A0A087WYS1_HUMAN Loading...

UTP--glucose-1-phosphate uridylyltransferase

UTP--glucose-1-phosphate uridylyltransferase catalyzing the conversion of glucose-1-phosphate into UDP-glucose, a crucial precursor for the production of glycogen.

AlphaFold DB , UniProt , Accession A0A087WYS1, Species HUMAN (Homo sapiens, Human), Gene UGP2, Length 463 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
1M47Very low58.4Low240 Ų240113.1 Ų113.1100%1.18260%0.601SS**  0118.90-76.6173.7163.900107.2
2S40.8Very low60.2Low81 Ų81109.8 Ų109.857%0.56659%0.588SS**  trans-61.2151178.645.40000110.7D4 G5 A6S2-D4 PolarHBondContact O-N 2.73Å; S2-D4 VanDerWaalsContact O-N 3.15Å; S2-G5 PolarHBondContact O-N 3.43Å; S2-G5 VanDerWaalsContact O-N 3.09Å; S2-A6 PolarHBondContact O-N 3.49Å
3Q49.6Very low61.7Low181 Ų181106.3 Ų106.385%0.84657%0.568SS**Hα-helixtrans-54.1-31.2176-80.5-175.2-21.200112.2A6 S7Q3-A6 PolarHBondContact O-N 2.7Å; Q3-S7 PolarHBondContact O-N 3.21Å; Q3-S7 VanDerWaalsContact O-N 3.09Å
4D52.5Low63.2Low119 Ų119103.4 Ų103.464%0.63655%0.545SS*.Hα-helixtrans-66.6-38.6177.2-64-26.2000113.6S2 S7 Q8S2-D4 PolarHBondContact O-N 2.73Å; S2-D4 VanDerWaalsContact O-N 3.15Å; D4-S7 PolarHBondContact O-N 3.35Å; D4-Q8 PolarHBondContact O-N 3.07Å; D4-Q8 VanDerWaalsContact O-N 3.08Å
5G48.9Very low64.6Low34 Ų34103.9 Ų103.935%0.35154%0.543SS..Hα-helixtrans-70.5-32.817800000112.8S2 F9S2-G5 PolarHBondContact O-N 3.43Å; S2-G5 VanDerWaalsContact O-N 3.09Å; G5-F9 WeakPolarHBondContact O-CB 3.32Å; G5-F9 PolarHBondContact O-N 3.39Å
6A58.1Low66.1Low49 Ų49104.6 Ų104.641%0.40554%0.543SS..Hα-helixtrans-73-34.4174.900000112.3S2 Q3 Q10S2-A6 PolarHBondContact O-N 3.49Å; Q3-A6 PolarHBondContact O-N 2.7Å; A6-Q10 WeakPolarHBondContact O-CB 3.42Å; A6-Q10 VanDerWaalsContact O-CG 3.26Å; A6-Q10 WeakPolarHBondContact O-CG 3.18Å; A6-Q10 PolarHBondContact O-N 3.32Å; A6-Q10 VanDerWaalsContact O-N 3.15Å
7S63.2Low67.3Low60 Ų60101.1 Ų101.142%0.4253%0.525SS..Hα-helixtrans-66.7-47.8175.3134.10000111.6Q3 D4 Q10 E11Q3-S7 PolarHBondContact O-N 3.21Å; Q3-S7 VanDerWaalsContact O-N 3.09Å; D4-S7 PolarHBondContact O-N 3.35Å; S7-Q10 PolarHBondContact O-N 3.05Å; S7-E11 PolarHBondContact O-N 3.33Å
8Q66.8Low68.5Low134 Ų13497.2 Ų97.263%0.62650%0.504SS*.Hα-helixtrans-63.8-42.4178.7-75.1179.1-11.900112.2D4 Q10 E11 V12D4-Q8 PolarHBondContact O-N 3.07Å; D4-Q8 VanDerWaalsContact O-N 3.08Å; Q8-Q10 PolarHBondContact O-N 3.41Å; Q8-E11 PolarHBondContact O-N 2.99Å; Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.21Å
9F68.8Low69.7Low141 Ų14197.4 Ų97.462%0.61851%0.505SS*.Hα-helixtrans-63.4-40.5177.5-173.8-105.9000112.5G5 E11 V12 I13G5-F9 WeakPolarHBondContact O-CB 3.32Å; G5-F9 PolarHBondContact O-N 3.39Å; F9-E11 VanDerWaalsContact C-N 3.29Å; F9-E11 PolarHBondContact O-N 3.18Å; F9-V12 PolarHBondContact O-N 3.45Å; F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.37Å; F9-I13 HydrophobicContact CE1-CG1 4.4Å; F9-I13 HydrophobicContact CZ-CD1 3.89Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.03Å; F9-I13 VanDerWaalsContact O-N 3.16Å
10Q69.7Low70.8Confident96 Ų9695.2 Ų95.245%0.44950%0.498SS..Hα-helixtrans-65.5-32.2174.6-77-179.64.700112.9A6 S7 Q8 R14A6-Q10 WeakPolarHBondContact O-CB 3.42Å; A6-Q10 VanDerWaalsContact O-CG 3.26Å; A6-Q10 WeakPolarHBondContact O-CG 3.18Å; A6-Q10 PolarHBondContact O-N 3.32Å; A6-Q10 VanDerWaalsContact O-N 3.15Å; S7-Q10 PolarHBondContact O-N 3.05Å; Q8-Q10 PolarHBondContact O-N 3.41Å; Q10-R14 VanDerWaalsContact O-CD 3.28Å; Q10-R14 WeakPolarHBondContact O-CD 3.48Å; Q10-R14 WeakPolarHBondContact O-CG 3.16Å; Q10-R14 PolarHBondContact O-N 3.48Å
11E77.2Confident71.8Confident109 Ų10990.8 Ų90.851%0.50948%0.475SS..Hα-helixtrans-71.8-40.3178.5-166.3155.5-171.700112.1S7 Q8 F9 R14 Q15S7-E11 PolarHBondContact O-N 3.33Å; Q8-E11 PolarHBondContact O-N 2.99Å; F9-E11 VanDerWaalsContact C-N 3.29Å; F9-E11 PolarHBondContact O-N 3.18Å; E11-R14 WeakPolarHBondContact O-CB 3.39Å; E11-R14 PolarHBondContact O-N 2.88Å; E11-Q15 WeakPolarHBondContact O-CG 3.26Å; E11-Q15 PolarHBondContact O-N 2.67Å
12V79.9Confident74Confident73 Ų7382.9 Ų82.944%0.44243%0.434SS..Hα-helixtrans-59.6-48.3172.2174.80000111Q8 F9 R14 Q15 E16Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.21Å; F9-V12 PolarHBondContact O-N 3.45Å; V12-R14 PolarHBondContact O-N 2.87Å; V12-Q15 PolarHBondContact O-N 2.91Å; V12-Q15 VanDerWaalsContact O-N 3.16Å; V12-E16 HydrophobicContact CG1-CG 4.49Å; V12-E16 WeakPolarHBondContact O-CG 3.34Å; V12-E16 PolarHBondContact O-N 3.31Å
13I80.3Confident76.5Confident65 Ų6585.4 Ų85.433%0.33344%0.435SS..Hα-helixtrans-57.5-38.6177.5-70.8169000111.7F9 E16 L17F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.37Å; F9-I13 HydrophobicContact CE1-CG1 4.4Å; F9-I13 HydrophobicContact CZ-CD1 3.89Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.03Å; F9-I13 VanDerWaalsContact O-N 3.16Å; I13-E16 PolarHBondContact O-N 2.91Å; I13-L17 HydrophobicContact CG2-CD1 3.93Å; I13-L17 HydrophobicContact CG2-CG 4.48Å; I13-L17 WeakPolarHBondContact O-CB 2.88Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.37Å
14R82.6Confident78.5Confident65 Ų6579.9 Ų79.925%0.24541%0.41CS..Hα-helixtrans-66.5-44.3178.5-73.7160.8171-135.2-25.4112.2Q10 E11 V12 E16 L17 E18 L55 K58Q10-R14 VanDerWaalsContact O-CD 3.28Å; Q10-R14 WeakPolarHBondContact O-CD 3.48Å; Q10-R14 WeakPolarHBondContact O-CG 3.16Å; Q10-R14 PolarHBondContact O-N 3.48Å; E11-R14 WeakPolarHBondContact O-CB 3.39Å; E11-R14 PolarHBondContact O-N 2.88Å; V12-R14 PolarHBondContact O-N 2.87Å; R14-E16 VanDerWaalsContact C-N 3.31Å; R14-L17 PolarHBondContact O-N 3.5Å; R14-E18 WeakPolarHBondContact O-CB 3.24Å; R14-E18 PolarHBondContact O-N 3.48Å; R14-L55 PolarHBondContact NH1-O 3.13Å; R14-L55 PolarHBondContact NH2-O 3.1Å; R14-K58 VanDerWaalsContact CZ-NZ 3.33Å; R14-K58 VanDerWaalsContact NH1-CE 3.26Å
15Q84.6Confident80.4Confident111 Ų11174.7 Ų74.752%0.51938%0.382SS..Hα-helixtrans-63.7-40.3177.2-69.6-177.23.500110.9E11 V12 E18 L19E11-Q15 WeakPolarHBondContact O-CG 3.26Å; E11-Q15 PolarHBondContact O-N 2.67Å; V12-Q15 PolarHBondContact O-N 2.91Å; V12-Q15 VanDerWaalsContact O-N 3.16Å; Q15-E18 PolarHBondContact O-N 2.84Å; Q15-L19 WeakPolarHBondContact O-CB 3.39Å; Q15-L19 WeakPolarHBondContact O-CG 3.09Å; Q15-L19 PolarHBondContact O-N 3.27Å
16E87.2Confident82.5Confident115 Ų11578 Ų7854%0.53739%0.388SS..Hα-helixtrans-63.3-42.3175-72.5179.7170.100112.6V12 I13 R14 L19 S20V12-E16 HydrophobicContact CG1-CG 4.49Å; V12-E16 WeakPolarHBondContact O-CG 3.34Å; V12-E16 PolarHBondContact O-N 3.31Å; I13-E16 PolarHBondContact O-N 2.91Å; R14-E16 VanDerWaalsContact C-N 3.31Å; E16-L19 PolarHBondContact O-N 3Å; E16-S20 WeakPolarHBondContact O-CB 3.38Å; E16-S20 PolarHBondContact O-N 3.06Å; E16-S20 PolarHBondContact O-OG 3.28Å
17L87.3Confident84.2Confident45 Ų4581.1 Ų81.124%0.23639%0.392CS..Hα-helixtrans-62.5-47.4174.3-78.2165.9000111.4I13 R14 L19 S20 V21 L190I13-L17 HydrophobicContact CG2-CD1 3.93Å; I13-L17 HydrophobicContact CG2-CG 4.48Å; I13-L17 WeakPolarHBondContact O-CB 2.88Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.37Å; R14-L17 PolarHBondContact O-N 3.5Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.72Å; L17-S20 PolarHBondContact O-N 3.46Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.42Å; L17-L190 HydrophobicContact CD1-CD1 4.46Å
