HydrophobicContact CG-CD1 4.38Å; F128-I142 HydrophobicContact CZ-CD1 4.01Å; F128-I142 HydrophobicContact CZ-CG2 3.78Å; E131-I142 HydrophobicContact CG-CD1 4.5Å; R132-I142 HydrophobicContact CB-CD1 4.48Å; R132-I142 HydrophobicContact CB-CG1 4.02Å; R132-I142 HydrophobicContact CG-CG1 4.15Å; G138-I142 WeakPolarHBondContact O-CB 3.42Å; G138-I142 VanDerWaalsContact O-CG1 3.23Å; G138-I142 WeakPolarHBondContact O-CG1 3.25Å; G138-I142 PolarHBondContact O-N 2.89Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.04Å; I142-F145 WeakPolarHBondContact O-CB 2.88Å; I142-F145 PolarHBondContact O-N 3.37Å; I142-L146 HydrophobicContact CG2-CD1 3.71Å; I142-L146 HydrophobicContact CG2-CG 4.19Å; I142-L146 WeakPolarHBondContact O-CG 3.23Å; I142-L146 PolarHBondContact O-N 2.89Å
143S88.6Confident87.3Confident43 Ų4364.1 Ų64.130%0.30132%0.318SS..Hα-helixtrans-58.1-42.6179.7-60.80000111.6S139 E140 L146 Y147S139-S143 WeakPolarHBondContact O-CB 3.49Å; S139-S143 PolarHBondContact O-N 3.41Å; S139-S143 PolarHBondContact O-OG 3.08Å; E140-S143 PolarHBondContact O-N 2.97Å; S143-L146 PolarHBondContact O-N 3.35Å; S143-Y147 PolarHBondContact O-N 2.79Å
144R89.3Confident87.4Confident91 Ų9164 Ų6434%0.34332%0.32SS..Hα-helixtrans-69.2-42.5176.8-171.7-175.6157.2167.61.1112.3I14 E140 V141 I142 L146 Y147 E148I14-R144 HydrophobicContact CD1-CB 3.98Å; I14-R144 HydrophobicContact CD1-CG 3.61Å; E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 PolarHBondContact O-N 3.06Å; V141-R144 PolarHBondContact O-N 3.23Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.04Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 2.89Å; R144-Y147 PolarHBondContact O-N 2.69Å; R144-E148 HydrophobicContact CG-CG 4.46Å; R144-E148 IonicContact CZ-OE1 2.75Å; R144-E148 IonicContact NE-OE1 3.86Å; R144-E148 PolarHBondContact NE-OE1 3.32Å; R144-E148 IonicContact NH2-OE1 2.86Å; R144-E148 PolarHBondContact NH2-OE1 2.92Å; R144-E148 WeakPolarHBondContact O-CG 3.33Å; R144-E148 PolarHBondContact O-N 3.22Å
145F92.1Very high87.6Confident1 Ų163 Ų630%0.00431%0.314CS..Hα-helixtrans-57.6-42.8174.7167.1-99.1000111.8I14 L16 F18 F124 F128 V141 I142 N149 V219I14-F145 HydrophobicContact CD1-CB 4.47Å; I14-F145 HydrophobicContact CG2-CB 4.08Å; I14-F145 HydrophobicContact CG2-CD2 4.04Å; L16-F145 HydrophobicContact CB-CD2 3.67Å; L16-F145 HydrophobicContact CB-CE2 3.7Å; L16-F145 HydrophobicContact CB-CG 4.21Å; L16-F145 HydrophobicContact CB-CZ 4.28Å; F18-F145 HydrophobicContact CD1-CE1 4.49Å; F18-F145 HydrophobicContact CD1-CE2 4.18Å; F18-F145 AromaticContact CD1-CZ 3.54Å; F18-F145 HydrophobicContact CD1-CZ 3.54Å; F18-F145 HydrophobicContact CE1-CE1 4.11Å; F18-F145 AromaticContact CE1-CZ 3.57Å; F18-F145 HydrophobicContact CE1-CZ 3.57Å; F124-F145 HydrophobicContact CE2-CE1 4.46Å; F124-F145 AromaticContact CE2-CZ 3.8Å; F124-F145 HydrophobicContact CE2-CZ 3.8Å; F124-F145 HydrophobicContact CZ-CE1 4.03Å; F124-F145 AromaticContact CZ-CZ 3.76Å; F124-F145 HydrophobicContact CZ-CZ 3.76Å; F128-F145 HydrophobicContact CD2-CE1 4.28Å; F128-F145 HydrophobicContact CE2-CD1 4.24Å; F128-F145 HydrophobicContact CE2-CE1 4.17Å; V141-F145 VanDerWaalsContact O-CB 3.26Å; V141-F145 WeakPolarHBondContact O-CB 3.24Å; V141-F145 PolarHBondContact O-N 2.91Å; I142-F145 WeakPolarHBondContact O-CB 2.88Å; I142-F145 PolarHBondContact O-N 3.37Å; F145-N149 WeakPolarHBondContact CD2-ND2 3.39Å; F145-N149 VanDerWaalsContact CE2-ND2 3.32Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.34Å; F145-N149 PolarHBondContact O-N 3.09Å; F145-N149 PolarHBondContact O-ND2 3.36Å; F145-V219 HydrophobicContact CE1-CG1 4.15Å
146L92.4Very high88Confident1 Ų163 Ų631%0.00531%0.313CS..Hα-helixtrans-64.2-46.2177-66.2170.6000110.8I142 S143 R144 E148 N149 H150 L151 F153 V219I142-L146 HydrophobicContact CG2-CD1 3.71Å; I142-L146 HydrophobicContact CG2-CG 4.19Å; I142-L146 WeakPolarHBondContact O-CG 3.23Å; I142-L146 PolarHBondContact O-N 2.89Å; S143-L146 PolarHBondContact O-N 3.35Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 2.89Å; L146-E148 PolarHBondContact O-N 3.41Å; L146-N149 CarbonylContact O-C 3.59Å; L146-N149 PolarHBondContact O-N 3.24Å; L146-H150 PolarHBondContact O-N 2.95Å; L146-L151 CarbonylContact C-O 3.51Å; L146-L151 HydrophobicContact CB-CB 4.16Å; L146-L151 WeakPolarHBondContact CB-O 3.48Å; L146-L151 HydrophobicContact CD2-CB 4.04Å; L146-L151 HydrophobicContact CD2-CD1 3.78Å; L146-L151 WeakPolarHBondContact O-CA 3.4Å; L146-L151 WeakPolarHBondContact O-CB 3.29Å; L146-L151 PolarHBondContact O-N 3.45Å; L146-F153 HydrophobicContact CD1-CB 4.12Å; L146-F153 HydrophobicContact CD1-CD2 4.15Å; L146-F153 HydrophobicContact CD2-CD2 3.9Å; L146-F153 HydrophobicContact CD2-CE2 4.37Å; L146-V219 HydrophobicContact CD2-CG1 4.26Å; L146-V219 HydrophobicContact CD2-CG2 3.62Å
147Y90.4Very high88.6Confident169 Ų16959.6 Ų59.666%0.66329%0.294SS*.Hα-helixtrans-58.6-47.2175.7-179.7-95.7000113S143 R144 N149 H150S143-Y147 PolarHBondContact O-N 2.79Å; R144-Y147 PolarHBondContact O-N 2.69Å; Y147-N149 PolarHBondContact O-N 2.96Å; Y147-H150 PolarHBondContact O-N 3.26Å
148E90Very high88.9Confident87 Ų8760.5 Ų60.541%0.40730%0.303SS..Hα-helixtrans-63.9-22.4179.1-73.9-178.8-176.300113I14 R144 L146I14-E148 WeakPolarHBondContact CD1-OE2 3.38Å; R144-E148 HydrophobicContact CG-CG 4.46Å; R144-E148 IonicContact CZ-OE1 2.75Å; R144-E148 IonicContact NE-OE1 3.86Å; R144-E148 PolarHBondContact NE-OE1 3.32Å; R144-E148 IonicContact NH2-OE1 2.86Å; R144-E148 PolarHBondContact NH2-OE1 2.92Å; R144-E148 WeakPolarHBondContact O-CG 3.33Å; R144-E148 PolarHBondContact O-N 3.22Å; L146-E148 PolarHBondContact O-N 3.41Å
149N91.4Very high89.2Confident24 Ų2464.2 Ų64.213%0.12833%0.329CS..THydrogen-bonded Turntrans-10014.8176.4-71.9-77.2000113.5F18 N20 F145 L146 Y147 L151F18-N149 VanDerWaalsContact CB-OD1 3.27Å; F18-N149 WeakPolarHBondContact CB-OD1 3.23Å; F18-N149 HydrophobicContact CD2-CB 4.13Å; F18-N149 WeakPolarHBondContact CD2-OD1 3.48Å; F18-N149 HydrophobicContact CE2-CB 4.27Å; F18-N149 WeakPolarHBondContact CG-OD1 3.46Å; N20-N149 PolarHBondContact ND2-OD1 3.41Å; N20-N149 VanDerWaalsContact ND2-OD1 3.13Å; F145-N149 WeakPolarHBondContact CD2-ND2 3.39Å; F145-N149 VanDerWaalsContact CE2-ND2 3.32Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.34Å; F145-N149 PolarHBondContact O-N 3.09Å; F145-N149 PolarHBondContact O-ND2 3.36Å; L146-N149 CarbonylContact O-C 3.59Å; L146-N149 PolarHBondContact O-N 3.24Å; Y147-N149 PolarHBondContact O-N 2.96Å; N149-L151 HydrophobicContact CB-CD1 4.45Å; N149-L151 HydrophobicContact CB-CG 4.38Å; N149-L151 PolarHBondContact O-N 3.04Å
150H88.9Confident89.7Confident152 Ų15264 Ų6470%0.70432%0.321SS*.THydrogen-bonded Turntrans58.527.5-178.5-50.9-67.2000113.8L146 Y147L146-H150 PolarHBondContact O-N 2.95Å; Y147-H150 PolarHBondContact O-N 3.26Å
151L89.5Confident89.9Confident17 Ų1759.8 Ų59.89%0.08930%0.3CS..  trans-9696.6172.5-60.5176.8000108.1F18 L146 N149 F153 V219F18-L151 HydrophobicContact CE2-CD1 4.17Å; F18-L151 HydrophobicContact CZ-CD1 3.87Å; L146-L151 CarbonylContact C-O 3.51Å; L146-L151 HydrophobicContact CB-CB 4.16Å; L146-L151 WeakPolarHBondContact CB-O 3.48Å; L146-L151 HydrophobicContact CD2-CB 4.04Å; L146-L151 HydrophobicContact CD2-CD1 3.78Å; L146-L151 WeakPolarHBondContact O-CA 3.4Å; L146-L151 WeakPolarHBondContact O-CB 3.29Å; L146-L151 PolarHBondContact O-N 3.45Å; N149-L151 HydrophobicContact CB-CD1 4.45Å; N149-L151 HydrophobicContact CB-CG 4.38Å; N149-L151 PolarHBondContact O-N 3.04Å; L151-F153 HydrophobicContact CB-CD2 4.02Å; L151-F153 HydrophobicContact CB-CE2 3.86Å; L151-F153 HydrophobicContact CB-CG 4.47Å; L151-F153 HydrophobicContact CB-CZ 4.12Å; L151-F153 HydrophobicContact CD1-CE2 4.21Å; L151-F153 HydrophobicContact CD2-CE2 4.33Å; L151-F153 HydrophobicContact CD2-CZ 4.09Å; L151-F153 HydrophobicContact CG-CE2 4.36Å; L151-F153 PolarHBondContact O-N 2.94Å; L151-V219 HydrophobicContact CD1-CG1 4.36Å; L151-V219 HydrophobicContact CD1-CG2 4.46Å
152H87.5Confident90.1Very high130 Ų13063.5 Ų63.560%0.60232%0.323SS*.  trans-78.465-176.5-61.9-65.1000112.1
153F89Confident90.3Very high15 Ų1569.5 Ų69.57%0.06636%0.355CS..  trans-105.9112178.5-52.2-24.7000108.9L146 L151 V187 L215 V219L146-F153 HydrophobicContact CD1-CB 4.12Å; L146-F153 HydrophobicContact CD1-CD2 4.15Å; L146-F153 HydrophobicContact CD2-CD2 3.9Å; L146-F153 HydrophobicContact CD2-CE2 4.37Å; L151-F153 HydrophobicContact CB-CD2 4.02Å; L151-F153 HydrophobicContact CB-CE2 3.86Å; L151-F153 HydrophobicContact CB-CG 4.47Å; L151-F153 HydrophobicContact CB-CZ 4.12Å; L151-F153 HydrophobicContact CD1-CE2 4.21Å; L151-F153 HydrophobicContact CD2-CE2 4.33Å; L151-F153 HydrophobicContact CD2-CZ 4.09Å; L151-F153 HydrophobicContact CG-CE2 4.36Å; L151-F153 PolarHBondContact O-N 2.94Å; F153-V187 HydrophobicContact CB-CG2 4.21Å; F153-V187 HydrophobicContact CD1-CB 4.08Å; F153-V187 HydrophobicContact CD1-CG1 3.58Å; F153-V187 HydrophobicContact CD1-CG2 3.47Å; F153-V187 VanDerWaalsContact CD1-CG2 3.47Å; F153-V187 HydrophobicContact CE1-CB 4.41Å; F153-V187 HydrophobicContact CE1-CG1 3.48Å; F153-V187 VanDerWaalsContact CE1-CG1 3.48Å; F153-V187 HydrophobicContact CE1-CG2 4.08Å; F153-V187 HydrophobicContact CG-CG2 4Å; F153-L215 HydrophobicContact CB-CD1 3.94Å; F153-L215 HydrophobicContact CD2-CD1 3.36Å; F153-L215 HydrophobicContact CD2-CG 4.46Å; F153-L215 HydrophobicContact CE2-CD1 3.99Å; F153-L215 HydrophobicContact CG-CD1 3.78Å; F153-V219 HydrophobicContact CD2-CG2 4.2Å; F153-V219 HydrophobicContact CE2-CG2 3.85Å
154T89.6Confident90.5Very high82 Ų8268.4 Ų68.450%0.50335%0.346SS..EExtended strand (participates in β ladder)trans-103.5133.7-179.447.50000110.3M156 Y185 K186T154-M156 PolarHBondContact O-N 3.46Å; T154-Y185 CarbonylContact O-C 3.5Å; T154-Y185 WeakPolarHBondContact O-CA 3.38Å; T154-K186 PolarHBondContact N-O 3.13Å; T154-K186 PolarHBondContact O-N 3.12Å; T154-K186 PolarHBondContact OG1-O 2.86Å
155L88.7Confident90.7Very high80 Ų8065.8 Ų65.842%0.41934%0.338SS..EExtended strand (participates in β ladder)trans-66.5129.9175.5-177.668.5000109.6A183 Y185L155-A183 HydrophobicContact CD1-CB 4.11Å; L155-Y185 HydrophobicContact CB-CD1 4.44Å; L155-Y185 HydrophobicContact CB-CE1 4.18Å; L155-Y185 HydrophobicContact CD1-CD1 4.35Å; L155-Y185 HydrophobicContact CD1-CE1 3.88Å; L155-Y185 HydrophobicContact CD1-CE2 4.08Å
156M89.8Confident90.7Very high13 Ų1372 Ų726%0.06437%0.371CS..PPolyproline II helixtrans-68.9136.6173.7-177.4-170.5-77.500109.8T154 E160 R161 L168 F184 F209T154-M156 PolarHBondContact O-N 3.46Å; M156-E160 HydrophobicContact CG-CB 3.91Å; M156-E160 HydrophobicContact CG-CG 4.03Å; M156-R161 HydrophobicContact CG-CB 4.34Å; M156-R161 WeakPolarHBondContact SD-CA 3.5Å; M156-R161 HydrophobicContact SD-CB 3.53Å; M156-R161 VanDerWaalsContact SD-CB 3.53Å; M156-R161 HydrophobicContact SD-CG 4.1Å; M156-L168 HydrophobicContact CE-CD1 4.27Å; M156-L168 HydrophobicContact CE-CD2 4.23Å; M156-L168 HydrophobicContact SD-CD1 4.18Å; M156-F184 HydrophobicContact CB-CB 4.06Å; M156-F184 WeakPolarHBondContact CB-O 3.35Å; M156-F184 HydrophobicContact CE-CB 3.86Å; M156-F184 PolarHBondContact N-O 3.16Å; M156-F184 HydrophobicContact SD-CB 3.87Å; M156-F209 HydrophobicContact CE-CB 3.91Å; M156-F209 HydrophobicContact CE-CD1 2.98Å; M156-F209 HydrophobicContact CE-CE1 3.45Å; M156-F209 VanDerWaalsContact CE-CE1 3.45Å; M156-F209 HydrophobicContact CE-CG 3.58Å; M156-F209 HydrophobicContact CE-CZ 4.39Å
157S90.6Very high90.8Very high55 Ų5578.6 Ų78.639%0.38540%0.397SS..PPolyproline II helixtrans-72.5151.4173.673.50000111.7S159 E160 R161S157-S159 PolarHBondContact O-N 2.61Å; S157-S159 PolarHBondContact OG-OG 3.18Å; S157-E160 PolarHBondContact O-N 2.74Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-E160 WeakPolarHBondContact OG-CB 3.28Å; S157-E160 PolarHBondContact OG-N 3.09Å; S157-E160 VanDerWaalsContact OG-N 3.15Å; S157-R161 PolarHBondContact O-N 3.04Å
158D87.3Confident91Very high110 Ų11070.6 Ų70.659%0.58837%0.366SS*.Hα-helixtrans-59.1-31.8175.8-77.7-51000113.3R161 T162D158-R161 IonicContact OD1-CZ 3.25Å; D158-R161 IonicContact OD1-NE 3.87Å; D158-R161 PolarHBondContact OD1-NE 2.96Å; D158-R161 IonicContact OD1-NH2 3.54Å; D158-R161 PolarHBondContact OD1-NH2 3.04Å; D158-T162 WeakPolarHBondContact O-CB 3.07Å; D158-T162 PolarHBondContact O-N 2.84Å; D158-T162 PolarHBondContact O-OG1 2.88Å
159S91.5Very high91.1Very high80 Ų8070.6 Ų70.656%0.55937%0.368SS*.Hα-helixtrans-66.2-45175.467.60000112.4S157 R161 T162 N163S157-S159 PolarHBondContact O-N 2.61Å; S157-S159 PolarHBondContact OG-OG 3.18Å; S159-R161 VanDerWaalsContact C-N 3.34Å; S159-T162 PolarHBondContact O-N 3.39Å; S159-N163 PolarHBondContact O-N 3.41Å; S159-N163 VanDerWaalsContact O-N 3.11Å; S159-N163 PolarHBondContact O-ND2 3.11Å
160E92.4Very high91.1Very high53 Ų5373.8 Ų73.825%0.24840%0.397CS..Hα-helixtrans-65.7-40.4177.1-173.3176.4-159.500110.5M156 S157 N163 L164 K186M156-E160 HydrophobicContact CG-CB 3.91Å; M156-E160 HydrophobicContact CG-CG 4.03Å; S157-E160 PolarHBondContact O-N 2.74Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-E160 WeakPolarHBondContact OG-CB 3.28Å; S157-E160 PolarHBondContact OG-N 3.09Å; S157-E160 VanDerWaalsContact OG-N 3.15Å; E160-N163 PolarHBondContact O-N 2.8Å; E160-L164 HydrophobicContact CG-CD1 4.01Å; E160-L164 WeakPolarHBondContact O-CB 3.43Å; E160-L164 WeakPolarHBondContact O-CG 3.48Å; E160-L164 PolarHBondContact O-N 2.99Å; E160-K186 IonicContact OE1-NZ 3.98Å
161R91.7Very high91.1Very high42 Ų4267.5 Ų67.516%0.15837%0.374CS..Hα-helixtrans-59.6-47.1175.6-173.9177.159.586.6-4112.3M156 S157 D158 S159 N163 L164 L165 L168 H179 N180M156-R161 HydrophobicContact CG-CB 4.34Å; M156-R161 WeakPolarHBondContact SD-CA 3.5Å; M156-R161 HydrophobicContact SD-CB 3.53Å; M156-R161 VanDerWaalsContact SD-CB 3.53Å; M156-R161 HydrophobicContact SD-CG 4.1Å; S157-R161 PolarHBondContact O-N 3.04Å; D158-R161 IonicContact OD1-CZ 3.25Å; D158-R161 IonicContact OD1-NE 3.87Å; D158-R161 PolarHBondContact OD1-NE 2.96Å; D158-R161 IonicContact OD1-NH2 3.54Å; D158-R161 PolarHBondContact OD1-NH2 3.04Å; S159-R161 VanDerWaalsContact C-N 3.34Å; R161-N163 VanDerWaalsContact C-N 3.33Å; R161-N163 PolarHBondContact O-N 3.05Å; R161-L164 CarbonylContact O-C 3.56Å; R161-L164 PolarHBondContact O-N 3.39Å; R161-L165 WeakPolarHBondContact O-CA 3.33Å; R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 3.16Å; R161-L168 HydrophobicContact CG-CD1 4.09Å; R161-H179 PolarHBondContact NH1-O 3.06Å; R161-N180 PolarHBondContact NH1-O 3.26Å; R161-N180 PolarHBondContact NH2-O 2.97Å
162T91.7Very high91.1Very high89 Ų8967 Ų6755%0.54637%0.372SS..Hα-helixtrans-62.8-42.4179.7-54.90000110.9D158 S159 L164 L165D158-T162 WeakPolarHBondContact O-CB 3.07Å; D158-T162 PolarHBondContact O-N 2.84Å; D158-T162 PolarHBondContact O-OG1 2.88Å; S159-T162 PolarHBondContact O-N 3.39Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.63Å; T162-L165 WeakPolarHBondContact O-CB 3.44Å; T162-L165 PolarHBondContact O-N 3.31Å
163N93.6Very high91Very high126 Ų12664.2 Ų64.267%0.67437%0.371SS*.Hα-helixtrans-66.9-34.3179.2-68.3-20.6000113.1S159 E160 R161S159-N163 PolarHBondContact O-N 3.41Å; S159-N163 VanDerWaalsContact O-N 3.11Å; S159-N163 PolarHBondContact O-ND2 3.11Å; E160-N163 PolarHBondContact O-N 2.8Å; R161-N163 VanDerWaalsContact C-N 3.33Å; R161-N163 PolarHBondContact O-N 3.05Å
164L93.4Very high90.6Very high20 Ų2064.3 Ų64.311%0.10537%0.373CS..Hα-helixtrans-984.8-177.7-62.3179.6000113.6E160 R161 T162 N166 Y167 L168 F202 F209E160-L164 HydrophobicContact CG-CD1 4.01Å; E160-L164 WeakPolarHBondContact O-CB 3.43Å; E160-L164 WeakPolarHBondContact O-CG 3.48Å; E160-L164 PolarHBondContact O-N 2.99Å; R161-L164 CarbonylContact O-C 3.56Å; R161-L164 PolarHBondContact O-N 3.39Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.63Å; L164-N166 PolarHBondContact O-N 3.37Å; L164-Y167 HydrophobicContact CD2-CD2 4.09Å; L164-Y167 CarbonylContact O-C 3.57Å; L164-Y167 WeakPolarHBondContact O-CA 3.34Å; L164-Y167 WeakPolarHBondContact O-CB 3.33Å; L164-Y167 PolarHBondContact O-N 3.19Å; L164-L168 HydrophobicContact CB-CD1 4.38Å; L164-L168 HydrophobicContact CB-CG 4.25Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.28Å; L164-F202 HydrophobicContact CD1-CE1 4.47Å; L164-F209 HydrophobicContact CD1-CE1 4.32Å; L164-F209 HydrophobicContact CD1-CE2 4.08Å; L164-F209 HydrophobicContact CD1-CZ 3.72Å
165L92.8Very high90.2Very high36 Ų3667.3 Ų67.319%0.18839%0.391CS..Hα-helixtrans-53.8-47.4-168.7-174.962.7000113.3R161 T162 Y167 L168 I169 H179R161-L165 WeakPolarHBondContact O-CA 3.33Å; R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 3.16Å; T162-L165 WeakPolarHBondContact O-CB 3.44Å; T162-L165 PolarHBondContact O-N 3.31Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 2.99Å; L165-L168 PolarHBondContact O-N 2.85Å; L165-I169 HydrophobicContact CD1-CD1 4.21Å; L165-I169 HydrophobicContact CD1-CG1 4.46Å; L165-I169 HydrophobicContact CG-CD1 3.97Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.46Å; L165-I169 PolarHBondContact O-N 3.23Å; L165-H179 HydrophobicContact CD1-CB 3.84Å
166N93.1Very high90Very high131 Ų13167.3 Ų67.370%0.70141%0.41SS*.Hα-helixtrans-60.7-38178.5-68.9-21.4000112.3L164 A170L164-N166 PolarHBondContact O-N 3.37Å; N166-A170 VanDerWaalsContact O-CB 3.32Å; N166-A170 WeakPolarHBondContact O-CB 3.31Å; N166-A170 PolarHBondContact O-N 2.93Å
167Y94.3Very high89.8Confident140 Ų14067.8 Ų67.855%0.54941%0.412SS..Hα-helixtrans-73.9-36.9177.2-61.5-71.2000112.2L164 L165 A170 G171 F202L164-Y167 HydrophobicContact CD2-CD2 4.09Å; L164-Y167 CarbonylContact O-C 3.57Å; L164-Y167 WeakPolarHBondContact O-CA 3.34Å; L164-Y167 WeakPolarHBondContact O-CB 3.33Å; L164-Y167 PolarHBondContact O-N 3.19Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 2.99Å; Y167-A170 PolarHBondContact O-N 3.01Å; Y167-G171 WeakPolarHBondContact O-CA 3.48Å; Y167-G171 PolarHBondContact O-N 3.41Å; Y167-F202 HydrophobicContact CD1-CE2 4.43Å; Y167-F202 HydrophobicContact CD1-CZ 4.42Å; Y167-F202 HydrophobicContact CG-CE2 4.34Å; Y167-F202 HydrophobicContact CG-CZ 4.02Å
168L93.6Very high89.7Confident0 Ų068.5 Ų68.50%041%0.412CS..Hα-helixtrans-61.6-47.2174.1-66.8173.2000110.3M156 R161 L164 L165 G171 T172 H179 F184 F202 F209M156-L168 HydrophobicContact CE-CD1 4.27Å; M156-L168 HydrophobicContact CE-CD2 4.23Å; M156-L168 HydrophobicContact SD-CD1 4.18Å; R161-L168 HydrophobicContact CG-CD1 4.09Å; L164-L168 HydrophobicContact CB-CD1 4.38Å; L164-L168 HydrophobicContact CB-CG 4.25Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.28Å; L165-L168 PolarHBondContact O-N 2.85Å; L168-G171 PolarHBondContact O-N 2.94Å; L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.46Å; L168-T172 PolarHBondContact O-OG1 2.74Å; L168-H179 PolarHBondContact O-NE2 2.89Å; L168-F184 HydrophobicContact CD1-CD2 4.35Å; L168-F184 HydrophobicContact CD1-CE2 4.38Å; L168-F184 HydrophobicContact CD2-CD1 4.11Å; L168-F184 HydrophobicContact CD2-CE1 4.12Å; L168-F202 HydrophobicContact CD2-CB 4.1Å; L168-F202 HydrophobicContact CD2-CD1 3.93Å; L168-F202 HydrophobicContact CD2-CG 4.44Å; L168-F209 HydrophobicContact CD2-CB 3.78Å; L168-F209 HydrophobicContact CD2-CD2 4.46Å; L168-F209 HydrophobicContact CD2-CG 4.24Å
169I92.3Very high89.8Confident88 Ų8864.3 Ų64.345%0.45139%0.389SS..Hα-helixtrans-61.1-47.1176.7-66.9166.2000111L165 G171 H179L165-I169 HydrophobicContact CD1-CD1 4.21Å; L165-I169 HydrophobicContact CD1-CG1 4.46Å; L165-I169 HydrophobicContact CG-CD1 3.97Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.46Å; L165-I169 PolarHBondContact O-N 3.23Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.31Å; I169-H179 HydrophobicContact CG1-CB 3.81Å
170A90.9Very high89.5Confident90 Ų9064.9 Ų64.974%0.74439%0.386SS*.Hα-helixtrans-69.8-30.5-17900000113.4N166 Y167N166-A170 VanDerWaalsContact O-CB 3.32Å; N166-A170 WeakPolarHBondContact O-CB 3.31Å; N166-A170 PolarHBondContact O-N 2.93Å; Y167-A170 PolarHBondContact O-N 3.01Å
171G89.9Confident89.3Confident21 Ų2167.4 Ų67.422%0.21641%0.405CS..Hα-helixtrans-99.3-9.6-172.400000115.7Y167 L168 I169 V201Y167-G171 WeakPolarHBondContact O-CA 3.48Å; Y167-G171 PolarHBondContact O-N 3.41Å; L168-G171 PolarHBondContact O-N 2.94Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.31Å; G171-V201 CarbonylContact O-C 3.5Å; G171-V201 VanDerWaalsContact O-C 3.27Å
172T90.3Very high89.2Confident7 Ų766.5 Ų66.54%0.04340%0.404CS..  trans-113.990.5-173.9-49.60000110.1L168 T174 F184 R200 P211L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.46Å; L168-T172 PolarHBondContact O-OG1 2.74Å; T172-T174 PolarHBondContact O-N 3.01Å; T172-F184 HydrophobicContact CG2-CE1 4.4Å; T172-R200 WeakPolarHBondContact CG2-O 3.39Å; T172-P211 HydrophobicContact CG2-CG 4.19Å
173A84.1Confident89Confident71 Ų7163.6 Ų63.659%0.58739%0.389SS*.  trans-76.615179.600000114.4V175 R199A173-V175 PolarHBondContact O-N 2.77Å; A173-R199 VanDerWaalsContact CB-O 3.22Å; A173-R199 WeakPolarHBondContact CB-O 3.16Å; A173-R199 PolarHBondContact N-O 3.09Å
174T81.5Confident89Confident17 Ų1757.7 Ų57.710%0.10436%0.358CS..  trans-74.2122.6-178.5-63.10000110.6T172 I177 R200 D214T172-T174 PolarHBondContact O-N 3.01Å; T174-I177 HydrophobicContact CG2-CD1 4.06Å; T174-I177 HydrophobicContact CG2-CG1 3.54Å; T174-R200 WeakPolarHBondContact OG1-CB 3.42Å; T174-R200 PolarHBondContact OG1-NE 3.1Å; T174-R200 PolarHBondContact OG1-O 3.44Å; T174-D214 PolarHBondContact OG1-OD2 2.83Å
175V81Confident89Confident144 Ų14457.1 Ų57.187%0.87335%0.354SS*.THydrogen-bonded Turntrans-67.2138.3-177.9-177.90000111.1A173 I177A173-V175 PolarHBondContact O-N 2.77Å; V175-I177 VanDerWaalsContact C-N 3.33Å; V175-I177 PolarHBondContact O-N 2.7Å
176G83.7Confident89Confident80 Ų8058 Ų5883%0.82536%0.356SS*.THydrogen-bonded Turntrans80.18.5173.500000115.2
177I85.2Confident89.1Confident23 Ų2351.8 Ų51.812%0.11832%0.323CS..  trans-86.3119.3175.9-59.6-60.6000109.9T174 V175 H179 T182 F184 P211 P213T174-I177 HydrophobicContact CG2-CD1 4.06Å; T174-I177 HydrophobicContact CG2-CG1 3.54Å; V175-I177 VanDerWaalsContact C-N 3.33Å; V175-I177 PolarHBondContact O-N 2.7Å; I177-H179 PolarHBondContact O-ND1 3.42Å; I177-T182 HydrophobicContact CD1-CG2 4.33Å; I177-T182 HydrophobicContact CG2-CG2 4.05Å; I177-F184 HydrophobicContact CG2-CZ 4.3Å; I177-P211 HydrophobicContact CD1-CB 4.14Å; I177-P211 HydrophobicContact CG1-CB 4.38Å; I177-P211 HydrophobicContact CG2-CB 4.39Å; I177-P213 HydrophobicContact CD1-CG 3.76Å
178D89.9Confident89.1Confident70 Ų7048.8 Ų48.837%0.37431%0.314SS..  trans-85.7109163.417517000109.3N180 T181 T182D178-N180 PolarHBondContact O-N 2.88Å; D178-N180 VanDerWaalsContact O-N 3.16Å; D178-N180 WeakPolarHBondContact OD1-CB 3.39Å; D178-N180 PolarHBondContact OD1-N 2.88Å; D178-N180 PolarHBondContact OD1-ND2 3.01Å; D178-T181 WeakPolarHBondContact CB-OG1 3.42Å; D178-T181 VanDerWaalsContact CG-OG1 3.25Å; D178-T181 PolarHBondContact O-N 3Å; D178-T181 VanDerWaalsContact OD2-CG2 3.24Å; D178-T181 WeakPolarHBondContact OD2-CG2 3.38Å; D178-T181 PolarHBondContact OD2-OG1 3.3Å; D178-T182 WeakPolarHBondContact O-CB 3.36Å; D178-T182 PolarHBondContact O-N 3Å; D178-T182 PolarHBondContact O-OG1 3.41Å
179H88.3Confident89.2Confident22 Ų2253.2 Ų53.210%0.10233%0.333CS..THydrogen-bonded Turntrans-66.2-14.9-177.7-62.778.6000113R161 L165 L168 I169 I177 F184R161-H179 PolarHBondContact NH1-O 3.06Å; L165-H179 HydrophobicContact CD1-CB 3.84Å; L168-H179 PolarHBondContact O-NE2 2.89Å; I169-H179 HydrophobicContact CG1-CB 3.81Å; I177-H179 PolarHBondContact O-ND1 3.42Å; H179-F184 AromaticContact CD2-CZ 3.79Å
180N86.5Confident89.2Confident92 Ų9252.4 Ų52.449%0.49233%0.333SS..THydrogen-bonded Turntrans-84.5-24.8177.9-61.8-58.2000113.5R161 D178R161-N180 PolarHBondContact NH1-O 3.26Å; R161-N180 PolarHBondContact NH2-O 2.97Å; D178-N180 PolarHBondContact O-N 2.88Å; D178-N180 VanDerWaalsContact O-N 3.16Å; D178-N180 WeakPolarHBondContact OD1-CB 3.39Å; D178-N180 PolarHBondContact OD1-N 2.88Å; D178-N180 PolarHBondContact OD1-ND2 3.01Å
181T87.7Confident89.2Confident107 Ų10753.7 Ų53.766%0.65632%0.324SS*.THydrogen-bonded Turntrans-120.2-26.7-173.354.80000113.2D178 A183D178-T181 WeakPolarHBondContact CB-OG1 3.42Å; D178-T181 VanDerWaalsContact CG-OG1 3.25Å; D178-T181 PolarHBondContact O-N 3Å; D178-T181 VanDerWaalsContact OD2-CG2 3.24Å; D178-T181 WeakPolarHBondContact OD2-CG2 3.38Å; D178-T181 PolarHBondContact OD2-OG1 3.3Å; T181-A183 PolarHBondContact O-N 3.14Å
182T89.3Confident89.4Confident22 Ų2252.8 Ų52.814%0.13531%0.314CS..SBendtrans-70.4131.5-178.1-54.50000110.9I177 D178 F184 P211 E212I177-T182 HydrophobicContact CD1-CG2 4.33Å; I177-T182 HydrophobicContact CG2-CG2 4.05Å; D178-T182 WeakPolarHBondContact O-CB 3.36Å; D178-T182 PolarHBondContact O-N 3Å; D178-T182 PolarHBondContact O-OG1 3.41Å; T182-F184 VanDerWaalsContact O-CD2 3.26Å; T182-F184 WeakPolarHBondContact O-CD2 3.48Å; T182-P211 HydrophobicContact CG2-CB 4.23Å; T182-E212 HydrophobicContact CG2-CB 4.18Å
183A88.6Confident89.6Confident29 Ų2956.2 Ų56.224%0.2434%0.336CS..  trans-70.1136.817300000111.1L155 T181 Y185 E212L155-A183 HydrophobicContact CD1-CB 4.11Å; T181-A183 PolarHBondContact O-N 3.14Å; A183-Y185 HydrophobicContact CB-CE2 4.27Å; A183-E212 HydrophobicContact CB-CB 4.38Å; A183-E212 WeakPolarHBondContact O-CB 3.27Å; A183-E212 PolarHBondContact O-N 3.37Å
184F92.5Very high90Very high2 Ų257.3 Ų57.31%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-111.2144.9175.1-76.7-94.8000110.8M156 L168 T172 I177 H179 T182 F209 V210 P211M156-F184 HydrophobicContact CB-CB 4.06Å; M156-F184 WeakPolarHBondContact CB-O 3.35Å; M156-F184 HydrophobicContact CE-CB 3.86Å; M156-F184 PolarHBondContact N-O 3.16Å; M156-F184 HydrophobicContact SD-CB 3.87Å; L168-F184 HydrophobicContact CD1-CD2 4.35Å; L168-F184 HydrophobicContact CD1-CE2 4.38Å; L168-F184 HydrophobicContact CD2-CD1 4.11Å; L168-F184 HydrophobicContact CD2-CE1 4.12Å; T172-F184 HydrophobicContact CG2-CE1 4.4Å; I177-F184 HydrophobicContact CG2-CZ 4.3Å; H179-F184 AromaticContact CD2-CZ 3.79Å; T182-F184 VanDerWaalsContact O-CD2 3.26Å; T182-F184 WeakPolarHBondContact O-CD2 3.48Å; F184-F209 HydrophobicContact CD1-CB 4.31Å; F184-V210 WeakPolarHBondContact CA-O 3.2Å; F184-P211 HydrophobicContact CD1-CB 4.36Å; F184-P211 HydrophobicContact CE1-CB 3.94Å; F184-P211 HydrophobicContact CZ-CB 4.32Å
185Y93.1Very high90.5Very high8 Ų857.1 Ų57.13%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-118130.9177.8-69.6-97.6000109.7T154 L155 A183 F209 V210 E212 L215T154-Y185 CarbonylContact O-C 3.5Å; T154-Y185 WeakPolarHBondContact O-CA 3.38Å; L155-Y185 HydrophobicContact CB-CD1 4.44Å; L155-Y185 HydrophobicContact CB-CE1 4.18Å; L155-Y185 HydrophobicContact CD1-CD1 4.35Å; L155-Y185 HydrophobicContact CD1-CE1 3.88Å; L155-Y185 HydrophobicContact CD1-CE2 4.08Å; A183-Y185 HydrophobicContact CB-CE2 4.27Å; Y185-F209 CarbonylContact O-C 3.37Å; Y185-F209 WeakPolarHBondContact O-CA 3.39Å; Y185-V210 PolarHBondContact N-O 2.8Å; Y185-V210 PolarHBondContact O-N 2.81Å; Y185-E212 HydrophobicContact CE2-CB 4.37Å; Y185-L215 HydrophobicContact CD1-CD1 4.28Å; Y185-L215 HydrophobicContact CD1-CD2 3.74Å; Y185-L215 HydrophobicContact CD2-CB 4.18Å; Y185-L215 HydrophobicContact CD2-CD1 4.39Å; Y185-L215 HydrophobicContact CD2-CD2 3.62Å; Y185-L215 HydrophobicContact CD2-CG 4.27Å; Y185-L215 HydrophobicContact CE1-CD2 3.61Å; Y185-L215 HydrophobicContact CE2-CD2 3.49Å; Y185-L215 VanDerWaalsContact CE2-CD2 3.49Å; Y185-L215 HydrophobicContact CG-CD1 3.98Å; Y185-L215 HydrophobicContact CG-CD2 3.73Å; Y185-L215 HydrophobicContact CG-CG 4.31Å; Y185-L215 VanDerWaalsContact CZ-CD2 3.46Å
186K94Very high91.2Very high54 Ų5452.9 Ų52.924%0.23530%0.302CS..EExtended strand (participates in β ladder)trans-84.4120.9173.7-174.5176.9-170.6163.40108.6T154 E160 Y207 F209T154-K186 PolarHBondContact N-O 3.13Å; T154-K186 PolarHBondContact O-N 3.12Å; T154-K186 PolarHBondContact OG1-O 2.86Å; E160-K186 IonicContact OE1-NZ 3.98Å; K186-Y207 HydrophobicContact CD-CD1 4.27Å; K186-Y207 HydrophobicContact CD-CG 4.19Å; K186-Y207 VanDerWaalsContact CE-CD2 3.47Å; K186-Y207 HydrophobicContact CG-CD1 3.73Å; K186-Y207 HydrophobicContact CG-CG 3.83Å; K186-F209 HydrophobicContact CB-CD1 4.24Å; K186-F209 HydrophobicContact CB-CE1 4.3Å; K186-F209 HydrophobicContact CD-CE1 4.21Å; K186-F209 HydrophobicContact CG-CD1 4.36Å; K186-F209 HydrophobicContact CG-CE1 4.07Å
187V94.1Very high91.7Very high1 Ų158.2 Ų58.21%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-132.3142.3-175.5-177.70000108.4F153 F189 E191 V192 Y207 A208 V210F153-V187 HydrophobicContact CB-CG2 4.21Å; F153-V187 HydrophobicContact CD1-CB 4.08Å; F153-V187 HydrophobicContact CD1-CG1 3.58Å; F153-V187 HydrophobicContact CD1-CG2 3.47Å; F153-V187 VanDerWaalsContact CD1-CG2 3.47Å; F153-V187 HydrophobicContact CE1-CB 4.41Å; F153-V187 HydrophobicContact CE1-CG1 3.48Å; F153-V187 VanDerWaalsContact CE1-CG1 3.48Å; F153-V187 HydrophobicContact CE1-CG2 4.08Å; F153-V187 HydrophobicContact CG-CG2 4Å; V187-F189 PolarHBondContact O-N 3.22Å; V187-E191 HydrophobicContact CG1-CB 3.8Å; V187-E191 HydrophobicContact CG1-CG 4.35Å; V187-V192 HydrophobicContact CG1-CG1 3.98Å; V187-Y207 CarbonylContact O-C 3.27Å; V187-Y207 WeakPolarHBondContact O-CA 3.46Å; V187-A208 PolarHBondContact N-O 3.14Å; V187-A208 PolarHBondContact O-N 3.29Å; V187-V210 HydrophobicContact CB-CG2 4Å; V187-V210 HydrophobicContact CG2-CB 4.36Å; V187-V210 HydrophobicContact CG2-CG2 3.7Å
188H95.3Very high92Very high76 Ų7659.9 Ų59.935%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-63.7136174.9-172-106.8000110.2T190 E191 G206H188-T190 VanDerWaalsContact CE1-CG2 3.42Å; H188-T190 WeakPolarHBondContact CE1-CG2 3.47Å; H188-T190 PolarHBondContact CE1-OG1 3.32Å; H188-T190 PolarHBondContact ND1-OG1 3.32Å; H188-T190 PolarHBondContact O-N 2.81Å; H188-T190 VanDerWaalsContact O-N 3.07Å; H188-E191 HydrophobicContact CB-CG 4.44Å; H188-E191 WeakPolarHBondContact O-CB 3.27Å; H188-E191 PolarHBondContact O-N 2.66Å; H188-G206 PolarHBondContact CD2-O 3.14Å; H188-G206 VanDerWaalsContact CD2-O 3.26Å
189F94.6Very high92.1Very high93 Ų9366 Ų6641%0.40833%0.329SS..G310 helixtrans-60.5-26.8-16981.5-79.8000113.9V187 E191 V192 I196 V203 G206V187-F189 PolarHBondContact O-N 3.22Å; F189-E191 PolarHBondContact O-N 3.32Å; F189-V192 PolarHBondContact O-N 3.02Å; F189-I196 HydrophobicContact CB-CD1 3.79Å; F189-I196 HydrophobicContact CD2-CD1 4.3Å; F189-I196 VanDerWaalsContact O-CD1 3.27Å; F189-I196 WeakPolarHBondContact O-CD1 3.48Å; F189-V203 HydrophobicContact CB-CG1 4.33Å; F189-G206 VanDerWaalsContact CD1-O 3.29Å; F189-G206 WeakPolarHBondContact CD1-O 3.49Å; F189-G206 PolarHBondContact N-O 3.12Å; F189-G206 VanDerWaalsContact N-O 3.17Å
190T93.5Very high92.3Very high72 Ų7268.8 Ų68.844%0.44234%0.339SS..G310 helixtrans-66.7-21.6178.2600000113.6H188 P193H188-T190 VanDerWaalsContact CE1-CG2 3.42Å; H188-T190 WeakPolarHBondContact CE1-CG2 3.47Å; H188-T190 PolarHBondContact CE1-OG1 3.32Å; H188-T190 PolarHBondContact ND1-OG1 3.32Å; H188-T190 PolarHBondContact O-N 2.81Å; H188-T190 VanDerWaalsContact O-N 3.07Å; T190-P193 WeakPolarHBondContact O-CD 3.39Å
191E90.7Very high92.7Very high117 Ų11764.8 Ų64.855%0.54732%0.317SS..G310 helixtrans-82.5-16.8-178.8-58.5-56127.600112.3V187 H188 F189V187-E191 HydrophobicContact CG1-CB 3.8Å; V187-E191 HydrophobicContact CG1-CG 4.35Å; H188-E191 HydrophobicContact CB-CG 4.44Å; H188-E191 WeakPolarHBondContact O-CB 3.27Å; H188-E191 PolarHBondContact O-N 2.66Å; F189-E191 PolarHBondContact O-N 3.32Å
192V93.3Very high93.1Very high2 Ų261.1 Ų61.11%0.01229%0.292CS..  trans-128.845.8-173.6-63.40000114.2V187 F189 D194 L195 I196 A208 V210 L218V187-V192 HydrophobicContact CG1-CG1 3.98Å; F189-V192 PolarHBondContact O-N 3.02Å; V192-D194 PolarHBondContact O-N 3.09Å; V192-L195 HydrophobicContact CB-CB 4.27Å; V192-L195 HydrophobicContact CB-CD1 4.14Å; V192-L195 HydrophobicContact CB-CG 4.37Å; V192-L195 HydrophobicContact CG1-CD1 4.19Å; V192-L195 PolarHBondContact O-N 3.23Å; V192-L195 VanDerWaalsContact O-N 3.16Å; V192-I196 HydrophobicContact CG2-CD1 4.26Å; V192-I196 HydrophobicContact CG2-CG1 4.38Å; V192-I196 WeakPolarHBondContact O-CG1 3.4Å; V192-I196 PolarHBondContact O-N 3.35Å; V192-A208 HydrophobicContact CG2-CB 3.44Å; V192-A208 VanDerWaalsContact CG2-CB 3.44Å; V192-V210 HydrophobicContact CG1-CG2 4.18Å; V192-V210 HydrophobicContact CG2-CG2 4.48Å; V192-L218 HydrophobicContact CG1-CD1 3.42Å; V192-L218 VanDerWaalsContact CG1-CD1 3.42Å; V192-L218 HydrophobicContact CG1-CD2 4.02Å; V192-L218 HydrophobicContact CG1-CG 4.37Å
193P93.8Very high93.4Very high78 Ų7863 Ų6351%0.50630%0.304SS..Hα-helixtrans-60.5-34.2-176.226.7-35000112.6T190 I196 R197T190-P193 WeakPolarHBondContact O-CD 3.39Å; P193-I196 PolarHBondContact O-N 3.24Å; P193-R197 WeakPolarHBondContact O-CB 3.39Å; P193-R197 PolarHBondContact O-N 3.47Å
194D92.6Very high93.7Very high94 Ų9466 Ų6650%0.50331%0.312SS..Hα-helixtrans-66.9-37.9179.4-73.5-42.7000112.9V192 R197 S198V192-D194 PolarHBondContact O-N 3.09Å; D194-R197 IonicContact OD1-CZ 3.33Å; D194-R197 IonicContact OD1-NH1 3.49Å; D194-R197 PolarHBondContact OD1-NH1 2.8Å; D194-R197 IonicContact OD1-NH2 2.74Å; D194-R197 PolarHBondContact OD1-NH2 3.3Å; D194-S198 PolarHBondContact O-N 2.79Å; D194-S198 VanDerWaalsContact O-N 3.15Å; D194-S198 PolarHBondContact O-OG 3.13Å
195L93.6Very high93.8Very high13 Ų1369.3 Ų69.37%0.06835%0.347CS..Hα-helixtrans-71.4-36.1177.6-62.2-176.5000111.2V192 S198 R199 R200 V201 V210 D214 L218V192-L195 HydrophobicContact CB-CB 4.27Å; V192-L195 HydrophobicContact CB-CD1 4.14Å; V192-L195 HydrophobicContact CB-CG 4.37Å; V192-L195 HydrophobicContact CG1-CD1 4.19Å; V192-L195 PolarHBondContact O-N 3.23Å; V192-L195 VanDerWaalsContact O-N 3.16Å; L195-S198 PolarHBondContact O-N 2.98Å; L195-S198 PolarHBondContact O-OG 3.43Å; L195-R199 PolarHBondContact O-N 3.43Å; L195-R199 VanDerWaalsContact O-N 3.16Å; L195-R200 HydrophobicContact CB-CB 4.49Å; L195-R200 HydrophobicContact CD2-CB 4.31Å; L195-R200 PolarHBondContact O-N 2.82Å; L195-V201 HydrophobicContact CB-CB 4.46Å; L195-V201 HydrophobicContact CB-CG1 3.81Å; L195-V201 HydrophobicContact CB-CG2 3.79Å; L195-V201 HydrophobicContact CD1-CG1 3.87Å; L195-V201 HydrophobicContact CG-CG1 4.44Å; L195-V210 HydrophobicContact CD1-CG1 3.78Å; L195-V210 HydrophobicContact CD1-CG2 4.32Å; L195-D214 HydrophobicContact CD1-CB 3.97Å; L195-D214 HydrophobicContact CD2-CB 4.38Å; L195-L218 HydrophobicContact CD1-CD1 3.95Å; L195-L218 HydrophobicContact CD1-CD2 4.44Å; L195-L218 HydrophobicContact CD1-CG 4.38Å
196I94.7Very high93.9Very high55 Ų5570.3 Ų70.328%0.28236%0.361SS..Hα-helixtrans-67.1-48175.4-62.7169.8000110.1F189 V192 P193 S198 R199 V201 V203F189-I196 HydrophobicContact CB-CD1 3.79Å; F189-I196 HydrophobicContact CD2-CD1 4.3Å; F189-I196 VanDerWaalsContact O-CD1 3.27Å; F189-I196 WeakPolarHBondContact O-CD1 3.48Å; V192-I196 HydrophobicContact CG2-CD1 4.26Å; V192-I196 HydrophobicContact CG2-CG1 4.38Å; V192-I196 WeakPolarHBondContact O-CG1 3.4Å; V192-I196 PolarHBondContact O-N 3.35Å; P193-I196 PolarHBondContact O-N 3.24Å; I196-S198 PolarHBondContact O-N 2.91Å; I196-R199 PolarHBondContact O-N 3.35Å; I196-V201 HydrophobicContact CG1-CG2 3.81Å; I196-V203 HydrophobicContact CD1-CG2 4.15Å; I196-V203 HydrophobicContact CG1-CG2 3.91Å
197R94Very high94Very high193 Ų19372.5 Ų72.573%0.72837%0.368SS*.Hα-helixtrans-55.5-39.3177.9-177.5-17967.2-147.6-12.8111.8P193 D194 R199P193-R197 WeakPolarHBondContact O-CB 3.39Å; P193-R197 PolarHBondContact O-N 3.47Å; D194-R197 IonicContact OD1-CZ 3.33Å; D194-R197 IonicContact OD1-NH1 3.49Å; D194-R197 PolarHBondContact OD1-NH1 2.8Å; D194-R197 IonicContact OD1-NH2 2.74Å; D194-R197 PolarHBondContact OD1-NH2 3.3Å; R197-R199 VanDerWaalsContact C-N 3.32Å
198S92.3Very high94.1Very high58 Ų5872.5 Ų72.541%0.40637%0.368SS..THydrogen-bonded Turntrans-86.73.3179.553.80000114.2D194 L195 I196 R200D194-S198 PolarHBondContact O-N 2.79Å; D194-S198 VanDerWaalsContact O-N 3.15Å; D194-S198 PolarHBondContact O-OG 3.13Å; L195-S198 PolarHBondContact O-N 2.98Å; L195-S198 PolarHBondContact O-OG 3.43Å; I196-S198 PolarHBondContact O-N 2.91Å; S198-R200 PolarHBondContact O-N 3.07Å; S198-R200 VanDerWaalsContact OG-CD 3.31Å; S198-R200 WeakPolarHBondContact OG-CD 3.44Å; S198-R200 WeakPolarHBondContact OG-CG 3.5Å
199R92.5Very high94.1Very high199 Ų19969 Ų6975%0.75135%0.352SS*.THydrogen-bonded Turntrans53.135.6-176.4-62.6-175.8172.1139.2-2.7113.5A173 L195 I196 R197 V201A173-R199 VanDerWaalsContact CB-O 3.22Å; A173-R199 WeakPolarHBondContact CB-O 3.16Å; A173-R199 PolarHBondContact N-O 3.09Å; L195-R199 PolarHBondContact O-N 3.43Å; L195-R199 VanDerWaalsContact O-N 3.16Å; I196-R199 PolarHBondContact O-N 3.35Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R199-V201 VanDerWaalsContact C-N 3.35Å
200R92.6Very high94.1Very high80 Ų8064.6 Ų64.630%0.30233%0.333SS..  trans-90.4-1.4179.9-68.9-175.570.2-150.1-0.4113.3T172 T174 L195 S198 D214T172-R200 WeakPolarHBondContact CG2-O 3.39Å; T174-R200 WeakPolarHBondContact OG1-CB 3.42Å; T174-R200 PolarHBondContact OG1-NE 3.1Å; T174-R200 PolarHBondContact OG1-O 3.44Å; L195-R200 HydrophobicContact CB-CB 4.49Å; L195-R200 HydrophobicContact CD2-CB 4.31Å; L195-R200 PolarHBondContact O-N 2.82Å; S198-R200 PolarHBondContact O-N 3.07Å; S198-R200 VanDerWaalsContact OG-CD 3.31Å; S198-R200 WeakPolarHBondContact OG-CD 3.44Å; S198-R200 WeakPolarHBondContact OG-CG 3.5Å; R200-D214 IonicContact CZ-OD1 3.86Å; R200-D214 IonicContact CZ-OD2 2.92Å; R200-D214 IonicContact NE-OD2 3.6Å; R200-D214 IonicContact NH1-OD1 3.7Å; R200-D214 PolarHBondContact NH1-OD1 2.69Å; R200-D214 IonicContact NH1-OD2 2.61Å; R200-D214 IonicContact NH2-OD1 2.62Å; R200-D214 PolarHBondContact NH2-OD1 3.02Å; R200-D214 IonicContact NH2-OD2 3.01Å; R200-D214 PolarHBondContact NH2-OD2 3.23Å
201V94.8Very high94.1Very high8 Ų861.2 Ų61.25%0.04831%0.311CS..SBendtrans-143.8139.9-178-65.90000110.5G171 L195 I196 R199 V203 A208 F209 V210G171-V201 CarbonylContact O-C 3.5Å; G171-V201 VanDerWaalsContact O-C 3.27Å; L195-V201 HydrophobicContact CB-CB 4.46Å; L195-V201 HydrophobicContact CB-CG1 3.81Å; L195-V201 HydrophobicContact CB-CG2 3.79Å; L195-V201 HydrophobicContact CD1-CG1 3.87Å; L195-V201 HydrophobicContact CG-CG1 4.44Å; I196-V201 HydrophobicContact CG1-CG2 3.81Å; R199-V201 VanDerWaalsContact C-N 3.35Å; V201-V203 HydrophobicContact CG2-CG2 4.47Å; V201-A208 HydrophobicContact CB-CB 4.48Å; V201-A208 HydrophobicContact CG2-CB 4.08Å; V201-F209 WeakPolarHBondContact CB-O 3.23Å; V201-V210 HydrophobicContact CG1-CB 4.36Å; V201-V210 HydrophobicContact CG1-CG1 4.44Å; V201-V210 HydrophobicContact CG1-CG2 4.15Å
202F95Very high94Very high30 Ų3057.9 Ų57.913%0.13230%0.296CS..EExtended strand (participates in β ladder)trans-76.1142.6168172.9-121000110.3L164 Y167 L168 Q204 A208 F209L164-F202 HydrophobicContact CD1-CE1 4.47Å; Y167-F202 HydrophobicContact CD1-CE2 4.43Å; Y167-F202 HydrophobicContact CD1-CZ 4.42Å; Y167-F202 HydrophobicContact CG-CE2 4.34Å; Y167-F202 HydrophobicContact CG-CZ 4.02Å; L168-F202 HydrophobicContact CD2-CB 4.1Å; L168-F202 HydrophobicContact CD2-CD1 3.93Å; L168-F202 HydrophobicContact CD2-CG 4.44Å; F202-Q204 HydrophobicContact CE1-CB 3.8Å; F202-Q204 VanDerWaalsContact CE1-OE1 3.28Å; F202-Q204 HydrophobicContact CZ-CB 3.75Å; F202-Q204 HydrophobicContact CZ-CG 4.31Å; F202-A208 CarbonylContact O-C 3.53Å; F202-A208 WeakPolarHBondContact O-CA 3.42Å; F202-F209 HydrophobicContact CB-CD2 4.44Å; F202-F209 AromaticContact CD1-CD2 3.35Å; F202-F209 HydrophobicContact CD1-CD2 3.35Å; F202-F209 AromaticContact CD1-CE2 3.67Å; F202-F209 HydrophobicContact CD1-CE2 3.67Å; F202-F209 HydrophobicContact CD1-CG 4.39Å; F202-F209 AromaticContact CE1-CD2 3.9Å; F202-F209 HydrophobicContact CE1-CD2 3.9Å; F202-F209 AromaticContact CE1-CE2 3.69Å; F202-F209 HydrophobicContact CE1-CE2 3.69Å; F202-F209 HydrophobicContact CG-CD2 4.22Å; F202-F209 WeakPolarHBondContact O-CD2 3.41Å; F202-F209 PolarHBondContact O-N 3.14Å
203V95.7Very high93.8Very high61 Ų6160.5 Ų60.537%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-125.6128.3-179.6-177.20000110.1F189 I196 V201 Y207 A208F189-V203 HydrophobicContact CB-CG1 4.33Å; I196-V203 HydrophobicContact CD1-CG2 4.15Å; I196-V203 HydrophobicContact CG1-CG2 3.91Å; V201-V203 HydrophobicContact CG2-CG2 4.47Å; V203-Y207 CarbonylContact C-O 3.5Å; V203-Y207 VanDerWaalsContact CA-O 3.24Å; V203-Y207 WeakPolarHBondContact CA-O 3.47Å; V203-Y207 WeakPolarHBondContact CG1-O 3.48Å; V203-A208 HydrophobicContact CG2-CB 4.09Å
204Q95Very high93.7Very high91 Ų9157.1 Ų57.143%0.42529%0.291SS..EExtended strand (participates in β ladder)trans-144.8134175.6-168.4178.5-26.100110.9F202 G206 Y207 F209F202-Q204 HydrophobicContact CE1-CB 3.8Å; F202-Q204 VanDerWaalsContact CE1-OE1 3.28Å; F202-Q204 HydrophobicContact CZ-CB 3.75Å; F202-Q204 HydrophobicContact CZ-CG 4.31Å; Q204-G206 VanDerWaalsContact C-N 3.29Å; Q204-G206 PolarHBondContact O-N 3.34Å; Q204-Y207 PolarHBondContact N-O 3.38Å; Q204-Y207 PolarHBondContact O-N 2.91Å; Q204-F209 HydrophobicContact CB-CE2 3.77Å; Q204-F209 HydrophobicContact CB-CZ 4.44Å
205G94.6Very high93.6Very high72 Ų7252.7 Ų52.774%0.74227%0.267SS*.THydrogen-bonded Turntrans58.534.8172.200000114.7Y207G205-Y207 VanDerWaalsContact C-N 3.32Å; G205-Y207 WeakPolarHBondContact O-CD2 3.3Å
206G95.5Very high93.5Very high30 Ų3052.2 Ų52.231%0.30927%0.265SS..THydrogen-bonded Turntrans81.35.3-177.600000114.8H188 F189 Q204H188-G206 PolarHBondContact CD2-O 3.14Å; H188-G206 VanDerWaalsContact CD2-O 3.26Å; F189-G206 VanDerWaalsContact CD1-O 3.29Å; F189-G206 WeakPolarHBondContact CD1-O 3.49Å; F189-G206 PolarHBondContact N-O 3.12Å; F189-G206 VanDerWaalsContact N-O 3.17Å; Q204-G206 VanDerWaalsContact C-N 3.29Å; Q204-G206 PolarHBondContact O-N 3.34Å
207Y96.2Very high93.4Very high100 Ų10052 Ų5239%0.39227%0.268SS..EExtended strand (participates in β ladder)trans-118.8140.7176.3-65.1-86.6000111.2K186 V187 V203 Q204 G205K186-Y207 HydrophobicContact CD-CD1 4.27Å; K186-Y207 HydrophobicContact CD-CG 4.19Å; K186-Y207 VanDerWaalsContact CE-CD2 3.47Å; K186-Y207 HydrophobicContact CG-CD1 3.73Å; K186-Y207 HydrophobicContact CG-CG 3.83Å; V187-Y207 CarbonylContact O-C 3.27Å; V187-Y207 WeakPolarHBondContact O-CA 3.46Å; V203-Y207 CarbonylContact C-O 3.5Å; V203-Y207 VanDerWaalsContact CA-O 3.24Å; V203-Y207 WeakPolarHBondContact CA-O 3.47Å; V203-Y207 WeakPolarHBondContact CG1-O 3.48Å; Q204-Y207 PolarHBondContact N-O 3.38Å; Q204-Y207 PolarHBondContact O-N 2.91Å; G205-Y207 VanDerWaalsContact C-N 3.32Å; G205-Y207 WeakPolarHBondContact O-CD2 3.3Å
208A95.8Very high93.3Very high0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-96.8139.9167.900000109.7V187 V192 V201 F202 V203V187-A208 PolarHBondContact N-O 3.14Å; V187-A208 PolarHBondContact O-N 3.29Å; V192-A208 HydrophobicContact CG2-CB 3.44Å; V192-A208 VanDerWaalsContact CG2-CB 3.44Å; V201-A208 HydrophobicContact CB-CB 4.48Å; V201-A208 HydrophobicContact CG2-CB 4.08Å; F202-A208 CarbonylContact O-C 3.53Å; F202-A208 WeakPolarHBondContact O-CA 3.42Å; V203-A208 HydrophobicContact CG2-CB 4.09Å
209F95.4Very high93.4Very high4 Ų441.7 Ų41.72%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-103.1104.2176.8-57.8-77.9000109.1M156 L164 L168 F184 Y185 K186 V201 F202 Q204M156-F209 HydrophobicContact CE-CB 3.91Å; M156-F209 HydrophobicContact CE-CD1 2.98Å; M156-F209 HydrophobicContact CE-CE1 3.45Å; M156-F209 VanDerWaalsContact CE-CE1 3.45Å; M156-F209 HydrophobicContact CE-CG 3.58Å; M156-F209 HydrophobicContact CE-CZ 4.39Å; L164-F209 HydrophobicContact CD1-CE1 4.32Å; L164-F209 HydrophobicContact CD1-CE2 4.08Å; L164-F209 HydrophobicContact CD1-CZ 3.72Å; L168-F209 HydrophobicContact CD2-CB 3.78Å; L168-F209 HydrophobicContact CD2-CD2 4.46Å; L168-F209 HydrophobicContact CD2-CG 4.24Å; F184-F209 HydrophobicContact CD1-CB 4.31Å; Y185-F209 CarbonylContact O-C 3.37Å; Y185-F209 WeakPolarHBondContact O-CA 3.39Å; K186-F209 HydrophobicContact CB-CD1 4.24Å; K186-F209 HydrophobicContact CB-CE1 4.3Å; K186-F209 HydrophobicContact CD-CE1 4.21Å; K186-F209 HydrophobicContact CG-CD1 4.36Å; K186-F209 HydrophobicContact CG-CE1 4.07Å; V201-F209 WeakPolarHBondContact CB-O 3.23Å; F202-F209 HydrophobicContact CB-CD2 4.44Å; F202-F209 AromaticContact CD1-CD2 3.35Å; F202-F209 HydrophobicContact CD1-CD2 3.35Å; F202-F209 AromaticContact CD1-CE2 3.67Å; F202-F209 HydrophobicContact CD1-CE2 3.67Å; F202-F209 HydrophobicContact CD1-CG 4.39Å; F202-F209 AromaticContact CE1-CD2 3.9Å; F202-F209 HydrophobicContact CE1-CD2 3.9Å; F202-F209 AromaticContact CE1-CE2 3.69Å; F202-F209 HydrophobicContact CE1-CE2 3.69Å; F202-F209 HydrophobicContact CG-CD2 4.22Å; F202-F209 WeakPolarHBondContact O-CD2 3.41Å; F202-F209 PolarHBondContact O-N 3.14Å; Q204-F209 HydrophobicContact CB-CE2 3.77Å; Q204-F209 HydrophobicContact CB-CZ 4.44Å
210V94.5Very high93.5Very high0 Ų032.5 Ų32.50%019%0.189CC..EExtended strand (participates in β ladder)trans-95.4123.1-170.6-173.30000109.3F184 Y185 V187 V192 L195 V201 D214 L218F184-V210 WeakPolarHBondContact CA-O 3.2Å; Y185-V210 PolarHBondContact N-O 2.8Å; Y185-V210 PolarHBondContact O-N 2.81Å; V187-V210 HydrophobicContact CB-CG2 4Å; V187-V210 HydrophobicContact CG2-CB 4.36Å; V187-V210 HydrophobicContact CG2-CG2 3.7Å; V192-V210 HydrophobicContact CG1-CG2 4.18Å; V192-V210 HydrophobicContact CG2-CG2 4.48Å; L195-V210 HydrophobicContact CD1-CG1 3.78Å; L195-V210 HydrophobicContact CD1-CG2 4.32Å; V201-V210 HydrophobicContact CG1-CB 4.36Å; V201-V210 HydrophobicContact CG1-CG1 4.44Å; V201-V210 HydrophobicContact CG1-CG2 4.15Å; V210-D214 HydrophobicContact CG1-CB 3.59Å; V210-L218 HydrophobicContact CG1-CD1 4.01Å; V210-L218 HydrophobicContact CG2-CD1 4.48Å
211P93.4Very high93.6Very high0 Ų031.3 Ų31.30%019%0.193CC..EExtended strand (participates in β ladder)trans-67.9149.3173.129.9-34.2000110T172 I177 T182 F184 D214 L215T172-P211 HydrophobicContact CG2-CG 4.19Å; I177-P211 HydrophobicContact CD1-CB 4.14Å; I177-P211 HydrophobicContact CG1-CB 4.38Å; I177-P211 HydrophobicContact CG2-CB 4.39Å; T182-P211 HydrophobicContact CG2-CB 4.23Å; F184-P211 HydrophobicContact CD1-CB 4.36Å; F184-P211 HydrophobicContact CE1-CB 3.94Å; F184-P211 HydrophobicContact CZ-CB 4.32Å; P211-D214 HydrophobicContact CG-CB 4.21Å; P211-D214 WeakPolarHBondContact CG-OD2 3.22Å; P211-D214 WeakPolarHBondContact O-CB 3.18Å; P211-D214 PolarHBondContact O-N 3.47Å; P211-L215 PolarHBondContact O-N 3.38Å; P211-L215 VanDerWaalsContact O-N 3.15Å
212E88.6Confident93.6Very high47 Ų4733.1 Ų33.122%0.2221%0.205CC..Hα-helixtrans-47.4-47.1-175.4168.3-164.5141.200115.9R132 T182 A183 Y185 D214 L215 V216R132-E212 VanDerWaalsContact CZ-CD 3.43Å; R132-E212 IonicContact CZ-OE1 2.73Å; R132-E212 IonicContact CZ-OE2 3.67Å; R132-E212 VanDerWaalsContact NH1-CG 3.27Å; R132-E212 IonicContact NH1-OE1 2.81Å; R132-E212 PolarHBondContact NH1-OE1 3.01Å; R132-E212 IonicContact NH1-OE2 3.9Å; R132-E212 PolarHBondContact NH1-OE2 3.48Å; R132-E212 IonicContact NH2-OE1 3.54Å; R132-E212 PolarHBondContact NH2-OE1 3.32Å; T182-E212 HydrophobicContact CG2-CB 4.18Å; A183-E212 HydrophobicContact CB-CB 4.38Å; A183-E212 WeakPolarHBondContact O-CB 3.27Å; A183-E212 PolarHBondContact O-N 3.37Å; Y185-E212 HydrophobicContact CE2-CB 4.37Å; E212-D214 PolarHBondContact O-N 3.38Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 3.02Å; E212-V216 PolarHBondContact O-N 2.94Å; E212-V216 VanDerWaalsContact O-N 3.14Å
213P88.6Confident93.7Very high58 Ų5831.8 Ų31.838%0.37720%0.199SC..Hα-helixtrans-60-30.6-179.9-27.237.9000113.5I177 S217I177-P213 HydrophobicContact CD1-CG 3.76Å; P213-S217 PolarHBondContact O-N 3.25Å; P213-S217 PolarHBondContact O-OG 3.21Å
214D91.5Very high93.8Very high6 Ų633 Ų333%0.03220%0.197CC..Hα-helixtrans-77.4-35.2175.8-76.1-46.1000112.1T174 L195 R200 V210 P211 E212 V216 S217 L218T174-D214 PolarHBondContact OG1-OD2 2.83Å; L195-D214 HydrophobicContact CD1-CB 3.97Å; L195-D214 HydrophobicContact CD2-CB 4.38Å; R200-D214 IonicContact CZ-OD1 3.86Å; R200-D214 IonicContact CZ-OD2 2.92Å; R200-D214 IonicContact NE-OD2 3.6Å; R200-D214 IonicContact NH1-OD1 3.7Å; R200-D214 PolarHBondContact NH1-OD1 2.69Å; R200-D214 IonicContact NH1-OD2 2.61Å; R200-D214 IonicContact NH2-OD1 2.62Å; R200-D214 PolarHBondContact NH2-OD1 3.02Å; R200-D214 IonicContact NH2-OD2 3.01Å; R200-D214 PolarHBondContact NH2-OD2 3.23Å; V210-D214 HydrophobicContact CG1-CB 3.59Å; P211-D214 HydrophobicContact CG-CB 4.21Å; P211-D214 WeakPolarHBondContact CG-OD2 3.22Å; P211-D214 WeakPolarHBondContact O-CB 3.18Å; P211-D214 PolarHBondContact O-N 3.47Å; E212-D214 PolarHBondContact O-N 3.38Å; D214-V216 VanDerWaalsContact C-N 3.35Å; D214-V216 PolarHBondContact O-N 3.46Å; D214-S217 WeakPolarHBondContact O-CB 3.1Å; D214-S217 PolarHBondContact O-N 3.03Å; D214-S217 VanDerWaalsContact O-N 3.14Å; D214-L218 WeakPolarHBondContact O-CG 3.34Å; D214-L218 PolarHBondContact O-N 3.16Å
215L90.7Very high93.9Very high1 Ų132.9 Ų32.91%0.00520%0.203CC..Hα-helixtrans-56.3-49.8172-175.881.2000111.2F153 Y185 P211 E212 S217 L218 V219F153-L215 HydrophobicContact CB-CD1 3.94Å; F153-L215 HydrophobicContact CD2-CD1 3.36Å; F153-L215 HydrophobicContact CD2-CG 4.46Å; F153-L215 HydrophobicContact CE2-CD1 3.99Å; F153-L215 HydrophobicContact CG-CD1 3.78Å; Y185-L215 HydrophobicContact CD1-CD1 4.28Å; Y185-L215 HydrophobicContact CD1-CD2 3.74Å; Y185-L215 HydrophobicContact CD2-CB 4.18Å; Y185-L215 HydrophobicContact CD2-CD1 4.39Å; Y185-L215 HydrophobicContact CD2-CD2 3.62Å; Y185-L215 HydrophobicContact CD2-CG 4.27Å; Y185-L215 HydrophobicContact CE1-CD2 3.61Å; Y185-L215 HydrophobicContact CE2-CD2 3.49Å; Y185-L215 VanDerWaalsContact CE2-CD2 3.49Å; Y185-L215 HydrophobicContact CG-CD1 3.98Å; Y185-L215 HydrophobicContact CG-CD2 3.73Å; Y185-L215 HydrophobicContact CG-CG 4.31Å; Y185-L215 VanDerWaalsContact CZ-CD2 3.46Å; P211-L215 PolarHBondContact O-N 3.38Å; P211-L215 VanDerWaalsContact O-N 3.15Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 3.02Å; L215-S217 PolarHBondContact O-N 3.02Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 3.31Å; L215-L218 VanDerWaalsContact O-N 3.13Å; L215-V219 HydrophobicContact CG-CG2 4.37Å; L215-V219 WeakPolarHBondContact O-CG2 3.37Å; L215-V219 PolarHBondContact O-N 3.43Å
216V91.8Very high93.9Very high4 Ų430 Ų302%0.02417%0.171CC..Hα-helixtrans-56.1-43178.5177.30000109.9R125 F128 L129 E212 D214 V219 V220R125-V216 HydrophobicContact CG-CG1 4.35Å; F128-V216 HydrophobicContact CD1-CG1 4.41Å; F128-V216 HydrophobicContact CD1-CG2 4.29Å; F128-V216 HydrophobicContact CE1-CG2 3.98Å; L129-V216 HydrophobicContact CD2-CG1 4.04Å; L129-V216 HydrophobicContact CD2-CG2 3.78Å; L129-V216 HydrophobicContact CG-CG1 4.35Å; E212-V216 PolarHBondContact O-N 2.94Å; E212-V216 VanDerWaalsContact O-N 3.14Å; D214-V216 VanDerWaalsContact C-N 3.35Å; D214-V216 PolarHBondContact O-N 3.46Å; V216-V219 PolarHBondContact O-N 3.07Å; V216-V220 HydrophobicContact CG1-CG2 4.23Å; V216-V220 VanDerWaalsContact O-CB 3.27Å; V216-V220 WeakPolarHBondContact O-CB 3.42Å; V216-V220 WeakPolarHBondContact O-CG2 3.48Å; V216-V220 PolarHBondContact O-N 3Å
217S92.3Very high94Very high50 Ų5028.7 Ų28.735%0.3516%0.157SC..Hα-helixtrans-65.4-38.7179.9-58.40000112.7P213 D214 L215 S221P213-S217 PolarHBondContact O-N 3.25Å; P213-S217 PolarHBondContact O-OG 3.21Å; D214-S217 WeakPolarHBondContact O-CB 3.1Å; D214-S217 PolarHBondContact O-N 3.03Å; D214-S217 VanDerWaalsContact O-N 3.14Å; L215-S217 PolarHBondContact O-N 3.02Å; S217-S221 WeakPolarHBondContact O-CB 3.2Å; S217-S221 PolarHBondContact O-N 3.3Å
218L92.7Very high94Very high34 Ų3426.3 Ų26.318%0.17816%0.155CC..Hα-helixtrans-64.4-52174.8-69.1168.5000111.8V192 L195 V210 D214 L215 V220 S221 C222V192-L218 HydrophobicContact CG1-CD1 3.42Å; V192-L218 VanDerWaalsContact CG1-CD1 3.42Å; V192-L218 HydrophobicContact CG1-CD2 4.02Å; V192-L218 HydrophobicContact CG1-CG 4.37Å; L195-L218 HydrophobicContact CD1-CD1 3.95Å; L195-L218 HydrophobicContact CD1-CD2 4.44Å; L195-L218 HydrophobicContact CD1-CG 4.38Å; V210-L218 HydrophobicContact CG1-CD1 4.01Å; V210-L218 HydrophobicContact CG2-CD1 4.48Å; D214-L218 WeakPolarHBondContact O-CG 3.34Å; D214-L218 PolarHBondContact O-N 3.16Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 3.31Å; L215-L218 VanDerWaalsContact O-N 3.13Å; L218-V220 VanDerWaalsContact C-N 3.32Å; L218-V220 PolarHBondContact O-N 3.48Å; L218-S221 WeakPolarHBondContact O-CA 3.46Å; L218-S221 VanDerWaalsContact O-CB 3.32Å; L218-S221 WeakPolarHBondContact O-CB 3.5Å; L218-S221 PolarHBondContact O-N 3.5Å; L218-C222 PolarHBondContact O-N 3.29Å; L218-C222 PolarHBondContact O-SG 3.17Å; L218-C222 VanDerWaalsContact O-SG 3.33Å
219V94.1Very high94Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-61.1-43.2-178.2-179.90000110.9F18 F124 F128 F145 L146 L151 F153 L215 V216 S221 C222 F223F18-V219 HydrophobicContact CE1-CG1 4.26Å; F18-V219 HydrophobicContact CZ-CG1 4.3Å; F124-V219 HydrophobicContact CE1-CG1 3.97Å; F124-V219 HydrophobicContact CZ-CG1 3.98Å; F128-V219 HydrophobicContact CD2-CG1 4.21Å; F128-V219 HydrophobicContact CE2-CB 4.45Å; F128-V219 HydrophobicContact CE2-CG1 3.89Å; F128-V219 HydrophobicContact CE2-CG2 4.45Å; F128-V219 HydrophobicContact CZ-CG1 4.48Å; F128-V219 HydrophobicContact CZ-CG2 4.32Å; F145-V219 HydrophobicContact CE1-CG1 4.15Å; L146-V219 HydrophobicContact CD2-CG1 4.26Å; L146-V219 HydrophobicContact CD2-CG2 3.62Å; L151-V219 HydrophobicContact CD1-CG1 4.36Å; L151-V219 HydrophobicContact CD1-CG2 4.46Å; F153-V219 HydrophobicContact CD2-CG2 4.2Å; F153-V219 HydrophobicContact CE2-CG2 3.85Å; L215-V219 HydrophobicContact CG-CG2 4.37Å; L215-V219 WeakPolarHBondContact O-CG2 3.37Å; L215-V219 PolarHBondContact O-N 3.43Å; V216-V219 PolarHBondContact O-N 3.07Å; V219-S221 VanDerWaalsContact C-N 3.29Å; V219-S221 PolarHBondContact O-N 2.53Å; V219-C222 PolarHBondContact O-N 2.95Å; V219-F223 PolarHBondContact O-N 3.41Å
220V95Very high94Very high6 Ų635.7 Ų35.74%0.03619%0.193CC..Hα-helixtrans-63-36.4175.6171.10000111.3V121 F124 R125 V216 L218 F223 R224V121-V220 HydrophobicContact CG1-CG1 3.42Å; V121-V220 VanDerWaalsContact CG1-CG1 3.42Å; F124-V220 HydrophobicContact CD1-CG2 4.17Å; F124-V220 HydrophobicContact CE1-CG2 4.25Å; R125-V220 HydrophobicContact CB-CG2 3.85Å; R125-V220 HydrophobicContact CG-CG2 3.98Å; V216-V220 HydrophobicContact CG1-CG2 4.23Å; V216-V220 VanDerWaalsContact O-CB 3.27Å; V216-V220 WeakPolarHBondContact O-CB 3.42Å; V216-V220 WeakPolarHBondContact O-CG2 3.48Å; V216-V220 PolarHBondContact O-N 3Å; L218-V220 VanDerWaalsContact C-N 3.32Å; L218-V220 PolarHBondContact O-N 3.48Å; V220-F223 PolarHBondContact O-N 2.78Å; V220-R224 WeakPolarHBondContact O-CB 3.34Å; V220-R224 PolarHBondContact O-N 3.45Å
221S94.7Very high93.9Very high55 Ų5535.8 Ų35.839%0.38519%0.193SC..Hα-helixtrans-67.6-42.8175-168.40000112.4S217 L218 V219 F223 R224 T225S217-S221 WeakPolarHBondContact O-CB 3.2Å; S217-S221 PolarHBondContact O-N 3.3Å; L218-S221 WeakPolarHBondContact O-CA 3.46Å; L218-S221 VanDerWaalsContact O-CB 3.32Å; L218-S221 WeakPolarHBondContact O-CB 3.5Å; L218-S221 PolarHBondContact O-N 3.5Å; V219-S221 VanDerWaalsContact C-N 3.29Å; V219-S221 PolarHBondContact O-N 2.53Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 3.37Å; S221-R224 PolarHBondContact O-N 3.25Å; S221-T225 WeakPolarHBondContact O-CB 3.23Å; S221-T225 PolarHBondContact O-N 3.4Å; S221-T225 PolarHBondContact O-OG1 3.32Å
222C94.8Very high93.9Very high47 Ų4737.6 Ų37.632%0.31821%0.208SC..Hα-helixtrans-59.4-45.9173.6-650000111F18 L218 V219 T225 S226F18-C222 HydrophobicContact CE2-CB 4.11Å; F18-C222 HydrophobicContact CZ-CB 4Å; L218-C222 PolarHBondContact O-N 3.29Å; L218-C222 PolarHBondContact O-SG 3.17Å; L218-C222 VanDerWaalsContact O-SG 3.33Å; V219-C222 PolarHBondContact O-N 2.95Å; C222-T225 PolarHBondContact O-N 2.94Å; C222-S226 WeakPolarHBondContact O-CB 3.41Å; C222-S226 PolarHBondContact O-N 2.94Å