18E89Confident85.5Confident32 Ų3278.3 Ų78.315%0.1537%0.373CS..Hα-helixtrans-62.6-41.9178.9-167.6-173155.300111.9R14 Q15 S20 V21 K22 R48 H52 L55R14-E18 WeakPolarHBondContact O-CB 3.24Å; R14-E18 PolarHBondContact O-N 3.48Å; Q15-E18 PolarHBondContact O-N 2.84Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.27Å; E18-V21 PolarHBondContact O-N 3.23Å; E18-K22 WeakPolarHBondContact O-CB 3.4Å; E18-K22 PolarHBondContact O-N 3.02Å; E18-R48 IonicContact OE1-NE 2.76Å; E18-R48 IonicContact OE1-NH2 2.82Å; E18-H52 VanDerWaalsContact CD-ND1 3.33Å; E18-H52 IonicContact OE1-CG 3.53Å; E18-H52 IonicContact OE1-ND1 3.15Å; E18-H52 PolarHBondContact OE1-ND1 3.03Å; E18-H52 IonicContact OE2-CE1 2.61Å; E18-H52 IonicContact OE2-CG 3.86Å; E18-H52 IonicContact OE2-ND1 3.21Å; E18-H52 PolarHBondContact OE2-ND1 2.82Å; E18-L55 HydrophobicContact CB-CD1 4.38Å
19L91.2Very high86.7Confident100 Ų10073.2 Ų73.252%0.52435%0.349SS..Hα-helixtrans-63.9-38.3175-73.9169.5000111.9Q15 E16 L17 K22 K23Q15-L19 WeakPolarHBondContact O-CB 3.39Å; Q15-L19 WeakPolarHBondContact O-CG 3.09Å; Q15-L19 PolarHBondContact O-N 3.27Å; E16-L19 PolarHBondContact O-N 3Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.72Å; L19-K22 PolarHBondContact O-N 2.65Å; L19-K23 WeakPolarHBondContact O-CG 3.14Å; L19-K23 PolarHBondContact O-N 2.95Å
20S91.6Very high87.7Confident53 Ų5371.9 Ų71.937%0.37135%0.353SS..Hα-helixtrans-66.8-45.8177-61.80000111.4E16 L17 E18 K22 K23 E24E16-S20 WeakPolarHBondContact O-CB 3.38Å; E16-S20 PolarHBondContact O-N 3.06Å; E16-S20 PolarHBondContact O-OG 3.28Å; L17-S20 PolarHBondContact O-N 3.46Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.27Å; S20-K22 VanDerWaalsContact C-N 3.33Å; S20-K22 PolarHBondContact O-N 2.76Å; S20-K23 PolarHBondContact O-N 3.31Å; S20-E24 PolarHBondContact O-N 2.81Å; S20-E24 VanDerWaalsContact O-N 3.09Å
21V91.6Very high88.7Confident3 Ų370.6 Ų70.62%0.01835%0.352CS..Hα-helixtrans-58.2-47.2173171.70000110.2L17 E18 K23 E24 L25 F47 F51 L190 L191 P192L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.42Å; E18-V21 PolarHBondContact O-N 3.23Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 3.45Å; V21-E24 PolarHBondContact O-N 2.81Å; V21-E24 VanDerWaalsContact O-N 3.11Å; V21-L25 HydrophobicContact CG1-CD1 3.97Å; V21-L25 HydrophobicContact CG1-CG 4.11Å; V21-L25 VanDerWaalsContact O-CG 3.31Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.09Å; V21-F47 HydrophobicContact CG1-CE1 4.2Å; V21-F51 HydrophobicContact CB-CD1 4.5Å; V21-F51 HydrophobicContact CB-CE1 4.21Å; V21-F51 HydrophobicContact CG1-CD1 4.33Å; V21-F51 HydrophobicContact CG1-CE1 4.45Å; V21-F51 HydrophobicContact CG2-CD1 4.35Å; V21-F51 HydrophobicContact CG2-CE1 3.66Å; V21-F51 HydrophobicContact CG2-CZ 3.82Å; V21-L190 WeakPolarHBondContact CG2-O 3.48Å; V21-L191 HydrophobicContact CG2-CD2 3.87Å; V21-P192 HydrophobicContact CG1-CG 4.23Å
22K92.9Very high89.2Confident74 Ų7466.2 Ų66.232%0.32233%0.334SS..Hα-helixtrans-55.5-45.3178-175.7-174.8174-166.70112.1E18 L19 S20 E24 L25 E26E18-K22 WeakPolarHBondContact O-CB 3.4Å; E18-K22 PolarHBondContact O-N 3.02Å; L19-K22 PolarHBondContact O-N 2.65Å; S20-K22 VanDerWaalsContact C-N 3.33Å; S20-K22 PolarHBondContact O-N 2.76Å; K22-E24 PolarHBondContact O-N 2.82Å; K22-L25 PolarHBondContact O-N 3.16Å; K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 IonicContact NZ-OE1 3.56Å; K22-E26 WeakPolarHBondContact O-CG 3.39Å; K22-E26 PolarHBondContact O-N 3.34Å
23K93.3Very high89.5Confident135 Ų13565.1 Ų65.159%0.58733%0.33SS*.Hα-helixtrans-61.9-41.1177.3-74.4176.5-179.3177.70112.3L19 S20 V21 E26 K27L19-K23 WeakPolarHBondContact O-CG 3.14Å; L19-K23 PolarHBondContact O-N 2.95Å; S20-K23 PolarHBondContact O-N 3.31Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 3.45Å; K23-E26 PolarHBondContact O-N 3.23Å; K23-K27 WeakPolarHBondContact O-CG 3.41Å; K23-K27 PolarHBondContact O-N 2.97Å; K23-K27 VanDerWaalsContact O-N 3.12Å
24E92.9Very high89.7Confident65 Ų6567.6 Ų67.630%0.30435%0.353SS..Hα-helixtrans-67.3-39.8176-67-53.2134.700111.8S20 V21 K22 E26 K27 I28 P192S20-E24 PolarHBondContact O-N 2.81Å; S20-E24 VanDerWaalsContact O-N 3.09Å; V21-E24 PolarHBondContact O-N 2.81Å; V21-E24 VanDerWaalsContact O-N 3.11Å; K22-E24 PolarHBondContact O-N 2.82Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 2.8Å; E24-K27 WeakPolarHBondContact O-CB 3.26Å; E24-K27 PolarHBondContact O-N 3.5Å; E24-K27 IonicContact OE1-NZ 3.45Å; E24-K27 PolarHBondContact OE1-NZ 3.39Å; E24-K27 IonicContact OE2-NZ 3.92Å; E24-I28 WeakPolarHBondContact O-CG1 3.37Å; E24-I28 PolarHBondContact O-N 3.39Å; E24-P192 HydrophobicContact CB-CG 4.27Å
25L92.6Very high89.8Confident10 Ų1073.4 Ų73.45%0.05238%0.383CS..Hα-helixtrans-63-38.8174.6-63.3179.8000112.3V21 K22 K27 I28 L29 L44 F47 R48 P183 P192V21-L25 HydrophobicContact CG1-CD1 3.97Å; V21-L25 HydrophobicContact CG1-CG 4.11Å; V21-L25 VanDerWaalsContact O-CG 3.31Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.09Å; K22-L25 PolarHBondContact O-N 3.16Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-I28 HydrophobicContact CD2-CD1 4.17Å; L25-I28 PolarHBondContact O-N 3.23Å; L25-L29 WeakPolarHBondContact O-CB 3.15Å; L25-L29 PolarHBondContact O-N 3Å; L25-L44 HydrophobicContact CD2-CD2 4.2Å; L25-F47 HydrophobicContact CD1-CD1 3.73Å; L25-F47 HydrophobicContact CD1-CE1 4.06Å; L25-F47 HydrophobicContact CD2-CD1 4.02Å; L25-F47 HydrophobicContact CD2-CE1 4.02Å; L25-F47 HydrophobicContact CG-CD1 4.5Å; L25-R48 HydrophobicContact CD1-CB 4.3Å; L25-P183 HydrophobicContact CD2-CG 3.91Å; L25-P192 HydrophobicContact CD2-CG 3.84Å; L25-P192 HydrophobicContact CG-CG 4.45Å
26E92.7Very high89.7Confident104 Ų10472.5 Ų72.549%0.48638%0.378SS..Hα-helixtrans-62.5-40.7174.2-75.8176.3-176.700111.5K22 K23 E24 L29 T30K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 IonicContact NZ-OE1 3.56Å; K22-E26 WeakPolarHBondContact O-CG 3.39Å; K22-E26 PolarHBondContact O-N 3.34Å; K23-E26 PolarHBondContact O-N 3.23Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 2.8Å; E26-L29 PolarHBondContact O-N 3.41Å; E26-T30 WeakPolarHBondContact O-CG2 3.4Å; E26-T30 PolarHBondContact O-N 3.23Å
27K92.4Very high89.8Confident113 Ų11371 Ų7149%0.49137%0.37SS..Hα-helixtrans-63.9-39.3173.5-68.9173.3-173.81700112.6K23 E24 L25 L29 T30K23-K27 WeakPolarHBondContact O-CG 3.41Å; K23-K27 PolarHBondContact O-N 2.97Å; K23-K27 VanDerWaalsContact O-N 3.12Å; E24-K27 WeakPolarHBondContact O-CB 3.26Å; E24-K27 PolarHBondContact O-N 3.5Å; E24-K27 IonicContact OE1-NZ 3.45Å; E24-K27 PolarHBondContact OE1-NZ 3.39Å; E24-K27 IonicContact OE2-NZ 3.92Å; L25-K27 VanDerWaalsContact C-N 3.34Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-T30 PolarHBondContact O-N 3.49Å; K27-T30 PolarHBondContact O-OG1 3.31Å
28I90.4Very high89.9Confident2 Ų273.8 Ų73.81%0.0138%0.382CS..Hα-helixtrans-61.9-46.5174.8-65.8165.9000108.9E24 L25 T30 T31 L44 P192 A194 V197 W207E24-I28 WeakPolarHBondContact O-CG1 3.37Å; E24-I28 PolarHBondContact O-N 3.39Å; L25-I28 HydrophobicContact CD2-CD1 4.17Å; L25-I28 PolarHBondContact O-N 3.23Å; I28-T30 VanDerWaalsContact C-N 3.27Å; I28-T30 PolarHBondContact O-N 3.01Å; I28-T31 PolarHBondContact O-N 2.93Å; I28-T31 PolarHBondContact O-OG1 3.43Å; I28-L44 HydrophobicContact CG2-CD1 4.49Å; I28-P192 HydrophobicContact CD1-CB 4.15Å; I28-A194 HydrophobicContact CD1-CB 4.28Å; I28-A194 WeakPolarHBondContact CD1-O 3.45Å; I28-V197 HydrophobicContact CG2-CG2 3.61Å; I28-V197 VanDerWaalsContact O-CG2 3.32Å; I28-V197 WeakPolarHBondContact O-CG2 3.43Å; I28-W207 HydrophobicContact CG2-CH2 3.86Å; I28-W207 HydrophobicContact CG2-CZ2 3.99Å
29L91.9Very high89.9Confident26 Ų2676.4 Ų76.414%0.13639%0.394CS..Hα-helixtrans-61.4-30.1-177-171.962.2000113.6L25 E26 K27 T31 A32 F37 T40 K41 L44L25-L29 WeakPolarHBondContact O-CB 3.15Å; L25-L29 PolarHBondContact O-N 3Å; E26-L29 PolarHBondContact O-N 3.41Å; K27-L29 VanDerWaalsContact C-N 3.31Å; L29-T31 PolarHBondContact O-N 3.06Å; L29-A32 HydrophobicContact CD1-CB 4.39Å; L29-A32 WeakPolarHBondContact O-CB 3.43Å; L29-A32 PolarHBondContact O-N 2.89Å; L29-A32 VanDerWaalsContact O-N 3.15Å; L29-F37 HydrophobicContact CD1-CD2 4.21Å; L29-F37 HydrophobicContact CD1-CE2 4.02Å; L29-F37 HydrophobicContact CD1-CZ 4.34Å; L29-F37 HydrophobicContact CD2-CE2 4.26Å; L29-F37 HydrophobicContact CD2-CZ 3.96Å; L29-F37 HydrophobicContact CG-CD2 4.4Å; L29-F37 HydrophobicContact CG-CE2 3.74Å; L29-F37 HydrophobicContact CG-CZ 3.97Å; L29-T40 HydrophobicContact CD1-CG2 4.03Å; L29-K41 HydrophobicContact CD1-CB 4.1Å; L29-K41 HydrophobicContact CD2-CB 4.22Å; L29-K41 HydrophobicContact CD2-CG 4.13Å; L29-L44 HydrophobicContact CB-CD1 4.09Å; L29-L44 HydrophobicContact CD1-CD1 4.32Å