223F97.3Very high94Very high1 Ų141.1 Ų41.10%0.00422%0.224CC..Hα-helixtrans-59.9-49.7176.2179.7-105.4000112F18 Y19 E120 V121 F124 V219 V220 S221 T225 S226 L227F18-F223 HydrophobicContact CD1-CB 4.34Å; F18-F223 AromaticContact CD1-CD2 3.71Å; F18-F223 HydrophobicContact CD1-CD2 3.71Å; F18-F223 HydrophobicContact CD1-CG 4.5Å; F18-F223 HydrophobicContact CE1-CB 3.84Å; F18-F223 HydrophobicContact CE1-CD2 4.08Å; F18-F223 HydrophobicContact CE1-CG 4.43Å; F18-F223 HydrophobicContact CG-CD2 4.26Å; F18-F223 HydrophobicContact CZ-CB 4.16Å; Y19-F223 AromaticContact CD2-CE2 3.78Å; Y19-F223 HydrophobicContact CD2-CE2 3.78Å; Y19-F223 HydrophobicContact CD2-CZ 4.11Å; Y19-F223 AromaticContact CE2-CE2 3.94Å; Y19-F223 HydrophobicContact CE2-CE2 3.94Å; Y19-F223 AromaticContact CE2-CZ 3.98Å; Y19-F223 HydrophobicContact CE2-CZ 3.98Å; E120-F223 HydrophobicContact CG-CE1 4.18Å; E120-F223 HydrophobicContact CG-CZ 4.09Å; V121-F223 HydrophobicContact CB-CD1 4.42Å; V121-F223 HydrophobicContact CG2-CD1 3.86Å; V121-F223 HydrophobicContact CG2-CE1 4.08Å; F124-F223 HydrophobicContact CB-CD1 3.7Å; F124-F223 HydrophobicContact CB-CE1 3.56Å; F124-F223 HydrophobicContact CB-CG 4.33Å; F124-F223 HydrophobicContact CB-CZ 4.06Å; F124-F223 HydrophobicContact CD1-CB 3.93Å; F124-F223 AromaticContact CD1-CD1 3.84Å; F124-F223 HydrophobicContact CD1-CD1 3.84Å; F124-F223 HydrophobicContact CD1-CD2 4.5Å; F124-F223 AromaticContact CD1-CG 3.83Å; F124-F223 HydrophobicContact CD1-CG 3.83Å; F124-F223 HydrophobicContact CD2-CD1 4.38Å; F124-F223 HydrophobicContact CD2-CD2 4.06Å; F124-F223 HydrophobicContact CD2-CE1 4.48Å; F124-F223 HydrophobicContact CD2-CE2 4.15Å; F124-F223 HydrophobicContact CD2-CG 4.17Å; F124-F223 HydrophobicContact CD2-CZ 4.37Å; F124-F223 HydrophobicContact CE1-CB 3.94Å; F124-F223 HydrophobicContact CE1-CG 4.21Å; F124-F223 HydrophobicContact CE2-CD2 4.32Å; F124-F223 HydrophobicContact CG-CB 4.42Å; F124-F223 AromaticContact CG-CD1 3.7Å; F124-F223 HydrophobicContact CG-CD1 3.7Å; F124-F223 HydrophobicContact CG-CD2 4.18Å; F124-F223 AromaticContact CG-CE1 3.95Å; F124-F223 HydrophobicContact CG-CE1 3.95Å; F124-F223 HydrophobicContact CG-CE2 4.38Å; F124-F223 AromaticContact CG-CG 3.82Å; F124-F223 HydrophobicContact CG-CG 3.82Å; F124-F223 HydrophobicContact CG-CZ 4.28Å; F124-F223 HydrophobicContact CZ-CB 4.44Å; V219-F223 PolarHBondContact O-N 3.41Å; V220-F223 PolarHBondContact O-N 2.78Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 3.37Å; F223-T225 VanDerWaalsContact C-N 3.3Å; F223-T225 PolarHBondContact O-N 3.48Å; F223-S226 PolarHBondContact O-N 2.93Å; F223-L227 HydrophobicContact CE1-CD2 4.19Å; F223-L227 HydrophobicContact CZ-CD2 4.39Å; F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 2.73Å
224R97.5Very high94.1Very high88 Ų8840.2 Ų40.233%0.33222%0.216SC..Hα-helixtrans-55.1-45.5176.3178.4-179.7-72.4118.7-4.7111.9V117 V121 V220 S221 S228V117-R224 HydrophobicContact CG1-CG 3.87Å; V121-R224 HydrophobicContact CG1-CB 4.32Å; V121-R224 HydrophobicContact CG2-CB 3.67Å; V121-R224 HydrophobicContact CG2-CG 4.04Å; V220-R224 WeakPolarHBondContact O-CB 3.34Å; V220-R224 PolarHBondContact O-N 3.45Å; S221-R224 PolarHBondContact O-N 3.25Å; R224-S228 VanDerWaalsContact O-CB 3.3Å; R224-S228 WeakPolarHBondContact O-CB 3.24Å; R224-S228 PolarHBondContact O-N 3.42Å; R224-S228 PolarHBondContact O-OG 3.01Å
225T96.1Very high93.9Very high88 Ų8840.9 Ų40.954%0.5423%0.225SC..Hα-helixtrans-65.1-46.2-179.3-57.60000111.1S221 C222 F223 S228 R229S221-T225 WeakPolarHBondContact O-CB 3.23Å; S221-T225 PolarHBondContact O-N 3.4Å; S221-T225 PolarHBondContact O-OG1 3.32Å; C222-T225 PolarHBondContact O-N 2.94Å; F223-T225 VanDerWaalsContact C-N 3.3Å; F223-T225 PolarHBondContact O-N 3.48Å; T225-S228 PolarHBondContact O-N 3.46Å; T225-R229 WeakPolarHBondContact O-CB 3.46Å; T225-R229 PolarHBondContact O-N 2.97Å
226S96Very high93.7Very high10 Ų1047.6 Ų47.67%0.0726%0.26CS..Hα-helixtrans-59.4-49.6176.5-170.30000111.5C222 F223 S228 R229 N230C222-S226 WeakPolarHBondContact O-CB 3.41Å; C222-S226 PolarHBondContact O-N 2.94Å; F223-S226 PolarHBondContact O-N 2.93Å; S226-S228 PolarHBondContact O-N 3.42Å; S226-R229 WeakPolarHBondContact O-CB 3.29Å; S226-R229 PolarHBondContact O-N 2.85Å; S226-N230 PolarHBondContact O-N 2.62Å; S226-N230 PolarHBondContact O-OD1 3.17Å
227L97.2Very high93.3Very high4 Ų449.6 Ų49.62%0.02127%0.272CS..Hα-helixtrans-62.4-43.8179.6-17860.3000112.4Q103 F116 V117 E120 F223 R229 N230 L231Q103-L227 HydrophobicContact CG-CD1 4.14Å; F116-L227 HydrophobicContact CE1-CD1 4.06Å; F116-L227 HydrophobicContact CE1-CD2 4.49Å; V117-L227 HydrophobicContact CG2-CD2 4.19Å; V117-L227 HydrophobicContact CG2-CG 4.19Å; E120-L227 HydrophobicContact CB-CD2 3.75Å; E120-L227 HydrophobicContact CG-CD2 3.62Å; F223-L227 HydrophobicContact CE1-CD2 4.19Å; F223-L227 HydrophobicContact CZ-CD2 4.39Å; F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 2.73Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 3.27Å; L227-N230 PolarHBondContact O-N 2.78Å; L227-L231 HydrophobicContact CD1-CD1 4.4Å; L227-L231 HydrophobicContact CD1-CG 4.45Å; L227-L231 HydrophobicContact CG-CD1 4.2Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 2.75Å
228S96.6Very high92.7Very high49 Ų4949 Ų4934%0.34327%0.265SS..Hα-helixtrans-62.3-41.6178.4-580000111.4R224 T225 S226 A232R224-S228 VanDerWaalsContact O-CB 3.3Å; R224-S228 WeakPolarHBondContact O-CB 3.24Å; R224-S228 PolarHBondContact O-N 3.42Å; R224-S228 PolarHBondContact O-OG 3.01Å; T225-S228 PolarHBondContact O-N 3.46Å; S226-S228 PolarHBondContact O-N 3.42Å; S228-A232 WeakPolarHBondContact O-CB 3.33Å; S228-A232 PolarHBondContact O-N 3.35Å
229R95.5Very high91.5Very high165 Ų16551.9 Ų51.962%0.62329%0.287SS*.Hα-helixtrans-62.2-46.4174.8-179.9-17965.4-176.5-2.3111.5T225 S226 L227 L231 A232 H233T225-R229 WeakPolarHBondContact O-CB 3.46Å; T225-R229 PolarHBondContact O-N 2.97Å; S226-R229 WeakPolarHBondContact O-CB 3.29Å; S226-R229 PolarHBondContact O-N 2.85Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 3.27Å; R229-L231 PolarHBondContact O-N 3.45Å; R229-A232 PolarHBondContact O-N 2.9Å; R229-H233 WeakPolarHBondContact O-CB 3.35Å; R229-H233 PolarHBondContact O-N 3.42Å
230N94.5Very high90.3Very high37 Ų3756.4 Ų56.420%0.19832%0.318CS..Hα-helixtrans-61-45.5179.7-67.4-9.4000111.4S226 L227 A232 H233 L234S226-N230 PolarHBondContact O-N 2.62Å; S226-N230 PolarHBondContact O-OD1 3.17Å; L227-N230 PolarHBondContact O-N 2.78Å; N230-A232 PolarHBondContact O-N 2.88Å; N230-H233 PolarHBondContact O-N 3.45Å; N230-L234 WeakPolarHBondContact O-CB 3.28Å; N230-L234 VanDerWaalsContact O-CG 3.31Å; N230-L234 WeakPolarHBondContact O-CG 3.42Å; N230-L234 PolarHBondContact O-N 2.89Å
231L93.3Very high89.1Confident1 Ų164.9 Ų64.91%0.00535%0.349CS..Hα-helixtrans-64.5-38.6177-69.8167.8000113.1Q103 C107 R113 F116 V117 L227 R229 G235Q103-L231 HydrophobicContact CB-CD2 3.83Å; Q103-L231 HydrophobicContact CG-CD2 3.99Å; Q103-L231 WeakPolarHBondContact O-CD2 3.36Å; C107-L231 HydrophobicContact CB-CD2 4.07Å; C107-L231 WeakPolarHBondContact CB-O 3.19Å; R113-L231 HydrophobicContact CG-CB 4.13Å; R113-L231 HydrophobicContact CG-CD1 4.39Å; F116-L231 HydrophobicContact CD1-CD1 3.81Å; F116-L231 HydrophobicContact CD1-CD2 4.05Å; F116-L231 HydrophobicContact CD1-CG 4.49Å; F116-L231 HydrophobicContact CE1-CD1 4.39Å; F116-L231 HydrophobicContact CE1-CD2 4.21Å; V117-L231 HydrophobicContact CG2-CD1 3.38Å; L227-L231 HydrophobicContact CD1-CD1 4.4Å; L227-L231 HydrophobicContact CD1-CG 4.45Å; L227-L231 HydrophobicContact CG-CD1 4.2Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 2.75Å; R229-L231 PolarHBondContact O-N 3.45Å; L231-G235 PolarHBondContact O-N 3.4Å
232A92.3Very high87.6Confident38 Ų3864.3 Ų64.331%0.31434%0.344SS..Hα-helixtrans-65.2-44.617600000111.3S228 R229 N230 G235 L236S228-A232 WeakPolarHBondContact O-CB 3.33Å; S228-A232 PolarHBondContact O-N 3.35Å; R229-A232 PolarHBondContact O-N 2.9Å; N230-A232 PolarHBondContact O-N 2.88Å; A232-G235 PolarHBondContact O-N 3.2Å; A232-L236 WeakPolarHBondContact O-CG 3.46Å; A232-L236 PolarHBondContact O-N 2.99Å
233H91.8Very high85.9Confident121 Ų12166.6 Ų66.656%0.5636%0.356SS*.Hα-helixtrans-63.9-45.3176.6-176.470.6000112.2R229 N230 G235 L236 T237R229-H233 WeakPolarHBondContact O-CB 3.35Å; R229-H233 PolarHBondContact O-N 3.42Å; N230-H233 PolarHBondContact O-N 3.45Å; H233-G235 PolarHBondContact O-N 2.99Å; H233-L236 PolarHBondContact O-N 3.48Å; H233-T237 WeakPolarHBondContact O-CB 3.24Å; H233-T237 WeakPolarHBondContact O-CG2 3.22Å; H233-T237 PolarHBondContact O-N 2.73Å; H233-T237 PolarHBondContact O-OG1 3.1Å
234L89.9Confident84.2Confident39 Ų3972.2 Ų72.220%0.20439%0.394CS..Hα-helixtrans-60.9-43.9175.4-76173.3000111.8Q103 C107 N230 L236 T237 L238Q103-L234 HydrophobicContact CB-CD1 3.63Å; C107-L234 HydrophobicContact CB-CB 4.08Å; N230-L234 WeakPolarHBondContact O-CB 3.28Å; N230-L234 VanDerWaalsContact O-CG 3.31Å; N230-L234 WeakPolarHBondContact O-CG 3.42Å; N230-L234 PolarHBondContact O-N 2.89Å; L234-L236 VanDerWaalsContact C-N 3.28Å; L234-L236 PolarHBondContact O-N 2.92Å; L234-T237 WeakPolarHBondContact CA-OG1 3.07Å; L234-T237 PolarHBondContact O-N 2.92Å; L234-T237 PolarHBondContact O-OG1 3.41Å; L234-L238 HydrophobicContact CB-CD1 4.03Å; L234-L238 HydrophobicContact CD2-CD1 4.33Å; L234-L238 VanDerWaalsContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 WeakPolarHBondContact O-CD1 3.43Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.04Å
235G86.8Confident82.7Confident20 Ų2070.7 Ų70.721%0.20639%0.391CS..Hα-helixtrans-57.9-39.7177.700000113L231 A232 H233 C239L231-G235 PolarHBondContact O-N 3.4Å; A232-G235 PolarHBondContact O-N 3.2Å; H233-G235 PolarHBondContact O-N 2.99Å; G235-C239 PolarHBondContact O-SG 3.33Å
236L86.6Confident81.1Confident142 Ų14271.9 Ų71.974%0.74339%0.39SS*.Hα-helixtrans-74.4-39.3177.8-67.6173.2000113A232 H233 L234A232-L236 WeakPolarHBondContact O-CG 3.46Å; A232-L236 PolarHBondContact O-N 2.99Å; H233-L236 PolarHBondContact O-N 3.48Å; L234-L236 VanDerWaalsContact C-N 3.28Å; L234-L236 PolarHBondContact O-N 2.92Å
237T84.9Confident79.9Confident46 Ų4679 Ų7928%0.28243%0.428SS..Hα-helixtrans-83.8-29.6-173.1510000113.5H233 L234 S240H233-T237 WeakPolarHBondContact O-CB 3.24Å; H233-T237 WeakPolarHBondContact O-CG2 3.22Å; H233-T237 PolarHBondContact O-N 2.73Å; H233-T237 PolarHBondContact O-OG1 3.1Å; L234-T237 WeakPolarHBondContact CA-OG1 3.07Å; L234-T237 PolarHBondContact O-N 2.92Å; L234-T237 PolarHBondContact O-OG1 3.41Å; T237-S240 PolarHBondContact O-OG 3.01Å
238L78.7Confident78.9Confident39 Ų3985.9 Ų85.920%0.20445%0.453CS..Hα-helixtrans-71.8-33.8-177.7-75.7166.3000112.3V104 C107 L234 S240 R241 T242V104-L238 HydrophobicContact CB-CD1 4.42Å; V104-L238 HydrophobicContact CG1-CD1 3.8Å; V104-L238 HydrophobicContact CG1-CD2 4.36Å; C107-L238 WeakPolarHBondContact SG-CD1 3.4Å; L234-L238 HydrophobicContact CB-CD1 4.03Å; L234-L238 HydrophobicContact CD2-CD1 4.33Å; L234-L238 VanDerWaalsContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 WeakPolarHBondContact O-CD1 3.43Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.04Å; L238-S240 PolarHBondContact O-N 2.87Å; L238-R241 PolarHBondContact O-N 3.27Å; L238-T242 HydrophobicContact CB-CG2 4.43Å; L238-T242 VanDerWaalsContact O-CG2 3.25Å; L238-T242 WeakPolarHBondContact O-CG2 3.39Å; L238-T242 PolarHBondContact O-N 3.47Å; L238-T242 PolarHBondContact O-OG1 3.01Å
239C68.1Low77.8Confident94 Ų9484.7 Ų84.764%0.63544%0.444SS*.Hα-helixtrans-53.1-32-178.7-74.20000114.2G235 T242G235-C239 PolarHBondContact O-SG 3.33Å; C239-T242 PolarHBondContact O-OG1 3.43Å; C239-T242 VanDerWaalsContact O-OG1 3.09Å
240S69.3Low76.6Confident94 Ų9478.8 Ų78.866%0.65742%0.424SS*.Hα-helixtrans-85-22.8177.561.30000113.7T237 L238T237-S240 PolarHBondContact O-OG 3.01Å; L238-S240 PolarHBondContact O-N 2.87Å
241R69.7Low75.6Confident184 Ų18480 Ų8069%0.69443%0.434SS*.Hα-helixtrans-97.8-17.5-175.9-64.1-174.5179-168.80.3113.5L238 V243 C244L238-R241 PolarHBondContact O-N 3.27Å; R241-V243 PolarHBondContact O-N 3.02Å; R241-C244 PolarHBondContact O-N 2.81Å
242T62.2Low74.6Confident43 Ų4380.4 Ų80.426%0.26444%0.437SS..G310 helixtrans-59.7-30.6-179.140.10000113.3L238 C239 C244 E245 E246 L250L238-T242 HydrophobicContact CB-CG2 4.43Å; L238-T242 VanDerWaalsContact O-CG2 3.25Å; L238-T242 WeakPolarHBondContact O-CG2 3.39Å; L238-T242 PolarHBondContact O-N 3.47Å; L238-T242 PolarHBondContact O-OG1 3.01Å; C239-T242 PolarHBondContact O-OG1 3.43Å; C239-T242 VanDerWaalsContact O-OG1 3.09Å; T242-C244 PolarHBondContact O-N 3.4Å; T242-C244 VanDerWaalsContact O-N 3.11Å; T242-E245 PolarHBondContact O-N 3.13Å; T242-E246 PolarHBondContact O-N 2.83Å; T242-L250 HydrophobicContact CG2-CD1 4.08Å; T242-L250 HydrophobicContact CG2-CD2 3.66Å; T242-L250 HydrophobicContact CG2-CG 4.47Å; T242-L250 WeakPolarHBondContact O-CD1 3.19Å
243V59.9Low73.6Confident96 Ų9678.9 Ų78.958%0.58242%0.423SS*.G310 helixtrans-56.9-32.3-178.1-175.90000112.6R241 E246R241-V243 PolarHBondContact O-N 3.02Å; V243-E246 WeakPolarHBondContact O-CG 3.47Å
244C61.4Low72.5Confident118 Ų11876.2 Ų76.280%0.79742%0.418SS*.G310 helixtrans-81.5-15.7-179.9-620000114.2R241 T242R241-C244 PolarHBondContact O-N 2.81Å; T242-C244 PolarHBondContact O-N 3.4Å; T242-C244 VanDerWaalsContact O-N 3.11Å
245E66.7Low71.6Confident57 Ų5776.2 Ų76.227%0.26642%0.421SS..G310 helixtrans-110.812-172.4-71.1-67.1158.400113.2T242 N247 R248 V249 L250T242-E245 PolarHBondContact O-N 3.13Å; E245-N247 PolarHBondContact O-N 3.31Å; E245-N247 VanDerWaalsContact O-N 3.12Å; E245-R248 VanDerWaalsContact CD-NH2 3.3Å; E245-R248 PolarHBondContact O-N 2.84Å; E245-R248 VanDerWaalsContact O-N 3.16Å; E245-R248 IonicContact OE1-CZ 2.63Å; E245-R248 IonicContact OE1-NE 3.14Å; E245-R248 IonicContact OE1-NH2 3.09Å; E245-R248 PolarHBondContact OE1-NH2 2.95Å; E245-R248 IonicContact OE2-CZ 2.93Å; E245-R248 IonicContact OE2-NE 3.41Å; E245-R248 PolarHBondContact OE2-NE 3.26Å; E245-R248 IonicContact OE2-NH2 3.88Å; E245-R248 PolarHBondContact OE2-NH2 3.4Å; E245-R248 VanDerWaalsContact OE2-NH2 3.13Å; E245-V249 PolarHBondContact O-N 2.92Å; E245-V249 WeakPolarHBondContact OE2-CG2 3.11Å; E245-L250 HydrophobicContact CB-CD1 4.46Å; E245-L250 HydrophobicContact CB-CG 4.11Å; E245-L250 WeakPolarHBondContact O-CB 3.21Å; E245-L250 WeakPolarHBondContact O-CG 3.49Å; E245-L250 PolarHBondContact O-N 3.5Å; E245-L250 VanDerWaalsContact O-N 3.14Å
246E62.3Low71Confident113 Ų11375.4 Ų75.453%0.52841%0.412SS..THydrogen-bonded Turntrans-54.2-32.1-177.5-71.7-175.9177.600113.4T242 V243 L250 P251T242-E246 PolarHBondContact O-N 2.83Å; V243-E246 WeakPolarHBondContact O-CG 3.47Å; E246-L250 HydrophobicContact CG-CD1 4.04Å; E246-P251 VanDerWaalsContact O-CD 3.24Å; E246-P251 WeakPolarHBondContact O-CD 3.48Å; E246-P251 VanDerWaalsContact O-CG 3.23Å; E246-P251 WeakPolarHBondContact O-CG 3.24Å
247N70Confident70.1Confident160 Ų16069.8 Ų69.886%0.85639%0.385SS*.THydrogen-bonded Turntrans-103.22.2-175.5-63.4-50.7000114.5E245E245-N247 PolarHBondContact O-N 3.31Å; E245-N247 VanDerWaalsContact O-N 3.12Å
248R76.8Confident69.3Low147 Ų14772.8 Ų72.856%0.55540%0.399SS*.THydrogen-bonded Turntrans-129.1-78.2-174.4-170.8-179.169.1133.9-5.4113.1L29 E245L29-R248 HydrophobicContact CD2-CG 4.39Å; E245-R248 VanDerWaalsContact CD-NH2 3.3Å; E245-R248 PolarHBondContact O-N 2.84Å; E245-R248 VanDerWaalsContact O-N 3.16Å; E245-R248 IonicContact OE1-CZ 2.63Å; E245-R248 IonicContact OE1-NE 3.14Å; E245-R248 IonicContact OE1-NH2 3.09Å; E245-R248 PolarHBondContact OE1-NH2 2.95Å; E245-R248 IonicContact OE2-CZ 2.93Å; E245-R248 IonicContact OE2-NE 3.41Å; E245-R248 PolarHBondContact OE2-NE 3.26Å; E245-R248 IonicContact OE2-NH2 3.88Å; E245-R248 PolarHBondContact OE2-NH2 3.4Å; E245-R248 VanDerWaalsContact OE2-NH2 3.13Å
249V72.7Confident68.8Low25 Ų2573.6 Ų73.615%0.15240%0.4CS..Hα-helixtrans-85.8-31.1-174.3-176.70000111.5E245 L252 L253E245-V249 PolarHBondContact O-N 2.92Å; E245-V249 WeakPolarHBondContact OE2-CG2 3.11Å; V249-L252 WeakPolarHBondContact O-CB 3.31Å; V249-L252 PolarHBondContact O-N 2.97Å; V249-L253 HydrophobicContact CG1-CD1 3.63Å; V249-L253 HydrophobicContact CG1-CG 3.87Å; V249-L253 VanDerWaalsContact O-CG 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.28Å; V249-L253 PolarHBondContact O-N 3.5Å
250L71.5Confident68.6Low40 Ų4071.2 Ų71.221%0.20938%0.378CS..Hα-helixtrans-65.5-37.9-179.2-69.8-178.3000115.4T242 E245 E246 L252 L253 S254T242-L250 HydrophobicContact CG2-CD1 4.08Å; T242-L250 HydrophobicContact CG2-CD2 3.66Å; T242-L250 HydrophobicContact CG2-CG 4.47Å; T242-L250 WeakPolarHBondContact O-CD1 3.19Å; E245-L250 HydrophobicContact CB-CD1 4.46Å; E245-L250 HydrophobicContact CB-CG 4.11Å; E245-L250 WeakPolarHBondContact O-CB 3.21Å; E245-L250 WeakPolarHBondContact O-CG 3.49Å; E245-L250 PolarHBondContact O-N 3.5Å; E245-L250 VanDerWaalsContact O-N 3.14Å; E246-L250 HydrophobicContact CG-CD1 4.04Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 3.43Å; L250-L253 HydrophobicContact CD2-CD1 4.13Å; L250-L253 PolarHBondContact O-N 3.46Å; L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 2.95Å; L250-S254 PolarHBondContact O-OG 2.89Å
251P72.1Confident68.4Low62 Ų6267.8 Ų67.840%0.40335%0.352SS..Hα-helixtrans-59.7-42.7172.5-25.936.7000111.6E246 S254 S255E246-P251 VanDerWaalsContact O-CD 3.24Å; E246-P251 WeakPolarHBondContact O-CD 3.48Å; E246-P251 VanDerWaalsContact O-CG 3.23Å; E246-P251 WeakPolarHBondContact O-CG 3.24Å; P251-S254 WeakPolarHBondContact CA-OG 3.19Å; P251-S254 PolarHBondContact O-OG 3.17Å; P251-S255 WeakPolarHBondContact O-CB 3.37Å; P251-S255 PolarHBondContact O-N 2.84Å; P251-S255 VanDerWaalsContact O-N 3.16Å; P251-S255 PolarHBondContact O-OG 3.17Å
252L72.3Confident68.1Low11 Ų1160 Ų606%0.05833%0.329CS..Hα-helixtrans-59.2-56.2174.617461.8000110.5L29 E33 V249 L250 S254 S255 L256L29-L252 HydrophobicContact CD1-CD2 3.63Å; L29-L252 HydrophobicContact CG-CD2 4.44Å; E33-L252 HydrophobicContact CB-CD1 3.56Å; E33-L252 HydrophobicContact CB-CD2 4.05Å; E33-L252 HydrophobicContact CB-CG 4.47Å; E33-L252 VanDerWaalsContact CD-CD1 3.45Å; E33-L252 HydrophobicContact CG-CD1 3.44Å; E33-L252 VanDerWaalsContact CG-CD1 3.44Å; V249-L252 WeakPolarHBondContact O-CB 3.31Å; V249-L252 PolarHBondContact O-N 2.97Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 3.43Å; L252-S254 PolarHBondContact O-N 3.27Å; L252-S255 PolarHBondContact O-N 3.08Å; L252-S255 PolarHBondContact O-OG 2.94Å; L252-L256 HydrophobicContact CD1-CD1 4.3Å; L252-L256 HydrophobicContact CD1-CD2 4.41Å; L252-L256 HydrophobicContact CD1-CG 4.2Å; L252-L256 HydrophobicContact CG-CD1 4.15Å; L252-L256 HydrophobicContact CG-CG 4.48Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 2.81Å; L252-L256 VanDerWaalsContact O-N 3.07Å
253L72.4Confident68.5Low6 Ų662.2 Ų62.23%0.03134%0.337CS..Hα-helixtrans-60.2-44.8-178.3-65169.4000112.7I101 V104 A105 R108 V249 L250 S255 L256I101-L253 HydrophobicContact CD1-CD2 3.72Å; I101-L253 HydrophobicContact CG1-CD2 4.23Å; V104-L253 HydrophobicContact CB-CD1 4.42Å; V104-L253 HydrophobicContact CB-CD2 4.14Å; V104-L253 HydrophobicContact CG1-CD1 3.41Å; V104-L253 VanDerWaalsContact CG1-CD1 3.41Å; V104-L253 HydrophobicContact CG1-CD2 4Å; V104-L253 HydrophobicContact CG1-CG 4.36Å; A105-L253 HydrophobicContact CB-CD2 3.75Å; R108-L253 PolarHBondContact NH2-O 2.8Å; V249-L253 HydrophobicContact CG1-CD1 3.63Å; V249-L253 HydrophobicContact CG1-CG 3.87Å; V249-L253 VanDerWaalsContact O-CG 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.28Å; V249-L253 PolarHBondContact O-N 3.5Å; L250-L253 HydrophobicContact CD2-CD1 4.13Å; L250-L253 PolarHBondContact O-N 3.46Å; L253-S255 PolarHBondContact O-N 3.14Å; L253-L256 HydrophobicContact CD2-CD1 4.36Å; L253-L256 PolarHBondContact O-N 2.98Å
254S68.5Low69Low64 Ų6462.6 Ų62.645%0.44834%0.335SS..Hα-helixtrans-58.2-37.6178.965.40000112.6R108 L250 P251 L252R108-S254 VanDerWaalsContact NH1-CA 3.31Å; L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 2.95Å; L250-S254 PolarHBondContact O-OG 2.89Å; P251-S254 WeakPolarHBondContact CA-OG 3.19Å; P251-S254 PolarHBondContact O-OG 3.17Å; L252-S254 PolarHBondContact O-N 3.27Å
255S71.7Confident69.9Low40 Ų4057.8 Ų57.828%0.2830%0.301SS..Hα-helixtrans-74.5-37.6176.4770000113.1P251 L252 L253 S257 N258 R259P251-S255 WeakPolarHBondContact O-CB 3.37Å; P251-S255 PolarHBondContact O-N 2.84Å; P251-S255 VanDerWaalsContact O-N 3.16Å; P251-S255 PolarHBondContact O-OG 3.17Å; L252-S255 PolarHBondContact O-N 3.08Å; L252-S255 PolarHBondContact O-OG 2.94Å; L253-S255 PolarHBondContact O-N 3.14Å; S255-S257 PolarHBondContact O-N 3.11Å; S255-N258 CarbonylContact O-C 3.58Å; S255-N258 PolarHBondContact O-N 3.43Å; S255-R259 WeakPolarHBondContact O-CA 3.4Å; S255-R259 VanDerWaalsContact O-CB 3.24Å; S255-R259 WeakPolarHBondContact O-CB 3.49Å; S255-R259 PolarHBondContact O-N 2.74Å; S255-R259 PolarHBondContact OG-NH2 3.07Å
256L74.2Confident70Confident2 Ų257.4 Ų57.41%0.0130%0.304CS..Hα-helixtrans-57.1-43.9-168.7-79.6171.3000114.5A36 V37 I40 A105 L252 L253 N258 R259A36-L256 HydrophobicContact CB-CD1 3.67Å; A36-L256 HydrophobicContact CB-CD2 3.81Å; A36-L256 HydrophobicContact CB-CG 4.43Å; V37-L256 HydrophobicContact CG2-CD2 4.1Å; I40-L256 HydrophobicContact CD1-CB 4.16Å; I40-L256 HydrophobicContact CD1-CD2 3.99Å; A105-L256 HydrophobicContact CB-CB 4.45Å; A105-L256 HydrophobicContact CB-CD1 4.33Å; L252-L256 HydrophobicContact CD1-CD1 4.3Å; L252-L256 HydrophobicContact CD1-CD2 4.41Å; L252-L256 HydrophobicContact CD1-CG 4.2Å; L252-L256 HydrophobicContact CG-CD1 4.15Å; L252-L256 HydrophobicContact CG-CG 4.48Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 2.81Å; L252-L256 VanDerWaalsContact O-N 3.07Å; L253-L256 HydrophobicContact CD2-CD1 4.36Å; L253-L256 PolarHBondContact O-N 2.98Å; L256-N258 VanDerWaalsContact C-N 3.34Å; L256-N258 PolarHBondContact O-N 3.09Å; L256-R259 PolarHBondContact O-N 2.74Å
257S67.8Low70.3Confident25 Ų2559 Ų5918%0.17531%0.314CS..Hα-helixtrans-69.1-32.6-177.359.20000113.1R108 S255R108-S257 PolarHBondContact NH2-OG 2.92Å; S255-S257 PolarHBondContact O-N 3.11Å
258N67Low70.4Confident109 Ų10954.7 Ų54.758%0.58329%0.288SS*.THydrogen-bonded Turntrans-104.711179.9-66.3-32.3000112.1S255 L256 Y260 I373S255-N258 CarbonylContact O-C 3.58Å; S255-N258 PolarHBondContact O-N 3.43Å; L256-N258 VanDerWaalsContact C-N 3.34Å; L256-N258 PolarHBondContact O-N 3.09Å; N258-Y260 PolarHBondContact O-N 2.82Å; N258-I373 WeakPolarHBondContact O-CD1 2.8Å
259R68.5Low70.2Confident55 Ų5551.5 Ų51.521%0.20829%0.293CS..  trans-71.4128.9-174.6-162.3176.4-76.1-157.8-8.7109.4E33 S255 L256 L261E33-R259 IonicContact OE1-CZ 3.23Å; E33-R259 IonicContact OE1-NH1 3.52Å; E33-R259 PolarHBondContact OE1-NH1 2.95Å; E33-R259 IonicContact OE1-NH2 3.18Å; E33-R259 PolarHBondContact OE1-NH2 3.43Å; S255-R259 WeakPolarHBondContact O-CA 3.4Å; S255-R259 VanDerWaalsContact O-CB 3.24Å; S255-R259 WeakPolarHBondContact O-CB 3.49Å; S255-R259 PolarHBondContact O-N 2.74Å; S255-R259 PolarHBondContact OG-NH2 3.07Å; L256-R259 PolarHBondContact O-N 2.74Å; R259-L261 HydrophobicContact CB-CD2 4.17Å; R259-L261 HydrophobicContact CG-CD2 4.07Å; R259-L261 PolarHBondContact O-N 2.93Å
260Y63.6Low70.2Confident45 Ų4552.5 Ų52.518%0.17630%0.3CS..  trans-70.8116.2164.4173.3-107.5000108.4N258 G262 E263 H451 H452N258-Y260 PolarHBondContact O-N 2.82Å; Y260-G262 VanDerWaalsContact CE1-O 3.3Å; Y260-G262 WeakPolarHBondContact CE1-O 3.34Å; Y260-G262 VanDerWaalsContact CZ-C 3.41Å; Y260-G262 WeakPolarHBondContact OH-CA 3.42Å; Y260-E263 WeakPolarHBondContact CE1-O 3.27Å; Y260-E263 PolarHBondContact OH-N 3.22Å; Y260-E263 VanDerWaalsContact OH-N 3.15Å; Y260-E263 PolarHBondContact OH-O 3.49Å; Y260-H451 HydrophobicContact CD2-CB 4.02Å; Y260-H451 HydrophobicContact CE2-CB 3.67Å; Y260-H451 VanDerWaalsContact CE2-O 3.22Å; Y260-H451 WeakPolarHBondContact CE2-O 3.16Å; Y260-H452 HydrophobicContact CE2-CB 3.93Å; Y260-H452 AromaticContact CZ-CD2 3.72Å; Y260-H452 VanDerWaalsContact OH-CB 3.29Å; Y260-H452 WeakPolarHBondContact OH-CB 3.49Å; Y260-H452 PolarHBondContact OH-CD2 3.33Å
261L64.9Low70.2Confident21 Ų2154.8 Ų54.811%0.1132%0.316CS..  trans-99.73.5-179.5-60.3-177000113V37 I40 R41 K44 R259V37-L261 HydrophobicContact CG1-CD2 3.96Å; V37-L261 HydrophobicContact CG2-CD2 4.36Å; I40-L261 HydrophobicContact CB-CD1 3.93Å; I40-L261 HydrophobicContact CG2-CD1 3.48Å; I40-L261 VanDerWaalsContact CG2-CD1 3.48Å; R41-L261 HydrophobicContact CG-CD1 4.03Å; K44-L261 HydrophobicContact CD-CD1 4.29Å; R259-L261 HydrophobicContact CB-CD2 4.17Å; R259-L261 HydrophobicContact CG-CD2 4.07Å; R259-L261 PolarHBondContact O-N 2.93Å
262G63.6Low70.3Confident22 Ų2252.9 Ų52.923%0.22730%0.303CS..SBendtrans-81.8-174.5178.300000111.9Y260Y260-G262 VanDerWaalsContact CE1-O 3.3Å; Y260-G262 WeakPolarHBondContact CE1-O 3.34Å; Y260-G262 VanDerWaalsContact CZ-C 3.41Å; Y260-G262 WeakPolarHBondContact OH-CA 3.42Å
263E71.2Confident70.8Confident89 Ų8954.1 Ų54.142%0.41632%0.319SS..  trans-75.4149.4-176.5-59.6175.5146.200113.1Y260 Y265 K268Y260-E263 WeakPolarHBondContact CE1-O 3.27Å; Y260-E263 PolarHBondContact OH-N 3.22Å; Y260-E263 VanDerWaalsContact OH-N 3.15Å; Y260-E263 PolarHBondContact OH-O 3.49Å; E263-Y265 HydrophobicContact CB-CE2 4.28Å; E263-Y265 VanDerWaalsContact O-CD2 3.29Å; E263-Y265 WeakPolarHBondContact O-CD2 3.44Å; E263-Y265 PolarHBondContact O-N 3.06Å; E263-Y265 PolarHBondContact OE2-OH 3.11Å; E263-K268 IonicContact OE1-NZ 2.84Å; E263-K268 PolarHBondContact OE1-NZ 2.97Å; E263-K268 IonicContact OE2-NZ 3.99Å; E263-K268 PolarHBondContact OE2-NZ 3.34Å
264D70.4Confident71.5Confident104 Ų10461 Ų6156%0.55635%0.354SS*.  trans-8399.9175.5-73.2-31.3000111.6S266 I267 K268D264-S266 PolarHBondContact O-N 3.26Å; D264-I267 PolarHBondContact O-N 3.2Å; D264-K268 WeakPolarHBondContact O-CB 3.24Å; D264-K268 PolarHBondContact O-N 3.04Å
265Y79.5Confident72.6Confident17 Ų1758.1 Ų58.17%0.06733%0.334CS..THydrogen-bonded Turntrans-72.610.5176.1-71.8-83000114.6E263 K268 H452 N454 Q455 E458E263-Y265 HydrophobicContact CB-CE2 4.28Å; E263-Y265 VanDerWaalsContact O-CD2 3.29Å; E263-Y265 WeakPolarHBondContact O-CD2 3.44Å; E263-Y265 PolarHBondContact O-N 3.06Å; E263-Y265 PolarHBondContact OE2-OH 3.11Å; Y265-K268 HydrophobicContact CE1-CD 4.41Å; Y265-H452 HydrophobicContact CD2-CB 4.28Å; Y265-H452 AromaticContact CD2-CD2 3.68Å; Y265-H452 AromaticContact CD2-CE1 3.53Å; Y265-H452 AromaticContact CD2-CG 3.54Å; Y265-H452 AromaticContact CD2-ND1 3.41Å; Y265-H452 WeakPolarHBondContact CD2-ND1 3.31Å; Y265-H452 AromaticContact CD2-NE2 3.72Å; Y265-H452 HydrophobicContact CE2-CB 3.77Å; Y265-H452 AromaticContact CE2-CG 3.52Å; Y265-H452 AromaticContact CE2-ND1 3.52Å; Y265-H452 AromaticContact CG-CE1 3.97Å; Y265-N454 HydrophobicContact CD1-CB 3.58Å; Y265-N454 HydrophobicContact CD2-CB 4.22Å; Y265-N454 HydrophobicContact CE1-CB 3.46Å; Y265-N454 VanDerWaalsContact CE1-CB 3.46Å; Y265-N454 HydrophobicContact CE2-CB 4.11Å; Y265-N454 HydrophobicContact CG-CB 3.98Å; Y265-Q455 HydrophobicContact CE2-CB 4.29Å; Y265-Q455 WeakPolarHBondContact OH-CA 3.3Å; Y265-Q455 VanDerWaalsContact OH-CB 3.24Å; Y265-Q455 WeakPolarHBondContact OH-CB 3.42Å; Y265-Q455 PolarHBondContact OH-N 3.12Å; Y265-Q455 VanDerWaalsContact OH-N 3.09Å; Y265-E458 WeakPolarHBondContact CE1-OE1 3.44Å; Y265-E458 PolarHBondContact OH-OE2 2.87Å
266S69.8Low73.7Confident48 Ų4862.6 Ų62.634%0.33635%0.349SS..THydrogen-bonded Turntrans-88-38.317155.30000112.6D264 T368D264-S266 PolarHBondContact O-N 3.26Å; S266-T368 VanDerWaalsContact CB-CG2 3.49Å
267I68.2Low74.7Confident146 Ų14662.9 Ų62.975%0.74935%0.352SS*.THydrogen-bonded Turntrans-99.2-33.4-176.3-59.5167.3000110.2D264 A269D264-I267 PolarHBondContact O-N 3.2Å; I267-A269 PolarHBondContact O-N 3.37Å
268K71.3Confident75.9Confident70 Ų7066.8 Ų66.830%0.30437%0.37SS..SBendtrans-65.5127.8-175.6-167.2-177.1177.8-171.10111.2E263 D264 Y265 E458E263-K268 IonicContact OE1-NZ 2.84Å; E263-K268 PolarHBondContact OE1-NZ 2.97Å; E263-K268 IonicContact OE2-NZ 3.99Å; E263-K268 PolarHBondContact OE2-NZ 3.34Å; D264-K268 WeakPolarHBondContact O-CB 3.24Å; D264-K268 PolarHBondContact O-N 3.04Å; Y265-K268 HydrophobicContact CE1-CD 4.41Å; K268-E458 IonicContact NZ-OE1 3.41Å; K268-E458 PolarHBondContact NZ-OE1 2.76Å; K268-E458 IonicContact NZ-OE2 3.72Å; K268-E458 PolarHBondContact NZ-OE2 3.29Å
269A72Confident77.2Confident80 Ų8064.8 Ų64.866%0.66136%0.36SS*.PPolyproline II helixtrans-64.6135169.400000109.8I267 V271I267-A269 PolarHBondContact O-N 3.37Å; A269-V271 PolarHBondContact O-N 3.2Å
270P74.1Confident78.5Confident46 Ų4662.1 Ų62.130%0.29935%0.35SS..PPolyproline II helixtrans-57.6126.5178.3-20.428.7000111.1T272 G273P270-T272 PolarHBondContact O-N 3.46Å; P270-T272 VanDerWaalsContact O-N 3.07Å; P270-G273 PolarHBondContact O-N 3.32Å
271V71Confident80Confident88 Ų8862.4 Ų62.453%0.53335%0.353SS..THydrogen-bonded Turntrans-57.6-26.1177.4173.80000111.9A269 G273 E458A269-V271 PolarHBondContact O-N 3.2Å; V271-G273 VanDerWaalsContact C-N 3.32Å; V271-G273 PolarHBondContact O-N 3.4Å; V271-E458 HydrophobicContact CB-CG 4.2Å; V271-E458 HydrophobicContact CG2-CG 4.07Å; V271-E458 WeakPolarHBondContact CG2-OE1 3.48Å
272T74.8Confident81.4Confident22 Ų2263.5 Ų63.514%0.13537%0.369CS..THydrogen-bonded Turntrans-77.5-12.2-179.951.50000115P270 I322 F457P270-T272 PolarHBondContact O-N 3.46Å; P270-T272 VanDerWaalsContact O-N 3.07Å; T272-I322 PolarHBondContact OG1-O 3.13Å; T272-F457 HydrophobicContact CG2-CD1 4.44Å; T272-F457 HydrophobicContact CG2-CE1 3.48Å; T272-F457 VanDerWaalsContact CG2-CE1 3.48Å; T272-F457 HydrophobicContact CG2-CZ 4.19Å
273G82.5Confident82.9Confident38 Ų3864.1 Ų64.139%0.39237%0.365SS..  trans67.6-160-162.500000112.3P270 V271 V275P270-G273 PolarHBondContact O-N 3.32Å; V271-G273 VanDerWaalsContact C-N 3.32Å; V271-G273 PolarHBondContact O-N 3.4Å; G273-V275 PolarHBondContact O-N 2.83Å
274L87.4Confident84Confident149 Ų14961.2 Ų61.278%0.7836%0.355SS*.SBendtrans-70.5121.2178.2-68170000110.8P325L274-P325 HydrophobicContact CD2-CB 4.37Å; L274-P325 HydrophobicContact CD2-CG 4.34Å
275V92Very high85.1Confident4 Ų464.4 Ų64.42%0.02436%0.359CS..PPolyproline II helixtrans-98.1136176.4170.10000109.5G273 D279 I280 F283 I322 G323 L324 P325G273-V275 PolarHBondContact O-N 2.83Å; V275-D279 HydrophobicContact CG1-CB 4.09Å; V275-I280 HydrophobicContact CG1-CG1 4.43Å; V275-F283 HydrophobicContact CB-CE2 4.44Å; V275-F283 HydrophobicContact CG1-CD2 4.38Å; V275-F283 HydrophobicContact CG1-CE2 3.64Å; V275-F283 HydrophobicContact CG2-CE2 3.9Å; V275-F283 HydrophobicContact CG2-CZ 4.4Å; V275-I322 WeakPolarHBondContact CG2-O 3.38Å; V275-G323 PolarHBondContact N-O 2.94Å; V275-L324 HydrophobicContact CG1-CD1 4.36Å; V275-L324 WeakPolarHBondContact O-CD1 3.43Å; V275-P325 WeakPolarHBondContact O-CD 3.41Å
276K94.5Very high85.7Confident134 Ų13466.5 Ų66.558%0.58337%0.37SS*.PPolyproline II helixtrans-91160.5175.1-62.5179.7179.6176.90111.6D278 D279K276-D278 PolarHBondContact O-N 3.33Å; K276-D279 WeakPolarHBondContact CB-OD2 3.24Å; K276-D279 PolarHBondContact N-OD2 2.83Å; K276-D279 PolarHBondContact O-N 2.92Å; K276-D279 VanDerWaalsContact O-N 3.15Å
277A94Very high86.7Confident9 Ų966.9 Ų66.97%0.07437%0.371CS..THydrogen-bonded Turntrans-56.9-36.5178.300000113D279 E328 K331 F332A277-D279 VanDerWaalsContact C-N 3.35Å; A277-E328 HydrophobicContact CB-CB 4.42Å; A277-E328 WeakPolarHBondContact CB-O 3.48Å; A277-E328 WeakPolarHBondContact CB-OE2 3.48Å; A277-E328 PolarHBondContact N-OE2 2.63Å; A277-K331 HydrophobicContact CB-CB 4.19Å; A277-F332 HydrophobicContact CB-CB 3.92Å
278D94.2Very high87.9Confident106 Ų10660.1 Ų60.157%0.56734%0.338SS*.THydrogen-bonded Turntrans-77.2-19-177.7-66.6-42.5000113.4K276 I280 K335K276-D278 PolarHBondContact O-N 3.33Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.14Å; D278-K335 IonicContact OD1-NZ 2.8Å; D278-K335 PolarHBondContact OD1-NZ 3.04Å
279D93.9Very high89.1Confident67 Ų6756.9 Ų56.936%0.35832%0.324SS..Hα-helixtrans-73.2-26.5178.6-59.7-36.2000112.2V275 K276 A277 E281 G282 F283V275-D279 HydrophobicContact CG1-CB 4.09Å; K276-D279 WeakPolarHBondContact CB-OD2 3.24Å; K276-D279 PolarHBondContact N-OD2 2.83Å; K276-D279 PolarHBondContact O-N 2.92Å; K276-D279 VanDerWaalsContact O-N 3.15Å; A277-D279 VanDerWaalsContact C-N 3.35Å; D279-E281 VanDerWaalsContact C-N 3.3Å; D279-E281 PolarHBondContact O-N 3.26Å; D279-G282 WeakPolarHBondContact O-CA 3.34Å; D279-G282 PolarHBondContact O-N 2.95Å; D279-F283 HydrophobicContact CB-CD2 4.49Å; D279-F283 HydrophobicContact CB-CE2 3.96Å; D279-F283 HydrophobicContact CB-CZ 4.06Å; D279-F283 PolarHBondContact O-N 2.98Å
280I95.9Very high90.3Very high0 Ų053.4 Ų53.40%029%0.294CS..Hα-helixtrans-59.7-40.4-173-62.1166.7000111.6V275 D278 G282 F283 S284 F290 Y315 L319 L324 F332V275-I280 HydrophobicContact CG1-CG1 4.43Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.14Å; I280-G282 VanDerWaalsContact C-N 3.33Å; I280-F283 PolarHBondContact O-N 3.17Å; I280-S284 PolarHBondContact O-N 3.26Å; I280-F290 HydrophobicContact CG2-CZ 4.4Å; I280-Y315 WeakPolarHBondContact CG2-OH 3.22Å; I280-L319 HydrophobicContact CD1-CD1 4.16Å; I280-L319 HydrophobicContact CD1-CD2 4.18Å; I280-L319 HydrophobicContact CG1-CD2 4.23Å; I280-L319 HydrophobicContact CG2-CD2 3.89Å; I280-L324 HydrophobicContact CD1-CD1 3.84Å; I280-L324 HydrophobicContact CD1-CD2 3.59Å; I280-L324 HydrophobicContact CD1-CG 4.33Å; I280-L324 HydrophobicContact CG1-CD1 4.48Å; I280-F332 HydrophobicContact CB-CD2 4.4Å; I280-F332 HydrophobicContact CB-CE2 4.18Å; I280-F332 HydrophobicContact CD1-CB 4.1Å; I280-F332 HydrophobicContact CD1-CD1 4.24Å; I280-F332 HydrophobicContact CD1-CD2 3.41Å; I280-F332 VanDerWaalsContact CD1-CD2 3.41Å; I280-F332 HydrophobicContact CD1-CE2 3.83Å; I280-F332 HydrophobicContact CD1-CG 3.64Å; I280-F332 HydrophobicContact CD1-CZ 4.41Å; I280-F332 HydrophobicContact CG1-CD2 4.5Å; I280-F332 HydrophobicContact CG2-CD2 4.47Å; I280-F332 HydrophobicContact CG2-CE2 3.83Å; I280-F332 HydrophobicContact CG2-CZ 4.19Å
281E94.5Very high91.4Very high50 Ų5051.2 Ų51.223%0.23428%0.28CS..Hα-helixtrans-63.6-41.8177.2-177.275-153.500110.8D279 S284 R285 H298 K302D279-E281 VanDerWaalsContact C-N 3.3Å; D279-E281 PolarHBondContact O-N 3.26Å; E281-S284 PolarHBondContact O-N 2.65Å; E281-R285 VanDerWaalsContact O-CG 3.31Å; E281-R285 WeakPolarHBondContact O-CG 3.49Å; E281-R285 PolarHBondContact O-N 2.7Å; E281-R285 IonicContact OE1-CZ 3.01Å; E281-R285 IonicContact OE1-NE 3.13Å; E281-R285 PolarHBondContact OE1-NE 3.46Å; E281-R285 IonicContact OE1-NH2 3.76Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å; E281-H298 IonicContact OE2-NE2 2.73Å; E281-K302 IonicContact OE1-NZ 2.73Å; E281-K302 WeakPolarHBondContact OE2-CE 3.36Å; E281-K302 IonicContact OE2-NZ 3.42Å; E281-K302 PolarHBondContact OE2-NZ 2.96Å
282G94.5Very high92.6Very high44 Ų4447.8 Ų47.845%0.45426%0.259SS..Hα-helixtrans-60.9-44.8175.100000111.8D279 I280 R285 Q286D279-G282 WeakPolarHBondContact O-CA 3.34Å; D279-G282 PolarHBondContact O-N 2.95Å; I280-G282 VanDerWaalsContact C-N 3.33Å; G282-R285 PolarHBondContact O-N 3.21Å; G282-Q286 PolarHBondContact O-N 2.98Å; G282-Q286 VanDerWaalsContact O-N 3.15Å
283F94.7Very high93.7Very high35 Ų3547.4 Ų47.415%0.15426%0.257CS..Hα-helixtrans-64.1-40.9177.1-62.6-29.5000113.1V275 D279 I280 R285 Q286 L289 F290 I322 F457V275-F283 HydrophobicContact CB-CE2 4.44Å; V275-F283 HydrophobicContact CG1-CD2 4.38Å; V275-F283 HydrophobicContact CG1-CE2 3.64Å; V275-F283 HydrophobicContact CG2-CE2 3.9Å; V275-F283 HydrophobicContact CG2-CZ 4.4Å; D279-F283 HydrophobicContact CB-CD2 4.49Å; D279-F283 HydrophobicContact CB-CE2 3.96Å; D279-F283 HydrophobicContact CB-CZ 4.06Å; D279-F283 PolarHBondContact O-N 2.98Å; I280-F283 PolarHBondContact O-N 3.17Å; F283-R285 VanDerWaalsContact C-N 3.31Å; F283-R285 PolarHBondContact O-N 3.34Å; F283-Q286 PolarHBondContact O-N 3.44Å; F283-L289 HydrophobicContact CB-CD2 3.87Å; F283-L289 HydrophobicContact CD1-CD2 3.85Å; F283-L289 HydrophobicContact CG-CD2 4.13Å; F283-F290 HydrophobicContact CB-CD1 4.33Å; F283-F290 HydrophobicContact CB-CE1 3.52Å; F283-F290 HydrophobicContact CB-CZ 3.86Å; F283-I322 HydrophobicContact CD2-CD1 4.31Å; F283-F457 HydrophobicContact CB-CE2 4.37Å; F283-F457 HydrophobicContact CD2-CE2 4.47Å; F283-F457 HydrophobicContact CD2-CZ 4.17Å; F283-F457 HydrophobicContact CE2-CZ 4.39Å; F283-F457 HydrophobicContact CG-CE2 4.36Å; F283-F457 HydrophobicContact CG-CZ 4.37Å
284S94.2Very high94.4Very high29 Ų2945.7 Ų45.720%0.20324%0.239CC..Hα-helixtrans-67.9-32.1178.7-168.30000112.8I280 E281 Q286 H298I280-S284 PolarHBondContact O-N 3.26Å; E281-S284 PolarHBondContact O-N 2.65Å; S284-Q286 VanDerWaalsContact C-N 3.34Å; S284-H298 VanDerWaalsContact CB-CD2 3.41Å; S284-H298 WeakPolarHBondContact CB-CD2 3.36Å; S284-H298 PolarHBondContact OG-CD2 2.86Å
285R93.6Very high94.8Very high170 Ų17040 Ų4064%0.64221%0.213SC*.Hα-helixtrans-75.6-24.9177.5-71.5175.3-173.8-175.61.4112.6E281 G282 F283 P287E281-R285 VanDerWaalsContact O-CG 3.31Å; E281-R285 WeakPolarHBondContact O-CG 3.49Å; E281-R285 PolarHBondContact O-N 2.7Å; E281-R285 IonicContact OE1-CZ 3.01Å; E281-R285 IonicContact OE1-NE 3.13Å; E281-R285 PolarHBondContact OE1-NE 3.46Å; E281-R285 IonicContact OE1-NH2 3.76Å; E281-R285 PolarHBondContact OE1-NH2 3.48Å; G282-R285 PolarHBondContact O-N 3.21Å; F283-R285 VanDerWaalsContact C-N 3.31Å; F283-R285 PolarHBondContact O-N 3.34Å; R285-P287 WeakPolarHBondContact O-CD 3.3Å
286Q93.3Very high95Very high62 Ų6241.6 Ų41.629%0.2922%0.221SC..SBendtrans-65.9119.2178.5-172.5166.5-4.400110.4G282 F283 S284 G288 L289 L464G282-Q286 PolarHBondContact O-N 2.98Å; G282-Q286 VanDerWaalsContact O-N 3.15Å; F283-Q286 PolarHBondContact O-N 3.44Å; S284-Q286 VanDerWaalsContact C-N 3.34Å; Q286-G288 PolarHBondContact O-N 3.1Å; Q286-L289 HydrophobicContact CB-CB 3.97Å; Q286-L289 HydrophobicContact CB-CD2 4.02Å; Q286-L289 HydrophobicContact CG-CB 4.07Å; Q286-L289 HydrophobicContact CG-CD2 4.33Å; Q286-L289 PolarHBondContact O-N 3.23Å; Q286-L464 HydrophobicContact CG-CD1 4.32Å
287P91.4Very high95.1Very high55 Ų5535.3 Ų35.336%0.35719%0.193SC..THydrogen-bonded Turntrans-57.8129.5-177.4-22.531.7000112.1R285 L289 M437R285-P287 WeakPolarHBondContact O-CD 3.3Å; P287-L289 PolarHBondContact O-N 3.41Å; P287-M437 HydrophobicContact CB-CE 4.05Å
288G93Very high95.3Very high5 Ų535.1 Ų35.15%0.05219%0.191CC..THydrogen-bonded Turntrans75.6-3.9173.800000115.3Q286 Y456Q286-G288 PolarHBondContact O-N 3.1Å; G288-Y456 WeakPolarHBondContact O-CE1 3.47Å; G288-Y456 PolarHBondContact O-OH 3.03Å
289L95.6Very high95.4Very high2 Ų235.6 Ų35.61%0.0119%0.19CC..THydrogen-bonded Turntrans-75.3-45.7-177.9-178.261.4000112.4F283 Q286 P287 Y456 F457 A460 R461 L464F283-L289 HydrophobicContact CB-CD2 3.87Å; F283-L289 HydrophobicContact CD1-CD2 3.85Å; F283-L289 HydrophobicContact CG-CD2 4.13Å; Q286-L289 HydrophobicContact CB-CB 3.97Å; Q286-L289 HydrophobicContact CB-CD2 4.02Å; Q286-L289 HydrophobicContact CG-CB 4.07Å; Q286-L289 HydrophobicContact CG-CD2 4.33Å; Q286-L289 PolarHBondContact O-N 3.23Å; P287-L289 PolarHBondContact O-N 3.41Å; L289-Y456 WeakPolarHBondContact O-CE1 3.44Å; L289-F457 HydrophobicContact CD1-CD2 3.71Å; L289-F457 HydrophobicContact CD1-CE2 3.69Å; L289-F457 HydrophobicContact CD1-CZ 4.47Å; L289-F457 HydrophobicContact CD2-CD2 4.4Å; L289-F457 HydrophobicContact CD2-CE2 3.69Å; L289-F457 HydrophobicContact CD2-CZ 4.44Å; L289-F457 HydrophobicContact CG-CD2 3.69Å; L289-F457 HydrophobicContact CG-CE2 3.48Å; L289-F457 VanDerWaalsContact CG-CE2 3.48Å; L289-F457 WeakPolarHBondContact O-CD2 3.35Å; L289-A460 HydrophobicContact CD1-CB 4.05Å; L289-R461 HydrophobicContact CD1-CB 3.97Å; L289-L464 HydrophobicContact CB-CD1 4.39Å; L289-L464 HydrophobicContact CD1-CD1 4.19Å
290F97Very high95.5Very high6 Ų632.7 Ų32.73%0.02618%0.175CC..SBendtrans-82.1136.4172.2-82.312.2000110.7I280 F283 A295 Y315 F318 F457I280-F290 HydrophobicContact CG2-CZ 4.4Å; F283-F290 HydrophobicContact CB-CD1 4.33Å; F283-F290 HydrophobicContact CB-CE1 3.52Å; F283-F290 HydrophobicContact CB-CZ 3.86Å; F290-A295 HydrophobicContact CB-CB 4.2Å; F290-Y315 HydrophobicContact CE2-CE2 4.34Å; F290-F318 HydrophobicContact CD1-CE1 4.22Å; F290-F318 HydrophobicContact CD1-CZ 4.13Å; F290-F318 AromaticContact CE1-CE1 3.98Å; F290-F318 HydrophobicContact CE1-CE1 3.98Å; F290-F318 HydrophobicContact CE1-CZ 4.15Å; F290-F318 HydrophobicContact CE2-CE1 4.35Å; F290-F318 HydrophobicContact CG-CE1 4.48Å; F290-F318 HydrophobicContact CZ-CE1 4.06Å; F290-F457 AromaticContact CD1-CD2 3.87Å; F290-F457 HydrophobicContact CD1-CD2 3.87Å; F290-F457 AromaticContact CD1-CE2 3.97Å; F290-F457 HydrophobicContact CD1-CE2 3.97Å; F290-F457 HydrophobicContact CE1-CD2 4.04Å; F290-F457 AromaticContact CE1-CE2 3.75Å; F290-F457 HydrophobicContact CE1-CE2 3.75Å
291P97Very high95.5Very high1 Ų132.7 Ų32.71%0.00618%0.175CC..  trans-64.2152.2171.125.3-30.8000109.9C293 M294 A295 F318 P453 Y456P291-C293 PolarHBondContact O-N 3.27Å; P291-C293 VanDerWaalsContact O-N 3.08Å; P291-M294 HydrophobicContact CG-CB 3.99Å; P291-M294 HydrophobicContact CG-CG 3.72Å; P291-M294 PolarHBondContact O-N 3.13Å; P291-A295 PolarHBondContact O-N 3.08Å; P291-F318 HydrophobicContact CG-CE2 4.42Å; P291-P453 HydrophobicContact CG-CB 3.94Å; P291-Y456 HydrophobicContact CB-CD1 3.64Å; P291-Y456 HydrophobicContact CB-CD2 3.96Å; P291-Y456 HydrophobicContact CB-CE1 4.05Å; P291-Y456 HydrophobicContact CB-CE2 4.31Å; P291-Y456 HydrophobicContact CB-CG 3.65Å; P291-Y456 HydrophobicContact CG-CD1 4.03Å; P291-Y456 HydrophobicContact CG-CG 4.28Å
292P96.5Very high95.5Very high15 Ų1533.9 Ų33.910%0.09718%0.179CC..Hα-helixtrans-51.3-38.3-177.7-31.537.2000114.4M294 Q296 P390 F391 Y433P292-M294 VanDerWaalsContact C-N 3.29Å; P292-M294 PolarHBondContact O-N 2.95Å; P292-Q296 WeakPolarHBondContact O-CB 3.44Å; P292-Q296 PolarHBondContact O-N 3.24Å; P292-P390 HydrophobicContact CB-CB 4.49Å; P292-P390 HydrophobicContact CB-CG 4Å; P292-F391 HydrophobicContact CB-CE2 4.48Å; P292-F391 HydrophobicContact CB-CZ 4.3Å; P292-F391 HydrophobicContact CG-CE2 4.11Å; P292-F391 HydrophobicContact CG-CZ 3.76Å; P292-Y433 HydrophobicContact CG-CD1 3.42Å; P292-Y433 VanDerWaalsContact CG-CD1 3.42Å; P292-Y433 HydrophobicContact CG-CD2 3.95Å; P292-Y433 HydrophobicContact CG-CE1 3.49Å; P292-Y433 VanDerWaalsContact CG-CE1 3.49Å; P292-Y433 HydrophobicContact CG-CE2 4.02Å; P292-Y433 HydrophobicContact CG-CG 3.65Å
293C97.5Very high95.5Very high15 Ų1535.9 Ų35.910%0.10118%0.183CC..Hα-helixtrans-63.2-32.9178.560.10000113.1P291 L297 G388 P390P291-C293 PolarHBondContact O-N 3.27Å; P291-C293 VanDerWaalsContact O-N 3.08Å; C293-L297 VanDerWaalsContact O-CD1 3.26Å; C293-L297 WeakPolarHBondContact O-CD1 3.39Å; C293-L297 VanDerWaalsContact O-CG 3.32Å; C293-L297 WeakPolarHBondContact O-CG 3.43Å; C293-G388 WeakPolarHBondContact CB-O 3.35Å; C293-P390 HydrophobicContact CB-CG 4.36Å
294M98.1Very high95.6Very high1 Ų137.6 Ų37.61%0.00519%0.191CC..Hα-helixtrans-91.7-33.8179.8-58.9-58.9164.300111.9P291 P292 Q296 L297 H298 Q314 Y315 F318 I375 P453P291-M294 HydrophobicContact CG-CB 3.99Å; P291-M294 HydrophobicContact CG-CG 3.72Å; P291-M294 PolarHBondContact O-N 3.13Å; P292-M294 VanDerWaalsContact C-N 3.29Å; P292-M294 PolarHBondContact O-N 2.95Å; M294-Q296 VanDerWaalsContact C-N 3.34Å; M294-Q296 PolarHBondContact O-N 2.62Å; M294-L297 PolarHBondContact O-N 2.78Å; M294-L297 HydrophobicContact SD-CD1 3.87Å; M294-H298 WeakPolarHBondContact O-CB 3.32Å; M294-H298 PolarHBondContact O-N 3.48Å; M294-Q314 HydrophobicContact CE-CG 3.55Å; M294-Q314 HydrophobicContact SD-CG 4.19Å; M294-Y315 HydrophobicContact CB-CD2 4.35Å; M294-Y315 HydrophobicContact CB-CE2 4.34Å; M294-Y315 HydrophobicContact SD-CD2 3.99Å; M294-F318 HydrophobicContact CB-CD1 3.95Å; M294-F318 HydrophobicContact CB-CE1 3.87Å; M294-F318 HydrophobicContact CB-CG 4.43Å; M294-F318 HydrophobicContact CB-CZ 4.3Å; M294-F318 HydrophobicContact CE-CB 3.7Å; M294-F318 HydrophobicContact CE-CD2 4.38Å; M294-F318 HydrophobicContact CE-CG 4.08Å; M294-F318 HydrophobicContact CG-CB 4.2Å; M294-F318 HydrophobicContact CG-CD1 3.63Å; M294-F318 HydrophobicContact CG-CD2 3.88Å; M294-F318 HydrophobicContact CG-CE1 3.91Å; M294-F318 HydrophobicContact CG-CE2 4.14Å; M294-F318 HydrophobicContact CG-CG 3.62Å; M294-F318 HydrophobicContact CG-CZ 4.15Å; M294-F318 HydrophobicContact SD-CB 3.58Å; M294-F318 VanDerWaalsContact SD-CB 3.58Å; M294-F318 HydrophobicContact SD-CD1 3.89Å; M294-F318 HydrophobicContact SD-CD2 4.37Å; M294-F318 HydrophobicContact SD-CG 3.68Å; M294-I375 HydrophobicContact CE-CD1 4.06Å; M294-P453 HydrophobicContact CE-CB 3.73Å; M294-P453 HydrophobicContact CE-CG 3.76Å; M294-P453 HydrophobicContact CG-CB 4.3Å
295A96.2Very high95.6Very high29 Ų2939.1 Ų39.124%0.2420%0.195CC..Hα-helixtrans-59.4-44.9172.600000111.3F290 P291 L297 H298 E299F290-A295 HydrophobicContact CB-CB 4.2Å; P291-A295 PolarHBondContact O-N 3.08Å; A295-L297 PolarHBondContact O-N 3.49Å; A295-H298 PolarHBondContact O-N 2.93Å; A295-E299 WeakPolarHBondContact O-CB 3.21Å; A295-E299 PolarHBondContact O-N 3.42Å
296Q95.3Very high95.7Very high39 Ų3933.9 Ų33.918%0.18218%0.178CC..Hα-helixtrans-62.4-40.7175.3179.6-179.5-13.900112.5P292 M294 A300 R402P292-Q296 WeakPolarHBondContact O-CB 3.44Å; P292-Q296 PolarHBondContact O-N 3.24Å; M294-Q296 VanDerWaalsContact C-N 3.34Å; M294-Q296 PolarHBondContact O-N 2.62Å; Q296-A300 WeakPolarHBondContact O-CB 3.26Å; Q296-A300 PolarHBondContact O-N 3.39Å; Q296-R402 VanDerWaalsContact NE2-NH1 3.11Å
297L97.6Very high95.8Very high2 Ų231 Ų311%0.0116%0.164CC..Hα-helixtrans-65.1-42.3177.9-78.3165.3000111.6C293 M294 A295 L301 L307 Q314 Y315 Y386C293-L297 VanDerWaalsContact O-CD1 3.26Å; C293-L297 WeakPolarHBondContact O-CD1 3.39Å; C293-L297 VanDerWaalsContact O-CG 3.32Å; C293-L297 WeakPolarHBondContact O-CG 3.43Å; M294-L297 PolarHBondContact O-N 2.78Å; M294-L297 HydrophobicContact SD-CD1 3.87Å; A295-L297 PolarHBondContact O-N 3.49Å; L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 3.17Å; L297-L307 HydrophobicContact CD2-CD1 4.27Å; L297-L307 HydrophobicContact CD2-CD2 4.08Å; L297-Q314 HydrophobicContact CD1-CB 4.1Å; L297-Q314 HydrophobicContact CD1-CG 3.71Å; L297-Y315 HydrophobicContact CB-CD2 3.89Å; L297-Y315 HydrophobicContact CB-CG 4.08Å; L297-Y386 WeakPolarHBondContact CD2-O 3.46Å
298H97.7Very high96Very high4 Ų434.1 Ų34.12%0.01917%0.169CC..Hα-helixtrans-63.6-47.3176.5-170.886.2000111.2E281 S284 M294 A295 A300 L301 K302 Y315E281-H298 IonicContact OE2-NE2 2.73Å; S284-H298 VanDerWaalsContact CB-CD2 3.41Å; S284-H298 WeakPolarHBondContact CB-CD2 3.36Å; S284-H298 PolarHBondContact OG-CD2 2.86Å; M294-H298 WeakPolarHBondContact O-CB 3.32Å; M294-H298 PolarHBondContact O-N 3.48Å; A295-H298 PolarHBondContact O-N 2.93Å; H298-A300 PolarHBondContact O-N 2.83Å; H298-L301 WeakPolarHBondContact O-CB 3.25Å; H298-L301 PolarHBondContact O-N 3.25Å; H298-K302 VanDerWaalsContact O-CG 3.31Å; H298-K302 WeakPolarHBondContact O-CG 3.49Å; H298-K302 PolarHBondContact O-N 3.46Å; H298-Y315 HydrophobicContact CB-CE2 4.2Å; H298-Y315 AromaticContact ND1-CZ 3.67Å; H298-Y315 PolarHBondContact ND1-OH 2.99Å
299E95.3Very high96Very high116 Ų11638.7 Ų38.754%0.54219%0.189SC..Hα-helixtrans-60-49178.6-173.657.8-145.900111.8A295 L301 K302 V303A295-E299 WeakPolarHBondContact O-CB 3.21Å; A295-E299 PolarHBondContact O-N 3.42Å; E299-L301 VanDerWaalsContact C-N 3.28Å; E299-L301 PolarHBondContact O-N 2.59Å; E299-K302 WeakPolarHBondContact O-CB 3.46Å; E299-K302 PolarHBondContact O-N 3.41Å; E299-K302 VanDerWaalsContact O-N 3.1Å; E299-V303 WeakPolarHBondContact O-CG2 3.14Å; E299-V303 PolarHBondContact O-N 3.27Å
300A95.8Very high96Very high6 Ų640.9 Ų40.95%0.0520%0.204CC..Hα-helixtrans-60.9-38.5177.400000112.5Q296 H298 K302 V303 H304 L307 Y386Q296-A300 WeakPolarHBondContact O-CB 3.26Å; Q296-A300 PolarHBondContact O-N 3.39Å; H298-A300 PolarHBondContact O-N 2.83Å; A300-K302 VanDerWaalsContact C-N 3.32Å; A300-K302 PolarHBondContact O-N 3.03Å; A300-V303 PolarHBondContact O-N 3.02Å; A300-H304 WeakPolarHBondContact O-CB 3.24Å; A300-H304 PolarHBondContact O-CD2 2.63Å; A300-H304 PolarHBondContact O-N 3.49Å; A300-L307 HydrophobicContact CB-CD2 4.33Å; A300-Y386 HydrophobicContact CB-CD1 3.43Å; A300-Y386 VanDerWaalsContact CB-CD1 3.43Å; A300-Y386 HydrophobicContact CB-CD2 3.57Å; A300-Y386 HydrophobicContact CB-CE1 3.76Å; A300-Y386 HydrophobicContact CB-CE2 3.87Å; A300-Y386 HydrophobicContact CB-CG 3.33Å
301L96.4Very high96Very high0 Ų040.7 Ų40.70%020%0.203CC..Hα-helixtrans-63.9-37.4176.2176.261.5000111.6L297 H298 E299 H305 L307 Y315 F332 W333 V336 F337L297-L301 WeakPolarHBondContact O-CB 3.41Å; L297-L301 PolarHBondContact O-N 3.17Å; H298-L301 WeakPolarHBondContact O-CB 3.25Å; H298-L301 PolarHBondContact O-N 3.25Å; E299-L301 VanDerWaalsContact C-N 3.28Å; E299-L301 PolarHBondContact O-N 2.59Å; L301-H305 WeakPolarHBondContact O-CA 3.41Å; L301-H305 PolarHBondContact O-N 3.32Å; L301-L307 HydrophobicContact CB-CD1 3.89Å; L301-L307 HydrophobicContact CB-CD2 4.45Å; L301-L307 HydrophobicContact CB-CG 3.95Å; L301-L307 HydrophobicContact CD1-CD1 4.12Å; L301-L307 HydrophobicContact CD1-CG 3.96Å; L301-L307 HydrophobicContact CD2-CD1 4.23Å; L301-L307 HydrophobicContact CG-CD1 4.28Å; L301-L307 HydrophobicContact CG-CG 4.44Å; L301-Y315 HydrophobicContact CD2-CD1 4.05Å; L301-Y315 HydrophobicContact CD2-CE1 3.83Å; L301-F332 HydrophobicContact CD2-CE1 3.97Å; L301-F332 HydrophobicContact CD2-CZ 3.82Å; L301-W333 HydrophobicContact CD1-CZ3 3.91Å; L301-W333 HydrophobicContact CD2-CE3 4.47Å; L301-W333 HydrophobicContact CD2-CH2 4.23Å; L301-W333 HydrophobicContact CD2-CZ3 3.83Å; L301-V336 HydrophobicContact CD1-CG1 3.71Å; L301-V336 HydrophobicContact CD2-CG1 4.12Å; L301-V336 HydrophobicContact CG-CB 4.49Å; L301-V336 HydrophobicContact CG-CG1 3.55Å; L301-F337 HydrophobicContact CD1-CD1 4.01Å; L301-F337 HydrophobicContact CD1-CE1 3.4Å; L301-F337 HydrophobicContact CD1-CZ 4.39Å
302K95Very high96Very high75 Ų7542.5 Ų42.533%0.32621%0.21SC..Hα-helixtrans-70.9-43.1176.7-69.6-69.2-60.8-154.10112.6E281 H298 E299 A300 H305E281-K302 IonicContact OE1-NZ 2.73Å; E281-K302 WeakPolarHBondContact OE2-CE 3.36Å; E281-K302 IonicContact OE2-NZ 3.42Å; E281-K302 PolarHBondContact OE2-NZ 2.96Å; H298-K302 VanDerWaalsContact O-CG 3.31Å; H298-K302 WeakPolarHBondContact O-CG 3.49Å; H298-K302 PolarHBondContact O-N 3.46Å; E299-K302 WeakPolarHBondContact O-CB 3.46Å; E299-K302 PolarHBondContact O-N 3.41Å; E299-K302 VanDerWaalsContact O-N 3.1Å; A300-K302 VanDerWaalsContact C-N 3.32Å; A300-K302 PolarHBondContact O-N 3.03Å; K302-H305 PolarHBondContact O-CE1 3.28Å; K302-H305 PolarHBondContact O-NE2 3.22Å
303V94.7Very high95.9Very high87 Ų8742.2 Ų42.253%0.52721%0.208SC..Hα-helixtrans-71.9-43.6-178.7174.30000111.4E299 A300E299-V303 WeakPolarHBondContact O-CG2 3.14Å; E299-V303 PolarHBondContact O-N 3.27Å; A300-V303 PolarHBondContact O-N 3.02Å
304H95.6Very high95.9Very high70 Ų7041.8 Ų41.832%0.32420%0.204SC..Hα-helixtrans-100-8.5-171.5-60.1-55.5000114.4A300 H306 K340 Y386A300-H304 WeakPolarHBondContact O-CB 3.24Å; A300-H304 PolarHBondContact O-CD2 2.63Å; A300-H304 PolarHBondContact O-N 3.49Å; H304-H306 PolarHBondContact O-N 3.48Å; H304-H306 VanDerWaalsContact O-N 3.07Å; H304-K340 WeakPolarHBondContact O-CD 2.88Å; H304-K340 VanDerWaalsContact O-CE 3.23Å; H304-K340 WeakPolarHBondContact O-CE 3.48Å; H304-K340 PolarHBondContact O-NZ 3.14Å; H304-Y386 AromaticContact CD2-CE2 3.48Å; H304-Y386 VanDerWaalsContact CD2-CE2 3.48Å; H304-Y386 WeakPolarHBondContact CD2-CE2 3.27Å; H304-Y386 AromaticContact CD2-CZ 3.75Å; H304-Y386 AromaticContact NE2-CE2 3.69Å; H304-Y386 AromaticContact NE2-CZ 3.52Å; H304-Y386 PolarHBondContact NE2-OH 3.37Å
305H95.5Very high96Very high61 Ų6141.7 Ų41.728%0.28220%0.204SC..SBendtrans51.528.6-174.4-61.4-68000113.2L301 K302 V336 F337 P339 K340L301-H305 WeakPolarHBondContact O-CA 3.41Å; L301-H305 PolarHBondContact O-N 3.32Å; K302-H305 PolarHBondContact O-CE1 3.28Å; K302-H305 PolarHBondContact O-NE2 3.22Å; H305-V336 WeakPolarHBondContact CB-O 3.29Å; H305-V336 PolarHBondContact ND1-O 2.94Å; H305-V336 VanDerWaalsContact ND1-O 3.07Å; H305-F337 VanDerWaalsContact O-CD1 3.23Å; H305-F337 WeakPolarHBondContact O-CD1 3.29Å; H305-P339 HydrophobicContact CB-CB 4.37Å; H305-P339 HydrophobicContact CB-CG 4.39Å; H305-K340 HydrophobicContact CB-CD 4.29Å; H305-K340 HydrophobicContact CB-CG 4.27Å
306H94.6Very high96Very high61 Ų6140.6 Ų40.628%0.28220%0.195SC..  trans-162.2145-176.4-177.9-96.8000110.7H304 Y350H304-H306 PolarHBondContact O-N 3.48Å; H304-H306 VanDerWaalsContact O-N 3.07Å; H306-Y350 PolarHBondContact CD2-OH 3.02Å; H306-Y350 PolarHBondContact NE2-OH 3.04Å
307L95.9Very high96Very high1 Ų138.7 Ų38.71%0.00519%0.186CC..  trans-132141.1165.3-75.7175.2000108.7L297 A300 L301 R312 Y315 W333 Y386L297-L307 HydrophobicContact CD2-CD1 4.27Å; L297-L307 HydrophobicContact CD2-CD2 4.08Å; A300-L307 HydrophobicContact CB-CD2 4.33Å; L301-L307 HydrophobicContact CB-CD1 3.89Å; L301-L307 HydrophobicContact CB-CD2 4.45Å; L301-L307 HydrophobicContact CB-CG 3.95Å; L301-L307 HydrophobicContact CD1-CD1 4.12Å; L301-L307 HydrophobicContact CD1-CG 3.96Å; L301-L307 HydrophobicContact CD2-CD1 4.23Å; L301-L307 HydrophobicContact CG-CD1 4.28Å; L301-L307 HydrophobicContact CG-CG 4.44Å; L307-R312 HydrophobicContact CB-CG 3.68Å; L307-R312 WeakPolarHBondContact O-CD 3.09Å; L307-R312 VanDerWaalsContact O-CG 3.31Å; L307-R312 WeakPolarHBondContact O-CG 3.45Å; L307-R312 PolarHBondContact O-NH1 2.68Å; L307-Y315 HydrophobicContact CD1-CD1 4.43Å; L307-W333 HydrophobicContact CD1-CH2 4.07Å; L307-W333 HydrophobicContact CD1-CZ3 4.27Å; L307-Y386 HydrophobicContact CD2-CD2 4.5Å
308R95.2Very high96Very high121 Ų12138.7 Ų38.746%0.45719%0.186SC..  trans-71.5170.1171.9-57.7-139.5-164.8128.1-7111.1S310 G311 R312 A383 D385R308-S310 PolarHBondContact O-N 2.92Å; R308-G311 PolarHBondContact O-N 3.32Å; R308-G311 VanDerWaalsContact O-N 3.09Å; R308-R312 WeakPolarHBondContact O-CG 3.45Å; R308-R312 PolarHBondContact O-N 3.34Å; R308-A383 PolarHBondContact NH2-O 3.26Å; R308-D385 VanDerWaalsContact CB-OD1 3.27Å; R308-D385 WeakPolarHBondContact CB-OD1 3.34Å; R308-D385 WeakPolarHBondContact CD-OD1 3.43Å; R308-D385 WeakPolarHBondContact CG-OD1 3.49Å; R308-D385 IonicContact CZ-OD1 3.09Å; R308-D385 IonicContact NE-OD1 2.74Å; R308-D385 PolarHBondContact NE-OD1 3.21Å; R308-D385 IonicContact NH1-OD1 3.05Å; R308-D385 PolarHBondContact NH1-OD1 3.45Å; R308-D385 IonicContact NH1-OD2 3.3Å; R308-D385 PolarHBondContact NH1-OD2 2.9Å
309H94.4Very high95.9Very high101 Ų10138.5 Ų38.547%0.46819%0.185SC..Hα-helixtrans-49.2-53.9-171.1179.472.6000113.4G311 R312 M313H309-G311 VanDerWaalsContact C-N 3.32Å; H309-G311 PolarHBondContact O-N 2.98Å; H309-R312 PolarHBondContact O-N 2.95Å; H309-R312 VanDerWaalsContact O-N 3.16Å; H309-M313 WeakPolarHBondContact O-CG 2.87Å; H309-M313 PolarHBondContact O-N 3.39Å
310S94.8Very high95.8Very high48 Ų4834.4 Ų34.434%0.33617%0.165SC..Hα-helixtrans-58.5-41.3-179.2-520000113.1R308 M313 Q314R308-S310 PolarHBondContact O-N 2.92Å; S310-M313 PolarHBondContact O-N 3.35Å; S310-Q314 WeakPolarHBondContact O-CB 3.2Å; S310-Q314 PolarHBondContact O-N 3.06Å
311G96.9Very high95.7Very high1 Ų134.5 Ų34.51%0.0117%0.167CC..Hα-helixtrans-66.5-41.9176.600000112.8R308 H309 Q314 Y315 Y386R308-G311 PolarHBondContact O-N 3.32Å; R308-G311 VanDerWaalsContact O-N 3.09Å; H309-G311 VanDerWaalsContact C-N 3.32Å; H309-G311 PolarHBondContact O-N 2.98Å; G311-Q314 PolarHBondContact O-N 3.38Å; G311-Y315 VanDerWaalsContact O-CB 3.26Å; G311-Y315 WeakPolarHBondContact O-CB 3.42Å; G311-Y315 PolarHBondContact O-N 3.22Å; G311-Y386 WeakPolarHBondContact CA-O 3.19Å
312R96.5Very high95.5Very high39 Ų3934.6 Ų34.615%0.14717%0.168CC..Hα-helixtrans-63.6-40.7175-65.7-169.3-51-97.88.7112L307 R308 H309 G316 W333 F337L307-R312 HydrophobicContact CB-CG 3.68Å; L307-R312 WeakPolarHBondContact O-CD 3.09Å; L307-R312 VanDerWaalsContact O-CG 3.31Å; L307-R312 WeakPolarHBondContact O-CG 3.45Å; L307-R312 PolarHBondContact O-NH1 2.68Å; R308-R312 WeakPolarHBondContact O-CG 3.45Å; R308-R312 PolarHBondContact O-N 3.34Å; H309-R312 PolarHBondContact O-N 2.95Å; H309-R312 VanDerWaalsContact O-N 3.16Å; R312-G316 VanDerWaalsContact O-CA 3.31Å; R312-G316 WeakPolarHBondContact O-CA 3.46Å; R312-G316 PolarHBondContact O-N 3.41Å; R312-W333 HydrophobicContact CB-CH2 4.38Å; R312-W333 HydrophobicContact CG-CH2 4.22Å; R312-W333 HydrophobicContact CG-CZ3 4.24Å; R312-F337 HydrophobicContact CG-CZ 4.45Å
313M96Very high95.4Very high9 Ų931.4 Ų31.44%0.04416%0.156CC..Hα-helixtrans-65.2-50.7177.2-66-59.2-62.200111H309 S310 Y315 L317 N357 Y367 Y370H309-M313 WeakPolarHBondContact O-CG 2.87Å; H309-M313 PolarHBondContact O-N 3.39Å; S310-M313 PolarHBondContact O-N 3.35Å; M313-Y315 PolarHBondContact O-N 3.17Å; M313-L317 HydrophobicContact CE-CD1 3.99Å; M313-L317 VanDerWaalsContact O-CB 3.27Å; M313-L317 WeakPolarHBondContact O-CB 3.4Å; M313-L317 WeakPolarHBondContact O-CD1 3.13Å; M313-L317 WeakPolarHBondContact O-CG 3.27Å; M313-L317 PolarHBondContact O-N 2.9Å; M313-L317 VanDerWaalsContact O-N 3.08Å; M313-N357 VanDerWaalsContact CE-OD1 3.28Å; M313-N357 WeakPolarHBondContact CE-OD1 3.18Å; M313-Y367 HydrophobicContact CE-CD1 4.24Å; M313-Y367 HydrophobicContact CE-CE1 4.5Å; M313-Y370 HydrophobicContact CB-CE2 4.2Å; M313-Y370 WeakPolarHBondContact CB-OH 3.4Å
314Q97.5Very high95.4Very high6 Ų627.3 Ų27.33%0.02813%0.131CC..Hα-helixtrans-61.1-47.6-179.6179.4172.9-2800112M294 L297 S310 G311 F318 Y370 I375 G388M294-Q314 HydrophobicContact CE-CG 3.55Å; M294-Q314 HydrophobicContact SD-CG 4.19Å; L297-Q314 HydrophobicContact CD1-CB 4.1Å; L297-Q314 HydrophobicContact CD1-CG 3.71Å; S310-Q314 WeakPolarHBondContact O-CB 3.2Å; S310-Q314 PolarHBondContact O-N 3.06Å; G311-Q314 PolarHBondContact O-N 3.38Å; Q314-F318 WeakPolarHBondContact O-CB 3.42Å; Q314-F318 PolarHBondContact O-N 3.25Å; Q314-Y370 HydrophobicContact CB-CD2 4.09Å; Q314-Y370 HydrophobicContact CB-CE2 4.34Å; Q314-Y370 HydrophobicContact CG-CD2 4.42Å; Q314-I375 HydrophobicContact CG-CD1 4.11Å; Q314-I375 HydrophobicContact CG-CG1 4.37Å; Q314-G388 PolarHBondContact NE2-O 3.27Å; Q314-G388 VanDerWaalsContact NE2-O 3.13Å