30T91.7Very high89.8Confident114 Ų11471.9 Ų71.970%0.69937%0.371SS*.THydrogen-bonded Turntrans-66.2-17.8176.462.80000113.7E26 K27 I28E26-T30 WeakPolarHBondContact O-CG2 3.4Å; E26-T30 PolarHBondContact O-N 3.23Å; K27-T30 PolarHBondContact O-N 3.49Å; K27-T30 PolarHBondContact O-OG1 3.31Å; I28-T30 VanDerWaalsContact C-N 3.27Å; I28-T30 PolarHBondContact O-N 3.01Å
31T89.1Confident89.9Confident69 Ų6973.3 Ų73.342%0.42337%0.37SS..THydrogen-bonded Turntrans-89.3-5.1177.269.60000113.4I28 L29 D196 V197I28-T31 PolarHBondContact O-N 2.93Å; I28-T31 PolarHBondContact O-OG1 3.43Å; L29-T31 PolarHBondContact O-N 3.06Å; T31-D196 HydrophobicContact CG2-CB 3.83Å; T31-D196 WeakPolarHBondContact OG1-CA 3.38Å; T31-D196 WeakPolarHBondContact OG1-CB 3.03Å; T31-V197 PolarHBondContact OG1-N 3.21Å
32A87.5Confident90Very high16 Ų1677.8 Ų77.813%0.13239%0.389CS..SBendtrans-69.4142.618000000111.7L29 F37 V197L29-A32 HydrophobicContact CD1-CB 4.39Å; L29-A32 WeakPolarHBondContact O-CB 3.43Å; L29-A32 PolarHBondContact O-N 2.89Å; L29-A32 VanDerWaalsContact O-N 3.15Å; A32-F37 HydrophobicContact CB-CD2 4.12Å; A32-V197 HydrophobicContact CB-CG1 4.48Å; A32-V197 HydrophobicContact CB-CG2 4.09Å
33S86.2Confident90Very high51 Ų5174.8 Ų74.836%0.35738%0.377SS..  trans-67.9151.6171.673.40000110.9H35 E36 F37S33-H35 PolarHBondContact O-N 2.86Å; S33-H35 VanDerWaalsContact O-N 3.09Å; S33-E36 PolarHBondContact O-N 3.15Å; S33-E36 WeakPolarHBondContact OG-CB 3.39Å; S33-E36 WeakPolarHBondContact OG-CG 3.11Å; S33-E36 PolarHBondContact OG-N 3.43Å; S33-E36 PolarHBondContact OG-OE2 3.08Å; S33-F37 WeakPolarHBondContact O-CB 3.3Å; S33-F37 PolarHBondContact O-N 3.45Å
34S86.2Confident90.1Very high117 Ų11768.7 Ų68.782%0.81835%0.351SS*.THydrogen-bonded Turntrans-56.9-29.7179.8-49.80000113.4
35H84Confident90.1Very high187 Ų18769.2 Ų69.287%0.86636%0.355SS*.THydrogen-bonded Turntrans-77.5-29.5179.7-66-69.1000113.1S33S33-H35 PolarHBondContact O-N 2.86Å; S33-H35 VanDerWaalsContact O-N 3.09Å
36E82.4Confident90.2Very high91 Ų9169.6 Ų69.643%0.42536%0.362SS..THydrogen-bonded Turntrans-101.6-8.7-177.3-65.4170.6132.600113S33 E38 H39 T40S33-E36 PolarHBondContact O-N 3.15Å; S33-E36 WeakPolarHBondContact OG-CB 3.39Å; S33-E36 WeakPolarHBondContact OG-CG 3.11Å; S33-E36 PolarHBondContact OG-N 3.43Å; S33-E36 PolarHBondContact OG-OE2 3.08Å; E36-E38 PolarHBondContact O-N 3.18Å; E36-H39 PolarHBondContact O-CD2 3.08Å; E36-H39 PolarHBondContact O-N 2.76Å; E36-T40 WeakPolarHBondContact O-CB 3.46Å; E36-T40 PolarHBondContact O-N 3.31Å; E36-T40 PolarHBondContact O-OG1 3.08Å
37F88.9Confident90.3Very high83 Ų8364.7 Ų64.736%0.36434%0.339SS..Hα-helixtrans-53.7-50.2-173-171.7-88.3000112.9L29 A32 S33 T40 K41L29-F37 HydrophobicContact CD1-CD2 4.21Å; L29-F37 HydrophobicContact CD1-CE2 4.02Å; L29-F37 HydrophobicContact CD1-CZ 4.34Å; L29-F37 HydrophobicContact CD2-CE2 4.26Å; L29-F37 HydrophobicContact CD2-CZ 3.96Å; L29-F37 HydrophobicContact CG-CD2 4.4Å; L29-F37 HydrophobicContact CG-CE2 3.74Å; L29-F37 HydrophobicContact CG-CZ 3.97Å; A32-F37 HydrophobicContact CB-CD2 4.12Å; S33-F37 WeakPolarHBondContact O-CB 3.3Å; S33-F37 PolarHBondContact O-N 3.45Å; F37-T40 PolarHBondContact O-N 2.68Å; F37-K41 HydrophobicContact CE1-CD 4.36Å; F37-K41 VanDerWaalsContact O-CB 3.3Å; F37-K41 WeakPolarHBondContact O-CB 3.47Å; F37-K41 PolarHBondContact O-N 3.2Å
38E89.9Confident90.4Very high105 Ų10563.4 Ų63.449%0.49133%0.331SS..Hα-helixtrans-67.7-40.8-175-174.958.1-154.200112.1E36 K42E36-E38 PolarHBondContact O-N 3.18Å; E38-K42 WeakPolarHBondContact O-CG 3.05Å; E38-K42 PolarHBondContact O-N 2.68Å; E38-K42 WeakPolarHBondContact OE1-CE 3.32Å
39H87.8Confident90.5Very high86 Ų8669.3 Ų69.340%0.39836%0.357SS..Hα-helixtrans-67-45.8175.7122.465.2000110.7E36 K41 K42 D43E36-H39 PolarHBondContact O-CD2 3.08Å; E36-H39 PolarHBondContact O-N 2.76Å; H39-K41 VanDerWaalsContact C-N 3.3Å; H39-K41 PolarHBondContact O-N 3.11Å; H39-K42 PolarHBondContact O-N 3.22Å; H39-D43 IonicContact CE1-OD2 3.43Å; H39-D43 PolarHBondContact CE1-OD2 3.21Å; H39-D43 VanDerWaalsContact CE1-OD2 3.32Å; H39-D43 IonicContact ND1-OD1 2.84Å; H39-D43 IonicContact ND1-OD2 2.85Å; H39-D43 PolarHBondContact O-N 3.45Å
40T90.2Very high90.6Very high5 Ų568.9 Ų68.93%0.03136%0.355CS..Hα-helixtrans-61.5-42.4-178.8-57.60000110.1L29 E36 F37 K42 D43 L44 V197L29-T40 HydrophobicContact CD1-CG2 4.03Å; E36-T40 WeakPolarHBondContact O-CB 3.46Å; E36-T40 PolarHBondContact O-N 3.31Å; E36-T40 PolarHBondContact O-OG1 3.08Å; F37-T40 PolarHBondContact O-N 2.68Å; T40-K42 PolarHBondContact O-N 2.9Å; T40-D43 PolarHBondContact O-N 3.02Å; T40-L44 HydrophobicContact CG2-CD1 4.18Å; T40-L44 HydrophobicContact CG2-CG 4.26Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.38Å; T40-V197 HydrophobicContact CG2-CG1 4.42Å; T40-V197 HydrophobicContact CG2-CG2 4.06Å
41K93.6Very high90.7Very high84 Ų8463.5 Ų63.537%0.36532%0.322SS..Hα-helixtrans-58.2-46.8176.1-176-178.2175.7-171.40111.9L29 F37 H39 D43 L44 D45L29-K41 HydrophobicContact CD1-CB 4.1Å; L29-K41 HydrophobicContact CD2-CB 4.22Å; L29-K41 HydrophobicContact CD2-CG 4.13Å; F37-K41 HydrophobicContact CE1-CD 4.36Å; F37-K41 VanDerWaalsContact O-CB 3.3Å; F37-K41 WeakPolarHBondContact O-CB 3.47Å; F37-K41 PolarHBondContact O-N 3.2Å; H39-K41 VanDerWaalsContact C-N 3.3Å; H39-K41 PolarHBondContact O-N 3.11Å; K41-D43 VanDerWaalsContact C-N 3.34Å; K41-D43 PolarHBondContact O-N 3.36Å; K41-L44 PolarHBondContact O-N 3.4Å; K41-D45 WeakPolarHBondContact O-CB 3.34Å; K41-D45 PolarHBondContact O-N 2.96Å
42K92.9Very high90.8Very high96 Ų9663.4 Ų63.442%0.41732%0.316SS..Hα-helixtrans-60.8-42.3177.2-72.5177.4-177.1-179.90112.2E38 H39 T40 D45 G46E38-K42 WeakPolarHBondContact O-CG 3.05Å; E38-K42 PolarHBondContact O-N 2.68Å; E38-K42 WeakPolarHBondContact OE1-CE 3.32Å; H39-K42 PolarHBondContact O-N 3.22Å; T40-K42 PolarHBondContact O-N 2.9Å; K42-D45 PolarHBondContact O-N 3.03Å; K42-G46 PolarHBondContact O-N 2.88Å
43D93.9Very high91Very high11 Ų1165.6 Ų65.66%0.05932%0.321CS..Hα-helixtrans-62.3-47.8175.9-76.96.2000111H39 T40 K41 D45 G46 F47 S180 R181 Y182H39-D43 IonicContact CE1-OD2 3.43Å; H39-D43 PolarHBondContact CE1-OD2 3.21Å; H39-D43 VanDerWaalsContact CE1-OD2 3.32Å; H39-D43 IonicContact ND1-OD1 2.84Å; H39-D43 IonicContact ND1-OD2 2.85Å; H39-D43 PolarHBondContact O-N 3.45Å; T40-D43 PolarHBondContact O-N 3.02Å; K41-D43 VanDerWaalsContact C-N 3.34Å; K41-D43 PolarHBondContact O-N 3.36Å; D43-D45 VanDerWaalsContact C-N 3.33Å; D43-D45 PolarHBondContact O-N 3.26Å; D43-G46 PolarHBondContact O-N 3.42Å; D43-G46 VanDerWaalsContact O-N 3.17Å; D43-F47 PolarHBondContact O-N 3.24Å; D43-S180 VanDerWaalsContact OD1-CB 3.3Å; D43-S180 WeakPolarHBondContact OD1-CB 3.29Å; D43-S180 PolarHBondContact OD1-OG 3.36Å; D43-S180 WeakPolarHBondContact OD2-CA 3.05Å; D43-R181 PolarHBondContact OD2-N 3.21Å; D43-Y182 HydrophobicContact CB-CD1 4.46Å; D43-Y182 HydrophobicContact CB-CE1 4.19Å; D43-Y182 WeakPolarHBondContact O-CE1 3.47Å