315Y98.2Very high95.3Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-75.8-44.7-177.5-168.2-122.7000112.7I280 F290 M294 L297 H298 L301 L307 G311 M313 L317 F318 L319 F332 W333I280-Y315 WeakPolarHBondContact CG2-OH 3.22Å; F290-Y315 HydrophobicContact CE2-CE2 4.34Å; M294-Y315 HydrophobicContact CB-CD2 4.35Å; M294-Y315 HydrophobicContact CB-CE2 4.34Å; M294-Y315 HydrophobicContact SD-CD2 3.99Å; L297-Y315 HydrophobicContact CB-CD2 3.89Å; L297-Y315 HydrophobicContact CB-CG 4.08Å; H298-Y315 HydrophobicContact CB-CE2 4.2Å; H298-Y315 AromaticContact ND1-CZ 3.67Å; H298-Y315 PolarHBondContact ND1-OH 2.99Å; L301-Y315 HydrophobicContact CD2-CD1 4.05Å; L301-Y315 HydrophobicContact CD2-CE1 3.83Å; L307-Y315 HydrophobicContact CD1-CD1 4.43Å; G311-Y315 VanDerWaalsContact O-CB 3.26Å; G311-Y315 WeakPolarHBondContact O-CB 3.42Å; G311-Y315 PolarHBondContact O-N 3.22Å; M313-Y315 PolarHBondContact O-N 3.17Å; Y315-L317 VanDerWaalsContact C-N 3.35Å; Y315-L317 PolarHBondContact O-N 3.2Å; Y315-F318 HydrophobicContact CD2-CD1 4.27Å; Y315-F318 HydrophobicContact CE2-CD1 4.15Å; Y315-F318 WeakPolarHBondContact O-CB 3.38Å; Y315-F318 PolarHBondContact O-N 3.39Å; Y315-L319 HydrophobicContact CD1-CD1 3.89Å; Y315-L319 HydrophobicContact CD1-CG 4.34Å; Y315-L319 HydrophobicContact CE1-CD1 3.46Å; Y315-L319 VanDerWaalsContact CE1-CD1 3.46Å; Y315-L319 HydrophobicContact CE1-CD2 4.41Å; Y315-L319 HydrophobicContact CE1-CG 4.01Å; Y315-L319 HydrophobicContact CE2-CD2 4.29Å; Y315-L319 HydrophobicContact CE2-CG 4.28Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 2.77Å; Y315-F332 AromaticContact CE1-CE1 3.94Å; Y315-F332 HydrophobicContact CE1-CE1 3.94Å; Y315-F332 AromaticContact CE1-CZ 3.89Å; Y315-F332 HydrophobicContact CE1-CZ 3.89Å; Y315-W333 AromaticContact CD1-CH2 3.85Å; Y315-W333 HydrophobicContact CD1-CH2 3.85Å; Y315-W333 HydrophobicContact CD1-CZ2 4.07Å
316G97Very high95.2Very high5 Ų524.2 Ų24.25%0.05212%0.121CC..Hα-helixtrans-63.3-39.6-178.900000112.7R312 L319 K320R312-G316 VanDerWaalsContact O-CA 3.31Å; R312-G316 WeakPolarHBondContact O-CA 3.46Å; R312-G316 PolarHBondContact O-N 3.41Å; G316-L319 PolarHBondContact O-N 3.47Å; G316-K320 PolarHBondContact O-N 3.43Å
317L95.7Very high95.2Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-73.2-33175.9-63.7172.1000112.3M313 Y315 K320 G321 N357 P369 Y370M313-L317 HydrophobicContact CE-CD1 3.99Å; M313-L317 VanDerWaalsContact O-CB 3.27Å; M313-L317 WeakPolarHBondContact O-CB 3.4Å; M313-L317 WeakPolarHBondContact O-CD1 3.13Å; M313-L317 WeakPolarHBondContact O-CG 3.27Å; M313-L317 PolarHBondContact O-N 2.9Å; M313-L317 VanDerWaalsContact O-N 3.08Å; Y315-L317 VanDerWaalsContact C-N 3.35Å; Y315-L317 PolarHBondContact O-N 3.2Å; L317-K320 HydrophobicContact CD2-CD 4.45Å; L317-K320 PolarHBondContact O-N 3.27Å; L317-G321 PolarHBondContact O-N 3.33Å; L317-N357 HydrophobicContact CD2-CB 3.94Å; L317-P369 WeakPolarHBondContact O-CG 3.44Å; L317-Y370 HydrophobicContact CD1-CD1 3.66Å; L317-Y370 HydrophobicContact CD1-CE1 3.25Å
318F97Very high95.2Very high2 Ų228.6 Ų28.61%0.00914%0.142CC..Hα-helixtrans-60.2-47.4168.9166.5-104.3000111.3F290 P291 M294 Q314 Y315 K320 G321 I322 P453 N454 F457F290-F318 HydrophobicContact CD1-CE1 4.22Å; F290-F318 HydrophobicContact CD1-CZ 4.13Å; F290-F318 AromaticContact CE1-CE1 3.98Å; F290-F318 HydrophobicContact CE1-CE1 3.98Å; F290-F318 HydrophobicContact CE1-CZ 4.15Å; F290-F318 HydrophobicContact CE2-CE1 4.35Å; F290-F318 HydrophobicContact CG-CE1 4.48Å; F290-F318 HydrophobicContact CZ-CE1 4.06Å; P291-F318 HydrophobicContact CG-CE2 4.42Å; M294-F318 HydrophobicContact CB-CD1 3.95Å; M294-F318 HydrophobicContact CB-CE1 3.87Å; M294-F318 HydrophobicContact CB-CG 4.43Å; M294-F318 HydrophobicContact CB-CZ 4.3Å; M294-F318 HydrophobicContact CE-CB 3.7Å; M294-F318 HydrophobicContact CE-CD2 4.38Å; M294-F318 HydrophobicContact CE-CG 4.08Å; M294-F318 HydrophobicContact CG-CB 4.2Å; M294-F318 HydrophobicContact CG-CD1 3.63Å; M294-F318 HydrophobicContact CG-CD2 3.88Å; M294-F318 HydrophobicContact CG-CE1 3.91Å; M294-F318 HydrophobicContact CG-CE2 4.14Å; M294-F318 HydrophobicContact CG-CG 3.62Å; M294-F318 HydrophobicContact CG-CZ 4.15Å; M294-F318 HydrophobicContact SD-CB 3.58Å; M294-F318 VanDerWaalsContact SD-CB 3.58Å; M294-F318 HydrophobicContact SD-CD1 3.89Å; M294-F318 HydrophobicContact SD-CD2 4.37Å; M294-F318 HydrophobicContact SD-CG 3.68Å; Q314-F318 WeakPolarHBondContact O-CB 3.42Å; Q314-F318 PolarHBondContact O-N 3.25Å; Y315-F318 HydrophobicContact CD2-CD1 4.27Å; Y315-F318 HydrophobicContact CE2-CD1 4.15Å; Y315-F318 WeakPolarHBondContact O-CB 3.38Å; Y315-F318 PolarHBondContact O-N 3.39Å; F318-K320 VanDerWaalsContact C-N 3.34Å; F318-K320 PolarHBondContact O-N 3.29Å; F318-G321 CarbonylContact O-C 3.59Å; F318-G321 WeakPolarHBondContact O-CA 3.19Å; F318-G321 PolarHBondContact O-N 3.07Å; F318-I322 HydrophobicContact CD2-CG2 4.28Å; F318-I322 HydrophobicContact CE1-CG2 4.23Å; F318-I322 HydrophobicContact CE2-CG2 3.75Å; F318-I322 HydrophobicContact CZ-CG2 3.72Å; F318-I322 PolarHBondContact O-N 3.42Å; F318-P453 HydrophobicContact CD2-CB 3.9Å; F318-P453 HydrophobicContact CE2-CB 4.28Å; F318-N454 WeakPolarHBondContact CD2-OD1 3.3Å; F318-N454 PolarHBondContact O-ND2 3.18Å; F318-F457 HydrophobicContact CE2-CB 4.1Å; F318-F457 HydrophobicContact CZ-CB 4.22Å; F318-F457 HydrophobicContact CZ-CD2 4.3Å; F318-F457 HydrophobicContact CZ-CG 4.34Å
319L96.6Very high95.2Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-60.6-42177.4-72.9-177.6000112.4I280 Y315 G316 G321 I322 L324 F332I280-L319 HydrophobicContact CD1-CD1 4.16Å; I280-L319 HydrophobicContact CD1-CD2 4.18Å; I280-L319 HydrophobicContact CG1-CD2 4.23Å; I280-L319 HydrophobicContact CG2-CD2 3.89Å; Y315-L319 HydrophobicContact CD1-CD1 3.89Å; Y315-L319 HydrophobicContact CD1-CG 4.34Å; Y315-L319 HydrophobicContact CE1-CD1 3.46Å; Y315-L319 VanDerWaalsContact CE1-CD1 3.46Å; Y315-L319 HydrophobicContact CE1-CD2 4.41Å; Y315-L319 HydrophobicContact CE1-CG 4.01Å; Y315-L319 HydrophobicContact CE2-CD2 4.29Å; Y315-L319 HydrophobicContact CE2-CG 4.28Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 2.77Å; G316-L319 PolarHBondContact O-N 3.47Å; L319-G321 VanDerWaalsContact C-N 3.32Å; L319-G321 PolarHBondContact O-N 3.44Å; L319-I322 HydrophobicContact CD2-CD1 3.77Å; L319-I322 HydrophobicContact CD2-CG1 4.47Å; L319-I322 WeakPolarHBondContact O-CG1 3.39Å; L319-I322 PolarHBondContact O-N 2.81Å; L319-L324 HydrophobicContact CB-CB 4.38Å; L319-L324 HydrophobicContact CB-CD2 3.91Å; L319-L324 HydrophobicContact CD1-CD2 4.11Å; L319-L324 WeakPolarHBondContact O-CB 3.24Å; L319-L324 PolarHBondContact O-N 3.25Å; L319-L324 VanDerWaalsContact O-N 3.07Å; L319-F332 HydrophobicContact CD1-CD1 3.85Å; L319-F332 HydrophobicContact CD1-CE1 3.51Å; L319-F332 HydrophobicContact CD1-CZ 4.08Å
320K93.7Very high95.3Very high29 Ų2918.6 Ų18.613%0.12610%0.101CC..Hα-helixtrans-57.1-47.1170.6176.4-175.5167.3-157.50111.1G316 L317 F318 I322 G323 N357 Y358 D366 Y367G316-K320 PolarHBondContact O-N 3.43Å; L317-K320 HydrophobicContact CD2-CD 4.45Å; L317-K320 PolarHBondContact O-N 3.27Å; F318-K320 VanDerWaalsContact C-N 3.34Å; F318-K320 PolarHBondContact O-N 3.29Å; K320-I322 VanDerWaalsContact C-N 3.31Å; K320-I322 PolarHBondContact O-N 3.08Å; K320-G323 WeakPolarHBondContact O-CA 3.48Å; K320-G323 PolarHBondContact O-N 3.3Å; K320-N357 PolarHBondContact NZ-O 3.25Å; K320-Y358 HydrophobicContact CB-CE1 4.09Å; K320-Y358 HydrophobicContact CB-CE2 4.46Å; K320-Y358 HydrophobicContact CD-CD1 4.01Å; K320-Y358 HydrophobicContact CD-CE1 3.97Å; K320-Y358 HydrophobicContact CD-CG 4.33Å; K320-Y358 HydrophobicContact CG-CD1 4.13Å; K320-Y358 HydrophobicContact CG-CE1 3.61Å; K320-D366 WeakPolarHBondContact CE-OD1 3.47Å; K320-D366 IonicContact NZ-OD1 3.57Å; K320-D366 PolarHBondContact NZ-OD1 3.38Å; K320-D366 IonicContact NZ-OD2 2.74Å; K320-D366 PolarHBondContact NZ-OD2 2.95Å; K320-Y367 PolarHBondContact NZ-O 3.49Å
321G92Very high95.4Very high8 Ų821.8 Ų21.88%0.08211%0.109CC..Hα-helixtrans-66.6-26.4-178.800000114.5L317 F318 L319 G323 N454L317-G321 PolarHBondContact O-N 3.33Å; F318-G321 CarbonylContact O-C 3.59Å; F318-G321 WeakPolarHBondContact O-CA 3.19Å; F318-G321 PolarHBondContact O-N 3.07Å; L319-G321 VanDerWaalsContact C-N 3.32Å; L319-G321 PolarHBondContact O-N 3.44Å; G321-G323 PolarHBondContact O-N 3.13Å; G321-N454 VanDerWaalsContact CA-ND2 3.33Å; G321-N454 WeakPolarHBondContact CA-ND2 3.26Å
322I93.6Very high95.4Very high3 Ų322.3 Ų22.32%0.01511%0.11CC..THydrogen-bonded Turntrans-81.34.7170.669.5170.2000112.1T272 V275 F283 F318 L319 K320 N454 F457T272-I322 PolarHBondContact OG1-O 3.13Å; V275-I322 WeakPolarHBondContact CG2-O 3.38Å; F283-I322 HydrophobicContact CD2-CD1 4.31Å; F318-I322 HydrophobicContact CD2-CG2 4.28Å; F318-I322 HydrophobicContact CE1-CG2 4.23Å; F318-I322 HydrophobicContact CE2-CG2 3.75Å; F318-I322 HydrophobicContact CZ-CG2 3.72Å; F318-I322 PolarHBondContact O-N 3.42Å; L319-I322 HydrophobicContact CD2-CD1 3.77Å; L319-I322 HydrophobicContact CD2-CG1 4.47Å; L319-I322 WeakPolarHBondContact O-CG1 3.39Å; L319-I322 PolarHBondContact O-N 2.81Å; K320-I322 VanDerWaalsContact C-N 3.31Å; K320-I322 PolarHBondContact O-N 3.08Å; I322-N454 VanDerWaalsContact CG2-ND2 3.34Å; I322-N454 WeakPolarHBondContact CG2-ND2 3.46Å; I322-N454 PolarHBondContact N-ND2 3.07Å; I322-F457 HydrophobicContact CB-CD1 4.11Å; I322-F457 HydrophobicContact CB-CE1 3.75Å; I322-F457 HydrophobicContact CB-CZ 4.3Å; I322-F457 HydrophobicContact CD1-CZ 4.44Å; I322-F457 HydrophobicContact CG2-CB 4.48Å; I322-F457 HydrophobicContact CG2-CD1 3.47Å; I322-F457 VanDerWaalsContact CG2-CD1 3.47Å; I322-F457 HydrophobicContact CG2-CD2 4.44Å; I322-F457 HydrophobicContact CG2-CE1 3.61Å; I322-F457 HydrophobicContact CG2-CG 3.9Å; I322-F457 HydrophobicContact CG2-CZ 4.2Å
323G92.5Very high95.4Very high7 Ų720.7 Ų20.77%0.07211%0.105CC..THydrogen-bonded Turntrans93.721.417500000116.3V275 K320 G321 P325V275-G323 PolarHBondContact N-O 2.94Å; K320-G323 WeakPolarHBondContact O-CA 3.48Å; K320-G323 PolarHBondContact O-N 3.3Å; G321-G323 PolarHBondContact O-N 3.13Å; G323-P325 VanDerWaalsContact O-CD 3.23Å; G323-P325 WeakPolarHBondContact O-CD 3.39Å
324L94.5Very high95.3Very high1 Ų123.7 Ų23.71%0.00512%0.115CC..  trans-74.9110.9169.3-171.869.3000110V275 I280 L319 E328 F332 Y358V275-L324 HydrophobicContact CG1-CD1 4.36Å; V275-L324 WeakPolarHBondContact O-CD1 3.43Å; I280-L324 HydrophobicContact CD1-CD1 3.84Å; I280-L324 HydrophobicContact CD1-CD2 3.59Å; I280-L324 HydrophobicContact CD1-CG 4.33Å; I280-L324 HydrophobicContact CG1-CD1 4.48Å; L319-L324 HydrophobicContact CB-CB 4.38Å; L319-L324 HydrophobicContact CB-CD2 3.91Å; L319-L324 HydrophobicContact CD1-CD2 4.11Å; L319-L324 WeakPolarHBondContact O-CB 3.24Å; L319-L324 PolarHBondContact O-N 3.25Å; L319-L324 VanDerWaalsContact O-N 3.07Å; L324-E328 HydrophobicContact CD1-CB 3.54Å; L324-E328 HydrophobicContact CG-CB 4.24Å; L324-F332 HydrophobicContact CD2-CB 4.48Å; L324-Y358 VanDerWaalsContact O-CE1 3.32Å; L324-Y358 WeakPolarHBondContact O-CE1 3.43Å; L324-Y358 PolarHBondContact O-OH 2.89Å
325P92.8Very high95.2Very high44 Ų4429.6 Ų29.629%0.28614%0.141SC..  trans-71.4163.1179.431.8-35.2000111.1L274 V275 G323 E327 E328 S329L274-P325 HydrophobicContact CD2-CB 4.37Å; L274-P325 HydrophobicContact CD2-CG 4.34Å; V275-P325 WeakPolarHBondContact O-CD 3.41Å; G323-P325 VanDerWaalsContact O-CD 3.23Å; G323-P325 WeakPolarHBondContact O-CD 3.39Å; P325-E327 PolarHBondContact O-N 2.98Å; P325-E328 HydrophobicContact CG-CB 3.88Å; P325-E328 HydrophobicContact CG-CG 3.7Å; P325-E328 PolarHBondContact O-N 3.01Å; P325-S329 WeakPolarHBondContact O-CB 3.05Å; P325-S329 PolarHBondContact O-N 3.5Å
326L93.1Very high95Very high22 Ų2230.4 Ų30.412%0.11515%0.146CC..Hα-helixtrans-52.6-48.2-175.417460.2000113.6E328 S329 L330 I354 R355 Y358 K360L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.27Å; L326-S329 VanDerWaalsContact O-CB 3.31Å; L326-S329 WeakPolarHBondContact O-CB 3.27Å; L326-S329 PolarHBondContact O-N 2.97Å; L326-S329 VanDerWaalsContact O-N 3.15Å; L326-L330 HydrophobicContact CD1-CD1 4.24Å; L326-L330 HydrophobicContact CD1-CG 4.17Å; L326-L330 HydrophobicContact CG-CD1 4.34Å; L326-L330 PolarHBondContact O-N 2.92Å; L326-I354 HydrophobicContact CD1-CG2 3.94Å; L326-R355 HydrophobicContact CD1-CG 4.07Å; L326-R355 HydrophobicContact CD2-CG 4.25Å; L326-Y358 HydrophobicContact CB-CD1 3.98Å; L326-Y358 HydrophobicContact CB-CD2 4.4Å; L326-Y358 HydrophobicContact CB-CE1 4.28Å; L326-Y358 HydrophobicContact CB-CG 4.03Å; L326-Y358 HydrophobicContact CD1-CD2 3.74Å; L326-Y358 HydrophobicContact CD1-CE2 4.2Å; L326-Y358 HydrophobicContact CD1-CG 4.05Å; L326-K360 HydrophobicContact CD2-CB 4.23Å; L326-K360 HydrophobicContact CD2-CG 3.64Å
327E94.7Very high94.9Very high121 Ų12130.3 Ų30.357%0.56514%0.144SC*.Hα-helixtrans-62-41.7-177.8-62.3-51.6133.900111.9P325 L330 K331P325-E327 PolarHBondContact O-N 2.98Å; E327-L330 PolarHBondContact O-N 3Å; E327-K331 WeakPolarHBondContact O-CG 2.93Å; E327-K331 PolarHBondContact O-N 2.95Å; E327-K331 VanDerWaalsContact O-N 3.08Å
328E96.6Very high94.8Very high34 Ų3433.9 Ų33.916%0.15917%0.169CC..Hα-helixtrans-71.2-33.9175.9-66-62.112500111.6A277 L324 P325 L326 K331 F332A277-E328 HydrophobicContact CB-CB 4.42Å; A277-E328 WeakPolarHBondContact CB-O 3.48Å; A277-E328 WeakPolarHBondContact CB-OE2 3.48Å; A277-E328 PolarHBondContact N-OE2 2.63Å; L324-E328 HydrophobicContact CD1-CB 3.54Å; L324-E328 HydrophobicContact CG-CB 4.24Å; P325-E328 HydrophobicContact CG-CB 3.88Å; P325-E328 HydrophobicContact CG-CG 3.7Å; P325-E328 PolarHBondContact O-N 3.01Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 3.27Å; E328-K331 PolarHBondContact O-N 2.96Å; E328-K331 IonicContact OE1-NZ 3.75Å; E328-K331 PolarHBondContact OE1-NZ 3.15Å; E328-F332 WeakPolarHBondContact O-CB 3.45Å; E328-F332 PolarHBondContact O-N 3.36Å
329S95.9Very high94.6Very high1 Ų137.6 Ų37.61%0.00719%0.193CC..Hα-helixtrans-61.6-45.7172.5-163.30000111.5P325 L326 K331 F332 W333 Y358P325-S329 WeakPolarHBondContact O-CB 3.05Å; P325-S329 PolarHBondContact O-N 3.5Å; L326-S329 VanDerWaalsContact O-CB 3.31Å; L326-S329 WeakPolarHBondContact O-CB 3.27Å; L326-S329 PolarHBondContact O-N 2.97Å; L326-S329 VanDerWaalsContact O-N 3.15Å; S329-K331 VanDerWaalsContact C-N 3.34Å; S329-K331 PolarHBondContact O-N 2.63Å; S329-F332 PolarHBondContact O-N 3.4Å; S329-W333 PolarHBondContact O-N 3.44Å; S329-Y358 VanDerWaalsContact CB-OH 3.28Å; S329-Y358 WeakPolarHBondContact CB-OH 3.32Å; S329-Y358 PolarHBondContact OG-OH 3.29Å
330L95.7Very high94.3Very high11 Ų1144.1 Ų44.16%0.05822%0.222CC..Hα-helixtrans-62-41.1175.3-72.1172.2000111.8L326 E327 R334 F346 A351 I354L326-L330 HydrophobicContact CD1-CD1 4.24Å; L326-L330 HydrophobicContact CD1-CG 4.17Å; L326-L330 HydrophobicContact CG-CD1 4.34Å; L326-L330 PolarHBondContact O-N 2.92Å; E327-L330 PolarHBondContact O-N 3Å; L330-R334 WeakPolarHBondContact O-CB 3.43Å; L330-R334 PolarHBondContact O-N 2.94Å; L330-F346 HydrophobicContact CD2-CE1 4.3Å; L330-F346 HydrophobicContact CD2-CZ 4.42Å; L330-A351 HydrophobicContact CD2-CB 4.03Å; L330-I354 HydrophobicContact CD2-CB 4.08Å; L330-I354 HydrophobicContact CD2-CD1 4.12Å; L330-I354 HydrophobicContact CD2-CG2 3.92Å; L330-I354 HydrophobicContact CG-CG2 4.32Å
331K95.9Very high94.1Very high115 Ų11543.4 Ų43.450%0.522%0.22SC..Hα-helixtrans-62-47173.9-70.9175-170171.40111.6A277 E327 E328 S329 K335A277-K331 HydrophobicContact CB-CB 4.19Å; E327-K331 WeakPolarHBondContact O-CG 2.93Å; E327-K331 PolarHBondContact O-N 2.95Å; E327-K331 VanDerWaalsContact O-N 3.08Å; E328-K331 PolarHBondContact O-N 2.96Å; E328-K331 IonicContact OE1-NZ 3.75Å; E328-K331 PolarHBondContact OE1-NZ 3.15Å; S329-K331 VanDerWaalsContact C-N 3.34Å; S329-K331 PolarHBondContact O-N 2.63Å; K331-K335 VanDerWaalsContact O-CB 3.28Å; K331-K335 WeakPolarHBondContact O-CB 3.19Å; K331-K335 PolarHBondContact O-N 3.47Å
332F97.2Very high94Very high11 Ų1147 Ų475%0.04824%0.237CC..Hα-helixtrans-58.3-56.6179.2171.6-102.4000111.7A277 I280 L301 Y315 L319 L324 E328 S329 R334 K335 V336A277-F332 HydrophobicContact CB-CB 3.92Å; I280-F332 HydrophobicContact CB-CD2 4.4Å; I280-F332 HydrophobicContact CB-CE2 4.18Å; I280-F332 HydrophobicContact CD1-CB 4.1Å; I280-F332 HydrophobicContact CD1-CD1 4.24Å; I280-F332 HydrophobicContact CD1-CD2 3.41Å; I280-F332 VanDerWaalsContact CD1-CD2 3.41Å; I280-F332 HydrophobicContact CD1-CE2 3.83Å; I280-F332 HydrophobicContact CD1-CG 3.64Å; I280-F332 HydrophobicContact CD1-CZ 4.41Å; I280-F332 HydrophobicContact CG1-CD2 4.5Å; I280-F332 HydrophobicContact CG2-CD2 4.47Å; I280-F332 HydrophobicContact CG2-CE2 3.83Å; I280-F332 HydrophobicContact CG2-CZ 4.19Å; L301-F332 HydrophobicContact CD2-CE1 3.97Å; L301-F332 HydrophobicContact CD2-CZ 3.82Å; Y315-F332 AromaticContact CE1-CE1 3.94Å; Y315-F332 HydrophobicContact CE1-CE1 3.94Å; Y315-F332 AromaticContact CE1-CZ 3.89Å; Y315-F332 HydrophobicContact CE1-CZ 3.89Å; L319-F332 HydrophobicContact CD1-CD1 3.85Å; L319-F332 HydrophobicContact CD1-CE1 3.51Å; L319-F332 HydrophobicContact CD1-CZ 4.08Å; L324-F332 HydrophobicContact CD2-CB 4.48Å; E328-F332 WeakPolarHBondContact O-CB 3.45Å; E328-F332 PolarHBondContact O-N 3.36Å; S329-F332 PolarHBondContact O-N 3.4Å; F332-R334 VanDerWaalsContact C-N 3.35Å; F332-R334 PolarHBondContact O-N 3.19Å; F332-K335 PolarHBondContact O-N 3.49Å; F332-V336 HydrophobicContact CD2-CG2 4.18Å; F332-V336 HydrophobicContact CE2-CG2 3.81Å; F332-V336 HydrophobicContact CZ-CG2 4.04Å; F332-V336 WeakPolarHBondContact O-CG2 3.29Å; F332-V336 PolarHBondContact O-N 3.19Å
333W97Very high93.7Very high6 Ų650.8 Ų50.82%0.02326%0.258CS..Hα-helixtrans-63.7-40.2-177-73.9110.2000112.2L301 L307 R312 Y315 S329 V336 F337 F346 I354L301-W333 HydrophobicContact CD1-CZ3 3.91Å; L301-W333 HydrophobicContact CD2-CE3 4.47Å; L301-W333 HydrophobicContact CD2-CH2 4.23Å; L301-W333 HydrophobicContact CD2-CZ3 3.83Å; L307-W333 HydrophobicContact CD1-CH2 4.07Å; L307-W333 HydrophobicContact CD1-CZ3 4.27Å; R312-W333 HydrophobicContact CB-CH2 4.38Å; R312-W333 HydrophobicContact CG-CH2 4.22Å; R312-W333 HydrophobicContact CG-CZ3 4.24Å; Y315-W333 AromaticContact CD1-CH2 3.85Å; Y315-W333 HydrophobicContact CD1-CH2 3.85Å; Y315-W333 HydrophobicContact CD1-CZ2 4.07Å; S329-W333 PolarHBondContact O-N 3.44Å; W333-V336 PolarHBondContact O-N 2.92Å; W333-F337 AromaticContact CE3-CE1 3.92Å; W333-F337 HydrophobicContact CE3-CE1 3.92Å; W333-F337 HydrophobicContact CE3-CE2 4.07Å; W333-F337 AromaticContact CE3-CZ 3.61Å; W333-F337 HydrophobicContact CE3-CZ 3.61Å; W333-F337 AromaticContact CZ3-CE1 3.98Å; W333-F337 HydrophobicContact CZ3-CE1 3.98Å; W333-F337 AromaticContact CZ3-CZ 3.71Å; W333-F337 HydrophobicContact CZ3-CZ 3.71Å; W333-F337 WeakPolarHBondContact O-CB 3.22Å; W333-F337 WeakPolarHBondContact O-CG 3.2Å; W333-F337 PolarHBondContact O-N 3.37Å; W333-F346 HydrophobicContact CB-CE2 3.72Å; W333-F346 HydrophobicContact CB-CZ 3.83Å; W333-I354 HydrophobicContact CB-CD1 3.67Å; W333-I354 HydrophobicContact CG-CD1 3.67Å; W333-I354 HydrophobicContact CG-CG1 4.49Å
334R94.5Very high93.6Very high71 Ų7155.6 Ų55.627%0.26828%0.282SS..Hα-helixtrans-60.1-46.1175-173.9-165.3-53.1-91.51.6111.5L330 F332 S338 N343 F346 H347L330-R334 WeakPolarHBondContact O-CB 3.43Å; L330-R334 PolarHBondContact O-N 2.94Å; F332-R334 VanDerWaalsContact C-N 3.35Å; F332-R334 PolarHBondContact O-N 3.19Å; R334-S338 WeakPolarHBondContact O-CB 3.48Å; R334-S338 PolarHBondContact O-N 3.32Å; R334-N343 PolarHBondContact NH1-ND2 3.19Å; R334-N343 PolarHBondContact NH1-OD1 3.39Å; R334-F346 HydrophobicContact CB-CD1 4.13Å; R334-F346 HydrophobicContact CB-CE1 3.9Å; R334-F346 HydrophobicContact CB-CE2 4.38Å; R334-F346 HydrophobicContact CB-CG 4.47Å; R334-F346 HydrophobicContact CB-CZ 4.03Å; R334-F346 HydrophobicContact CG-CD1 4.23Å; R334-F346 HydrophobicContact CG-CE1 4.45Å; R334-H347 PolarHBondContact NH1-NE2 2.72Å; R334-H347 PolarHBondContact NH2-CE1 3.46Å; R334-H347 VanDerWaalsContact NH2-CE1 3.26Å; R334-H347 PolarHBondContact NH2-NE2 3.31Å
335K94.8Very high93.4Very high131 Ų13160.4 Ų60.457%0.5730%0.304SS*.Hα-helixtrans-60.5-47.9179.7-175.7-179.8-174.9-179.60111D278 K331 F332 S338D278-K335 IonicContact OD1-NZ 2.8Å; D278-K335 PolarHBondContact OD1-NZ 3.04Å; K331-K335 VanDerWaalsContact O-CB 3.28Å; K331-K335 WeakPolarHBondContact O-CB 3.19Å; K331-K335 PolarHBondContact O-N 3.47Å; F332-K335 PolarHBondContact O-N 3.49Å; K335-S338 PolarHBondContact O-N 2.94Å; K335-S338 PolarHBondContact O-OG 3.37Å
336V94.4Very high93.4Very high17 Ų1758.3 Ų58.310%0.10329%0.291CS..Hα-helixtrans-75.1-30.2-174.3-173.90000113.1L301 H305 F332 W333 P339L301-V336 HydrophobicContact CD1-CG1 3.71Å; L301-V336 HydrophobicContact CD2-CG1 4.12Å; L301-V336 HydrophobicContact CG-CB 4.49Å; L301-V336 HydrophobicContact CG-CG1 3.55Å; H305-V336 WeakPolarHBondContact CB-O 3.29Å; H305-V336 PolarHBondContact ND1-O 2.94Å; H305-V336 VanDerWaalsContact ND1-O 3.07Å; F332-V336 HydrophobicContact CD2-CG2 4.18Å; F332-V336 HydrophobicContact CE2-CG2 3.81Å; F332-V336 HydrophobicContact CZ-CG2 4.04Å; F332-V336 WeakPolarHBondContact O-CG2 3.29Å; F332-V336 PolarHBondContact O-N 3.19Å; W333-V336 PolarHBondContact O-N 2.92Å; V336-P339 WeakPolarHBondContact O-CD 3.37Å
337F95.2Very high93.3Very high3 Ų360.5 Ų60.51%0.01330%0.3CS..Hα-helixtrans-85-13.6176.1-71.3-5.7000114.3L301 H305 R312 W333 P339 K340 C341 F346 Y350L301-F337 HydrophobicContact CD1-CD1 4.01Å; L301-F337 HydrophobicContact CD1-CE1 3.4Å; L301-F337 HydrophobicContact CD1-CZ 4.39Å; H305-F337 VanDerWaalsContact O-CD1 3.23Å; H305-F337 WeakPolarHBondContact O-CD1 3.29Å; R312-F337 HydrophobicContact CG-CZ 4.45Å; W333-F337 AromaticContact CE3-CE1 3.92Å; W333-F337 HydrophobicContact CE3-CE1 3.92Å; W333-F337 HydrophobicContact CE3-CE2 4.07Å; W333-F337 AromaticContact CE3-CZ 3.61Å; W333-F337 HydrophobicContact CE3-CZ 3.61Å; W333-F337 AromaticContact CZ3-CE1 3.98Å; W333-F337 HydrophobicContact CZ3-CE1 3.98Å; W333-F337 AromaticContact CZ3-CZ 3.71Å; W333-F337 HydrophobicContact CZ3-CZ 3.71Å; W333-F337 WeakPolarHBondContact O-CB 3.22Å; W333-F337 WeakPolarHBondContact O-CG 3.2Å; W333-F337 PolarHBondContact O-N 3.37Å; F337-P339 VanDerWaalsContact C-N 3.25Å; F337-P339 WeakPolarHBondContact O-CD 3.49Å; F337-K340 PolarHBondContact O-N 3.43Å; F337-C341 HydrophobicContact CB-CB 4.15Å; F337-C341 WeakPolarHBondContact O-CB 3.48Å; F337-C341 PolarHBondContact O-N 3.01Å; F337-F346 HydrophobicContact CD2-CD2 4.14Å; F337-F346 HydrophobicContact CD2-CE2 4.22Å; F337-Y350 AromaticContact CD2-CD2 3.78Å; F337-Y350 HydrophobicContact CD2-CD2 3.78Å; F337-Y350 AromaticContact CD2-CE2 3.89Å; F337-Y350 HydrophobicContact CD2-CE2 3.89Å; F337-Y350 HydrophobicContact CD2-CG 4.17Å; F337-Y350 AromaticContact CE2-CD1 3.97Å; F337-Y350 HydrophobicContact CE2-CD1 3.97Å; F337-Y350 AromaticContact CE2-CD2 3.95Å; F337-Y350 HydrophobicContact CE2-CD2 3.95Å; F337-Y350 HydrophobicContact CE2-CE1 4.05Å; F337-Y350 HydrophobicContact CE2-CE2 4.05Å; F337-Y350 AromaticContact CE2-CG 3.91Å; F337-Y350 HydrophobicContact CE2-CG 3.91Å
338S93.2Very high93.1Very high74 Ų7463.4 Ų63.452%0.51731%0.311SS..THydrogen-bonded Turntrans-49.4-32.8-176.764.40000116R334 K335 K340 C341R334-S338 WeakPolarHBondContact O-CB 3.48Å; R334-S338 PolarHBondContact O-N 3.32Å; K335-S338 PolarHBondContact O-N 2.94Å; K335-S338 PolarHBondContact O-OG 3.37Å; S338-K340 PolarHBondContact O-N 2.98Å; S338-C341 WeakPolarHBondContact CA-O 3.3Å
339P92.6Very high92.7Very high81 Ų8164.6 Ų64.653%0.52633%0.327SS..THydrogen-bonded Turntrans-70.2-16.9177.9-23.739.1000114.8H305 V336 F337H305-P339 HydrophobicContact CB-CB 4.37Å; H305-P339 HydrophobicContact CB-CG 4.39Å; V336-P339 WeakPolarHBondContact O-CD 3.37Å; F337-P339 VanDerWaalsContact C-N 3.25Å; F337-P339 WeakPolarHBondContact O-CD 3.49Å
340K90.9Very high92.6Very high137 Ų13766.5 Ų66.560%0.59633%0.334SS*.THydrogen-bonded Turntrans-121.3-14.4-178.6-76.1-170.4172.3176.30114.3H304 H305 F337 S338H304-K340 WeakPolarHBondContact O-CD 2.88Å; H304-K340 VanDerWaalsContact O-CE 3.23Å; H304-K340 WeakPolarHBondContact O-CE 3.48Å; H304-K340 PolarHBondContact O-NZ 3.14Å; H305-K340 HydrophobicContact CB-CD 4.29Å; H305-K340 HydrophobicContact CB-CG 4.27Å; F337-K340 PolarHBondContact O-N 3.43Å; S338-K340 PolarHBondContact O-N 2.98Å
341C88Confident92.4Very high13 Ų1366 Ų669%0.08833%0.331CS..  trans-139.4119.4-170.9-176.30000108.2F337 S338 Q345 F346F337-C341 HydrophobicContact CB-CB 4.15Å; F337-C341 WeakPolarHBondContact O-CB 3.48Å; F337-C341 PolarHBondContact O-N 3.01Å; S338-C341 WeakPolarHBondContact CA-O 3.3Å; C341-Q345 VanDerWaalsContact SG-C 3.59Å; C341-Q345 WeakPolarHBondContact SG-CB 3.46Å; C341-F346 VanDerWaalsContact SG-CA 3.51Å; C341-F346 PolarHBondContact SG-N 2.93Å
342D90.6Very high92.2Very high83 Ų8366.2 Ų66.244%0.44433%0.33SS..  trans-68.5175.5171.167.528.9000111.1D344 Q345 F346D342-D344 PolarHBondContact O-N 3.23Å; D342-D344 PolarHBondContact OD1-N 3.39Å; D342-Q345 WeakPolarHBondContact OD1-CB 3.12Å; D342-Q345 WeakPolarHBondContact OD1-CG 3.4Å; D342-Q345 PolarHBondContact OD1-N 3.37Å; D342-Q345 PolarHBondContact OD2-NE2 3.13Å; D342-F346 VanDerWaalsContact O-CB 3.31Å; D342-F346 WeakPolarHBondContact O-CB 3.5Å; D342-F346 PolarHBondContact O-N 3.08Å
343N88.4Confident91.9Very high84 Ų8467.4 Ų67.445%0.44934%0.337SS..Hα-helixtrans-63.5-40.7-175.8-160.8-61.8000112.4R334 F346 H347R334-N343 PolarHBondContact NH1-ND2 3.19Å; R334-N343 PolarHBondContact NH1-OD1 3.39Å; N343-F346 WeakPolarHBondContact O-CB 3.23Å; N343-F346 PolarHBondContact O-N 3.38Å; N343-H347 PolarHBondContact O-CD2 2.87Å; N343-H347 PolarHBondContact O-N 3.34Å; N343-H347 PolarHBondContact OD1-CD2 3.41Å; N343-H347 PolarHBondContact OD1-NE2 2.95Å
344D89.8Confident91.7Very high107 Ų10767.7 Ų67.757%0.57234%0.339SS*.Hα-helixtrans-74-42.5-175.7-70.9-21.1000111.8D342 F346 H347 K348D342-D344 PolarHBondContact O-N 3.23Å; D342-D344 PolarHBondContact OD1-N 3.39Å; D344-F346 VanDerWaalsContact C-N 3.26Å; D344-F346 PolarHBondContact O-N 3.11Å; D344-H347 PolarHBondContact O-N 2.96Å; D344-K348 WeakPolarHBondContact O-CG 3.46Å; D344-K348 PolarHBondContact O-N 2.88Å
345Q90.4Very high91.6Very high102 Ų10267.8 Ų67.848%0.47734%0.339SS..Hα-helixtrans-60.1-39.9171.4-70173.944.500110.4C341 D342 H347 K348 A349C341-Q345 VanDerWaalsContact SG-C 3.59Å; C341-Q345 WeakPolarHBondContact SG-CB 3.46Å; D342-Q345 WeakPolarHBondContact OD1-CB 3.12Å; D342-Q345 WeakPolarHBondContact OD1-CG 3.4Å; D342-Q345 PolarHBondContact OD1-N 3.37Å; D342-Q345 PolarHBondContact OD2-NE2 3.13Å; Q345-H347 PolarHBondContact O-N 3.35Å; Q345-K348 PolarHBondContact O-N 2.97Å; Q345-A349 VanDerWaalsContact O-CB 3.26Å; Q345-A349 WeakPolarHBondContact O-CB 3.44Å; Q345-A349 PolarHBondContact O-N 3.15Å
346F93.3Very high91.3Very high1 Ų163.4 Ų63.40%0.00432%0.32CS..Hα-helixtrans-62.4-45.5178.1175.1-96.8000111.4L330 W333 R334 F337 C341 D342 N343 D344 Y350 A351 I354L330-F346 HydrophobicContact CD2-CE1 4.3Å; L330-F346 HydrophobicContact CD2-CZ 4.42Å; W333-F346 HydrophobicContact CB-CE2 3.72Å; W333-F346 HydrophobicContact CB-CZ 3.83Å; R334-F346 HydrophobicContact CB-CD1 4.13Å; R334-F346 HydrophobicContact CB-CE1 3.9Å; R334-F346 HydrophobicContact CB-CE2 4.38Å; R334-F346 HydrophobicContact CB-CG 4.47Å; R334-F346 HydrophobicContact CB-CZ 4.03Å; R334-F346 HydrophobicContact CG-CD1 4.23Å; R334-F346 HydrophobicContact CG-CE1 4.45Å; F337-F346 HydrophobicContact CD2-CD2 4.14Å; F337-F346 HydrophobicContact CD2-CE2 4.22Å; C341-F346 VanDerWaalsContact SG-CA 3.51Å; C341-F346 PolarHBondContact SG-N 2.93Å; D342-F346 VanDerWaalsContact O-CB 3.31Å; D342-F346 WeakPolarHBondContact O-CB 3.5Å; D342-F346 PolarHBondContact O-N 3.08Å; N343-F346 WeakPolarHBondContact O-CB 3.23Å; N343-F346 PolarHBondContact O-N 3.38Å; D344-F346 VanDerWaalsContact C-N 3.26Å; D344-F346 PolarHBondContact O-N 3.11Å; F346-Y350 AromaticContact CD2-CD2 3.95Å; F346-Y350 HydrophobicContact CD2-CD2 3.95Å; F346-Y350 HydrophobicContact CD2-CG 4.41Å; F346-Y350 PolarHBondContact O-N 3.19Å; F346-A351 HydrophobicContact CD1-CB 4.48Å; F346-A351 HydrophobicContact CE1-CB 4.16Å; F346-A351 PolarHBondContact O-N 3.03Å; F346-I354 HydrophobicContact CE2-CD1 4.16Å; F346-I354 HydrophobicContact CZ-CD1 3.75Å
347H90.3Very high91.1Very high68 Ų6863 Ų6332%0.31532%0.318SS..Iπ-helixtrans-62.9-41.9177.8-85.1-65.1000113R334 N343 D344 Q345R334-H347 PolarHBondContact NH1-NE2 2.72Å; R334-H347 PolarHBondContact NH2-CE1 3.46Å; R334-H347 VanDerWaalsContact NH2-CE1 3.26Å; R334-H347 PolarHBondContact NH2-NE2 3.31Å; N343-H347 PolarHBondContact O-CD2 2.87Å; N343-H347 PolarHBondContact O-N 3.34Å; N343-H347 PolarHBondContact OD1-CD2 3.41Å; N343-H347 PolarHBondContact OD1-NE2 2.95Å; D344-H347 PolarHBondContact O-N 2.96Å; Q345-H347 PolarHBondContact O-N 3.35Å
348K89.9Confident90.9Very high181 Ų18164.3 Ų64.379%0.78732%0.323SS*.Iπ-helixtrans-72.1-43.1180-70.3174-176.7174.20112.8D344 Q345D344-K348 WeakPolarHBondContact O-CG 3.46Å; D344-K348 PolarHBondContact O-N 2.88Å; Q345-K348 PolarHBondContact O-N 2.97Å
349A89.1Confident90.6Very high60 Ų6061.3 Ų61.350%0.49630%0.303SS..Iπ-helixtrans-93.1-32.5-17000000114.3Q345Q345-A349 VanDerWaalsContact O-CB 3.26Å; Q345-A349 WeakPolarHBondContact O-CB 3.44Å; Q345-A349 PolarHBondContact O-N 3.15Å
350Y93.5Very high90.1Very high40 Ų4064.3 Ų64.316%0.15731%0.308CS..Iπ-helixtrans-124.1-38.8-167-56-65.6000114.4H306 F337 F346 Y352 N353 I354H306-Y350 PolarHBondContact CD2-OH 3.02Å; H306-Y350 PolarHBondContact NE2-OH 3.04Å; F337-Y350 AromaticContact CD2-CD2 3.78Å; F337-Y350 HydrophobicContact CD2-CD2 3.78Å; F337-Y350 AromaticContact CD2-CE2 3.89Å; F337-Y350 HydrophobicContact CD2-CE2 3.89Å; F337-Y350 HydrophobicContact CD2-CG 4.17Å; F337-Y350 AromaticContact CE2-CD1 3.97Å; F337-Y350 HydrophobicContact CE2-CD1 3.97Å; F337-Y350 AromaticContact CE2-CD2 3.95Å; F337-Y350 HydrophobicContact CE2-CD2 3.95Å; F337-Y350 HydrophobicContact CE2-CE1 4.05Å; F337-Y350 HydrophobicContact CE2-CE2 4.05Å; F337-Y350 AromaticContact CE2-CG 3.91Å; F337-Y350 HydrophobicContact CE2-CG 3.91Å; F346-Y350 AromaticContact CD2-CD2 3.95Å; F346-Y350 HydrophobicContact CD2-CD2 3.95Å; F346-Y350 HydrophobicContact CD2-CG 4.41Å; F346-Y350 PolarHBondContact O-N 3.19Å; Y350-Y352 VanDerWaalsContact C-N 3.28Å; Y350-Y352 PolarHBondContact O-N 3.21Å; Y350-N353 PolarHBondContact O-N 2.97Å; Y350-N353 VanDerWaalsContact O-N 3.1Å; Y350-I354 WeakPolarHBondContact O-CG1 3.23Å; Y350-I354 PolarHBondContact O-N 2.99Å
351A91.6Very high89.5Confident0 Ų060.6 Ų60.60%029%0.293CS..Iπ-helixtrans-58.7-39-174.200000112.8L330 F346 I354 R355L330-A351 HydrophobicContact CD2-CB 4.03Å; F346-A351 HydrophobicContact CD1-CB 4.48Å; F346-A351 HydrophobicContact CE1-CB 4.16Å; F346-A351 PolarHBondContact O-N 3.03Å; A351-I354 PolarHBondContact O-N 3Å; A351-R355 WeakPolarHBondContact O-CG 3.47Å; A351-R355 PolarHBondContact O-N 3.44Å
352Y90.8Very high88.7Confident121 Ų12162.6 Ų62.648%0.47532%0.316SS..Hα-helixtrans-58.5-49.4175.3177.9-96.1000112.2Y350 I354 R355 H356 E361Y350-Y352 VanDerWaalsContact C-N 3.28Å; Y350-Y352 PolarHBondContact O-N 3.21Å; Y352-I354 VanDerWaalsContact C-N 3.3Å; Y352-I354 PolarHBondContact O-N 3.38Å; Y352-R355 PolarHBondContact O-N 2.87Å; Y352-H356 WeakPolarHBondContact O-CB 3.42Å; Y352-H356 PolarHBondContact O-N 3.36Å; Y352-E361 HydrophobicContact CD2-CG 4.25Å; Y352-E361 HydrophobicContact CE2-CB 4.02Å; Y352-E361 HydrophobicContact CE2-CG 4.19Å
353N90.8Very high87.7Confident36 Ų3668.3 Ų68.319%0.19334%0.337CS..Hα-helixtrans-63-38.1179.6-178.4-94.8000111.8Y350 H356 N357Y350-N353 PolarHBondContact O-N 2.97Å; Y350-N353 VanDerWaalsContact O-N 3.1Å; N353-H356 PolarHBondContact O-N 3.26Å; N353-N357 VanDerWaalsContact O-CG 3.25Å; N353-N357 PolarHBondContact O-N 3.36Å; N353-N357 PolarHBondContact O-ND2 2.99Å; N353-N357 PolarHBondContact O-OD1 3.25Å
354I93.2Very high87.1Confident12 Ų1273.8 Ų73.86%0.06235%0.351CS..Hα-helixtrans-62.5-50.9175.3-63.4164000109.9L326 L330 W333 F346 Y350 A351 Y352 H356 N357 Y358L326-I354 HydrophobicContact CD1-CG2 3.94Å; L330-I354 HydrophobicContact CD2-CB 4.08Å; L330-I354 HydrophobicContact CD2-CD1 4.12Å; L330-I354 HydrophobicContact CD2-CG2 3.92Å; L330-I354 HydrophobicContact CG-CG2 4.32Å; W333-I354 HydrophobicContact CB-CD1 3.67Å; W333-I354 HydrophobicContact CG-CD1 3.67Å; W333-I354 HydrophobicContact CG-CG1 4.49Å; F346-I354 HydrophobicContact CE2-CD1 4.16Å; F346-I354 HydrophobicContact CZ-CD1 3.75Å; Y350-I354 WeakPolarHBondContact O-CG1 3.23Å; Y350-I354 PolarHBondContact O-N 2.99Å; A351-I354 PolarHBondContact O-N 3Å; Y352-I354 VanDerWaalsContact C-N 3.3Å; Y352-I354 PolarHBondContact O-N 3.38Å; I354-H356 VanDerWaalsContact C-N 3.28Å; I354-H356 PolarHBondContact O-N 3.49Å; I354-N357 WeakPolarHBondContact O-CB 3.26Å; I354-N357 PolarHBondContact O-N 3.04Å; I354-N357 VanDerWaalsContact O-N 3.12Å; I354-Y358 HydrophobicContact CG2-CD2 4.5Å; I354-Y358 HydrophobicContact CG2-CE2 4.26Å; I354-Y358 VanDerWaalsContact O-CD2 3.3Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.78Å
355R92.6Very high86.4Confident73 Ų7371 Ų7128%0.27534%0.343SS..Hα-helixtrans-61.9-36.2178.4-66.3-177.5-163.8126.61.4113.1L326 A351 Y352 N357 Y358 G359 K360 E361L326-R355 HydrophobicContact CD1-CG 4.07Å; L326-R355 HydrophobicContact CD2-CG 4.25Å; A351-R355 WeakPolarHBondContact O-CG 3.47Å; A351-R355 PolarHBondContact O-N 3.44Å; Y352-R355 PolarHBondContact O-N 2.87Å; R355-N357 VanDerWaalsContact C-N 3.32Å; R355-N357 PolarHBondContact O-N 2.95Å; R355-Y358 PolarHBondContact O-N 2.91Å; R355-G359 PolarHBondContact O-N 3.13Å; R355-K360 HydrophobicContact CB-CB 4.41Å; R355-K360 PolarHBondContact O-N 3.33Å; R355-E361 HydrophobicContact CB-CG 3.47Å; R355-E361 VanDerWaalsContact CB-CG 3.47Å; R355-E361 WeakPolarHBondContact CD-OE1 3.34Å; R355-E361 IonicContact NH1-OE1 2.86Å
356H89.2Confident85.8Confident39 Ų3969.7 Ų69.718%0.18134%0.339CS..Hα-helixtrans-61.3-39.8175-172-105.7000111.9Y352 N353 I354 Y358 G359 E361 Y367Y352-H356 WeakPolarHBondContact O-CB 3.42Å; Y352-H356 PolarHBondContact O-N 3.36Å; N353-H356 PolarHBondContact O-N 3.26Å; I354-H356 VanDerWaalsContact C-N 3.28Å; I354-H356 PolarHBondContact O-N 3.49Å; H356-Y358 PolarHBondContact O-N 3.37Å; H356-G359 PolarHBondContact O-N 3.2Å; H356-E361 HydrophobicContact CB-CB 4.32Å; H356-Y367 AromaticContact CE1-CE2 3.33Å; H356-Y367 WeakPolarHBondContact CE1-CE2 3.49Å; H356-Y367 AromaticContact CE1-CZ 3.7Å; H356-Y367 PolarHBondContact CE1-OH 3.49Å; H356-Y367 VanDerWaalsContact CE1-OH 3.27Å; H356-Y367 AromaticContact ND1-CE2 3.39Å; H356-Y367 WeakPolarHBondContact ND1-CE2 3.26Å; H356-Y367 AromaticContact ND1-CZ 3.96Å
357N90.2Very high85.5Confident8 Ų873.5 Ų73.54%0.04335%0.354CS..Hα-helixtrans-63-25.1176.3-69-18000113.8M313 L317 K320 N353 I354 R355 Y367M313-N357 VanDerWaalsContact CE-OD1 3.28Å; M313-N357 WeakPolarHBondContact CE-OD1 3.18Å; L317-N357 HydrophobicContact CD2-CB 3.94Å; K320-N357 PolarHBondContact NZ-O 3.25Å; N353-N357 VanDerWaalsContact O-CG 3.25Å; N353-N357 PolarHBondContact O-N 3.36Å; N353-N357 PolarHBondContact O-ND2 2.99Å; N353-N357 PolarHBondContact O-OD1 3.25Å; I354-N357 WeakPolarHBondContact O-CB 3.26Å; I354-N357 PolarHBondContact O-N 3.04Å; I354-N357 VanDerWaalsContact O-N 3.12Å; R355-N357 VanDerWaalsContact C-N 3.32Å; R355-N357 PolarHBondContact O-N 2.95Å; N357-Y367 PolarHBondContact O-N 2.8Å
358Y91.2Very high85.5Confident30 Ų3073.2 Ų73.212%0.11836%0.357CS..BIsolated β-bridgetrans-95.911.5175.7-72.4-101.9000113K320 L324 L326 S329 I354 R355 H356 K360 D366K320-Y358 HydrophobicContact CB-CE1 4.09Å; K320-Y358 HydrophobicContact CB-CE2 4.46Å; K320-Y358 HydrophobicContact CD-CD1 4.01Å; K320-Y358 HydrophobicContact CD-CE1 3.97Å; K320-Y358 HydrophobicContact CD-CG 4.33Å; K320-Y358 HydrophobicContact CG-CD1 4.13Å; K320-Y358 HydrophobicContact CG-CE1 3.61Å; L324-Y358 VanDerWaalsContact O-CE1 3.32Å; L324-Y358 WeakPolarHBondContact O-CE1 3.43Å; L324-Y358 PolarHBondContact O-OH 2.89Å; L326-Y358 HydrophobicContact CB-CD1 3.98Å; L326-Y358 HydrophobicContact CB-CD2 4.4Å; L326-Y358 HydrophobicContact CB-CE1 4.28Å; L326-Y358 HydrophobicContact CB-CG 4.03Å; L326-Y358 HydrophobicContact CD1-CD2 3.74Å; L326-Y358 HydrophobicContact CD1-CE2 4.2Å; L326-Y358 HydrophobicContact CD1-CG 4.05Å; S329-Y358 VanDerWaalsContact CB-OH 3.28Å; S329-Y358 WeakPolarHBondContact CB-OH 3.32Å; S329-Y358 PolarHBondContact OG-OH 3.29Å; I354-Y358 HydrophobicContact CG2-CD2 4.5Å; I354-Y358 HydrophobicContact CG2-CE2 4.26Å; I354-Y358 VanDerWaalsContact O-CD2 3.3Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.78Å; R355-Y358 PolarHBondContact O-N 2.91Å; H356-Y358 PolarHBondContact O-N 3.37Å; Y358-K360 PolarHBondContact O-N 3.43Å; Y358-D366 VanDerWaalsContact C-OD1 3.27Å; Y358-D366 WeakPolarHBondContact CA-OD1 3.17Å
359G86.1Confident85.6Confident11 Ų1165 Ų6511%0.11332%0.322CS..THydrogen-bonded Turntrans65.818.4179.400000114.8R355 H356 R364R355-G359 PolarHBondContact O-N 3.13Å; H356-G359 PolarHBondContact O-N 3.2Å; G359-R364 VanDerWaalsContact O-CA 3.31Å; G359-R364 WeakPolarHBondContact O-CA 3.4Å; G359-R364 WeakPolarHBondContact O-CB 3.44Å
360K82Confident85.9Confident145 Ų14563.7 Ų63.763%0.6331%0.305SS*.  trans-87.5-6.5178.5-63.5-57.5-174.7179.70114L326 R355 Y358L326-K360 HydrophobicContact CD2-CB 4.23Å; L326-K360 HydrophobicContact CD2-CG 3.64Å; R355-K360 HydrophobicContact CB-CB 4.41Å; R355-K360 PolarHBondContact O-N 3.33Å; Y358-K360 PolarHBondContact O-N 3.43Å
361E77.9Confident85.8Confident59 Ų5962.7 Ų62.728%0.27630%0.304SS..SBendtrans-131.3159-177.9-63.8-74.5-178.300111.1Y352 R355 H356 R364Y352-E361 HydrophobicContact CD2-CG 4.25Å; Y352-E361 HydrophobicContact CE2-CB 4.02Å; Y352-E361 HydrophobicContact CE2-CG 4.19Å; R355-E361 HydrophobicContact CB-CG 3.47Å; R355-E361 VanDerWaalsContact CB-CG 3.47Å; R355-E361 WeakPolarHBondContact CD-OE1 3.34Å; R355-E361 IonicContact NH1-OE1 2.86Å; H356-E361 HydrophobicContact CB-CB 4.32Å; E361-R364 PolarHBondContact O-N 3.44Å
362G71.2Confident85.8Confident55 Ų5564.3 Ų64.357%0.56731%0.314SS*.THydrogen-bonded Turntrans61.6-133172.700000113.8R364G362-R364 PolarHBondContact O-N 2.93Å
363K71.3Confident85.8Confident202 Ų20260.8 Ų60.888%0.87830%0.303SS*.THydrogen-bonded Turntrans-65.50.1178.4-68.7-172.8178.5-176.70114A365K363-A365 PolarHBondContact O-N 2.99Å
364R75.7Confident85.7Confident199 Ų19964.5 Ų64.575%0.75132%0.315SS*.  trans55.229.9-175.2-58.8-178.2175.7172.1-1.1113.4G359 E361 G362 D366G359-R364 VanDerWaalsContact O-CA 3.31Å; G359-R364 WeakPolarHBondContact O-CA 3.4Å; G359-R364 WeakPolarHBondContact O-CB 3.44Å; E361-R364 PolarHBondContact O-N 3.44Å; G362-R364 PolarHBondContact O-N 2.93Å; R364-D366 PolarHBondContact O-N 3.26Å
365A73.2Confident85.8Confident48 Ų4864.3 Ų64.340%0.39731%0.314SS..  trans-74115.7174.900000108.9K363 Y367K363-A365 PolarHBondContact O-N 2.99Å; A365-Y367 WeakPolarHBondContact O-CD2 3Å; A365-Y367 PolarHBondContact O-N 2.91Å
366D79.4Confident85.9Confident76 Ų7662.1 Ų62.141%0.40631%0.308SS..BIsolated β-bridgetrans-78.9109.6178.2-167.139.4000110.2K320 Y358 R364 T368K320-D366 WeakPolarHBondContact CE-OD1 3.47Å; K320-D366 IonicContact NZ-OD1 3.57Å; K320-D366 PolarHBondContact NZ-OD1 3.38Å; K320-D366 IonicContact NZ-OD2 2.74Å; K320-D366 PolarHBondContact NZ-OD2 2.95Å; Y358-D366 VanDerWaalsContact C-OD1 3.27Å; Y358-D366 WeakPolarHBondContact CA-OD1 3.17Å; R364-D366 PolarHBondContact O-N 3.26Å; D366-T368 PolarHBondContact O-N 3.39Å
367Y87.3Confident85.9Confident80 Ų8064.1 Ų64.131%0.31433%0.327SS..PPolyproline II helixtrans-71.8130.6-173.6-81.9-99.7000110.9M313 K320 H356 N357 A365M313-Y367 HydrophobicContact CE-CD1 4.24Å; M313-Y367 HydrophobicContact CE-CE1 4.5Å; K320-Y367 PolarHBondContact NZ-O 3.49Å; H356-Y367 AromaticContact CE1-CE2 3.33Å; H356-Y367 WeakPolarHBondContact CE1-CE2 3.49Å; H356-Y367 AromaticContact CE1-CZ 3.7Å; H356-Y367 PolarHBondContact CE1-OH 3.49Å; H356-Y367 VanDerWaalsContact CE1-OH 3.27Å; H356-Y367 AromaticContact ND1-CE2 3.39Å; H356-Y367 WeakPolarHBondContact ND1-CE2 3.26Å; H356-Y367 AromaticContact ND1-CZ 3.96Å; N357-Y367 PolarHBondContact O-N 2.8Å; A365-Y367 WeakPolarHBondContact O-CD2 3Å; A365-Y367 PolarHBondContact O-N 2.91Å
368T89Confident85.9Confident62 Ų6265.4 Ų65.438%0.3834%0.341SS..PPolyproline II helixtrans-84.3141.6-178.165.50000111S266 D366S266-T368 VanDerWaalsContact CB-CG2 3.49Å; D366-T368 PolarHBondContact O-N 3.39Å
369P92.9Very high85.9Confident8 Ų867.6 Ų67.65%0.05236%0.362CS..PPolyproline II helixtrans-49.4144.7168.6-29.739.3000112.9L317 S371 H452L317-P369 WeakPolarHBondContact O-CG 3.44Å; P369-S371 PolarHBondContact O-N 3.03Å; P369-H452 VanDerWaalsContact CB-CE1 3.45Å; P369-H452 WeakPolarHBondContact CB-CE1 3.32Å; P369-H452 PolarHBondContact O-NE2 2.98Å
370Y93.9Very high86.2Confident33 Ų3370.1 Ų70.113%0.12938%0.381CS..PPolyproline II helixtrans-78.3124.2-175-71.41.8000111.2M313 Q314 L317 R374 I375 H452 P453M313-Y370 HydrophobicContact CB-CE2 4.2Å; M313-Y370 WeakPolarHBondContact CB-OH 3.4Å; Q314-Y370 HydrophobicContact CB-CD2 4.09Å; Q314-Y370 HydrophobicContact CB-CE2 4.34Å; Q314-Y370 HydrophobicContact CG-CD2 4.42Å; L317-Y370 HydrophobicContact CD1-CD1 3.66Å; L317-Y370 HydrophobicContact CD1-CE1 3.25Å; Y370-R374 VanDerWaalsContact CE1-NH2 3.33Å; Y370-R374 HydrophobicContact CG-CG 4.41Å; Y370-R374 VanDerWaalsContact CZ-CZ 3.45Å; Y370-R374 PolarHBondContact OH-NH2 3.42Å; Y370-I375 HydrophobicContact CD2-CG1 4.29Å; Y370-H452 PolarHBondContact O-NE2 3.06Å; Y370-P453 WeakPolarHBondContact O-CD 3.15Å
371S91.7Very high86.8Confident20 Ų2065.1 Ų65.114%0.1436%0.363CS..PPolyproline II helixtrans-64.9157.6168.868.40000112.2P369 I373 R374 I375 H452P369-S371 PolarHBondContact O-N 3.03Å; S371-I373 PolarHBondContact O-N 3.09Å; S371-R374 PolarHBondContact O-N 3.37Å; S371-R374 VanDerWaalsContact O-N 3.13Å; S371-R374 PolarHBondContact OG-N 2.62Å; S371-I375 WeakPolarHBondContact O-CG1 3.38Å; S371-I375 PolarHBondContact O-N 3.47Å; S371-I375 VanDerWaalsContact O-N 3.08Å; S371-H452 VanDerWaalsContact CA-CD2 3.48Å; S371-H452 WeakPolarHBondContact CA-CD2 3.44Å
372C93.3Very high87.4Confident33 Ų3364.2 Ų64.222%0.22337%0.37CS..Hα-helixtrans-57.2-38.6174.9-70.50000111R374 I375 V376 H451C372-R374 PolarHBondContact O-N 2.76Å; C372-I375 PolarHBondContact O-N 2.83Å; C372-V376 WeakPolarHBondContact O-CB 3.41Å; C372-V376 WeakPolarHBondContact O-CG2 3.24Å; C372-V376 PolarHBondContact O-N 3.16Å; C372-H451 WeakPolarHBondContact CB-O 3.44Å; C372-H451 PolarHBondContact N-O 3.33Å; C372-H451 PolarHBondContact SG-O 3.12Å; C372-H451 VanDerWaalsContact SG-O 3.34Å
373I89Confident88.3Confident47 Ų4766 Ų6624%0.24138%0.38CS..Hα-helixtrans-61.4-42.6178.4-66.3168.1000111.3N258 S371 V376 S377N258-I373 WeakPolarHBondContact O-CD1 2.8Å; S371-I373 PolarHBondContact O-N 3.09Å; I373-V376 PolarHBondContact O-N 2.96Å; I373-S377 VanDerWaalsContact O-CB 3.24Å; I373-S377 WeakPolarHBondContact O-CB 3Å; I373-S377 PolarHBondContact O-N 3.32Å; I373-S377 PolarHBondContact O-OG 3.28Å
374R90.3Very high89.2Confident115 Ų11558.8 Ų58.843%0.43436%0.363SS..Hα-helixtrans-64-43.8176.4-178.3176179.6166.93.9111.7Y370 S371 C372 S377 G378Y370-R374 VanDerWaalsContact CE1-NH2 3.33Å; Y370-R374 HydrophobicContact CG-CG 4.41Å; Y370-R374 VanDerWaalsContact CZ-CZ 3.45Å; Y370-R374 PolarHBondContact OH-NH2 3.42Å; S371-R374 PolarHBondContact O-N 3.37Å; S371-R374 VanDerWaalsContact O-N 3.13Å; S371-R374 PolarHBondContact OG-N 2.62Å; C372-R374 PolarHBondContact O-N 2.76Å; R374-S377 PolarHBondContact O-N 3.09Å; R374-G378 PolarHBondContact O-N 2.91Å; R374-G378 VanDerWaalsContact O-N 3.13Å
375I95Very high90Very high8 Ų851 Ų514%0.04134%0.336CS..Hα-helixtrans-66-43.3179.1-64.6171.9000110.7M294 Q314 Y370 S371 C372 C389 H393 P453M294-I375 HydrophobicContact CE-CD1 4.06Å; Q314-I375 HydrophobicContact CG-CD1 4.11Å; Q314-I375 HydrophobicContact CG-CG1 4.37Å; Y370-I375 HydrophobicContact CD2-CG1 4.29Å; S371-I375 WeakPolarHBondContact O-CG1 3.38Å; S371-I375 PolarHBondContact O-N 3.47Å; S371-I375 VanDerWaalsContact O-N 3.08Å; C372-I375 PolarHBondContact O-N 2.83Å; I375-C389 HydrophobicContact CG2-CB 4.03Å; I375-H393 PolarHBondContact O-CE1 3.29Å; I375-H393 VanDerWaalsContact O-CE1 3.29Å; I375-P453 HydrophobicContact CD1-CG 3.57Å
376V93.4Very high91.1Very high27 Ų2751.6 Ų51.616%0.16433%0.328CS..Hα-helixtrans-70.6-30.3178.6168.90000110.9C372 I373 C389 R392 Y426C372-V376 WeakPolarHBondContact O-CB 3.41Å; C372-V376 WeakPolarHBondContact O-CG2 3.24Å; C372-V376 PolarHBondContact O-N 3.16Å; I373-V376 PolarHBondContact O-N 2.96Å; V376-C389 HydrophobicContact CG2-CB 3.72Å; V376-R392 WeakPolarHBondContact O-CD 3.39Å; V376-R392 PolarHBondContact O-NE 3.18Å; V376-R392 PolarHBondContact O-NH1 2.95Å; V376-Y426 HydrophobicContact CG1-CD2 3.54Å; V376-Y426 HydrophobicContact CG1-CE2 3.59Å; V376-Y426 HydrophobicContact CG2-CD2 4.06Å
377S89.5Confident91.9Very high81 Ų8148.9 Ų48.957%0.56631%0.313SS*.Hα-helixtrans-89.2-8.7179.6-52.60000113.4I373 R374I373-S377 VanDerWaalsContact O-CB 3.24Å; I373-S377 WeakPolarHBondContact O-CB 3Å; I373-S377 PolarHBondContact O-N 3.32Å; I373-S377 PolarHBondContact O-OG 3.28Å; R374-S377 PolarHBondContact O-N 3.09Å
378G90Very high92.3Very high34 Ų3445.2 Ų45.235%0.35130%0.3SS..SBendtrans-69.3-179.4-178.700000114.3R374 R392R374-G378 PolarHBondContact O-N 2.91Å; R374-G378 VanDerWaalsContact O-N 3.13Å; G378-R392 PolarHBondContact O-NH1 3.47Å
379S91.5Very high92.7Very high77 Ų7743 Ų4354%0.53829%0.286SS..PPolyproline II helixtrans-65.8144.3172.3510000111.2H387S379-H387 PolarHBondContact O-NE2 2.98Å; S379-H387 PolarHBondContact OG-NE2 3.08Å
380A93Very high92.9Very high63 Ų6342.9 Ų42.952%0.52129%0.286SS..PPolyproline II helixtrans-64.5145.8167.500000110.1G382A380-G382 PolarHBondContact O-N 3.44Å
381P93.6Very high93.1Very high40 Ų4041.7 Ų41.726%0.2628%0.281SS..PPolyproline II helixtrans-65.6128.417528-32000110.7D385 H393P381-D385 HydrophobicContact CB-CB 4.1Å; P381-D385 WeakPolarHBondContact CB-O 3.47Å; P381-H393 HydrophobicContact CG-CB 4.36Å
382G91.7Very high93.3Very high40 Ų4045.4 Ų45.441%0.41229%0.292SS..  trans-80.2-175.4170.900000113A380 G384 D385A380-G382 PolarHBondContact O-N 3.44Å; G382-G384 PolarHBondContact O-N 3.41Å; G382-D385 WeakPolarHBondContact O-CB 3.38Å; G382-D385 PolarHBondContact O-N 3.06Å
383A89.7Confident93.4Very high94 Ų9445.4 Ų45.478%0.77729%0.289SS*.THydrogen-bonded Turntrans-60.3123.3177.900000111.8R308 D385R308-A383 PolarHBondContact NH2-O 3.26Å; A383-D385 PolarHBondContact O-N 3.38Å
384G89.6Confident93.7Very high50 Ų5044.4 Ų44.452%0.51528%0.283SS..THydrogen-bonded Turntrans75.43.2-176.100000114.9G382G382-G384 PolarHBondContact O-N 3.41Å
385D93.7Very high93.9Very high36 Ų3643.6 Ų43.619%0.19329%0.288CS..  trans-92.5139.4171-70.9-43.7000111.3R308 P381 G382 A383R308-D385 VanDerWaalsContact CB-OD1 3.27Å; R308-D385 WeakPolarHBondContact CB-OD1 3.34Å; R308-D385 WeakPolarHBondContact CD-OD1 3.43Å; R308-D385 WeakPolarHBondContact CG-OD1 3.49Å; R308-D385 IonicContact CZ-OD1 3.09Å; R308-D385 IonicContact NE-OD1 2.74Å; R308-D385 PolarHBondContact NE-OD1 3.21Å; R308-D385 IonicContact NH1-OD1 3.05Å; R308-D385 PolarHBondContact NH1-OD1 3.45Å; R308-D385 IonicContact NH1-OD2 3.3Å; R308-D385 PolarHBondContact NH1-OD2 2.9Å; P381-D385 HydrophobicContact CB-CB 4.1Å; P381-D385 WeakPolarHBondContact CB-O 3.47Å; G382-D385 WeakPolarHBondContact O-CB 3.38Å; G382-D385 PolarHBondContact O-N 3.06Å; A383-D385 PolarHBondContact O-N 3.38Å
386Y95.4Very high93.9Very high59 Ų5945.4 Ų45.423%0.23130%0.3CS..  trans-123.8110.8173.3-60.3-87.2000106.8L297 A300 H304 L307 G311L297-Y386 WeakPolarHBondContact CD2-O 3.46Å; A300-Y386 HydrophobicContact CB-CD1 3.43Å; A300-Y386 VanDerWaalsContact CB-CD1 3.43Å; A300-Y386 HydrophobicContact CB-CD2 3.57Å; A300-Y386 HydrophobicContact CB-CE1 3.76Å; A300-Y386 HydrophobicContact CB-CE2 3.87Å; A300-Y386 HydrophobicContact CB-CG 3.33Å; H304-Y386 AromaticContact CD2-CE2 3.48Å; H304-Y386 VanDerWaalsContact CD2-CE2 3.48Å; H304-Y386 WeakPolarHBondContact CD2-CE2 3.27Å; H304-Y386 AromaticContact CD2-CZ 3.75Å; H304-Y386 AromaticContact NE2-CE2 3.69Å; H304-Y386 AromaticContact NE2-CZ 3.52Å; H304-Y386 PolarHBondContact NE2-OH 3.37Å; L307-Y386 HydrophobicContact CD2-CD2 4.5Å; G311-Y386 WeakPolarHBondContact CA-O 3.19Å
387H96.4Very high94Very high20 Ų2048.6 Ų48.69%0.09331%0.313CS..  trans-174.2178.2171.261.7-79.7000109.4S379S379-H387 PolarHBondContact O-NE2 2.98Å; S379-H387 PolarHBondContact OG-NE2 3.08Å
388G96.5Very high94.2Very high3 Ų348.2 Ų48.23%0.03130%0.304CS..SBendtrans90.8-174.2176.700000113.9C293 Q314 H393C293-G388 WeakPolarHBondContact CB-O 3.35Å; Q314-G388 PolarHBondContact NE2-O 3.27Å; Q314-G388 VanDerWaalsContact NE2-O 3.13Å; G388-H393 VanDerWaalsContact CA-ND1 3.27Å; G388-H393 WeakPolarHBondContact CA-ND1 3.28Å
389C97.6Very high94.5Very high15 Ų1546.9 Ų46.910%0.10129%0.289CS..  trans-95.1120.8177-179.30000109.5I375 V376 F391 R392 H393I375-C389 HydrophobicContact CG2-CB 4.03Å; V376-C389 HydrophobicContact CG2-CB 3.72Å; C389-F391 PolarHBondContact O-N 3.3Å; C389-R392 HydrophobicContact CB-CB 4.21Å; C389-R392 PolarHBondContact O-N 3.3Å; C389-H393 PolarHBondContact N-ND1 2.87Å; C389-H393 PolarHBondContact O-N 3.28Å
390P96.7Very high94.8Very high6 Ų646.8 Ų46.84%0.03928%0.277CS..Hα-helixtrans-53.9-39.2176.3-30.337.8000113P292 C293 R392 M394 L399P292-P390 HydrophobicContact CB-CB 4.49Å; P292-P390 HydrophobicContact CB-CG 4Å; C293-P390 HydrophobicContact CB-CG 4.36Å; P390-R392 VanDerWaalsContact C-N 3.25Å; P390-R392 PolarHBondContact O-N 2.98Å; P390-M394 HydrophobicContact CB-CG 4.44Å; P390-M394 HydrophobicContact CB-SD 3.77Å; P390-M394 VanDerWaalsContact O-CB 3.29Å; P390-M394 WeakPolarHBondContact O-CB 3.33Å; P390-M394 PolarHBondContact O-N 2.78Å; P390-L399 HydrophobicContact CB-CD1 4.38Å
391F97Very high94.9Very high8 Ų848.8 Ų48.84%0.03528%0.275CS..Hα-helixtrans-70-17.8-179.1-50.7-61.5000114.2P292 C389 L399 I417 A421 Y426 C430P292-F391 HydrophobicContact CB-CE2 4.48Å; P292-F391 HydrophobicContact CB-CZ 4.3Å; P292-F391 HydrophobicContact CG-CE2 4.11Å; P292-F391 HydrophobicContact CG-CZ 3.76Å; C389-F391 PolarHBondContact O-N 3.3Å; F391-L399 HydrophobicContact CD1-CD1 4.19Å; F391-L399 HydrophobicContact CD1-CD2 4.1Å; F391-L399 HydrophobicContact CE1-CD1 4.4Å; F391-I417 HydrophobicContact CD1-CG2 3.92Å; F391-I417 HydrophobicContact CE1-CG2 3.49Å; F391-I417 VanDerWaalsContact CE1-CG2 3.49Å; F391-I417 HydrophobicContact CZ-CG2 4.5Å; F391-A421 HydrophobicContact CB-CB 4.22Å; F391-Y426 HydrophobicContact CB-CD1 3.79Å; F391-Y426 HydrophobicContact CB-CG 4.39Å; F391-Y426 WeakPolarHBondContact O-CD1 3.39Å; F391-Y426 WeakPolarHBondContact O-CE1 3.45Å; F391-C430 HydrophobicContact CD2-CB 4.17Å; F391-C430 VanDerWaalsContact CE2-CA 3.44Å; F391-C430 HydrophobicContact CE2-CB 3.55Å; F391-C430 HydrophobicContact CZ-CB 4.35Å
392R96.1Very high94.9Very high97 Ų9752.1 Ų52.137%0.36628%0.283SS..Hα-helixtrans-100.4-49.9174.9177.4-176.1-179.6-130.915.1112.3V376 G378 C389 P390 Y426V376-R392 WeakPolarHBondContact O-CD 3.39Å; V376-R392 PolarHBondContact O-NE 3.18Å; V376-R392 PolarHBondContact O-NH1 2.95Å; G378-R392 PolarHBondContact O-NH1 3.47Å; C389-R392 HydrophobicContact CB-CB 4.21Å; C389-R392 PolarHBondContact O-N 3.3Å; P390-R392 VanDerWaalsContact C-N 3.25Å; P390-R392 PolarHBondContact O-N 2.98Å; R392-Y426 HydrophobicContact CB-CD1 4.24Å; R392-Y426 HydrophobicContact CB-CD2 4.43Å; R392-Y426 HydrophobicContact CB-CE1 3.83Å; R392-Y426 HydrophobicContact CB-CE2 4.04Å; R392-Y426 HydrophobicContact CG-CE1 4.4Å; R392-Y426 HydrophobicContact CG-CE2 4.21Å
393H96.3Very high95.1Very high34 Ų3451 Ų5116%0.15727%0.267CS..Hα-helixtrans-96.5-13.6-162.5-57137000114.1I375 P381 G388 C389I375-H393 PolarHBondContact O-CE1 3.29Å; I375-H393 VanDerWaalsContact O-CE1 3.29Å; P381-H393 HydrophobicContact CG-CB 4.36Å; G388-H393 VanDerWaalsContact CA-ND1 3.27Å; G388-H393 WeakPolarHBondContact CA-ND1 3.28Å; C389-H393 PolarHBondContact N-ND1 2.87Å; C389-H393 PolarHBondContact O-N 3.28Å
394M94.4Very high95.3Very high26 Ų2649.2 Ų49.213%0.12825%0.245CC..SBendtrans-87.2145.4172.3-65.2-18058.300109.6P390 L398 L399 R402P390-M394 HydrophobicContact CB-CG 4.44Å; P390-M394 HydrophobicContact CB-SD 3.77Å; P390-M394 VanDerWaalsContact O-CB 3.29Å; P390-M394 WeakPolarHBondContact O-CB 3.33Å; P390-M394 PolarHBondContact O-N 2.78Å; M394-L398 HydrophobicContact CE-CB 4.3Å; M394-L398 HydrophobicContact CE-CD2 3.8Å; M394-L398 HydrophobicContact CE-CG 3.58Å; M394-L399 HydrophobicContact CB-CB 4.37Å; M394-R402 HydrophobicContact CE-CB 4.41Å; M394-R402 HydrophobicContact CE-CG 3.93Å; M394-R402 PolarHBondContact SD-NH1 3.49Å; M394-R402 VanDerWaalsContact SD-NH1 3.43Å
395D94.1Very high95.3Very high98 Ų9851.7 Ų51.752%0.52425%0.254SS..  trans-57.9138.4167.2-179.580.3000110.2E397 L398 L399D395-E397 PolarHBondContact O-N 3.38Å; D395-E397 VanDerWaalsContact OD2-CB 3.29Å; D395-E397 WeakPolarHBondContact OD2-CB 3.39Å; D395-E397 PolarHBondContact OD2-N 3.49Å; D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 PolarHBondContact O-N 3.32Å; D395-L398 VanDerWaalsContact O-N 3.17Å; D395-L399 WeakPolarHBondContact O-CB 3.34Å; D395-L399 PolarHBondContact O-N 3.45Å
396P95Very high94.6Very high45 Ų4552.5 Ų52.529%0.29227%0.27SS..Hα-helixtrans-56.5-32.6-177.8-27.835.9000114.6R400 V418 K422P396-R400 WeakPolarHBondContact O-CB 3.32Å; P396-R400 PolarHBondContact O-N 2.98Å; P396-V418 HydrophobicContact CB-CG1 4.15Å; P396-K422 HydrophobicContact CB-CG 4.28Å; P396-K422 HydrophobicContact CG-CG 4.13Å
397E95.8Very high94Very high95 Ų9553 Ų5344%0.44429%0.293SS..Hα-helixtrans-74.9-43178.5-176.252-144.300110.9D395 L399 R400 Q401D395-E397 PolarHBondContact O-N 3.38Å; D395-E397 VanDerWaalsContact OD2-CB 3.29Å; D395-E397 WeakPolarHBondContact OD2-CB 3.39Å; D395-E397 PolarHBondContact OD2-N 3.49Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 2.96Å; E397-R400 WeakPolarHBondContact O-CB 3.43Å; E397-R400 PolarHBondContact O-N 2.97Å; E397-Q401 WeakPolarHBondContact O-CG 3.47Å; E397-Q401 PolarHBondContact O-N 2.86Å; E397-Q401 PolarHBondContact OE1-NE2 3.1Å; E397-Q401 VanDerWaalsContact OE1-NE2 3.17Å
398L94.8Very high93.7Very high73 Ų7358.4 Ų58.438%0.38231%0.313SS..Hα-helixtrans-62.9-38.4173.3-177.363.8000111.7M394 D395 Q401 R402M394-L398 HydrophobicContact CE-CB 4.3Å; M394-L398 HydrophobicContact CE-CD2 3.8Å; M394-L398 HydrophobicContact CE-CG 3.58Å; D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 PolarHBondContact O-N 3.32Å; D395-L398 VanDerWaalsContact O-N 3.17Å; L398-Q401 PolarHBondContact O-N 3.36Å; L398-R402 WeakPolarHBondContact O-CG 3.4Å; L398-R402 PolarHBondContact O-N 3.34Å
399L96.2Very high93.6Very high6 Ų659.1 Ų59.13%0.03132%0.316CS..Hα-helixtrans-60.3-49.4174.2175.964000110.6P390 F391 M394 D395 E397 Q401 R402 L403 V418 A421P390-L399 HydrophobicContact CB-CD1 4.38Å; F391-L399 HydrophobicContact CD1-CD1 4.19Å; F391-L399 HydrophobicContact CD1-CD2 4.1Å; F391-L399 HydrophobicContact CE1-CD1 4.4Å; M394-L399 HydrophobicContact CB-CB 4.37Å; D395-L399 WeakPolarHBondContact O-CB 3.34Å; D395-L399 PolarHBondContact O-N 3.45Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 2.96Å; L399-Q401 PolarHBondContact O-N 3.07Å; L399-R402 PolarHBondContact O-N 2.99Å; L399-L403 HydrophobicContact CD1-CD1 4.03Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 3.93Å; L399-L403 HydrophobicContact CG-CG 4.48Å; L399-L403 VanDerWaalsContact O-CG 3.26Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 3.33Å; L399-V418 HydrophobicContact CD2-CG2 4.4Å; L399-V418 HydrophobicContact CG-CG2 4.45Å; L399-A421 HydrophobicContact CD2-CB 3.95Å
400R96.6Very high93.4Very high74 Ų7461.5 Ų61.528%0.27933%0.333SS..Hα-helixtrans-53.6-51.5175.7-177.2-166.2-177.196.512.7111.2P396 E397 R402 L403 L404 V414 E415 V418P396-R400 WeakPolarHBondContact O-CB 3.32Å; P396-R400 PolarHBondContact O-N 2.98Å; E397-R400 WeakPolarHBondContact O-CB 3.43Å; E397-R400 PolarHBondContact O-N 2.97Å; R400-R402 PolarHBondContact O-N 2.95Å; R400-L403 PolarHBondContact O-N 3.46Å; R400-L404 HydrophobicContact CG-CD1 4.13Å; R400-L404 WeakPolarHBondContact O-CG 3.48Å; R400-L404 PolarHBondContact O-N 3.4Å; R400-L404 VanDerWaalsContact O-N 3.1Å; R400-V414 HydrophobicContact CG-CG1 4.11Å; R400-E415 IonicContact CZ-OE1 3.37Å; R400-E415 IonicContact CZ-OE2 2.95Å; R400-E415 IonicContact NE-OE1 2.62Å; R400-E415 IonicContact NH1-OE1 2.83Å; R400-E415 PolarHBondContact NH1-OE1 3.49Å; R400-E415 IonicContact NH1-OE2 2.88Å; R400-E415 PolarHBondContact NH1-OE2 2.72Å; R400-E415 IonicContact NH2-OE1 2.9Å; R400-E415 PolarHBondContact NH2-OE1 2.86Å; R400-E415 IonicContact NH2-OE2 2.81Å; R400-V418 HydrophobicContact CB-CG2 4.07Å