44L94.3Very high91.2Very high8 Ų865.6 Ų65.64%0.04232%0.315CS..Hα-helixtrans-65.7-35.2179.5-64.4-173.8000112.6L25 I28 L29 T40 K41 F47 R48 P183 W207L25-L44 HydrophobicContact CD2-CD2 4.2Å; I28-L44 HydrophobicContact CG2-CD1 4.49Å; L29-L44 HydrophobicContact CB-CD1 4.09Å; L29-L44 HydrophobicContact CD1-CD1 4.32Å; T40-L44 HydrophobicContact CG2-CD1 4.18Å; T40-L44 HydrophobicContact CG2-CG 4.26Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.38Å; K41-L44 PolarHBondContact O-N 3.4Å; L44-F47 PolarHBondContact O-N 3.29Å; L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 3.38Å; L44-P183 HydrophobicContact CD2-CG 4.47Å; L44-W207 HydrophobicContact CD2-CH2 4.29Å; L44-W207 HydrophobicContact CD2-CZ3 4.19Å
45D93.9Very high91.3Very high75 Ų7561 Ų6140%0.40128%0.281SS..Hα-helixtrans-65.3-41.1172.5-77.1-25000111.3K41 K42 D43 R48 K49K41-D45 WeakPolarHBondContact O-CB 3.34Å; K41-D45 PolarHBondContact O-N 2.96Å; K42-D45 PolarHBondContact O-N 3.03Å; D43-D45 VanDerWaalsContact C-N 3.33Å; D43-D45 PolarHBondContact O-N 3.26Å; D45-R48 PolarHBondContact O-N 3.45Å; D45-K49 WeakPolarHBondContact O-CG 3.44Å; D45-K49 PolarHBondContact O-N 3.45Å
46G93.7Very high91.4Very high19 Ų1957.4 Ų57.420%0.19627%0.265CS..Hα-helixtrans-60.7-46172.700000112.4K42 D43 R48 K49 L50 Y182K42-G46 PolarHBondContact O-N 2.88Å; D43-G46 PolarHBondContact O-N 3.42Å; D43-G46 VanDerWaalsContact O-N 3.17Å; G46-R48 PolarHBondContact O-N 3.45Å; G46-K49 PolarHBondContact O-N 3.19Å; G46-L50 PolarHBondContact O-N 3.34Å; G46-Y182 VanDerWaalsContact C-OH 3.3Å; G46-Y182 WeakPolarHBondContact CA-OH 3.37Å
47F95.8Very high91.2Very high0 Ų056.7 Ų56.70%026%0.261CS..Hα-helixtrans-60.1-44.5174.6173.5-99.4000111.9V21 L25 D43 L44 K49 L50 F51 Y182 P183 I185V21-F47 HydrophobicContact CG1-CE1 4.2Å; L25-F47 HydrophobicContact CD1-CD1 3.73Å; L25-F47 HydrophobicContact CD1-CE1 4.06Å; L25-F47 HydrophobicContact CD2-CD1 4.02Å; L25-F47 HydrophobicContact CD2-CE1 4.02Å; L25-F47 HydrophobicContact CG-CD1 4.5Å; D43-F47 PolarHBondContact O-N 3.24Å; L44-F47 PolarHBondContact O-N 3.29Å; F47-K49 PolarHBondContact O-N 3.33Å; F47-L50 WeakPolarHBondContact O-CB 3.21Å; F47-L50 PolarHBondContact O-N 2.88Å; F47-F51 WeakPolarHBondContact O-CB 3.41Å; F47-F51 PolarHBondContact O-N 2.88Å; F47-Y182 HydrophobicContact CB-CD1 3.79Å; F47-Y182 HydrophobicContact CB-CD2 3.92Å; F47-Y182 HydrophobicContact CB-CE1 3.97Å; F47-Y182 HydrophobicContact CB-CE2 4.09Å; F47-Y182 HydrophobicContact CB-CG 3.79Å; F47-Y182 AromaticContact CD2-CD2 3.73Å; F47-Y182 HydrophobicContact CD2-CD2 3.73Å; F47-Y182 AromaticContact CD2-CG 3.8Å; F47-Y182 HydrophobicContact CD2-CG 3.8Å; F47-Y182 HydrophobicContact CG-CD2 4.32Å; F47-Y182 HydrophobicContact CG-CG 4.22Å; F47-Y182 PolarHBondContact N-OH 3.01Å; F47-P183 HydrophobicContact CD1-CG 4.12Å; F47-P183 HydrophobicContact CD2-CG 4.41Å; F47-P183 HydrophobicContact CE1-CG 3.96Å; F47-P183 HydrophobicContact CE2-CG 4.24Å; F47-P183 WeakPolarHBondContact CE2-O 3.26Å; F47-P183 HydrophobicContact CG-CG 4.33Å; F47-P183 HydrophobicContact CZ-CG 4.01Å; F47-I185 HydrophobicContact CE2-CD1 3.89Å; F47-I185 HydrophobicContact CE2-CG1 4.09Å; F47-I185 HydrophobicContact CZ-CD1 3.58Å; F47-I185 HydrophobicContact CZ-CG1 3.7Å
48R94.5Very high89.8Confident87 Ų8758.6 Ų58.633%0.32827%0.269SS..Hα-helixtrans-60.9-44177.8-177.9-178.9169.6-144.7-9.4111.6E18 L25 L44 D45 G46 L50 F51 H52E18-R48 IonicContact OE1-NE 2.76Å; E18-R48 IonicContact OE1-NH2 2.82Å; L25-R48 HydrophobicContact CD1-CB 4.3Å; L44-R48 WeakPolarHBondContact O-CB 3.38Å; L44-R48 PolarHBondContact O-N 3.38Å; D45-R48 PolarHBondContact O-N 3.45Å; G46-R48 PolarHBondContact O-N 3.45Å; R48-L50 VanDerWaalsContact C-N 3.31Å; R48-L50 PolarHBondContact O-N 2.94Å; R48-F51 PolarHBondContact O-N 3.4Å; R48-H52 WeakPolarHBondContact O-CB 3.44Å; R48-H52 PolarHBondContact O-N 3.39Å
49K92.8Very high88.5Confident126 Ų12656.1 Ų56.155%0.54827%0.272SS..Hα-helixtrans-59.5-43.2174.9-71.7175.1-177.5-179.10111.4D45 G46 F47 H52 R53D45-K49 WeakPolarHBondContact O-CG 3.44Å; D45-K49 PolarHBondContact O-N 3.45Å; G46-K49 PolarHBondContact O-N 3.19Å; F47-K49 PolarHBondContact O-N 3.33Å; K49-H52 PolarHBondContact O-N 3.09Å; K49-R53 WeakPolarHBondContact O-CG 3.17Å; K49-R53 PolarHBondContact O-N 3.2Å; K49-R53 VanDerWaalsContact O-N 3.11Å
50L93.6Very high87.3Confident17 Ų1756.4 Ų56.49%0.08928%0.281CS..Hα-helixtrans-64.8-43.1177.7-172.864000111.9G46 F47 R48 R53 F54 Y182 I341 L357 T359G46-L50 PolarHBondContact O-N 3.34Å; F47-L50 WeakPolarHBondContact O-CB 3.21Å; F47-L50 PolarHBondContact O-N 2.88Å; R48-L50 VanDerWaalsContact C-N 3.31Å; R48-L50 PolarHBondContact O-N 2.94Å; L50-R53 PolarHBondContact O-N 3.22Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 PolarHBondContact O-N 3.26Å; L50-Y182 HydrophobicContact CD2-CD2 4.32Å; L50-Y182 HydrophobicContact CD2-CE2 4.03Å; L50-I341 HydrophobicContact CD1-CD1 3.97Å; L50-I341 HydrophobicContact CD1-CG1 3.83Å; L50-I341 HydrophobicContact CD1-CG2 4.43Å; L50-L357 HydrophobicContact CD2-CB 3.67Å; L50-L357 WeakPolarHBondContact CD2-O 3.29Å; L50-L357 HydrophobicContact CG-CB 4.11Å; L50-T359 HydrophobicContact CD1-CG2 3.99Å
51F93.6Very high86.2Confident1 Ų158.2 Ų58.20%0.00429%0.294CS..Hα-helixtrans-65.3-42.3177.7-171.6-100.9000112.2V21 F47 R48 R53 F54 L55 I185 L190 L357V21-F51 HydrophobicContact CB-CD1 4.5Å; V21-F51 HydrophobicContact CB-CE1 4.21Å; V21-F51 HydrophobicContact CG1-CD1 4.33Å; V21-F51 HydrophobicContact CG1-CE1 4.45Å; V21-F51 HydrophobicContact CG2-CD1 4.35Å; V21-F51 HydrophobicContact CG2-CE1 3.66Å; V21-F51 HydrophobicContact CG2-CZ 3.82Å; F47-F51 WeakPolarHBondContact O-CB 3.41Å; F47-F51 PolarHBondContact O-N 2.88Å; R48-F51 PolarHBondContact O-N 3.4Å; F51-R53 VanDerWaalsContact C-N 3.34Å; F51-R53 PolarHBondContact O-N 3.46Å; F51-F54 HydrophobicContact CD2-CD1 4.24Å; F51-F54 HydrophobicContact CE2-CD1 4.19Å; F51-F54 HydrophobicContact CE2-CE1 4.46Å; F51-F54 WeakPolarHBondContact O-CB 3.3Å; F51-F54 PolarHBondContact O-N 2.89Å; F51-L55 HydrophobicContact CD1-CD1 4.06Å; F51-L55 HydrophobicContact CD1-CG 4.37Å; F51-L55 HydrophobicContact CE1-CD1 3.57Å; F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CZ-CD1 4.21Å; F51-L55 HydrophobicContact CZ-CD2 4.3Å; F51-L55 HydrophobicContact CZ-CG 4.33Å; F51-L55 PolarHBondContact O-N 3.05Å; F51-I185 HydrophobicContact CD2-CD1 3.52Å; F51-I185 HydrophobicContact CE2-CD1 3.66Å; F51-L190 HydrophobicContact CZ-CB 4.46Å; F51-L357 HydrophobicContact CB-CD1 4.5Å; F51-L357 HydrophobicContact CD2-CD1 3.95Å
52H91.9Very high85.3Confident67 Ų6754.3 Ų54.331%0.3128%0.277SS..Hα-helixtrans-57.2-48174.5179.177.7000111.3E18 R48 K49 F54 L55 Q56E18-H52 VanDerWaalsContact CD-ND1 3.33Å; E18-H52 IonicContact OE1-CG 3.53Å; E18-H52 IonicContact OE1-ND1 3.15Å; E18-H52 PolarHBondContact OE1-ND1 3.03Å; E18-H52 IonicContact OE2-CE1 2.61Å; E18-H52 IonicContact OE2-CG 3.86Å; E18-H52 IonicContact OE2-ND1 3.21Å; E18-H52 PolarHBondContact OE2-ND1 2.82Å; R48-H52 WeakPolarHBondContact O-CB 3.44Å; R48-H52 PolarHBondContact O-N 3.39Å; K49-H52 PolarHBondContact O-N 3.09Å; H52-F54 PolarHBondContact O-N 3.15Å; H52-L55 PolarHBondContact O-N 3.22Å; H52-Q56 PolarHBondContact CE1-NE2 2.99Å; H52-Q56 PolarHBondContact NE2-NE2 3.48Å; H52-Q56 WeakPolarHBondContact O-CG 3.49Å; H52-Q56 PolarHBondContact O-N 2.84Å; H52-Q56 VanDerWaalsContact O-N 3.11Å
53R90.7Very high84.7Confident61 Ų6153.8 Ų53.823%0.2328%0.279CS..Hα-helixtrans-62.3-41.4175.5-73.3-176.556.9-176.2-1.3112.9K49 L50 F51 L55 Q56 E57 D338 M339 I341K49-R53 WeakPolarHBondContact O-CG 3.17Å; K49-R53 PolarHBondContact O-N 3.2Å; K49-R53 VanDerWaalsContact O-N 3.11Å; L50-R53 PolarHBondContact O-N 3.22Å; F51-R53 VanDerWaalsContact C-N 3.34Å; F51-R53 PolarHBondContact O-N 3.46Å; R53-L55 VanDerWaalsContact C-N 3.26Å; R53-L55 PolarHBondContact O-N 3.27Å; R53-Q56 WeakPolarHBondContact O-CB 3.33Å; R53-Q56 PolarHBondContact O-N 2.88Å; R53-E57 IonicContact CZ-OE1 2.68Å; R53-E57 IonicContact NE-OE1 3.7Å; R53-E57 IonicContact NH2-OE1 2.72Å; R53-E57 PolarHBondContact NH2-OE1 3.48Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.01Å; R53-D338 IonicContact CZ-OD1 3.89Å; R53-D338 IonicContact NH1-OD1 3.56Å; R53-D338 PolarHBondContact NH1-OD1 3.21Å; R53-D338 VanDerWaalsContact NH1-OD1 3.15Å; R53-D338 IonicContact NH2-OD1 3.58Å; R53-D338 PolarHBondContact NH2-OD1 3.17Å; R53-M339 PolarHBondContact NH2-O 3.19Å; R53-I341 HydrophobicContact CB-CD1 3.68Å
54F90.5Very high84.2Confident51 Ų5154.9 Ų54.922%0.22428%0.282CS..Hα-helixtrans-57.6-39.4175.7163.9-104.1000112.2L50 F51 H52 I341 V343 L357L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 PolarHBondContact O-N 3.26Å; F51-F54 HydrophobicContact CD2-CD1 4.24Å; F51-F54 HydrophobicContact CE2-CD1 4.19Å; F51-F54 HydrophobicContact CE2-CE1 4.46Å; F51-F54 WeakPolarHBondContact O-CB 3.3Å; F51-F54 PolarHBondContact O-N 2.89Å; H52-F54 PolarHBondContact O-N 3.15Å; F54-I341 HydrophobicContact CB-CD1 3.9Å; F54-I341 VanDerWaalsContact N-CD1 3.31Å; F54-V343 HydrophobicContact CD2-CG2 3.92Å; F54-V343 HydrophobicContact CE2-CG1 4.37Å; F54-V343 HydrophobicContact CE2-CG2 3.77Å; F54-L357 HydrophobicContact CB-CD1 3.93Å; F54-L357 HydrophobicContact CB-CD2 4.49Å; F54-L357 HydrophobicContact CD1-CD1 4.22Å; F54-L357 HydrophobicContact CD2-CD2 3.85Å; F54-L357 HydrophobicContact CE2-CD2 4.2Å; F54-L357 HydrophobicContact CG-CD1 4.02Å; F54-L357 HydrophobicContact CG-CD2 4.02Å
55L88.3Confident83.8Confident20 Ų2057.8 Ų57.811%0.10531%0.314CS..Hα-helixtrans-71.3-31175.1-65.8-178.3000112.7R14 E18 F51 H52 R53R14-L55 PolarHBondContact NH1-O 3.13Å; R14-L55 PolarHBondContact NH2-O 3.1Å; E18-L55 HydrophobicContact CB-CD1 4.38Å; F51-L55 HydrophobicContact CD1-CD1 4.06Å; F51-L55 HydrophobicContact CD1-CG 4.37Å; F51-L55 HydrophobicContact CE1-CD1 3.57Å; F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CZ-CD1 4.21Å; F51-L55 HydrophobicContact CZ-CD2 4.3Å; F51-L55 HydrophobicContact CZ-CG 4.33Å; F51-L55 PolarHBondContact O-N 3.05Å; H52-L55 PolarHBondContact O-N 3.22Å; R53-L55 VanDerWaalsContact C-N 3.26Å; R53-L55 PolarHBondContact O-N 3.27Å
56Q85.2Confident83.6Confident113 Ų11358.9 Ų58.953%0.52832%0.316SS..Hα-helixtrans-73.2-42.8178.9-74-179.6-18.600113.1H52 R53 K58H52-Q56 PolarHBondContact CE1-NE2 2.99Å; H52-Q56 PolarHBondContact NE2-NE2 3.48Å; H52-Q56 WeakPolarHBondContact O-CG 3.49Å; H52-Q56 PolarHBondContact O-N 2.84Å; H52-Q56 VanDerWaalsContact O-N 3.11Å; R53-Q56 WeakPolarHBondContact O-CB 3.33Å; R53-Q56 PolarHBondContact O-N 2.88Å; Q56-K58 PolarHBondContact O-N 3.43Å
57E78.8Confident83.3Confident75 Ų7559.3 Ų59.335%0.3531%0.313SS..  trans-69.688.5-176.4-68.6179.1-162.600111.1R53R53-E57 IonicContact CZ-OE1 2.68Å; R53-E57 IonicContact NE-OE1 3.7Å; R53-E57 IonicContact NH2-OE1 2.72Å; R53-E57 PolarHBondContact NH2-OE1 3.48Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.01Å
58K60Low83Confident124 Ų12465 Ų6554%0.53934%0.339SS..  trans-91.9102.2171-67.1-154.3-125.8-142.30110.9R14 Q56R14-K58 VanDerWaalsContact CZ-NZ 3.33Å; R14-K58 VanDerWaalsContact NH1-CE 3.26Å; Q56-K58 PolarHBondContact O-N 3.43Å
59G63.4Low82.6Confident53 Ų5368.7 Ų68.755%0.54635%0.354SS..SBendtrans118.5-174.4167.700000114.1S61G59-S61 PolarHBondContact O-N 3.31Å
60P61.3Low82.4Confident91 Ų9164.4 Ų64.459%0.59134%0.338SS*.  trans-59.6126.6177.4-17.129.5000109.8V62 P300P60-V62 PolarHBondContact O-N 3.22Å; P60-P300 HydrophobicContact CB-CG 4.34Å
61S66.7Low82.1Confident43 Ų4366.1 Ų66.130%0.30135%0.351SS..SBendtrans-63.4-7.3179.3-46.10000113.7G59 R292G59-S61 PolarHBondContact O-N 3.31Å; S61-R292 PolarHBondContact O-NH1 3.38Å; S61-R292 PolarHBondContact O-NH2 2.65Å
62V74.6Confident81.5Confident2 Ų274.9 Ų74.91%0.01239%0.392CS..SBendtrans-140.9127.6-176.9-166.20000109.7P60 I67 Y287 Q298P60-V62 PolarHBondContact O-N 3.22Å; V62-I67 HydrophobicContact CB-CD1 4.42Å; V62-I67 HydrophobicContact CG1-CD1 3.48Å; V62-I67 VanDerWaalsContact CG1-CD1 3.48Å; V62-I67 HydrophobicContact CG1-CG1 3.41Å; V62-I67 VanDerWaalsContact CG1-CG1 3.41Å; V62-Y287 HydrophobicContact CG1-CD2 3.67Å; V62-Y287 HydrophobicContact CG1-CE2 3.48Å; V62-Y287 VanDerWaalsContact CG1-CE2 3.48Å; V62-Q298 HydrophobicContact CG2-CB 4.05Å
63D81.9Confident81.2Confident86 Ų8678.1 Ų78.146%0.4641%0.411SS..  trans-78.2117.2165.6-179.4-5000109.3G65 K66D63-G65 PolarHBondContact O-N 3.31Å; D63-G65 PolarHBondContact OD1-N 2.98Å; D63-K66 HydrophobicContact CB-CB 4.46Å; D63-K66 HydrophobicContact CB-CD 4.24Å; D63-K66 HydrophobicContact CB-CG 4.25Å; D63-K66 PolarHBondContact O-N 3.2Å
64W83.3Confident81.2Confident33 Ų3376.2 Ų76.213%0.12541%0.407CS..G310 helixtrans-56.2-35.5-178.4-171.7-100000112.4K66 I67 V299 P300 H303 E306 F307 F313W64-K66 PolarHBondContact O-N 2.97Å; W64-I67 HydrophobicContact CD2-CD1 4.28Å; W64-I67 HydrophobicContact CE3-CD1 3.58Å; W64-I67 HydrophobicContact CZ3-CD1 3.95Å; W64-I67 PolarHBondContact O-N 3.4Å; W64-V299 HydrophobicContact CE3-CG1 3.81Å; W64-V299 HydrophobicContact CH2-CG1 4.26Å; W64-V299 HydrophobicContact CZ3-CB 4.27Å; W64-V299 HydrophobicContact CZ3-CG1 3.45Å; W64-V299 VanDerWaalsContact CZ3-CG1 3.45Å; W64-V299 HydrophobicContact CZ3-CG2 3.9Å; W64-P300 HydrophobicContact CB-CG 4.43Å; W64-H303 AromaticContact CD1-CD2 3.65Å; W64-H303 AromaticContact CD1-CE1 3.59Å; W64-H303 AromaticContact CD1-CG 3.51Å; W64-H303 AromaticContact CD1-ND1 3.46Å; W64-H303 AromaticContact CD1-NE2 3.72Å; W64-H303 HydrophobicContact CD2-CB 3.54Å; W64-H303 AromaticContact CD2-CG 3.71Å; W64-H303 AromaticContact CE2-CG 3.67Å; W64-H303 AromaticContact CE2-ND1 3.84Å; W64-H303 HydrophobicContact CE3-CB 3.87Å; W64-H303 HydrophobicContact CG-CB 4.03Å; W64-H303 AromaticContact CG-CD2 3.63Å; W64-H303 AromaticContact CG-CG 3.65Å; W64-H303 HydrophobicContact CH2-CB 4.16Å; W64-H303 HydrophobicContact CZ2-CB 3.86Å; W64-H303 HydrophobicContact CZ3-CB 4.16Å; W64-H303 AromaticContact NE1-CE1 3.81Å; W64-H303 AromaticContact NE1-CG 3.5Å; W64-H303 AromaticContact NE1-ND1 3.27Å; W64-H303 PolarHBondContact NE1-ND1 3.37Å; W64-E306 HydrophobicContact CZ2-CB 4.03Å; W64-E306 VanDerWaalsContact CZ2-CD 3.43Å; W64-E306 HydrophobicContact CZ2-CG 3.84Å; W64-E306 PolarHBondContact NE1-OE2 3.33Å; W64-F307 HydrophobicContact CH2-CB 3.87Å; W64-F307 HydrophobicContact CH2-CD2 4.19Å; W64-F307 HydrophobicContact CZ3-CB 4.23Å; W64-F307 HydrophobicContact CZ3-CD2 4.17Å; W64-F313 AromaticContact CH2-CE2 3.9Å; W64-F313 HydrophobicContact CH2-CE2 3.9Å; W64-F313 HydrophobicContact CH2-CZ 4.16Å; W64-F313 HydrophobicContact CZ2-CE2 4.38Å
65G85.6Confident81.4Confident69 Ų6975 Ų7571%0.71140%0.403SS*.G310 helixtrans-67.2-20.9-179.200000114D63D63-G65 PolarHBondContact O-N 3.31Å; D63-G65 PolarHBondContact OD1-N 2.98Å
66K88.6Confident81.7Confident99 Ų9976.7 Ų76.743%0.4341%0.41SS..G310 helixtrans-94.6-8.8178.1-65.5-176.3-178.3-178.50113.4D63 W64 Q68 Y287 E288D63-K66 HydrophobicContact CB-CB 4.46Å; D63-K66 HydrophobicContact CB-CD 4.24Å; D63-K66 HydrophobicContact CB-CG 4.25Å; D63-K66 PolarHBondContact O-N 3.2Å; W64-K66 PolarHBondContact O-N 2.97Å; K66-Q68 PolarHBondContact O-N 2.92Å; K66-Y287 HydrophobicContact CB-CD2 4.01Å; K66-Y287 HydrophobicContact CB-CE2 3.52Å; K66-Y287 HydrophobicContact CD-CE2 4.24Å; K66-E288 IonicContact NZ-OE1 2.71Å; K66-E288 PolarHBondContact NZ-OE1 2.87Å
67I88.2Confident82.2Confident27 Ų2773.5 Ų73.514%0.13840%0.399CS..  trans-71.9121.7177.6-60178.6000108.8V62 W64 T285 Y287 F313V62-I67 HydrophobicContact CB-CD1 4.42Å; V62-I67 HydrophobicContact CG1-CD1 3.48Å; V62-I67 VanDerWaalsContact CG1-CD1 3.48Å; V62-I67 HydrophobicContact CG1-CG1 3.41Å; V62-I67 VanDerWaalsContact CG1-CG1 3.41Å; W64-I67 HydrophobicContact CD2-CD1 4.28Å; W64-I67 HydrophobicContact CE3-CD1 3.58Å; W64-I67 HydrophobicContact CZ3-CD1 3.95Å; W64-I67 PolarHBondContact O-N 3.4Å; I67-T285 HydrophobicContact CG2-CG2 3.84Å; I67-Y287 HydrophobicContact CG1-CD2 4.22Å; I67-F313 HydrophobicContact CG2-CZ 4.48Å