401Q95.6Very high93.3Very high105 Ų10566.7 Ų66.749%0.49136%0.36SS..Hα-helixtrans-59.6-43.8-179.7-69.9173.17.400112.4E397 L398 L399 L404 S405E397-Q401 WeakPolarHBondContact O-CG 3.47Å; E397-Q401 PolarHBondContact O-N 2.86Å; E397-Q401 PolarHBondContact OE1-NE2 3.1Å; E397-Q401 VanDerWaalsContact OE1-NE2 3.17Å; L398-Q401 PolarHBondContact O-N 3.36Å; L399-Q401 PolarHBondContact O-N 3.07Å; Q401-L404 PolarHBondContact O-N 2.8Å; Q401-S405 PolarHBondContact O-N 2.92Å
402R93.9Very high93.2Very high110 Ų11071.5 Ų71.542%0.41539%0.386SS..Hα-helixtrans-67.9-34177.5-73.2-150.8-171.3154-7.1113.7Q296 M394 L398 L399 R400 L404 S405Q296-R402 VanDerWaalsContact NE2-NH1 3.11Å; M394-R402 HydrophobicContact CE-CB 4.41Å; M394-R402 HydrophobicContact CE-CG 3.93Å; M394-R402 PolarHBondContact SD-NH1 3.49Å; M394-R402 VanDerWaalsContact SD-NH1 3.43Å; L398-R402 WeakPolarHBondContact O-CG 3.4Å; L398-R402 PolarHBondContact O-N 3.34Å; L399-R402 PolarHBondContact O-N 2.99Å; R400-R402 PolarHBondContact O-N 2.95Å; R402-L404 VanDerWaalsContact C-N 3.28Å; R402-S405 PolarHBondContact O-OG 3.49Å
403L95.4Very high93.1Very high16 Ų1667.2 Ų67.28%0.08437%0.37CS..Hα-helixtrans-67.5-33.8175.8-69.5169.9000111.3L399 R400 L409 V414 I417 V418 Y433L399-L403 HydrophobicContact CD1-CD1 4.03Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 3.93Å; L399-L403 HydrophobicContact CG-CG 4.48Å; L399-L403 VanDerWaalsContact O-CG 3.26Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 3.33Å; R400-L403 PolarHBondContact O-N 3.46Å; L403-L409 HydrophobicContact CB-CD1 4.18Å; L403-L409 HydrophobicContact CD2-CD1 3.8Å; L403-V414 HydrophobicContact CB-CG1 3.94Å; L403-V414 HydrophobicContact CB-CG2 3.84Å; L403-V414 HydrophobicContact CD1-CG1 4.08Å; L403-I417 HydrophobicContact CD1-CB 4.12Å; L403-I417 HydrophobicContact CD1-CD1 4.37Å; L403-I417 HydrophobicContact CD1-CG2 3.61Å; L403-I417 HydrophobicContact CD2-CD1 4.47Å; L403-V418 HydrophobicContact CD1-CG2 4.26Å; L403-Y433 HydrophobicContact CD2-CD2 3.65Å; L403-Y433 HydrophobicContact CD2-CE2 3.87Å
404L94.6Very high93.1Very high58 Ų5865.6 Ų65.630%0.30436%0.363SS..Hα-helixtrans-79.8-31.7178.6-66173.1000113.8R400 Q401 R402 G406 G407 L411 V414R400-L404 HydrophobicContact CG-CD1 4.13Å; R400-L404 WeakPolarHBondContact O-CG 3.48Å; R400-L404 PolarHBondContact O-N 3.4Å; R400-L404 VanDerWaalsContact O-N 3.1Å; Q401-L404 PolarHBondContact O-N 2.8Å; R402-L404 VanDerWaalsContact C-N 3.28Å; L404-G406 PolarHBondContact O-N 3.23Å; L404-G407 PolarHBondContact O-N 2.98Å; L404-L411 HydrophobicContact CD1-CD2 4.47Å; L404-L411 HydrophobicContact CD2-CD2 3.57Å; L404-V414 HydrophobicContact CD2-CB 4.28Å; L404-V414 HydrophobicContact CD2-CG1 4.28Å; L404-V414 HydrophobicContact CD2-CG2 3.87Å; L404-V414 HydrophobicContact CG-CG1 4.25Å; L404-V414 HydrophobicContact CG-CG2 4.45Å
405S89Confident93.2Very high102 Ų10267.8 Ų67.871%0.71337%0.373SS*.THydrogen-bonded Turntrans-59-23.2-172.867.70000114.2Q401 R402Q401-S405 PolarHBondContact O-N 2.92Å; R402-S405 PolarHBondContact O-OG 3.49Å
406G79.4Confident93.3Very high52 Ų5264.8 Ų64.854%0.53636%0.358SS..THydrogen-bonded Turntrans-83.3-13.6176.600000115.2L404 R408L404-G406 PolarHBondContact O-N 3.23Å; G406-R408 WeakPolarHBondContact O-CG 3.48Å; G406-R408 PolarHBondContact O-N 2.97Å
407G83.7Confident93.4Very high69 Ų6962.7 Ų62.771%0.71134%0.344SS*.SBendtrans60.711-177.200000115.6L404L404-G407 PolarHBondContact O-N 2.98Å
408R89.2Confident93.4Very high135 Ų13558.5 Ų58.551%0.50933%0.325SS..  trans-93.6-26.3-175.5-70.5176.9-175174.8-0.6113.4G406 M437G406-R408 WeakPolarHBondContact O-CG 3.48Å; G406-R408 PolarHBondContact O-N 2.97Å; R408-M437 HydrophobicContact CB-CE 4.44Å; R408-M437 HydrophobicContact CB-SD 4Å
409L94Very high93.5Very high17 Ų1759.7 Ų59.79%0.08933%0.332CS..SBendtrans-97.3140.3179.9-64.4174.3000109.8L403 V413 V414 I417 Y433 G436 M437L403-L409 HydrophobicContact CB-CD1 4.18Å; L403-L409 HydrophobicContact CD2-CD1 3.8Å; L409-V413 HydrophobicContact CD2-CG1 4.08Å; L409-V414 HydrophobicContact CB-CG2 3.75Å; L409-V414 HydrophobicContact CD1-CG2 4.24Å; L409-I417 HydrophobicContact CD1-CD1 4.29Å; L409-Y433 HydrophobicContact CD1-CD2 3.84Å; L409-Y433 HydrophobicContact CD1-CE2 3.95Å; L409-G436 VanDerWaalsContact CD2-C 3.5Å; L409-M437 HydrophobicContact CD1-SD 4.48Å; L409-M437 HydrophobicContact CD2-CG 3.96Å; L409-M437 HydrophobicContact CD2-SD 3.9Å; L409-M437 HydrophobicContact CG-SD 3.99Å
410S93.7Very high93.4Very high66 Ų6660.4 Ų60.446%0.46233%0.334SS..  trans-72.5155.2170.361.70000110.7D412 V413 V414S410-D412 VanDerWaalsContact C-N 3.29Å; S410-D412 PolarHBondContact O-N 2.89Å; S410-V413 PolarHBondContact O-N 2.78Å; S410-V413 VanDerWaalsContact OG-CG2 3.22Å; S410-V413 WeakPolarHBondContact OG-CG2 3.28Å; S410-V413 PolarHBondContact OG-N 2.9Å; S410-V414 WeakPolarHBondContact O-CG2 3.23Å; S410-V414 PolarHBondContact O-N 3.22Å; S410-V414 VanDerWaalsContact O-N 3.08Å
411L94.5Very high93.3Very high114 Ų11457.4 Ų57.460%0.59733%0.325SS*.Hα-helixtrans-55.4-44.3177.8-67.5175.9000112L404 V413 V414 E415L404-L411 HydrophobicContact CD1-CD2 4.47Å; L404-L411 HydrophobicContact CD2-CD2 3.57Å; L411-V413 PolarHBondContact O-N 2.92Å; L411-V414 PolarHBondContact O-N 3.43Å; L411-V414 VanDerWaalsContact O-N 3.13Å; L411-E415 WeakPolarHBondContact O-CG 3.35Å; L411-E415 PolarHBondContact O-N 3.38Å
412D94.4Very high93.2Very high110 Ų11058.9 Ų58.959%0.58833%0.33SS*.Hα-helixtrans-58.5-43.9179178.374000113.2S410 V414 E415 T416S410-D412 VanDerWaalsContact C-N 3.29Å; S410-D412 PolarHBondContact O-N 2.89Å; D412-V414 VanDerWaalsContact C-N 3.34Å; D412-V414 PolarHBondContact O-N 3.1Å; D412-E415 PolarHBondContact O-N 3.36Å; D412-T416 WeakPolarHBondContact O-CB 3.42Å; D412-T416 PolarHBondContact O-N 2.8Å; D412-T416 PolarHBondContact O-OG1 2.93Å
413V94.9Very high93Very high7 Ų758.9 Ų58.94%0.04234%0.335CS..Hα-helixtrans-65.1-41.2176.2171.70000110.5L409 S410 L411 T416 I417 E432L409-V413 HydrophobicContact CD2-CG1 4.08Å; S410-V413 PolarHBondContact O-N 2.78Å; S410-V413 VanDerWaalsContact OG-CG2 3.22Å; S410-V413 WeakPolarHBondContact OG-CG2 3.28Å; S410-V413 PolarHBondContact OG-N 2.9Å; L411-V413 PolarHBondContact O-N 2.92Å; V413-T416 PolarHBondContact O-N 3.44Å; V413-I417 HydrophobicContact CG1-CD1 3.75Å; V413-I417 HydrophobicContact CG1-CG1 4.38Å; V413-I417 WeakPolarHBondContact O-CD1 3.3Å; V413-I417 WeakPolarHBondContact O-CG1 3.32Å; V413-I417 PolarHBondContact O-N 3.4Å; V413-E432 HydrophobicContact CG1-CG 4.26Å
414V96.8Very high92.7Very high0 Ų066 Ų660%036%0.36CS..Hα-helixtrans-63.5-45.7177.7174.70000111.4R400 L403 L404 L409 S410 L411 D412 T416 I417 V418R400-V414 HydrophobicContact CG-CG1 4.11Å; L403-V414 HydrophobicContact CB-CG1 3.94Å; L403-V414 HydrophobicContact CB-CG2 3.84Å; L403-V414 HydrophobicContact CD1-CG1 4.08Å; L404-V414 HydrophobicContact CD2-CB 4.28Å; L404-V414 HydrophobicContact CD2-CG1 4.28Å; L404-V414 HydrophobicContact CD2-CG2 3.87Å; L404-V414 HydrophobicContact CG-CG1 4.25Å; L404-V414 HydrophobicContact CG-CG2 4.45Å; L409-V414 HydrophobicContact CB-CG2 3.75Å; L409-V414 HydrophobicContact CD1-CG2 4.24Å; S410-V414 WeakPolarHBondContact O-CG2 3.23Å; S410-V414 PolarHBondContact O-N 3.22Å; S410-V414 VanDerWaalsContact O-N 3.08Å; L411-V414 PolarHBondContact O-N 3.43Å; L411-V414 VanDerWaalsContact O-N 3.13Å; D412-V414 VanDerWaalsContact C-N 3.34Å; D412-V414 PolarHBondContact O-N 3.1Å; V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 PolarHBondContact O-N 2.93Å; V414-I417 PolarHBondContact O-N 2.94Å; V414-V418 HydrophobicContact CG1-CG2 4.34Å; V414-V418 VanDerWaalsContact O-CG2 3.32Å; V414-V418 WeakPolarHBondContact O-CG2 3.4Å; V414-V418 PolarHBondContact O-N 2.96Å
415E96.7Very high92.4Very high72 Ų7264.6 Ų64.634%0.33635%0.353SS..Hα-helixtrans-58.6-44.9175.6-66.2-42.1123.600111.5R400 L411 D412 I417 V418 L419R400-E415 IonicContact CZ-OE1 3.37Å; R400-E415 IonicContact CZ-OE2 2.95Å; R400-E415 IonicContact NE-OE1 2.62Å; R400-E415 IonicContact NH1-OE1 2.83Å; R400-E415 PolarHBondContact NH1-OE1 3.49Å; R400-E415 IonicContact NH1-OE2 2.88Å; R400-E415 PolarHBondContact NH1-OE2 2.72Å; R400-E415 IonicContact NH2-OE1 2.9Å; R400-E415 PolarHBondContact NH2-OE1 2.86Å; R400-E415 IonicContact NH2-OE2 2.81Å; L411-E415 WeakPolarHBondContact O-CG 3.35Å; L411-E415 PolarHBondContact O-N 3.38Å; D412-E415 PolarHBondContact O-N 3.36Å; E415-I417 PolarHBondContact O-N 3.05Å; E415-V418 PolarHBondContact O-N 3.45Å; E415-L419 WeakPolarHBondContact O-CB 3.39Å; E415-L419 PolarHBondContact O-N 3.42Å
416T95Very high92.6Very high35 Ų3561.8 Ų61.822%0.21533%0.327CS..Hα-helixtrans-61.5-43.2178.7-58.80000111.5D412 V413 V414 R420 E432D412-T416 WeakPolarHBondContact O-CB 3.42Å; D412-T416 PolarHBondContact O-N 2.8Å; D412-T416 PolarHBondContact O-OG1 2.93Å; V413-T416 PolarHBondContact O-N 3.44Å; V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 PolarHBondContact O-N 2.93Å; T416-R420 WeakPolarHBondContact O-CB 3.14Å; T416-R420 VanDerWaalsContact O-CG 3.28Å; T416-R420 WeakPolarHBondContact O-CG 3.34Å; T416-R420 PolarHBondContact O-N 2.76Å; T416-E432 HydrophobicContact CG2-CG 3.96Å
417I96.6Very high93.1Very high0 Ų061.8 Ų61.80%031%0.313CS..Hα-helixtrans-61.5-47.7175.9-70.2164.2000110.8F391 L403 L409 V413 V414 E415 R420 A421 S429 E432 Y433F391-I417 HydrophobicContact CD1-CG2 3.92Å; F391-I417 HydrophobicContact CE1-CG2 3.49Å; F391-I417 VanDerWaalsContact CE1-CG2 3.49Å; F391-I417 HydrophobicContact CZ-CG2 4.5Å; L403-I417 HydrophobicContact CD1-CB 4.12Å; L403-I417 HydrophobicContact CD1-CD1 4.37Å; L403-I417 HydrophobicContact CD1-CG2 3.61Å; L403-I417 HydrophobicContact CD2-CD1 4.47Å; L409-I417 HydrophobicContact CD1-CD1 4.29Å; V413-I417 HydrophobicContact CG1-CD1 3.75Å; V413-I417 HydrophobicContact CG1-CG1 4.38Å; V413-I417 WeakPolarHBondContact O-CD1 3.3Å; V413-I417 WeakPolarHBondContact O-CG1 3.32Å; V413-I417 PolarHBondContact O-N 3.4Å; V414-I417 PolarHBondContact O-N 2.94Å; E415-I417 PolarHBondContact O-N 3.05Å; I417-R420 PolarHBondContact O-N 3.17Å; I417-A421 WeakPolarHBondContact O-CB 3.31Å; I417-A421 PolarHBondContact O-N 3.42Å; I417-S429 PolarHBondContact O-OG 3.47Å; I417-E432 HydrophobicContact CD1-CG 4.34Å; I417-E432 HydrophobicContact CG1-CB 3.7Å; I417-E432 HydrophobicContact CG1-CG 3.56Å; I417-Y433 HydrophobicContact CD1-CD2 4.47Å
418V97.1Very high93.5Very high7 Ų758.7 Ų58.74%0.04228%0.28CS..Hα-helixtrans-67.4-40.2-177.1172.80000111.1P396 L399 R400 L403 V414 E415 A421 K422P396-V418 HydrophobicContact CB-CG1 4.15Å; L399-V418 HydrophobicContact CD2-CG2 4.4Å; L399-V418 HydrophobicContact CG-CG2 4.45Å; R400-V418 HydrophobicContact CB-CG2 4.07Å; L403-V418 HydrophobicContact CD1-CG2 4.26Å; V414-V418 HydrophobicContact CG1-CG2 4.34Å; V414-V418 VanDerWaalsContact O-CG2 3.32Å; V414-V418 WeakPolarHBondContact O-CG2 3.4Å; V414-V418 PolarHBondContact O-N 2.96Å; E415-V418 PolarHBondContact O-N 3.45Å; V418-A421 PolarHBondContact O-N 3.39Å; V418-K422 HydrophobicContact CG1-CD 4.46Å; V418-K422 WeakPolarHBondContact O-CG 3.33Å; V418-K422 PolarHBondContact O-N 3.47Å
419L95.7Very high93.7Very high99 Ų9952.2 Ų52.252%0.51826%0.256SS..Hα-helixtrans-60.1-51.1174.9179.362.8000110.9E415 A421 K422 E423E415-L419 WeakPolarHBondContact O-CB 3.39Å; E415-L419 PolarHBondContact O-N 3.42Å; L419-A421 VanDerWaalsContact C-N 3.27Å; L419-A421 PolarHBondContact O-N 3.43Å; L419-K422 WeakPolarHBondContact O-CB 3.49Å; L419-K422 PolarHBondContact O-N 3.41Å; L419-K422 VanDerWaalsContact O-N 3.12Å; L419-E423 WeakPolarHBondContact O-CG 3.5Å; L419-E423 PolarHBondContact O-N 3.06Å
420R93.9Very high93.9Very high20 Ų2052 Ų528%0.07526%0.256CS..Hα-helixtrans-60.2-37.4177.2-72.9173.9172.9170.88112.2T416 I417 E423 R424 L425 S429 E432T416-R420 WeakPolarHBondContact O-CB 3.14Å; T416-R420 VanDerWaalsContact O-CG 3.28Å; T416-R420 WeakPolarHBondContact O-CG 3.34Å; T416-R420 PolarHBondContact O-N 2.76Å; I417-R420 PolarHBondContact O-N 3.17Å; R420-E423 CarbonylContact O-C 3.43Å; R420-E423 PolarHBondContact O-N 3.02Å; R420-R424 PolarHBondContact O-N 3.48Å; R420-L425 HydrophobicContact CB-CB 4.27Å; R420-L425 WeakPolarHBondContact O-CA 3.28Å; R420-L425 WeakPolarHBondContact O-CB 3.41Å; R420-L425 PolarHBondContact O-N 2.78Å; R420-S429 WeakPolarHBondContact CB-OG 3.36Å; R420-E432 IonicContact CZ-OE2 3.61Å; R420-E432 IonicContact NH1-OE2 3.66Å; R420-E432 PolarHBondContact NH1-OE2 2.58Å; R420-E432 IonicContact NH2-OE2 2.79Å
421A95Very high93.9Very high12 Ų1249 Ų4910%0.09923%0.234CC..Hα-helixtrans-64.5-42.9175.900000111.8F391 L399 I417 V418 L419 E423 R424 S429F391-A421 HydrophobicContact CB-CB 4.22Å; L399-A421 HydrophobicContact CD2-CB 3.95Å; I417-A421 WeakPolarHBondContact O-CB 3.31Å; I417-A421 PolarHBondContact O-N 3.42Å; V418-A421 PolarHBondContact O-N 3.39Å; L419-A421 VanDerWaalsContact C-N 3.27Å; L419-A421 PolarHBondContact O-N 3.43Å; A421-E423 VanDerWaalsContact C-N 3.3Å; A421-E423 PolarHBondContact O-N 3.38Å; A421-R424 PolarHBondContact O-N 3.48Å; A421-S429 PolarHBondContact N-OG 2.72Å; A421-S429 VanDerWaalsContact N-OG 3.13Å
422K93.8Very high93.9Very high136 Ų13643.8 Ų43.859%0.59121%0.207SC*.Hα-helixtrans-61.8-37.2174.8-73.1175.5179179.40112.3P396 V418 L419 R424P396-K422 HydrophobicContact CB-CG 4.28Å; P396-K422 HydrophobicContact CG-CG 4.13Å; V418-K422 HydrophobicContact CG1-CD 4.46Å; V418-K422 WeakPolarHBondContact O-CG 3.33Å; V418-K422 PolarHBondContact O-N 3.47Å; L419-K422 WeakPolarHBondContact O-CB 3.49Å; L419-K422 PolarHBondContact O-N 3.41Å; L419-K422 VanDerWaalsContact O-N 3.12Å; K422-R424 PolarHBondContact O-N 3.29Å
423E90.1Very high94Very high110 Ų11040.1 Ų40.151%0.51419%0.185SC..THydrogen-bonded Turntrans-76.55.5174.8-66.2179.8165.900113.7L419 R420 A421 L425L419-E423 WeakPolarHBondContact O-CG 3.5Å; L419-E423 PolarHBondContact O-N 3.06Å; R420-E423 CarbonylContact O-C 3.43Å; R420-E423 PolarHBondContact O-N 3.02Å; A421-E423 VanDerWaalsContact C-N 3.3Å; A421-E423 PolarHBondContact O-N 3.38Å; E423-L425 HydrophobicContact CB-CD1 4.09Å; E423-L425 HydrophobicContact CB-CG 4.1Å; E423-L425 PolarHBondContact O-N 3.23Å
424R88.8Confident94Very high164 Ų16439.8 Ų39.862%0.61918%0.183SC*.THydrogen-bonded Turntrans64.318.7-177.9-51177.7172.2175.1-1.5114.2D111 R420 A421 K422 Y426D111-R424 IonicContact OD2-NH1 3.39Å; D111-R424 PolarHBondContact OD2-NH1 3.32Å; R420-R424 PolarHBondContact O-N 3.48Å; A421-R424 PolarHBondContact O-N 3.48Å; K422-R424 PolarHBondContact O-N 3.29Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 HydrophobicContact CB-CE1 4.41Å; R424-Y426 HydrophobicContact CB-CE2 4.25Å; R424-Y426 PolarHBondContact O-N 3.18Å; R424-Y426 VanDerWaalsContact O-N 3.14Å
425L88.4Confident93.9Very high29 Ų2941.9 Ų41.915%0.15219%0.191CC..  trans-88.762177-57.2174000110.6R420 E423 H427 L428 S429R420-L425 HydrophobicContact CB-CB 4.27Å; R420-L425 WeakPolarHBondContact O-CA 3.28Å; R420-L425 WeakPolarHBondContact O-CB 3.41Å; R420-L425 PolarHBondContact O-N 2.78Å; E423-L425 HydrophobicContact CB-CD1 4.09Å; E423-L425 HydrophobicContact CB-CG 4.1Å; E423-L425 PolarHBondContact O-N 3.23Å; L425-H427 PolarHBondContact O-N 3.2Å; L425-L428 HydrophobicContact CB-CB 4.24Å; L425-L428 HydrophobicContact CB-CD1 4.09Å; L425-L428 HydrophobicContact CB-CG 4.34Å; L425-L428 HydrophobicContact CD1-CD1 4.06Å; L425-L428 HydrophobicContact CG-CD1 4.46Å; L425-L428 PolarHBondContact O-N 3.19Å; L425-S429 PolarHBondContact O-N 3Å; L425-S429 PolarHBondContact O-OG 2.89Å
426Y93.5Very high93.8Very high44 Ų4439 Ų3917%0.17318%0.18CC..Hα-helixtrans-66.2-34.3-171.5-48.1-53.6000113.7V376 F391 R392 R424 S429 C430V376-Y426 HydrophobicContact CG1-CD2 3.54Å; V376-Y426 HydrophobicContact CG1-CE2 3.59Å; V376-Y426 HydrophobicContact CG2-CD2 4.06Å; F391-Y426 HydrophobicContact CB-CD1 3.79Å; F391-Y426 HydrophobicContact CB-CG 4.39Å; F391-Y426 WeakPolarHBondContact O-CD1 3.39Å; F391-Y426 WeakPolarHBondContact O-CE1 3.45Å; R392-Y426 HydrophobicContact CB-CD1 4.24Å; R392-Y426 HydrophobicContact CB-CD2 4.43Å; R392-Y426 HydrophobicContact CB-CE1 3.83Å; R392-Y426 HydrophobicContact CB-CE2 4.04Å; R392-Y426 HydrophobicContact CG-CE1 4.4Å; R392-Y426 HydrophobicContact CG-CE2 4.21Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 HydrophobicContact CB-CE1 4.41Å; R424-Y426 HydrophobicContact CB-CE2 4.25Å; R424-Y426 PolarHBondContact O-N 3.18Å; R424-Y426 VanDerWaalsContact O-N 3.14Å; Y426-S429 WeakPolarHBondContact O-CB 3.21Å; Y426-S429 PolarHBondContact O-N 2.8Å; Y426-C430 WeakPolarHBondContact O-CB 3.31Å; Y426-C430 PolarHBondContact O-N 2.67Å
427H90.4Very high93.8Very high52 Ų5238.4 Ų38.424%0.24118%0.175CC..Hα-helixtrans-65.2-41.9175.956.5-64.5000111.2E47 L425 C430 R431 I450E47-H427 IonicContact OE2-CD2 2.77Å; E47-H427 IonicContact OE2-CE1 3.69Å; E47-H427 IonicContact OE2-NE2 3.43Å; E47-H427 PolarHBondContact OE2-NE2 2.99Å; L425-H427 PolarHBondContact O-N 3.2Å; H427-C430 PolarHBondContact O-N 2.7Å; H427-R431 PolarHBondContact O-N 3.01Å; H427-I450 WeakPolarHBondContact CB-O 3.47Å
428L90.3Very high93.6Very high3 Ų339.5 Ų39.52%0.01618%0.18CC..Hα-helixtrans-69-35175.5-58.6-175.7000112Q51 L425 C430 R431 E432Q51-L428 HydrophobicContact CG-CD1 3.78Å; L425-L428 HydrophobicContact CB-CB 4.24Å; L425-L428 HydrophobicContact CB-CD1 4.09Å; L425-L428 HydrophobicContact CB-CG 4.34Å; L425-L428 HydrophobicContact CD1-CD1 4.06Å; L425-L428 HydrophobicContact CG-CD1 4.46Å; L425-L428 PolarHBondContact O-N 3.19Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-R431 PolarHBondContact O-N 3.24Å; L428-E432 VanDerWaalsContact O-CB 3.25Å; L428-E432 WeakPolarHBondContact O-CB 3.42Å; L428-E432 PolarHBondContact O-N 3.14Å
429S95.2Very high93.3Very high0 Ų047.9 Ų47.90%022%0.216CC..Hα-helixtrans-61.5-42.6173-52.60000111.2I417 R420 A421 L425 Y426 E432 Y433I417-S429 PolarHBondContact O-OG 3.47Å; R420-S429 WeakPolarHBondContact CB-OG 3.36Å; A421-S429 PolarHBondContact N-OG 2.72Å; A421-S429 VanDerWaalsContact N-OG 3.13Å; L425-S429 PolarHBondContact O-N 3Å; L425-S429 PolarHBondContact O-OG 2.89Å; Y426-S429 WeakPolarHBondContact O-CB 3.21Å; Y426-S429 PolarHBondContact O-N 2.8Å; S429-E432 PolarHBondContact O-N 3.5Å; S429-Y433 PolarHBondContact O-N 3.14Å
430C96.3Very high93.1Very high13 Ų1343.8 Ų43.89%0.08820%0.195CC..Hα-helixtrans-68.5-40.5176.8-160.60000112.5F391 Y426 H427 L428 E432 Y433 L434 Y456F391-C430 HydrophobicContact CD2-CB 4.17Å; F391-C430 VanDerWaalsContact CE2-CA 3.44Å; F391-C430 HydrophobicContact CE2-CB 3.55Å; F391-C430 HydrophobicContact CZ-CB 4.35Å; Y426-C430 WeakPolarHBondContact O-CB 3.31Å; Y426-C430 PolarHBondContact O-N 2.67Å; H427-C430 PolarHBondContact O-N 2.7Å; L428-C430 VanDerWaalsContact C-N 3.32Å; C430-E432 VanDerWaalsContact C-N 3.32Å; C430-Y433 WeakPolarHBondContact O-CB 3.48Å; C430-Y433 PolarHBondContact O-N 3.39Å; C430-L434 PolarHBondContact O-N 3.15Å; C430-Y456 VanDerWaalsContact SG-CD2 3.51Å
431R94.3Very high92.9Very high3 Ų345.2 Ų45.21%0.01121%0.208CC..Hα-helixtrans-59.9-44.5173.6-172.9-173.981-162.85.8111.2A48 D52 H427 L428 L434 R435 I445 V448 I450A48-R431 PolarHBondContact O-NH1 2.83Å; D52-R431 IonicContact OD1-CZ 2.74Å; D52-R431 IonicContact OD1-NH2 3.8Å; D52-R431 PolarHBondContact OD1-NH2 3.3Å; D52-R431 IonicContact OD2-CZ 3.47Å; D52-R431 IonicContact OD2-NH1 2.58Å; D52-R431 IonicContact OD2-NH2 2.78Å; D52-R431 PolarHBondContact OD2-NH2 3.18Å; D52-R431 VanDerWaalsContact OD2-NH2 3.14Å; H427-R431 PolarHBondContact O-N 3.01Å; L428-R431 PolarHBondContact O-N 3.24Å; R431-L434 WeakPolarHBondContact O-CB 3.34Å; R431-L434 PolarHBondContact O-N 3.15Å; R431-R435 PolarHBondContact O-N 3.36Å; R431-I445 HydrophobicContact CG-CD1 4.11Å; R431-I445 HydrophobicContact CG-CG1 3.66Å; R431-V448 WeakPolarHBondContact CD-O 3.31Å; R431-I450 HydrophobicContact CB-CD1 4.27Å
432E94.5Very high92.4Very high4 Ų447.3 Ų47.32%0.01922%0.219CC..Hα-helixtrans-65.1-39.8179.3-166.557.3-148.100112.4V413 T416 I417 R420 L428 S429 C430 L434 R435 G436V413-E432 HydrophobicContact CG1-CG 4.26Å; T416-E432 HydrophobicContact CG2-CG 3.96Å; I417-E432 HydrophobicContact CD1-CG 4.34Å; I417-E432 HydrophobicContact CG1-CB 3.7Å; I417-E432 HydrophobicContact CG1-CG 3.56Å; R420-E432 IonicContact CZ-OE2 3.61Å; R420-E432 IonicContact NH1-OE2 3.66Å; R420-E432 PolarHBondContact NH1-OE2 2.58Å; R420-E432 IonicContact NH2-OE2 2.79Å; L428-E432 VanDerWaalsContact O-CB 3.25Å; L428-E432 WeakPolarHBondContact O-CB 3.42Å; L428-E432 PolarHBondContact O-N 3.14Å; S429-E432 PolarHBondContact O-N 3.5Å; C430-E432 VanDerWaalsContact C-N 3.32Å; E432-L434 VanDerWaalsContact C-N 3.35Å; E432-L434 PolarHBondContact O-N 3.36Å; E432-R435 WeakPolarHBondContact O-CB 3.43Å; E432-R435 PolarHBondContact O-N 3.16Å; E432-R435 IonicContact OE1-CZ 2.61Å; E432-R435 IonicContact OE1-NE 3.39Å; E432-R435 PolarHBondContact OE1-NE 2.76Å; E432-R435 IonicContact OE1-NH2 3.44Å; E432-R435 PolarHBondContact OE1-NH2 2.74Å; E432-R435 IonicContact OE2-NE 3.54Å; E432-R435 PolarHBondContact OE2-NE 3.23Å; E432-G436 PolarHBondContact O-N 3.45Å
433Y96.3Very high91.8Very high32 Ų3245.8 Ų45.813%0.12522%0.218CC..Hα-helixtrans-58.9-45.4171178.4-90.5000111.8P292 L403 L409 I417 S429 C430 G436 M437 Y456P292-Y433 HydrophobicContact CG-CD1 3.42Å; P292-Y433 VanDerWaalsContact CG-CD1 3.42Å; P292-Y433 HydrophobicContact CG-CD2 3.95Å; P292-Y433 HydrophobicContact CG-CE1 3.49Å; P292-Y433 VanDerWaalsContact CG-CE1 3.49Å; P292-Y433 HydrophobicContact CG-CE2 4.02Å; P292-Y433 HydrophobicContact CG-CG 3.65Å; L403-Y433 HydrophobicContact CD2-CD2 3.65Å; L403-Y433 HydrophobicContact CD2-CE2 3.87Å; L409-Y433 HydrophobicContact CD1-CD2 3.84Å; L409-Y433 HydrophobicContact CD1-CE2 3.95Å; I417-Y433 HydrophobicContact CD1-CD2 4.47Å; S429-Y433 PolarHBondContact O-N 3.14Å; C430-Y433 WeakPolarHBondContact O-CB 3.48Å; C430-Y433 PolarHBondContact O-N 3.39Å; Y433-G436 PolarHBondContact O-N 3.35Å; Y433-M437 HydrophobicContact CD1-CG 3.95Å; Y433-M437 HydrophobicContact CD2-CG 4.19Å; Y433-M437 HydrophobicContact CE1-CG 3.56Å; Y433-M437 HydrophobicContact CE2-CG 3.83Å; Y433-M437 HydrophobicContact CE2-SD 4.13Å; Y433-M437 HydrophobicContact CG-CG 4.26Å; Y433-M437 VanDerWaalsContact CZ-CG 3.5Å; Y433-M437 VanDerWaalsContact O-CB 3.3Å; Y433-M437 WeakPolarHBondContact O-CB 3.36Å; Y433-M437 WeakPolarHBondContact O-CG 3.47Å; Y433-M437 PolarHBondContact O-N 3.32Å; Y433-Y456 HydrophobicContact CD1-CE2 4.33Å; Y433-Y456 WeakPolarHBondContact CD1-OH 3.35Å; Y433-Y456 WeakPolarHBondContact CE1-OH 3.31Å
434L95.7Very high91.6Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-59.6-48176.1-178.461.9000111.4C430 R431 E432 G436 M437 L438 I445 I450 Y456 A460C430-L434 PolarHBondContact O-N 3.15Å; R431-L434 WeakPolarHBondContact O-CB 3.34Å; R431-L434 PolarHBondContact O-N 3.15Å; E432-L434 VanDerWaalsContact C-N 3.35Å; E432-L434 PolarHBondContact O-N 3.36Å; L434-G436 PolarHBondContact O-N 3.07Å; L434-M437 PolarHBondContact O-N 2.97Å; L434-L438 HydrophobicContact CD1-CD1 3.52Å; L434-L438 HydrophobicContact CD1-CG 3.97Å; L434-L438 HydrophobicContact CG-CD1 4.31Å; L434-L438 WeakPolarHBondContact O-CB 3.31Å; L434-L438 PolarHBondContact O-N 3.32Å; L434-I445 HydrophobicContact CD2-CD1 3.99Å; L434-I445 HydrophobicContact CG-CD1 4.24Å; L434-I450 HydrophobicContact CB-CD1 4.47Å; L434-I450 HydrophobicContact CD2-CD1 3.96Å; L434-Y456 HydrophobicContact CB-CD2 4.49Å; L434-Y456 HydrophobicContact CB-CE2 3.69Å; L434-Y456 HydrophobicContact CD1-CE1 4.09Å; L434-Y456 HydrophobicContact CD1-CE2 4.1Å; L434-Y456 WeakPolarHBondContact CD1-OH 3.45Å; L434-Y456 HydrophobicContact CD2-CE2 4.48Å; L434-Y456 HydrophobicContact CG-CE2 4.3Å; L434-A460 HydrophobicContact CD1-CB 3.64Å
435R94.5Very high91.5Very high45 Ų4537.5 Ų37.517%0.1719%0.189CC..Hα-helixtrans-54.4-52.1177.5-172.2-174.177.695.9-11.4111.4R431 E432 K439 L440 I445R431-R435 PolarHBondContact O-N 3.36Å; E432-R435 WeakPolarHBondContact O-CB 3.43Å; E432-R435 PolarHBondContact O-N 3.16Å; E432-R435 IonicContact OE1-CZ 2.61Å; E432-R435 IonicContact OE1-NE 3.39Å; E432-R435 PolarHBondContact OE1-NE 2.76Å; E432-R435 IonicContact OE1-NH2 3.44Å; E432-R435 PolarHBondContact OE1-NH2 2.74Å; E432-R435 IonicContact OE2-NE 3.54Å; E432-R435 PolarHBondContact OE2-NE 3.23Å; R435-K439 WeakPolarHBondContact O-CA 3.47Å; R435-K439 PolarHBondContact O-N 3.02Å; R435-L440 HydrophobicContact CG-CB 4.17Å; R435-L440 WeakPolarHBondContact CG-O 3.46Å; R435-L440 PolarHBondContact O-N 2.97Å; R435-I445 HydrophobicContact CB-CB 4.4Å; R435-I445 HydrophobicContact CB-CG1 4.14Å; R435-I445 HydrophobicContact CB-CG2 4.43Å; R435-I445 HydrophobicContact CG-CB 4.25Å; R435-I445 HydrophobicContact CG-CG2 3.98Å
436G94.6Very high91Very high10 Ų1036.6 Ų36.610%0.10319%0.185CC..Hα-helixtrans-65.2-44.7-179.600000113L409 E432 Y433 L434 L438 K439L409-G436 VanDerWaalsContact CD2-C 3.5Å; E432-G436 PolarHBondContact O-N 3.45Å; Y433-G436 PolarHBondContact O-N 3.35Å; L434-G436 PolarHBondContact O-N 3.07Å; G436-L438 VanDerWaalsContact C-N 3.34Å; G436-L438 PolarHBondContact O-N 3.37Å; G436-K439 PolarHBondContact O-N 2.94Å
437M94.1Very high90.1Very high24 Ų2435.7 Ų35.712%0.11819%0.189CC..Hα-helixtrans-66-36-177.9-74.3-62.1-69.100113P287 R408 L409 Y433 L434P287-M437 HydrophobicContact CB-CE 4.05Å; R408-M437 HydrophobicContact CB-CE 4.44Å; R408-M437 HydrophobicContact CB-SD 4Å; L409-M437 HydrophobicContact CD1-SD 4.48Å; L409-M437 HydrophobicContact CD2-CG 3.96Å; L409-M437 HydrophobicContact CD2-SD 3.9Å; L409-M437 HydrophobicContact CG-SD 3.99Å; Y433-M437 HydrophobicContact CD1-CG 3.95Å; Y433-M437 HydrophobicContact CD2-CG 4.19Å; Y433-M437 HydrophobicContact CE1-CG 3.56Å; Y433-M437 HydrophobicContact CE2-CG 3.83Å; Y433-M437 HydrophobicContact CE2-SD 4.13Å; Y433-M437 HydrophobicContact CG-CG 4.26Å; Y433-M437 VanDerWaalsContact CZ-CG 3.5Å; Y433-M437 VanDerWaalsContact O-CB 3.3Å; Y433-M437 WeakPolarHBondContact O-CB 3.36Å; Y433-M437 WeakPolarHBondContact O-CG 3.47Å; Y433-M437 PolarHBondContact O-N 3.32Å; L434-M437 PolarHBondContact O-N 2.97Å
438L93.4Very high89.8Confident22 Ų2234 Ų3412%0.11518%0.183CC..Hα-helixtrans-94.72.7178.3-62.3-171.6000113.3L434 G436 L440 A460 I463 L464L434-L438 HydrophobicContact CD1-CD1 3.52Å; L434-L438 HydrophobicContact CD1-CG 3.97Å; L434-L438 HydrophobicContact CG-CD1 4.31Å; L434-L438 WeakPolarHBondContact O-CB 3.31Å; L434-L438 PolarHBondContact O-N 3.32Å; G436-L438 VanDerWaalsContact C-N 3.34Å; G436-L438 PolarHBondContact O-N 3.37Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 HydrophobicContact CB-CD1 3.94Å; L438-L440 HydrophobicContact CB-CD2 4.1Å; L438-L440 HydrophobicContact CB-CG 3.72Å; L438-L440 HydrophobicContact CD1-CD1 4.36Å; L438-L440 PolarHBondContact O-N 3.46Å; L438-A460 HydrophobicContact CD1-CB 4.35Å; L438-I463 HydrophobicContact CD1-CB 4.23Å; L438-I463 HydrophobicContact CD1-CG2 3.94Å; L438-L464 HydrophobicContact CD1-CG 4.31Å; L438-L464 HydrophobicContact CD2-CD1 4.03Å; L438-L464 HydrophobicContact CD2-CD2 3.79Å; L438-L464 HydrophobicContact CD2-CG 3.92Å
439K91.7Very high89.4Confident183 Ų18336.2 Ų36.280%0.79620%0.197SC*.THydrogen-bonded Turntrans51.344.5-178.9-59-175.9177.7-175.90113.2R435 G436R435-K439 WeakPolarHBondContact O-CA 3.47Å; R435-K439 PolarHBondContact O-N 3.02Å; G436-K439 PolarHBondContact O-N 2.94Å
440L90.7Very high89.1Confident13 Ų1336.4 Ų36.47%0.06820%0.197CC..  trans-82146.9-177.4-58.4172.9000111.2R435 L438 D444 I445 I463R435-L440 HydrophobicContact CG-CB 4.17Å; R435-L440 WeakPolarHBondContact CG-O 3.46Å; R435-L440 PolarHBondContact O-N 2.97Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 HydrophobicContact CB-CD1 3.94Å; L438-L440 HydrophobicContact CB-CD2 4.1Å; L438-L440 HydrophobicContact CB-CG 3.72Å; L438-L440 HydrophobicContact CD1-CD1 4.36Å; L438-L440 PolarHBondContact O-N 3.46Å; L440-D444 HydrophobicContact CB-CB 4.07Å; L440-D444 HydrophobicContact CD2-CB 4.32Å; L440-I445 HydrophobicContact CD1-CD1 4Å; L440-I463 HydrophobicContact CD1-CD1 3.83Å; L440-I463 HydrophobicContact CD1-CG2 4.05Å; L440-I463 HydrophobicContact CD2-CG2 3.54Å; L440-I463 HydrophobicContact CG-CG2 4.4Å
441S88.9Confident88.7Confident50 Ų5037 Ų3735%0.3520%0.199SC..  trans-68.6167.2167.472.50000110.6D443 D444 I445S441-D443 PolarHBondContact O-N 3.25Å; S441-D443 PolarHBondContact OG-N 3.28Å; S441-D444 WeakPolarHBondContact CB-OD2 3.33Å; S441-D444 PolarHBondContact N-OD2 3.32Å; S441-D444 PolarHBondContact O-N 3.07Å; S441-D444 PolarHBondContact OG-N 2.69Å; S441-D444 VanDerWaalsContact OG-N 3.15Å; S441-D444 PolarHBondContact OG-OD2 3.4Å; S441-I445 PolarHBondContact O-N 2.98Å
442V84.6Confident88.7Confident56 Ų5637 Ų3734%0.33920%0.199SC..Hα-helixtrans-61.5-39.2174.2178.60000110.1D52 D444 I445 S446D52-V442 HydrophobicContact CB-CG1 3.71Å; V442-D444 PolarHBondContact O-N 3.01Å; V442-I445 WeakPolarHBondContact O-CG2 3.49Å; V442-I445 PolarHBondContact O-N 3.49Å; V442-S446 WeakPolarHBondContact O-CB 3.41Å; V442-S446 PolarHBondContact O-N 3.07Å