68Q88.6Confident83.1Confident119 Ų11971 Ų7156%0.55639%0.387SS*.BIsolated β-bridgetrans-114.9155.5176.2-63179.312.600110.3K66 Q286K66-Q68 PolarHBondContact O-N 2.92Å; Q68-Q286 HydrophobicContact CB-CB 4.28Å; Q68-Q286 PolarHBondContact N-O 2.87Å; Q68-Q286 PolarHBondContact O-N 2.84Å
69R86.7Confident84.8Confident166 Ų16670.8 Ų70.863%0.62639%0.388SS*.PPolyproline II helixtrans-65.2142.6170.7-68.8179.4-179.7163.82.2108.7
70P88Confident86.2Confident35 Ų3575 Ų7523%0.22739%0.391CS..PPolyproline II helixtrans-59.9138.9175.826.5-33000109.8I75 L291P70-I75 HydrophobicContact CB-CD1 3.67Å; P70-I75 HydrophobicContact CB-CG1 4.06Å; P70-I75 HydrophobicContact CG-CD1 3.49Å; P70-I75 VanDerWaalsContact CG-CD1 3.49Å; P70-I75 HydrophobicContact CG-CG1 4.33Å; P70-L291 HydrophobicContact CB-CD2 4Å
71P87.4Confident87.8Confident54 Ų5470.8 Ų70.835%0.35136%0.363SS..PPolyproline II helixtrans-55.3150.9172.2-25.533.6000111.8D73 S74 Q286P71-D73 PolarHBondContact O-N 3.31Å; P71-S74 WeakPolarHBondContact CD-OG 3.47Å; P71-S74 PolarHBondContact O-N 2.81Å; P71-S74 PolarHBondContact O-OG 3.33Å; P71-Q286 VanDerWaalsContact CD-OE1 3.22Å
72E81.3Confident89.1Confident185 Ų18573.8 Ų73.886%0.86437%0.371SS*.G310 helixtrans-59.6-36.3-177.8-66.1-169.617300112.7S74 I75E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 3.3Å; E72-I75 VanDerWaalsContact O-O 3.12Å
73D86.1Confident90Very high135 Ų13577.9 Ų77.972%0.72241%0.405SS*.G310 helixtrans-78.2-16.7179.8-68.7-33.8000113.7P71 I75P71-D73 PolarHBondContact O-N 3.31Å; D73-I75 VanDerWaalsContact C-N 3.27Å; D73-I75 PolarHBondContact O-N 3.02Å
74S90.8Very high90.3Very high21 Ų2178.7 Ų78.715%0.14740%0.402CS..G310 helixtrans-79.1-14.9-179.977.10000112.4P71 E72 G373P71-S74 WeakPolarHBondContact CD-OG 3.47Å; P71-S74 PolarHBondContact O-N 2.81Å; P71-S74 PolarHBondContact O-OG 3.33Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 3.3Å; S74-G373 PolarHBondContact O-N 2.82Å
75I94.4Very high90.6Very high25 Ų2578.4 Ų78.413%0.12841%0.409CS..EExtended strand (participates in β ladder)trans-131.1104.7175.2-52.2-173000110P70 E72 D73 V271 L284 I315 G373 N375P70-I75 HydrophobicContact CB-CD1 3.67Å; P70-I75 HydrophobicContact CB-CG1 4.06Å; P70-I75 HydrophobicContact CG-CD1 3.49Å; P70-I75 VanDerWaalsContact CG-CD1 3.49Å; P70-I75 HydrophobicContact CG-CG1 4.33Å; E72-I75 VanDerWaalsContact O-O 3.12Å; D73-I75 VanDerWaalsContact C-N 3.27Å; D73-I75 PolarHBondContact O-N 3.02Å; I75-V271 HydrophobicContact CG2-CG2 3.84Å; I75-L284 HydrophobicContact CD1-CB 4.25Å; I75-L284 HydrophobicContact CD1-CD2 3.95Å; I75-L284 HydrophobicContact CG1-CD2 4.27Å; I75-I315 HydrophobicContact CD1-CD1 3.22Å; I75-I315 HydrophobicContact CG2-CD1 4.49Å; I75-G373 CarbonylContact C-O 3.6Å; I75-G373 VanDerWaalsContact CA-O 3.25Å; I75-G373 WeakPolarHBondContact CA-O 3.5Å; I75-N375 HydrophobicContact CG2-CB 4.32Å
76Q94.5Very high90.9Very high55 Ų5578.9 Ų78.926%0.25740%0.395SS..EExtended strand (participates in β ladder)trans-88.9136.8-176.9-67.1-176.1900111.9I81 H255 L372 G373 I374 N375Q76-I81 HydrophobicContact CB-CD1 4.24Å; Q76-H255 PolarHBondContact OE1-CE1 3Å; Q76-L372 HydrophobicContact CG-CD1 4.28Å; Q76-G373 PolarHBondContact N-O 3.32Å; Q76-I374 CarbonylContact O-C 3.54Å; Q76-I374 WeakPolarHBondContact O-CA 3.32Å; Q76-N375 PolarHBondContact O-N 2.83Å
77P96.6Very high90.9Very high47 Ų4774.6 Ų74.631%0.30538%0.377SS..EExtended strand (participates in β ladder)trans-62.3135.7167.6-20.532000111.2E79 K80P77-E79 PolarHBondContact O-N 3.49Å; P77-K80 HydrophobicContact CB-CG 4.38Å; P77-K80 HydrophobicContact CG-CD 4.39Å; P77-K80 HydrophobicContact CG-CG 4.43Å; P77-K80 WeakPolarHBondContact O-CB 3.47Å; P77-K80 PolarHBondContact O-N 2.94Å; P77-K80 VanDerWaalsContact O-N 3.08Å
78Y96.9Very high90.8Very high23 Ų2382 Ų829%0.0942%0.417CS..Hα-helixtrans-57.2-33178.1175.1-100000112.8K80 I81 K82 D249 Y251 I252 N375 V376 P377Y78-K80 VanDerWaalsContact C-N 3.26Å; Y78-K80 PolarHBondContact O-N 2.61Å; Y78-I81 WeakPolarHBondContact O-CB 3.4Å; Y78-I81 PolarHBondContact O-N 3.02Å; Y78-K82 HydrophobicContact CE1-CB 4.19Å; Y78-K82 HydrophobicContact CE1-CD 4.02Å; Y78-K82 WeakPolarHBondContact O-CB 3.49Å; Y78-K82 PolarHBondContact O-N 3.42Å; Y78-D249 WeakPolarHBondContact CE2-OD2 3.06Å; Y78-D249 VanDerWaalsContact CZ-OD2 3.29Å; Y78-D249 PolarHBondContact OH-OD2 2.83Å; Y78-Y251 WeakPolarHBondContact OH-CD2 3.5Å; Y78-I252 HydrophobicContact CD2-CD1 4.25Å; Y78-I252 HydrophobicContact CD2-CG1 4.17Å; Y78-I252 HydrophobicContact CE2-CD1 4.16Å; Y78-I252 HydrophobicContact CE2-CG1 3.97Å; Y78-N375 WeakPolarHBondContact CB-O 3.39Å; Y78-N375 PolarHBondContact N-O 3.2Å; Y78-V376 HydrophobicContact CD2-CG1 4.15Å; Y78-P377 HydrophobicContact CD1-CG 4.21Å; Y78-P377 HydrophobicContact CE1-CG 4.44Å
79E95.8Very high91Very high118 Ų11880.8 Ų80.855%0.55142%0.415SS*.Hα-helixtrans-60.5-35.9178.4-65.469.3-152.200111.9P77 I81 A83P77-E79 PolarHBondContact O-N 3.49Å; E79-I81 VanDerWaalsContact C-N 3.33Å; E79-A83 VanDerWaalsContact O-CB 3.27Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.23Å
80K93.8Very high91.3Very high142 Ų14274.3 Ų74.362%0.61739%0.392SS*.Hα-helixtrans-68.2-34.7175.5-65.5-167.8-177.5178.40111.8P77 Y78P77-K80 HydrophobicContact CB-CG 4.38Å; P77-K80 HydrophobicContact CG-CD 4.39Å; P77-K80 HydrophobicContact CG-CG 4.43Å; P77-K80 WeakPolarHBondContact O-CB 3.47Å; P77-K80 PolarHBondContact O-N 2.94Å; P77-K80 VanDerWaalsContact O-N 3.08Å; Y78-K80 VanDerWaalsContact C-N 3.26Å; Y78-K80 PolarHBondContact O-N 2.61Å
81I93.6Very high91.6Very high2 Ų274.4 Ų74.41%0.0139%0.394CS..Hα-helixtrans-72.3-46.8177.2-68.5155.9000110.1Q76 Y78 E79 A83 R84 Y251 H255 I374Q76-I81 HydrophobicContact CB-CD1 4.24Å; Y78-I81 WeakPolarHBondContact O-CB 3.4Å; Y78-I81 PolarHBondContact O-N 3.02Å; E79-I81 VanDerWaalsContact C-N 3.33Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.86Å; I81-R84 WeakPolarHBondContact O-CB 3.44Å; I81-R84 PolarHBondContact O-N 3.15Å; I81-R84 VanDerWaalsContact O-N 3.13Å; I81-Y251 WeakPolarHBondContact CG2-O 3.42Å; I81-H255 HydrophobicContact CG2-CB 3.84Å; I81-I374 HydrophobicContact CD1-CB 4.17Å; I81-I374 HydrophobicContact CD1-CD1 3.61Å; I81-I374 HydrophobicContact CD1-CG1 3.67Å; I81-I374 HydrophobicContact CD1-CG2 3.43Å; I81-I374 VanDerWaalsContact CD1-CG2 3.43Å
82K94.1Very high91.9Very high107 Ų10774.4 Ų74.447%0.46540%0.395SS..Hα-helixtrans-59.7-36.7176.2-172.6-179.6179.6-177.80112.1Y78 R84 G85 Y251Y78-K82 HydrophobicContact CE1-CB 4.19Å; Y78-K82 HydrophobicContact CE1-CD 4.02Å; Y78-K82 WeakPolarHBondContact O-CB 3.49Å; Y78-K82 PolarHBondContact O-N 3.42Å; K82-R84 PolarHBondContact O-N 2.71Å; K82-G85 PolarHBondContact O-N 3.43Å; K82-Y251 HydrophobicContact CB-CD1 4.4Å; K82-Y251 HydrophobicContact CB-CG 4.41Å; K82-Y251 HydrophobicContact CG-CD1 4.05Å; K82-Y251 HydrophobicContact CG-CD2 4.33Å; K82-Y251 HydrophobicContact CG-CE1 3.94Å; K82-Y251 HydrophobicContact CG-CE2 4.25Å; K82-Y251 HydrophobicContact CG-CG 4.23Å
83A93.8Very high92.6Very high88 Ų8866.1 Ų66.173%0.72736%0.357SS*.THydrogen-bonded Turntrans-62.5-20.217800000114.1E79 I81 G85E79-A83 VanDerWaalsContact O-CB 3.27Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.23Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.86Å; A83-G85 PolarHBondContact O-N 2.92Å
84R88.3Confident93.1Very high103 Ų10359.7 Ų59.739%0.38932%0.322SS..THydrogen-bonded Turntrans-72.9-12.1173.3-63.4-176.966.7-157.1-3.4113.2I81 K82 N258I81-R84 WeakPolarHBondContact O-CB 3.44Å; I81-R84 PolarHBondContact O-N 3.15Å; I81-R84 VanDerWaalsContact O-N 3.13Å; K82-R84 PolarHBondContact O-N 2.71Å; R84-N258 PolarHBondContact NH1-O 2.84Å; R84-N258 VanDerWaalsContact NH1-O 3.1Å; R84-N258 PolarHBondContact NH2-O 2.82Å
85G90.1Very high93.3Very high27 Ų2761.7 Ų61.728%0.27833%0.331SS..  trans81.2179.4-178.600000113.9K82 A83 N254K82-G85 PolarHBondContact O-N 3.43Å; A83-G85 PolarHBondContact O-N 2.92Å; G85-N254 PolarHBondContact O-ND2 3.33Å; G85-N254 VanDerWaalsContact O-ND2 3.13Å
86L90.6Very high93.5Very high79 Ų7964 Ų6441%0.41434%0.34SS..  trans-75155.5176.2-70.6170.8000110.4L250 Y251L86-L250 HydrophobicContact CD2-CB 3.73Å; L86-L250 HydrophobicContact CD2-CD1 4.19Å; L86-Y251 HydrophobicContact CD2-CD1 4.04Å; L86-Y251 HydrophobicContact CD2-CE1 3.64Å; L86-Y251 HydrophobicContact CD2-CE2 4.21Å; L86-Y251 HydrophobicContact CD2-CG 4.49Å; L86-Y251 HydrophobicContact CG-CD1 4.45Å; L86-Y251 HydrophobicContact CG-CE1 3.76Å
87P88.9Confident93.7Very high9 Ų961.4 Ų61.46%0.05833%0.328CS..  trans-68142.6173.825.9-26.9000110.2N89 I90 V93 N254P87-N89 PolarHBondContact O-N 3.18Å; P87-I90 HydrophobicContact CG-CG1 3.87Å; P87-V93 HydrophobicContact CB-CG1 4.38Å; P87-V93 HydrophobicContact CB-CG2 4.28Å; P87-V93 HydrophobicContact CG-CG2 3.79Å; P87-N254 HydrophobicContact CB-CB 4.11Å; P87-N254 HydrophobicContact CG-CB 4.09Å
88D87.4Confident93.8Very high181 Ų18159.1 Ų59.197%0.96831%0.314SS*.SBendtrans-57.6-34.3177.7-62.7-31.9000112.2
89N92Very high93.8Very high95 Ų9558.2 Ų58.251%0.50831%0.31SS..  trans-123.586.3176.7-170.4-20.2000111.1P87 S91 S92 V93P87-N89 PolarHBondContact O-N 3.18Å; N89-S91 VanDerWaalsContact C-N 3.3Å; N89-S91 PolarHBondContact O-N 3.1Å; N89-S91 PolarHBondContact OD1-N 3.46Å; N89-S92 PolarHBondContact O-N 2.99Å; N89-S92 PolarHBondContact OD1-N 3.05Å; N89-V93 PolarHBondContact O-N 2.94Å
90I93.5Very high94Very high29 Ų2952.6 Ų52.615%0.14928%0.284CS..Hα-helixtrans-58.5-41.9177.9-62.4167.6000111.2P87 S92 V93 L94 Y142 L250P87-I90 HydrophobicContact CG-CG1 3.87Å; I90-S92 VanDerWaalsContact C-N 3.34Å; I90-S92 PolarHBondContact O-N 2.93Å; I90-V93 WeakPolarHBondContact O-CG2 3.34Å; I90-V93 PolarHBondContact O-N 3Å; I90-L94 HydrophobicContact CG2-CD1 3.52Å; I90-L94 HydrophobicContact CG2-CG 4.06Å; I90-L94 WeakPolarHBondContact O-CB 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.22Å; I90-L94 PolarHBondContact O-N 3.01Å; I90-Y142 HydrophobicContact CB-CD1 4.08Å; I90-Y142 HydrophobicContact CB-CE1 4.28Å; I90-Y142 HydrophobicContact CD1-CD1 4.2Å; I90-Y142 HydrophobicContact CD1-CE1 3.59Å; I90-Y142 HydrophobicContact CG2-CD1 3.64Å; I90-Y142 HydrophobicContact CG2-CD2 4.13Å; I90-Y142 HydrophobicContact CG2-CE1 3.81Å; I90-Y142 HydrophobicContact CG2-CE2 4.28Å; I90-Y142 HydrophobicContact CG2-CG 3.8Å; I90-L250 HydrophobicContact CD1-CD1 4.28Å; I90-L250 HydrophobicContact CG2-CD1 3.94Å; I90-L250 HydrophobicContact CG2-CD2 4.04Å
91S93.6Very high94.2Very high38 Ų3846 Ų4627%0.26626%0.256SS..Hα-helixtrans-62.6-41-177.1-52.40000112.2N89 N95 Y142 T144N89-S91 VanDerWaalsContact C-N 3.3Å; N89-S91 PolarHBondContact O-N 3.1Å; N89-S91 PolarHBondContact OD1-N 3.46Å; S91-N95 WeakPolarHBondContact O-CB 3.43Å; S91-N95 VanDerWaalsContact O-CG 3.31Å; S91-N95 PolarHBondContact O-N 2.68Å; S91-N95 PolarHBondContact O-ND2 3.31Å; S91-Y142 PolarHBondContact OG-O 2.7Å; S91-T144 VanDerWaalsContact CA-CG2 3.46Å
92S94Very high94.4Very high54 Ų5446.9 Ų46.938%0.37826%0.26SS..Hα-helixtrans-64.6-41.1178.6-177.70000112.7N89 I90N89-S92 PolarHBondContact O-N 2.99Å; N89-S92 PolarHBondContact OD1-N 3.05Å; I90-S92 VanDerWaalsContact C-N 3.34Å; I90-S92 PolarHBondContact O-N 2.93Å
93V95.2Very high94.6Very high10 Ų1041.8 Ų41.86%0.06124%0.238CC..Hα-helixtrans-74.7-36.2-179.3-63.50000111.7P87 N89 I90 K96 L253 M257P87-V93 HydrophobicContact CB-CG1 4.38Å; P87-V93 HydrophobicContact CB-CG2 4.28Å; P87-V93 HydrophobicContact CG-CG2 3.79Å; N89-V93 PolarHBondContact O-N 2.94Å; I90-V93 WeakPolarHBondContact O-CG2 3.34Å; I90-V93 PolarHBondContact O-N 3Å; V93-K96 PolarHBondContact O-N 2.83Å; V93-L253 HydrophobicContact CB-CD2 4.13Å; V93-L253 HydrophobicContact CB-CG 4.22Å; V93-L253 HydrophobicContact CG2-CD2 3.84Å; V93-L253 HydrophobicContact CG2-CG 4.23Å; V93-M257 HydrophobicContact CB-CG 4.23Å; V93-M257 HydrophobicContact CG1-CB 4.02Å; V93-M257 HydrophobicContact CG1-CG 4.26Å
94L96.3Very high94.5Very high0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-66.2-39.3176.2-77174.7000111.9I90 K96 L97 L138 Y142 T144 V146 V248 L250 L253I90-L94 HydrophobicContact CG2-CD1 3.52Å; I90-L94 HydrophobicContact CG2-CG 4.06Å; I90-L94 WeakPolarHBondContact O-CB 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.22Å; I90-L94 PolarHBondContact O-N 3.01Å; L94-K96 PolarHBondContact O-N 3.46Å; L94-K96 VanDerWaalsContact O-N 3.08Å; L94-L97 WeakPolarHBondContact O-CB 3.47Å; L94-L97 PolarHBondContact O-N 3.11Å; L94-L138 HydrophobicContact CD1-CD2 3.65Å; L94-L138 HydrophobicContact CD1-CG 4.1Å; L94-L138 HydrophobicContact CD2-CD1 4.07Å; L94-L138 HydrophobicContact CD2-CD2 3.97Å; L94-L138 HydrophobicContact CD2-CG 4.43Å; L94-L138 HydrophobicContact CG-CD2 4.32Å; L94-Y142 HydrophobicContact CD1-CD2 3.73Å; L94-Y142 HydrophobicContact CD1-CG 3.97Å; L94-T144 HydrophobicContact CB-CG2 3.91Å; L94-T144 HydrophobicContact CD1-CG2 4.11Å; L94-V146 HydrophobicContact CB-CG2 4.01Å; L94-V146 HydrophobicContact CD2-CG2 4.37Å; L94-V248 HydrophobicContact CD2-CG1 4.06Å; L94-L250 HydrophobicContact CD1-CD2 4.31Å; L94-L250 HydrophobicContact CD2-CD2 3.74Å; L94-L250 HydrophobicContact CG-CD2 4.13Å; L94-L253 HydrophobicContact CD2-CD2 3.74Å; L94-L253 HydrophobicContact CG-CD2 4.28Å
95N96.4Very high94.7Very high63 Ų6335.6 Ų35.634%0.33722%0.215SC..THydrogen-bonded Turntrans-63.6-15.9177.3-78.4-27.9000113.1S91 T144 D145 K233S91-N95 WeakPolarHBondContact O-CB 3.43Å; S91-N95 VanDerWaalsContact O-CG 3.31Å; S91-N95 PolarHBondContact O-N 2.68Å; S91-N95 PolarHBondContact O-ND2 3.31Å; N95-T144 WeakPolarHBondContact OD1-CB 3.27Å; N95-D145 PolarHBondContact OD1-N 3.02Å; N95-K233 WeakPolarHBondContact O-CD 3.34Å; N95-K233 WeakPolarHBondContact O-CE 3.46Å; N95-K233 PolarHBondContact O-NZ 2.79Å
96K97.5Very high94.7Very high74 Ų7436.8 Ų36.832%0.32221%0.214SC..THydrogen-bonded Turntrans-92.90.7173.7-65.4178.4169.8-159.90113.8V93 L94 E234 Y235 M257V93-K96 PolarHBondContact O-N 2.83Å; L94-K96 PolarHBondContact O-N 3.46Å; L94-K96 VanDerWaalsContact O-N 3.08Å; K96-E234 HydrophobicContact CB-CB 4.25Å; K96-E234 HydrophobicContact CB-CG 4.35Å; K96-E234 HydrophobicContact CD-CG 4.24Å; K96-E234 VanDerWaalsContact CD-OE1 3.32Å; K96-E234 WeakPolarHBondContact CD-OE1 3.37Å; K96-E234 VanDerWaalsContact CE-OE1 3.28Å; K96-E234 WeakPolarHBondContact CE-OE1 3.37Å; K96-E234 HydrophobicContact CG-CG 4.45Å; K96-E234 IonicContact NZ-OE1 2.7Å; K96-E234 PolarHBondContact NZ-OE1 3.18Å; K96-E234 PolarHBondContact O-N 2.87Å; K96-Y235 PolarHBondContact O-N 3.24Å; K96-M257 HydrophobicContact CB-CE 3.6Å; K96-M257 HydrophobicContact CB-SD 4.25Å; K96-M257 HydrophobicContact CD-SD 4.23Å
97L98.4Very high94.6Very high0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-103.2144.9-178.2-176.467.1000111.5L94 V99 F237 V248 L253 W322L94-L97 WeakPolarHBondContact O-CB 3.47Å; L94-L97 PolarHBondContact O-N 3.11Å; L97-V99 HydrophobicContact CD2-CG2 4.42Å; L97-F237 HydrophobicContact CD1-CB 4.02Å; L97-V248 HydrophobicContact CD2-CG1 3.53Å; L97-V248 HydrophobicContact CD2-CG2 4.15Å; L97-L253 HydrophobicContact CB-CD1 4.41Å; L97-L253 HydrophobicContact CD1-CD1 4.25Å; L97-L253 HydrophobicContact CD2-CD1 4.43Å; L97-L253 HydrophobicContact CD2-CD2 4.23Å; L97-W322 HydrophobicContact CD1-CE3 4.17Å; L97-W322 HydrophobicContact CD1-CZ3 3.95Å; L97-W322 HydrophobicContact CD2-CZ3 4.15Å