443D82.5Confident88.7Confident104 Ų10437 Ų3756%0.55620%0.199SC*.Hα-helixtrans-67-37.1179.7-62.8-41.1000112.9Y53 S441 S446Y53-D443 PolarHBondContact OH-OD1 2.67Å; S441-D443 PolarHBondContact O-N 3.25Å; S441-D443 PolarHBondContact OG-N 3.28Å; D443-S446 WeakPolarHBondContact O-CB 3.21Å; D443-S446 PolarHBondContact O-N 3.07Å
444D85.5Confident88.7Confident100 Ų10035.5 Ų35.554%0.53519%0.194SC..Hα-helixtrans-68.7-35.7-179.6-65.5-44.9000113L440 S441 V442L440-D444 HydrophobicContact CB-CB 4.07Å; L440-D444 HydrophobicContact CD2-CB 4.32Å; S441-D444 WeakPolarHBondContact CB-OD2 3.33Å; S441-D444 PolarHBondContact N-OD2 3.32Å; S441-D444 PolarHBondContact O-N 3.07Å; S441-D444 PolarHBondContact OG-N 2.69Å; S441-D444 VanDerWaalsContact OG-N 3.15Å; S441-D444 PolarHBondContact OG-OD2 3.4Å; V442-D444 PolarHBondContact O-N 3.01Å
445I86Confident88.6Confident0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-87.4-15.2177.9-162.968.1000112.2R431 L434 R435 L440 S441 V442 G447 V448R431-I445 HydrophobicContact CG-CD1 4.11Å; R431-I445 HydrophobicContact CG-CG1 3.66Å; L434-I445 HydrophobicContact CD2-CD1 3.99Å; L434-I445 HydrophobicContact CG-CD1 4.24Å; R435-I445 HydrophobicContact CB-CB 4.4Å; R435-I445 HydrophobicContact CB-CG1 4.14Å; R435-I445 HydrophobicContact CB-CG2 4.43Å; R435-I445 HydrophobicContact CG-CB 4.25Å; R435-I445 HydrophobicContact CG-CG2 3.98Å; L440-I445 HydrophobicContact CD1-CD1 4Å; S441-I445 PolarHBondContact O-N 2.98Å; V442-I445 WeakPolarHBondContact O-CG2 3.49Å; V442-I445 PolarHBondContact O-N 3.49Å; I445-G447 PolarHBondContact O-N 2.86Å; I445-V448 HydrophobicContact CD1-CB 4.05Å; I445-V448 HydrophobicContact CD1-CG1 4.27Å; I445-V448 HydrophobicContact CD1-CG2 4.23Å; I445-V448 HydrophobicContact CG1-CB 4.42Å; I445-V448 VanDerWaalsContact O-CB 3.24Å; I445-V448 WeakPolarHBondContact O-CB 3.4Å; I445-V448 WeakPolarHBondContact O-CG2 3.08Å; I445-V448 PolarHBondContact O-N 3.1Å
446S79Confident88.6Confident10 Ų1034.5 Ų34.57%0.0719%0.191CC..THydrogen-bonded Turntrans-63.4126-174177.30000111.6Y53 K63 V442 D443Y53-S446 WeakPolarHBondContact CE2-OG 3.39Å; Y53-S446 WeakPolarHBondContact OH-CB 3.49Å; Y53-S446 PolarHBondContact OH-OG 2.94Å; K63-S446 VanDerWaalsContact CD-OG 3.24Å; K63-S446 WeakPolarHBondContact CD-OG 3.23Å; K63-S446 WeakPolarHBondContact CE-OG 3.37Å; K63-S446 PolarHBondContact NZ-O 3.22Å; K63-S446 PolarHBondContact NZ-OG 2.95Å; V442-S446 WeakPolarHBondContact O-CB 3.41Å; V442-S446 PolarHBondContact O-N 3.07Å; D443-S446 WeakPolarHBondContact O-CB 3.21Å; D443-S446 PolarHBondContact O-N 3.07Å
447G74.5Confident88.7Confident25 Ų2534.1 Ų34.126%0.25819%0.186SC..THydrogen-bonded Turntrans90.2-12.4-173.300000114.7E67 I445 T449E67-G447 WeakPolarHBondContact OE2-CA 3.45Å; I445-G447 PolarHBondContact O-N 2.86Å; G447-T449 PolarHBondContact O-N 3Å
448V83.3Confident88.7Confident18 Ų1833.9 Ų33.911%0.10919%0.185CC..  trans-72.6114.1173.8-179.30000109.3R431 I445 I450 E459R431-V448 WeakPolarHBondContact CD-O 3.31Å; I445-V448 HydrophobicContact CD1-CB 4.05Å; I445-V448 HydrophobicContact CD1-CG1 4.27Å; I445-V448 HydrophobicContact CD1-CG2 4.23Å; I445-V448 HydrophobicContact CG1-CB 4.42Å; I445-V448 VanDerWaalsContact O-CB 3.24Å; I445-V448 WeakPolarHBondContact O-CB 3.4Å; I445-V448 WeakPolarHBondContact O-CG2 3.08Å; I445-V448 PolarHBondContact O-N 3.1Å; V448-I450 HydrophobicContact CG1-CG1 4.18Å; V448-E459 HydrophobicContact CG1-CB 4.33Å; V448-E459 HydrophobicContact CG1-CG 4.14Å
449T82.8Confident88.6Confident49 Ų4935 Ų3530%0.30119%0.19SC..  trans-109.3137.9173.456.20000109.7A48 G447 Q455A48-T449 HydrophobicContact CB-CG2 4.48Å; G447-T449 PolarHBondContact O-N 3Å; T449-Q455 VanDerWaalsContact O-CD 3.23Å; T449-Q455 PolarHBondContact O-NE2 3.24Å; T449-Q455 PolarHBondContact O-OE1 3.06Å
450I88.9Confident88.7Confident3 Ų326.3 Ų26.32%0.01515%0.152CC..  trans-120.6104.4-175.5-53.4-176000109.2H427 R431 L434 V448 Y456H427-I450 WeakPolarHBondContact CB-O 3.47Å; R431-I450 HydrophobicContact CB-CD1 4.27Å; L434-I450 HydrophobicContact CB-CD1 4.47Å; L434-I450 HydrophobicContact CD2-CD1 3.96Å; V448-I450 HydrophobicContact CG1-CG1 4.18Å; I450-Y456 HydrophobicContact CD1-CD2 3.61Å; I450-Y456 HydrophobicContact CD1-CE2 4.27Å; I450-Y456 HydrophobicContact CD1-CG 4.41Å; I450-Y456 HydrophobicContact CG2-CD2 4.24Å
451H87.9Confident88.8Confident26 Ų2628.4 Ų28.412%0.1216%0.159CC..  trans-114-6.7177.1-63.8-47.9000113.1Y260 C372Y260-H451 HydrophobicContact CD2-CB 4.02Å; Y260-H451 HydrophobicContact CE2-CB 3.67Å; Y260-H451 VanDerWaalsContact CE2-O 3.22Å; Y260-H451 WeakPolarHBondContact CE2-O 3.16Å; C372-H451 WeakPolarHBondContact CB-O 3.44Å; C372-H451 PolarHBondContact N-O 3.33Å; C372-H451 PolarHBondContact SG-O 3.12Å; C372-H451 VanDerWaalsContact SG-O 3.34Å
452H92.7Very high88.9Confident4 Ų432.5 Ų32.52%0.01917%0.17CC..SBendtrans-142.9141.3-178.2-159.1-81.9000111.8Y260 Y265 P369 Y370 S371 N454 Q455 Y456Y260-H452 HydrophobicContact CE2-CB 3.93Å; Y260-H452 AromaticContact CZ-CD2 3.72Å; Y260-H452 VanDerWaalsContact OH-CB 3.29Å; Y260-H452 WeakPolarHBondContact OH-CB 3.49Å; Y260-H452 PolarHBondContact OH-CD2 3.33Å; Y265-H452 HydrophobicContact CD2-CB 4.28Å; Y265-H452 AromaticContact CD2-CD2 3.68Å; Y265-H452 AromaticContact CD2-CE1 3.53Å; Y265-H452 AromaticContact CD2-CG 3.54Å; Y265-H452 AromaticContact CD2-ND1 3.41Å; Y265-H452 WeakPolarHBondContact CD2-ND1 3.31Å; Y265-H452 AromaticContact CD2-NE2 3.72Å; Y265-H452 HydrophobicContact CE2-CB 3.77Å; Y265-H452 AromaticContact CE2-CG 3.52Å; Y265-H452 AromaticContact CE2-ND1 3.52Å; Y265-H452 AromaticContact CG-CE1 3.97Å; P369-H452 VanDerWaalsContact CB-CE1 3.45Å; P369-H452 WeakPolarHBondContact CB-CE1 3.32Å; P369-H452 PolarHBondContact O-NE2 2.98Å; Y370-H452 PolarHBondContact O-NE2 3.06Å; S371-H452 VanDerWaalsContact CA-CD2 3.48Å; S371-H452 WeakPolarHBondContact CA-CD2 3.44Å; H452-N454 VanDerWaalsContact C-N 3.31Å; H452-N454 PolarHBondContact CE1-OD1 3.01Å; H452-N454 WeakPolarHBondContact ND1-CB 3.23Å; H452-N454 PolarHBondContact ND1-N 3.25Å; H452-N454 PolarHBondContact ND1-OD1 3.1Å; H452-N454 PolarHBondContact O-N 3.49Å; H452-Q455 HydrophobicContact CB-CB 3.83Å; H452-Q455 WeakPolarHBondContact O-CB 3.28Å; H452-Q455 PolarHBondContact O-N 3.38Å; H452-Q455 VanDerWaalsContact O-N 3.11Å; H452-Y456 PolarHBondContact O-N 2.74Å
453P96.1Very high89.2Confident2 Ų231.1 Ų31.11%0.01316%0.161CC..Hα-helixtrans-59.4-38174.5-2534.9000113.6P291 M294 F318 Y370 I375 Y456 F457P291-P453 HydrophobicContact CG-CB 3.94Å; M294-P453 HydrophobicContact CE-CB 3.73Å; M294-P453 HydrophobicContact CE-CG 3.76Å; M294-P453 HydrophobicContact CG-CB 4.3Å; F318-P453 HydrophobicContact CD2-CB 3.9Å; F318-P453 HydrophobicContact CE2-CB 4.28Å; Y370-P453 WeakPolarHBondContact O-CD 3.15Å; I375-P453 HydrophobicContact CD1-CG 3.57Å; P453-Y456 WeakPolarHBondContact O-CB 3.38Å; P453-Y456 PolarHBondContact O-N 2.9Å; P453-F457 PolarHBondContact O-N 3.3Å; P453-F457 VanDerWaalsContact O-N 3.13Å
454N95.2Very high89.6Confident2 Ų227.8 Ų27.81%0.01114%0.143CC..Hα-helixtrans-67.2-35.1173.6-63.780.9000112.8Y265 F318 G321 I322 H452 F457 E458Y265-N454 HydrophobicContact CD1-CB 3.58Å; Y265-N454 HydrophobicContact CD2-CB 4.22Å; Y265-N454 HydrophobicContact CE1-CB 3.46Å; Y265-N454 VanDerWaalsContact CE1-CB 3.46Å; Y265-N454 HydrophobicContact CE2-CB 4.11Å; Y265-N454 HydrophobicContact CG-CB 3.98Å; F318-N454 WeakPolarHBondContact CD2-OD1 3.3Å; F318-N454 PolarHBondContact O-ND2 3.18Å; G321-N454 VanDerWaalsContact CA-ND2 3.33Å; G321-N454 WeakPolarHBondContact CA-ND2 3.26Å; I322-N454 VanDerWaalsContact CG2-ND2 3.34Å; I322-N454 WeakPolarHBondContact CG2-ND2 3.46Å; I322-N454 PolarHBondContact N-ND2 3.07Å; H452-N454 VanDerWaalsContact C-N 3.31Å; H452-N454 PolarHBondContact CE1-OD1 3.01Å; H452-N454 WeakPolarHBondContact ND1-CB 3.23Å; H452-N454 PolarHBondContact ND1-N 3.25Å; H452-N454 PolarHBondContact ND1-OD1 3.1Å; H452-N454 PolarHBondContact O-N 3.49Å; N454-F457 PolarHBondContact O-N 3.49Å; N454-E458 WeakPolarHBondContact O-CG 3.49Å; N454-E458 PolarHBondContact O-N 3.24Å
455Q93.3Very high89.6Confident23 Ų2327.3 Ų27.311%0.10714%0.137CC..Hα-helixtrans-63.8-44.1173.5-171.5-170.312.600111.3Y265 T449 H452 F457 E458 E459Y265-Q455 HydrophobicContact CE2-CB 4.29Å; Y265-Q455 WeakPolarHBondContact OH-CA 3.3Å; Y265-Q455 VanDerWaalsContact OH-CB 3.24Å; Y265-Q455 WeakPolarHBondContact OH-CB 3.42Å; Y265-Q455 PolarHBondContact OH-N 3.12Å; Y265-Q455 VanDerWaalsContact OH-N 3.09Å; T449-Q455 VanDerWaalsContact O-CD 3.23Å; T449-Q455 PolarHBondContact O-NE2 3.24Å; T449-Q455 PolarHBondContact O-OE1 3.06Å; H452-Q455 HydrophobicContact CB-CB 3.83Å; H452-Q455 WeakPolarHBondContact O-CB 3.28Å; H452-Q455 PolarHBondContact O-N 3.38Å; H452-Q455 VanDerWaalsContact O-N 3.11Å; Q455-F457 VanDerWaalsContact C-N 3.25Å; Q455-F457 PolarHBondContact O-N 3.15Å; Q455-E458 PolarHBondContact O-N 2.81Å; Q455-E459 WeakPolarHBondContact O-CG 3.46Å; Q455-E459 PolarHBondContact O-N 2.92Å
456Y96.1Very high89.4Confident0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-52.3-48.8172.1177-72.8000110.8G288 L289 P291 C430 Y433 L434 I450 H452 P453 E459 A460G288-Y456 WeakPolarHBondContact O-CE1 3.47Å; G288-Y456 PolarHBondContact O-OH 3.03Å; L289-Y456 WeakPolarHBondContact O-CE1 3.44Å; P291-Y456 HydrophobicContact CB-CD1 3.64Å; P291-Y456 HydrophobicContact CB-CD2 3.96Å; P291-Y456 HydrophobicContact CB-CE1 4.05Å; P291-Y456 HydrophobicContact CB-CE2 4.31Å; P291-Y456 HydrophobicContact CB-CG 3.65Å; P291-Y456 HydrophobicContact CG-CD1 4.03Å; P291-Y456 HydrophobicContact CG-CG 4.28Å; C430-Y456 VanDerWaalsContact SG-CD2 3.51Å; Y433-Y456 HydrophobicContact CD1-CE2 4.33Å; Y433-Y456 WeakPolarHBondContact CD1-OH 3.35Å; Y433-Y456 WeakPolarHBondContact CE1-OH 3.31Å; L434-Y456 HydrophobicContact CB-CD2 4.49Å; L434-Y456 HydrophobicContact CB-CE2 3.69Å; L434-Y456 HydrophobicContact CD1-CE1 4.09Å; L434-Y456 HydrophobicContact CD1-CE2 4.1Å; L434-Y456 WeakPolarHBondContact CD1-OH 3.45Å; L434-Y456 HydrophobicContact CD2-CE2 4.48Å; L434-Y456 HydrophobicContact CG-CE2 4.3Å; I450-Y456 HydrophobicContact CD1-CD2 3.61Å; I450-Y456 HydrophobicContact CD1-CE2 4.27Å; I450-Y456 HydrophobicContact CD1-CG 4.41Å; I450-Y456 HydrophobicContact CG2-CD2 4.24Å; H452-Y456 PolarHBondContact O-N 2.74Å; P453-Y456 WeakPolarHBondContact O-CB 3.38Å; P453-Y456 PolarHBondContact O-N 2.9Å; Y456-E459 PolarHBondContact O-N 2.74Å; Y456-A460 HydrophobicContact CD1-CB 4.43Å; Y456-A460 HydrophobicContact CE1-CB 4.18Å; Y456-A460 VanDerWaalsContact O-CB 3.23Å; Y456-A460 WeakPolarHBondContact O-CB 3.46Å; Y456-A460 PolarHBondContact O-N 3.02Å
457F95.8Very high89Confident2 Ų232.3 Ų32.31%0.00917%0.17CC..Hα-helixtrans-65.7-40.5-177.2175.1-97000112.3T272 F283 L289 F290 F318 I322 P453 N454 Q455 R461T272-F457 HydrophobicContact CG2-CD1 4.44Å; T272-F457 HydrophobicContact CG2-CE1 3.48Å; T272-F457 VanDerWaalsContact CG2-CE1 3.48Å; T272-F457 HydrophobicContact CG2-CZ 4.19Å; F283-F457 HydrophobicContact CB-CE2 4.37Å; F283-F457 HydrophobicContact CD2-CE2 4.47Å; F283-F457 HydrophobicContact CD2-CZ 4.17Å; F283-F457 HydrophobicContact CE2-CZ 4.39Å; F283-F457 HydrophobicContact CG-CE2 4.36Å; F283-F457 HydrophobicContact CG-CZ 4.37Å; L289-F457 HydrophobicContact CD1-CD2 3.71Å; L289-F457 HydrophobicContact CD1-CE2 3.69Å; L289-F457 HydrophobicContact CD1-CZ 4.47Å; L289-F457 HydrophobicContact CD2-CD2 4.4Å; L289-F457 HydrophobicContact CD2-CE2 3.69Å; L289-F457 HydrophobicContact CD2-CZ 4.44Å; L289-F457 HydrophobicContact CG-CD2 3.69Å; L289-F457 HydrophobicContact CG-CE2 3.48Å; L289-F457 VanDerWaalsContact CG-CE2 3.48Å; L289-F457 WeakPolarHBondContact O-CD2 3.35Å; F290-F457 AromaticContact CD1-CD2 3.87Å; F290-F457 HydrophobicContact CD1-CD2 3.87Å; F290-F457 AromaticContact CD1-CE2 3.97Å; F290-F457 HydrophobicContact CD1-CE2 3.97Å; F290-F457 HydrophobicContact CE1-CD2 4.04Å; F290-F457 AromaticContact CE1-CE2 3.75Å; F290-F457 HydrophobicContact CE1-CE2 3.75Å; F318-F457 HydrophobicContact CE2-CB 4.1Å; F318-F457 HydrophobicContact CZ-CB 4.22Å; F318-F457 HydrophobicContact CZ-CD2 4.3Å; F318-F457 HydrophobicContact CZ-CG 4.34Å; I322-F457 HydrophobicContact CB-CD1 4.11Å; I322-F457 HydrophobicContact CB-CE1 3.75Å; I322-F457 HydrophobicContact CB-CZ 4.3Å; I322-F457 HydrophobicContact CD1-CZ 4.44Å; I322-F457 HydrophobicContact CG2-CB 4.48Å; I322-F457 HydrophobicContact CG2-CD1 3.47Å; I322-F457 VanDerWaalsContact CG2-CD1 3.47Å; I322-F457 HydrophobicContact CG2-CD2 4.44Å; I322-F457 HydrophobicContact CG2-CE1 3.61Å; I322-F457 HydrophobicContact CG2-CG 3.9Å; I322-F457 HydrophobicContact CG2-CZ 4.2Å; P453-F457 PolarHBondContact O-N 3.3Å; P453-F457 VanDerWaalsContact O-N 3.13Å; N454-F457 PolarHBondContact O-N 3.49Å; Q455-F457 VanDerWaalsContact C-N 3.25Å; Q455-F457 PolarHBondContact O-N 3.15Å; F457-R461 VanDerWaalsContact O-CB 3.28Å; F457-R461 WeakPolarHBondContact O-CB 3.4Å; F457-R461 PolarHBondContact O-N 3.04Å
458E93.2Very high88.7Confident20 Ų2037.6 Ų37.69%0.09319%0.186CC..Hα-helixtrans-62.8-48175.1-72.8179161.400111.8Y265 K268 V271 N454 Q455 R461 K462Y265-E458 WeakPolarHBondContact CE1-OE1 3.44Å; Y265-E458 PolarHBondContact OH-OE2 2.87Å; K268-E458 IonicContact NZ-OE1 3.41Å; K268-E458 PolarHBondContact NZ-OE1 2.76Å; K268-E458 IonicContact NZ-OE2 3.72Å; K268-E458 PolarHBondContact NZ-OE2 3.29Å; V271-E458 HydrophobicContact CB-CG 4.2Å; V271-E458 HydrophobicContact CG2-CG 4.07Å; V271-E458 WeakPolarHBondContact CG2-OE1 3.48Å; N454-E458 WeakPolarHBondContact O-CG 3.49Å; N454-E458 PolarHBondContact O-N 3.24Å; Q455-E458 PolarHBondContact O-N 2.81Å; E458-R461 PolarHBondContact O-N 3.44Å; E458-K462 WeakPolarHBondContact O-CB 3.5Å; E458-K462 PolarHBondContact O-N 2.96Å
459E92Very high87.5Confident46 Ų4641.8 Ų41.822%0.21521%0.208CC..Hα-helixtrans-64.6-45.3178-68.9-58.815700111.5V448 Q455 Y456 R461 K462 I463V448-E459 HydrophobicContact CG1-CB 4.33Å; V448-E459 HydrophobicContact CG1-CG 4.14Å; Q455-E459 WeakPolarHBondContact O-CG 3.46Å; Q455-E459 PolarHBondContact O-N 2.92Å; Y456-E459 PolarHBondContact O-N 2.74Å; E459-R461 VanDerWaalsContact C-N 3.3Å; E459-R461 PolarHBondContact O-N 3.47Å; E459-K462 PolarHBondContact O-N 3.03Å; E459-I463 WeakPolarHBondContact O-CB 3.28Å; E459-I463 WeakPolarHBondContact O-CD1 3.43Å; E459-I463 VanDerWaalsContact O-CG1 3.23Å; E459-I463 WeakPolarHBondContact O-CG1 3.35Å; E459-I463 PolarHBondContact O-N 2.93Å
460A94.4Very high86Confident0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-57.9-44.5175.800000111.4L289 L434 L438 Y456 L464L289-A460 HydrophobicContact CD1-CB 4.05Å; L434-A460 HydrophobicContact CD1-CB 3.64Å; L438-A460 HydrophobicContact CD1-CB 4.35Å; Y456-A460 HydrophobicContact CD1-CB 4.43Å; Y456-A460 HydrophobicContact CE1-CB 4.18Å; Y456-A460 VanDerWaalsContact O-CB 3.23Å; Y456-A460 WeakPolarHBondContact O-CB 3.46Å; Y456-A460 PolarHBondContact O-N 3.02Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.12Å; A460-L464 VanDerWaalsContact O-CD1 3.28Å; A460-L464 WeakPolarHBondContact O-CD1 3.13Å; A460-L464 VanDerWaalsContact O-CG 3.23Å; A460-L464 WeakPolarHBondContact O-CG 3.39Å; A460-L464 PolarHBondContact O-N 2.85Å
461R92.6Very high84.1Confident56 Ų5649.7 Ų49.721%0.21126%0.255CS..Hα-helixtrans-65.8-44.3177.7-175.7173.8167.6154.2-11.7111.9L289 F457 E458 E459 I463 L464 Q465L289-R461 HydrophobicContact CD1-CB 3.97Å; F457-R461 VanDerWaalsContact O-CB 3.28Å; F457-R461 WeakPolarHBondContact O-CB 3.4Å; F457-R461 PolarHBondContact O-N 3.04Å; E458-R461 PolarHBondContact O-N 3.44Å; E459-R461 VanDerWaalsContact C-N 3.3Å; E459-R461 PolarHBondContact O-N 3.47Å; R461-I463 VanDerWaalsContact C-N 3.33Å; R461-I463 PolarHBondContact O-N 2.89Å; R461-L464 PolarHBondContact O-N 3.46Å; R461-Q465 HydrophobicContact CG-CG 4.31Å; R461-Q465 VanDerWaalsContact NE-NE2 3.16Å; R461-Q465 WeakPolarHBondContact O-CB 3.13Å; R461-Q465 VanDerWaalsContact O-CG 3.3Å; R461-Q465 WeakPolarHBondContact O-CG 3.31Å; R461-Q465 PolarHBondContact O-N 3.22Å
462K91Very high81.6Confident137 Ų13753.5 Ų53.560%0.59628%0.281SS*.Hα-helixtrans-57.8-46.3177.8179.7-176.9173.3-169.90111.1E458 E459 Q465 G466E458-K462 WeakPolarHBondContact O-CB 3.5Å; E458-K462 PolarHBondContact O-N 2.96Å; E459-K462 PolarHBondContact O-N 3.03Å; K462-Q465 PolarHBondContact O-N 3.4Å; K462-G466 PolarHBondContact O-N 3.19Å
463I91Very high78.7Confident26 Ų2658.5 Ų58.513%0.13331%0.311CS..Hα-helixtrans-64-46.5177.5-67.3164.8000110.9L438 L440 E459 R461 Q465 G466 N467L438-I463 HydrophobicContact CD1-CB 4.23Å; L438-I463 HydrophobicContact CD1-CG2 3.94Å; L440-I463 HydrophobicContact CD1-CD1 3.83Å; L440-I463 HydrophobicContact CD1-CG2 4.05Å; L440-I463 HydrophobicContact CD2-CG2 3.54Å; L440-I463 HydrophobicContact CG-CG2 4.4Å; E459-I463 WeakPolarHBondContact O-CB 3.28Å; E459-I463 WeakPolarHBondContact O-CD1 3.43Å; E459-I463 VanDerWaalsContact O-CG1 3.23Å; E459-I463 WeakPolarHBondContact O-CG1 3.35Å; E459-I463 PolarHBondContact O-N 2.93Å; R461-I463 VanDerWaalsContact C-N 3.33Å; R461-I463 PolarHBondContact O-N 2.89Å; I463-Q465 VanDerWaalsContact C-N 3.32Å; I463-Q465 PolarHBondContact O-N 2.95Å; I463-G466 PolarHBondContact O-N 3.07Å; I463-N467 PolarHBondContact O-N 2.93Å
464L89.9Confident75.5Confident35 Ų3564.5 Ų64.518%0.18334%0.343CS..Hα-helixtrans-63.2-35.5178.3-77.6161.1000113Q286 L289 L438 A460 R461 K468Q286-L464 HydrophobicContact CG-CD1 4.32Å; L289-L464 HydrophobicContact CB-CD1 4.39Å; L289-L464 HydrophobicContact CD1-CD1 4.19Å; L438-L464 HydrophobicContact CD1-CG 4.31Å; L438-L464 HydrophobicContact CD2-CD1 4.03Å; L438-L464 HydrophobicContact CD2-CD2 3.79Å; L438-L464 HydrophobicContact CD2-CG 3.92Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.12Å; A460-L464 VanDerWaalsContact O-CD1 3.28Å; A460-L464 WeakPolarHBondContact O-CD1 3.13Å; A460-L464 VanDerWaalsContact O-CG 3.23Å; A460-L464 WeakPolarHBondContact O-CG 3.39Å; A460-L464 PolarHBondContact O-N 2.85Å; R461-L464 PolarHBondContact O-N 3.46Å; L464-K468 WeakPolarHBondContact O-CG 3.46Å; L464-K468 PolarHBondContact O-N 3.45Å
465Q86.9Confident72.3Confident90 Ų9074.1 Ų74.142%0.42139%0.385SS..Hα-helixtrans-74-40.7174.7-72.9178.7-19.100111.9R461 K462 I463 N467 K468 N469R461-Q465 HydrophobicContact CG-CG 4.31Å; R461-Q465 VanDerWaalsContact NE-NE2 3.16Å; R461-Q465 WeakPolarHBondContact O-CB 3.13Å; R461-Q465 VanDerWaalsContact O-CG 3.3Å; R461-Q465 WeakPolarHBondContact O-CG 3.31Å; R461-Q465 PolarHBondContact O-N 3.22Å; K462-Q465 PolarHBondContact O-N 3.4Å; I463-Q465 VanDerWaalsContact C-N 3.32Å; I463-Q465 PolarHBondContact O-N 2.95Å; Q465-N467 VanDerWaalsContact C-N 3.34Å; Q465-N467 PolarHBondContact O-N 3.26Å; Q465-K468 WeakPolarHBondContact O-CB 3.15Å; Q465-K468 PolarHBondContact O-N 3.3Å; Q465-K468 VanDerWaalsContact O-N 3.15Å; Q465-N469 PolarHBondContact O-N 3Å
466G81.4Confident69.2Low29 Ų2979.2 Ų79.230%0.29941%0.412SS..Hα-helixtrans-58.8-43.9174.300000112.3K462 I463 K468 N469 N470K462-G466 PolarHBondContact O-N 3.19Å; I463-G466 PolarHBondContact O-N 3.07Å; G466-K468 VanDerWaalsContact C-N 3.29Å; G466-K468 PolarHBondContact O-N 3.08Å; G466-N469 PolarHBondContact O-N 3.18Å; G466-N470 PolarHBondContact O-N 3.28Å
467N71Confident65.9Low85 Ų8587.7 Ų87.746%0.45545%0.451SS..Hα-helixtrans-61.6-36.4175.3-74.8-2.1000112.5I463 Q465 S471I463-N467 PolarHBondContact O-N 2.93Å; Q465-N467 VanDerWaalsContact C-N 3.34Å; Q465-N467 PolarHBondContact O-N 3.26Å; N467-S471 PolarHBondContact O-N 2.83Å; N467-S471 VanDerWaalsContact O-N 3.14Å; N467-S471 PolarHBondContact O-OG 3.2Å
468K68.4Low62.7Low137 Ų13793.3 Ų93.360%0.59649%0.485SS*.Hα-helixtrans-66.1-45.5174.8-75.4-179.3179.8-174.70111.9L464 Q465 G466 N470 S471 T472L464-K468 WeakPolarHBondContact O-CG 3.46Å; L464-K468 PolarHBondContact O-N 3.45Å; Q465-K468 WeakPolarHBondContact O-CB 3.15Å; Q465-K468 PolarHBondContact O-N 3.3Å; Q465-K468 VanDerWaalsContact O-N 3.15Å; G466-K468 VanDerWaalsContact C-N 3.29Å; G466-K468 PolarHBondContact O-N 3.08Å; K468-N470 PolarHBondContact O-N 3.43Å; K468-S471 WeakPolarHBondContact CA-OG 3.35Å; K468-S471 PolarHBondContact O-N 2.88Å; K468-S471 VanDerWaalsContact O-N 3.16Å; K468-S471 PolarHBondContact O-OG 3.47Å; K468-T472 PolarHBondContact O-N 2.84Å; K468-T472 PolarHBondContact O-OG1 3.15Å
469N56.6Low59.7Low105 Ų105101.1 Ų101.156%0.56152%0.519SS*.Hα-helixtrans-64.8-40.8-179.7-70.7-0.6000111.6Q465 G466 S471 T472 V473Q465-N469 PolarHBondContact O-N 3Å; G466-N469 PolarHBondContact O-N 3.18Å; N469-S471 VanDerWaalsContact C-N 3.29Å; N469-S471 PolarHBondContact O-N 2.74Å; N469-T472 WeakPolarHBondContact CA-OG1 3.37Å; N469-T472 PolarHBondContact O-N 3.3Å; N469-T472 VanDerWaalsContact O-N 3.12Å; N469-T472 PolarHBondContact O-OG1 3.41Å; N469-V473 PolarHBondContact O-N 3.43Å; N469-V473 VanDerWaalsContact O-N 3.1Å
470N52.6Low56.7Low125 Ų125108.3 Ų108.367%0.66855%0.549SS*.Hα-helixtrans-65.5-29.1174.4-74.3-3.1000113G466 K468 T472G466-N470 PolarHBondContact O-N 3.28Å; K468-N470 PolarHBondContact O-N 3.43Å; N470-T472 VanDerWaalsContact C-N 3.32Å
471S47.2Very low53.5Low93 Ų93114.2 Ų114.265%0.6559%0.585SS**Hα-helixtrans-76.4-15.8173.348.90000114.5N467 K468 N469N467-S471 PolarHBondContact O-N 2.83Å; N467-S471 VanDerWaalsContact O-N 3.14Å; N467-S471 PolarHBondContact O-OG 3.2Å; K468-S471 WeakPolarHBondContact CA-OG 3.35Å; K468-S471 PolarHBondContact O-N 2.88Å; K468-S471 VanDerWaalsContact O-N 3.16Å; K468-S471 PolarHBondContact O-OG 3.47Å; N469-S471 VanDerWaalsContact C-N 3.29Å; N469-S471 PolarHBondContact O-N 2.74Å
472T35.7Very low50.4Low107 Ų107120.1 Ų120.166%0.65661%0.612SS**Hα-helixtrans-95-22.2174.834.90000114.3K468 N469 N470 D474K468-T472 PolarHBondContact O-N 2.84Å; K468-T472 PolarHBondContact O-OG1 3.15Å; N469-T472 WeakPolarHBondContact CA-OG1 3.37Å; N469-T472 PolarHBondContact O-N 3.3Å; N469-T472 VanDerWaalsContact O-N 3.12Å; N469-T472 PolarHBondContact O-OG1 3.41Å; N470-T472 VanDerWaalsContact C-N 3.32Å; T472-D474 VanDerWaalsContact C-N 3.32Å; T472-D474 PolarHBondContact O-N 3.03Å
473V33.4Very low47.4Very low108 Ų108120.9 Ų120.966%0.65562%0.622SS**SBendtrans-78.191.6171.1-179.30000107.4N469N469-V473 PolarHBondContact O-N 3.43Å; N469-V473 VanDerWaalsContact O-N 3.1Å
474D28.7Very low44.4Very low128 Ų128130.1 Ų130.168%0.68466%0.657SS**  trans25.7117.9170.4-70-40.4000117.2T472 I476T472-D474 VanDerWaalsContact C-N 3.32Å; T472-D474 PolarHBondContact O-N 3.03Å; D474-I476 HydrophobicContact CB-CG1 3.89Å; D474-I476 PolarHBondContact O-N 3.35Å
475K26.4Very low41.5Very low205 Ų205136 Ų13689%0.89169%0.689SS**  trans-54.275.8139.3-66.2176.2-179.5175.60108H477K475-H477 VanDerWaalsContact C-N 3.27Å; K475-H477 PolarHBondContact O-N 3.35Å
476I29.3Very low38.7Very low130 Ų130134.6 Ų134.667%0.66770%0.698SS**  trans-59.7106.5158.8-63.6177.4000102.8D474 V478D474-I476 HydrophobicContact CB-CG1 3.89Å; D474-I476 PolarHBondContact O-N 3.35Å; I476-V478 HydrophobicContact CG2-CG2 4.43Å; I476-V478 PolarHBondContact O-N 3Å
477H26.2Very low36.4Very low178 Ų178141 Ų14182%0.82473%0.725SS**  trans-56.690.6162.4-106.9-20.6000105.9K475 K479K475-H477 VanDerWaalsContact C-N 3.27Å; K475-H477 PolarHBondContact O-N 3.35Å; H477-K479 PolarHBondContact O-N 2.73Å
478V29.9Very low34.4Very low120 Ų120144.4 Ų144.473%0.72774%0.744SS**  trans-64.691.5156.2-177.60000103.4I476 K480I476-V478 HydrophobicContact CG2-CG2 4.43Å; I476-V478 PolarHBondContact O-N 3Å; V478-K480 PolarHBondContact O-N 3.19Å
479K29.2Very low32.7Very low183 Ų183145.6 Ų145.680%0.79676%0.756SS**  trans-48.2116.1159.2-85.4-178.6174.91770104.1H477 V481H477-K479 PolarHBondContact O-N 2.73Å; K479-V481 VanDerWaalsContact C-N 3.28Å; K479-V481 PolarHBondContact O-N 2.99Å
480K28.1Very low31.5Very low197 Ų197146.9 Ų146.986%0.85776%0.763SS**  trans-50.9103.2166.4-76.9-179.3174.5-179.40105.9V478 K482V478-K480 PolarHBondContact O-N 3.19Å; K480-K482 VanDerWaalsContact C-N 3.31Å; K480-K482 PolarHBondContact O-N 2.73Å
481V27.2Very low30.3Very low124 Ų124152.4 Ų152.475%0.75278%0.775SS**  trans-64.2105.2164.2176.30000103.2K479 L483K479-V481 VanDerWaalsContact C-N 3.28Å; K479-V481 PolarHBondContact O-N 2.99Å; V481-L483 PolarHBondContact O-N 3.04Å
482K28.2Very low29.4Very low180 Ų180154.4 Ų154.478%0.78378%0.777SS**  trans-58.8110.2163.2-77.9-176.2175-176.80104.7K480 Y484K480-K482 VanDerWaalsContact C-N 3.31Å; K480-K482 PolarHBondContact O-N 2.73Å; K482-Y484 PolarHBondContact O-N 2.81Å
483L28.5Very low28.9Very low153 Ų153156.8 Ų156.880%0.80179%0.785SS**  trans-57.6108.3164-74159.9000105.3V481 N485V481-L483 PolarHBondContact O-N 3.04Å; L483-N485 PolarHBondContact O-N 3.3Å
484Y27.4Very low28.5Very low221 Ų221161.3 Ų161.387%0.86780%0.799SS**  trans-61.3115.7163-92-96000105.8K482 G486K482-Y484 PolarHBondContact O-N 2.81Å; Y484-G486 PolarHBondContact O-N 3.09Å
485N30.1Very low28.4Very low159 Ų159159.8 Ų159.885%0.8581%0.805SS**  trans-69.286.4158.6-70-9.8000105.6L483L483-N485 PolarHBondContact O-N 3.3Å
486G27.8Very low28.5Very low60 Ų60157.9 Ų157.962%0.61980%0.802SS**  trans-97.279.4170.500000108.6Y484 D488Y484-G486 PolarHBondContact O-N 3.09Å; G486-D488 PolarHBondContact O-N 2.9Å
487D31.9Very low28.2Very low163 Ų163158.6 Ų158.687%0.87281%0.807SS**  trans-76.481.1145.5-77.3-35.2000105.3
488D29.5Very low28.2Very low157 Ų157157.3 Ų157.384%0.8481%0.805SS**  trans-157.376.3172.4-94.6-34.9000106.8G486G486-D488 PolarHBondContact O-N 2.9Å
489D33.1Very low27.9Very low161 Ų161155.7 Ų155.786%0.86180%0.799SS**  trans-121.1120.1152.7-125.1-13000108.5
490D31.7Very low27.7Very low132 Ų132154.6 Ų154.671%0.70680%0.802SS**  trans6189.2167.4-86-17.2000120.7L492D490-L492 PolarHBondContact O-N 3.26Å
491R26.8Very low27.8Very low242 Ų242150 Ų15091%0.91380%0.801SS**  -32.298.6124.5-68.3174.9173.5177.2-1.9112.3
492L27.6Very low27.5Very low135 Ų135148.8 Ų148.871%0.70780%0.798SS**  trans-153.2119.3145.9-106.3139.7000109.6D490D490-L492 PolarHBondContact O-N 3.26Å
493L26.7Very low27.5Very low156 Ų156149 Ų14982%0.81780%0.799SS**  trans83.264.3159.9-48.6173000117.6
494Q24.3Very low27.2Very low203 Ų203147.2 Ų147.295%0.94980%0.795SS**  trans-135.796.4143.4-76-170.5-5.800110.3
495A26.6Very low27Very low97 Ų97141.9 Ų141.980%0.80279%0.79SS**  trans-157.667.4159.400000108.7
496I27.9Very low27Very low164 Ų164139.6 Ų139.684%0.84179%0.786SS**  trans-136.894.4152.4-59.3-176.2000106.6
497D23.1Very low26.8Very low145 Ų145144 Ų14478%0.77579%0.794SS**  trans-58144.4158.5-143.3-15.5000109.3
498I27.4Very low26.7Very low152 Ų152144 Ų14478%0.77979%0.794SS**  trans173.5117.9142.9-83.6149.9000107.7
499S22.5Very low27Very low86 Ų86140.2 Ų140.260%0.60179%0.792SS**  trans-32.5162.2159.247.90000117.8
500D25.1Very low26.8Very low159 Ų159140.2 Ų140.285%0.8579%0.792SS**  trans84.4105.8159.3-64-25000118.4
501A30.3Very low27.1Very low101 Ų101142 Ų14284%0.83580%0.802SS**  -178.5115.8110.900000111.4
502S22Very low27.2Very low99 Ų99134.6 Ų134.669%0.69279%0.787SS**  trans-59.7179.4158.547.10000114.3
503F27.6Very low27.4Very low184 Ų184135.1 Ų135.181%0.80779%0.79SS**  trans104.699.7170.1-70.7-88.4000113.9
504T21.1Very low27.5Very low115 Ų115134.3 Ų134.371%0.70679%0.785SS**  62.9135.967.373.70000116.7
505S24.3Very low28.4Very low110 Ų110134.3 Ų134.377%0.76981%0.805SS**  trans70.6137.2165.871.80000116.1
506S30.7Very low28.5Very low111 Ų111136.2 Ų136.278%0.77681%0.805SS**  cis-157.8151.745.4-57.60000114
507I22.6Very low28.5Very low151 Ų151134.7 Ų134.777%0.77480%0.803SS**  trans-65.2140.8160.8-70.1159000109.3
508N30Very low28.8Very low164 Ų164134.1 Ų134.188%0.87781%0.805SS**  trans175.2128135.5-90.7-19000111.5
509G35.1Very low28.9Very low78 Ų78133.1 Ų133.180%0.80481%0.806SS**  trans161.446.8170.200000113.7
510D28.7Very low29.3Very low160 Ų160136 Ų13686%0.85682%0.819SS**  trans-78.7110.9159.5-106.8-23.9000107.3
511D39.8Very low29.6Very low169 Ų169134.5 Ų134.590%0.90482%0.817SS**  trans-116.689.6157.8-94-26.9000107.5
512S28.1Very low29.5Very low87 Ų87136.9 Ų136.961%0.60882%0.816SS**  trans-68.1141.4156.155.30000110
513L31.1Very low30.1Very low146 Ų146139.8 Ų139.876%0.76483%0.825SS**  157.3123.8122.5-78.6152.6000112.7
514I29.3Very low30.3Very low140 Ų140136.1 Ų136.172%0.71883%0.827SS**  trans70.2104.3131.1-58170.8000118.5
515C43Very low31.1Very low202 Ų202138 Ų138100%1.36584%0.838SS**  174.2095.9-1190000109.2

Retrieved 515 of 515 residues in 167.4 ms (Link to these results)

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