98V98.6Very high94.5Very high0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-120.7132.9166.2175.50000108.4V100 P147 V149 F228 K233 Y235 I236 F237V98-V100 HydrophobicContact CG1-CG2 4.14Å; V98-P147 HydrophobicContact CB-CG 4.18Å; V98-P147 HydrophobicContact CG1-CG 4.07Å; V98-P147 HydrophobicContact CG2-CG 3.79Å; V98-V149 HydrophobicContact CG1-CG2 3.54Å; V98-F228 HydrophobicContact CG1-CD2 4.25Å; V98-F228 HydrophobicContact CG1-CE2 4.08Å; V98-F228 HydrophobicContact CG1-CZ 4.32Å; V98-F228 HydrophobicContact CG2-CB 4.06Å; V98-F228 HydrophobicContact CG2-CD1 3.9Å; V98-F228 HydrophobicContact CG2-CD2 4.17Å; V98-F228 HydrophobicContact CG2-CE1 4.4Å; V98-F228 HydrophobicContact CG2-CG 3.78Å; V98-K233 HydrophobicContact CG2-CB 3.75Å; V98-K233 HydrophobicContact CG2-CD 4.08Å; V98-K233 HydrophobicContact CG2-CG 3.6Å; V98-Y235 PolarHBondContact N-O 3.48Å; V98-I236 HydrophobicContact CB-CG2 3.89Å; V98-I236 HydrophobicContact CG1-CG2 4.16Å; V98-I236 CarbonylContact O-C 3.58Å; V98-I236 VanDerWaalsContact O-CA 3.3Å; V98-I236 WeakPolarHBondContact O-CA 3.5Å; V98-F237 PolarHBondContact O-N 3.45Å
99V98.8Very high94.5Very high3 Ų331.9 Ų31.92%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-96.6124.6175.8179.10000109.2L97 I135 V146 P147 L148 V149 F237 V248L97-V99 HydrophobicContact CD2-CG2 4.42Å; V99-I135 HydrophobicContact CB-CD1 3.89Å; V99-I135 HydrophobicContact CG1-CD1 3.9Å; V99-I135 HydrophobicContact CG2-CD1 4.15Å; V99-V146 HydrophobicContact CG2-CG1 3.81Å; V99-P147 PolarHBondContact N-O 3.38Å; V99-L148 HydrophobicContact CB-CD1 4.46Å; V99-L148 HydrophobicContact CG1-CD1 4.08Å; V99-L148 CarbonylContact O-C 3.56Å; V99-L148 WeakPolarHBondContact O-CA 3.31Å; V99-V149 PolarHBondContact O-N 3.06Å; V99-F237 HydrophobicContact CG1-CD1 4.21Å; V99-V248 HydrophobicContact CG2-CG2 3.57Å
100V98.8Very high94.3Very high1 Ų127.4 Ų27.41%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-116.5125.4179-173.50000109.5V98 V149 I215 I236 F237 V238 S239V98-V100 HydrophobicContact CG1-CG2 4.14Å; V100-V149 CarbonylContact C-O 3.6Å; V100-V149 WeakPolarHBondContact CA-O 3.46Å; V100-V149 HydrophobicContact CG1-CB 4.44Å; V100-V149 HydrophobicContact CG2-CB 4.16Å; V100-V149 HydrophobicContact CG2-CG2 4.48Å; V100-I215 HydrophobicContact CG1-CD1 4.12Å; V100-I236 HydrophobicContact CG2-CB 3.96Å; V100-I236 HydrophobicContact CG2-CG2 3.95Å; V100-F237 PolarHBondContact N-O 3.34Å; V100-F237 VanDerWaalsContact O-O 3.11Å; V100-V238 HydrophobicContact CB-CG2 4.2Å; V100-V238 WeakPolarHBondContact O-CA 3.36Å; V100-S239 PolarHBondContact O-N 2.93Å
101K98.5Very high94Very high4 Ų428.2 Ų28.22%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-111129.6175-64.9-66.6-173.1176.50111.2N103 T131 L148 V149 L150 M151 S239 I241 A246K101-N103 PolarHBondContact O-N 3.48Å; K101-T131 HydrophobicContact CD-CG2 4.39Å; K101-T131 HydrophobicContact CG-CG2 4.01Å; K101-L148 HydrophobicContact CG-CD1 3.86Å; K101-V149 PolarHBondContact N-O 3.49Å; K101-L150 HydrophobicContact CB-CD2 3.95Å; K101-M151 PolarHBondContact O-N 3.24Å; K101-S239 WeakPolarHBondContact CA-O 3.38Å; K101-S239 WeakPolarHBondContact CD-OG 3.07Å; K101-S239 WeakPolarHBondContact CE-OG 3.45Å; K101-S239 PolarHBondContact NZ-OG 3.5Å; K101-I241 HydrophobicContact CB-CB 4.35Å; K101-I241 HydrophobicContact CB-CD1 3.97Å; K101-I241 HydrophobicContact CD-CD1 4.28Å; K101-I241 HydrophobicContact CG-CD1 3.91Å; K101-A246 PolarHBondContact NZ-O 2.83Å
102L98.3Very high93.7Very high19 Ų1928.2 Ų28.210%0.09919%0.188CC..EExtended strand (participates in β ladder)trans-74.5109.8173.5-56.8178000108.9M151 H212 I215 V238 S239 N240 I241L102-M151 HydrophobicContact CD2-CB 4.33Å; L102-M151 HydrophobicContact CD2-SD 3.54Å; L102-M151 VanDerWaalsContact CD2-SD 3.54Å; L102-H212 HydrophobicContact CD1-CB 3.82Å; L102-H212 HydrophobicContact CD2-CB 4.39Å; L102-I215 HydrophobicContact CD2-CD1 4.23Å; L102-V238 HydrophobicContact CD1-CG1 4.19Å; L102-V238 HydrophobicContact CD2-CG1 3.93Å; L102-V238 HydrophobicContact CG-CG1 3.97Å; L102-S239 PolarHBondContact N-O 3.04Å; L102-N240 WeakPolarHBondContact CD1-OD1 3.34Å; L102-I241 WeakPolarHBondContact O-CG2 3.25Å; L102-I241 PolarHBondContact O-N 3.21Å
103N97.3Very high93.2Very high1 Ų135 Ų351%0.00521%0.211CC..  trans-121.919.5-172.8-169.745.5000112.9K101 G105 S117 L150 M151 N152 T156 T160K101-N103 PolarHBondContact O-N 3.48Å; N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.16Å; N103-S117 WeakPolarHBondContact OD1-CB 3.39Å; N103-S117 PolarHBondContact OD1-OG 3.36Å; N103-L150 HydrophobicContact CB-CB 4.29Å; N103-M151 CarbonylContact C-O 3.51Å; N103-M151 VanDerWaalsContact C-O 3.24Å; N103-M151 VanDerWaalsContact CA-O 3.28Å; N103-M151 WeakPolarHBondContact CA-O 3.42Å; N103-M151 WeakPolarHBondContact CB-O 3.35Å; N103-M151 PolarHBondContact N-O 2.96Å; N103-N152 PolarHBondContact ND2-OD1 2.97Å; N103-T156 WeakPolarHBondContact O-CB 3.32Å; N103-T156 PolarHBondContact O-OG1 2.88Å; N103-T160 PolarHBondContact ND2-OG1 2.76Å
104G93.1Very high92.9Very high18 Ų1835.6 Ų35.619%0.18622%0.219CC..  trans-76.9-13.5179.200000115M151 S153G104-M151 PolarHBondContact N-O 3.2Å; G104-S153 PolarHBondContact O-OG 3.07Å
105G90.6Very high92.8Very high43 Ų4335.6 Ų35.644%0.44322%0.219SC..  trans-86.2140.5-171.400000114.5N103 K116N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.16Å; G105-K116 WeakPolarHBondContact O-CB 3.14Å; G105-K116 PolarHBondContact O-N 2.89Å
106L90.3Very high92.7Very high51 Ų5133.3 Ų33.327%0.26721%0.206SC..BIsolated β-bridgetrans-90.4155.3174.4-66.9170.6000112.3T108 N155 T156L106-T108 HydrophobicContact CB-CG2 3.97Å; L106-T108 HydrophobicContact CD1-CG2 4.31Å; L106-T108 PolarHBondContact O-N 3.33Å; L106-N155 HydrophobicContact CD1-CB 4.01Å; L106-N155 HydrophobicContact CD2-CB 4.01Å; L106-N155 HydrophobicContact CG-CB 4.11Å; L106-T156 HydrophobicContact CD2-CG2 3.93Å
107G89Confident92.5Very high0 Ų029.8 Ų29.80%019%0.191CC..SBendtrans-79.616.1174.800000115.3S109 M110 G111 C112 G114G107-S109 VanDerWaalsContact C-N 3.3Å; G107-S109 PolarHBondContact O-N 3.24Å; G107-M110 CarbonylContact O-C 3.45Å; G107-M110 WeakPolarHBondContact O-CA 3.19Å; G107-M110 PolarHBondContact O-N 2.95Å; G107-G111 PolarHBondContact O-N 3.23Å; G107-C112 CarbonylContact C-O 3.6Å; G107-C112 PolarHBondContact O-N 3.13Å; G107-G114 PolarHBondContact N-O 3.48Å
108T87.3Confident92.3Very high96 Ų9632.2 Ų32.259%0.58920%0.204SC*.G310 helixtrans-60.4-37-17049.80000113.3L106 M110 G111 C112L106-T108 HydrophobicContact CB-CG2 3.97Å; L106-T108 HydrophobicContact CD1-CG2 4.31Å; L106-T108 PolarHBondContact O-N 3.33Å; T108-M110 PolarHBondContact O-N 3.46Å; T108-M110 VanDerWaalsContact O-N 3.13Å; T108-G111 PolarHBondContact O-N 2.77Å; T108-C112 WeakPolarHBondContact CA-O 3.34Å; T108-C112 PolarHBondContact N-O 2.84Å; T108-C112 VanDerWaalsContact N-O 3.16Å
109S86.3Confident92.1Very high71 Ų7132.6 Ų32.650%0.49721%0.206SC..G310 helixtrans-56.9-24.9173.555.20000113.7G107G107-S109 VanDerWaalsContact C-N 3.3Å; G107-S109 PolarHBondContact O-N 3.24Å
110M88.7Confident91.8Very high0 Ų034.4 Ų34.40%023%0.225CC..G310 helixtrans-109.213.8178.3-51-175.864.100112G107 T108 C112 I119 T387 L390 T426 K427 V428G107-M110 CarbonylContact O-C 3.45Å; G107-M110 WeakPolarHBondContact O-CA 3.19Å; G107-M110 PolarHBondContact O-N 2.95Å; T108-M110 PolarHBondContact O-N 3.46Å; T108-M110 VanDerWaalsContact O-N 3.13Å; M110-C112 VanDerWaalsContact C-N 3.34Å; M110-C112 PolarHBondContact O-N 3.3Å; M110-I119 HydrophobicContact CB-CD1 4.35Å; M110-I119 HydrophobicContact SD-CD1 4.08Å; M110-T387 HydrophobicContact CE-CG2 3.69Å; M110-L390 HydrophobicContact CE-CD1 3.17Å; M110-L390 HydrophobicContact CE-CG 3.7Å; M110-T426 WeakPolarHBondContact CA-O 3.15Å; M110-K427 CarbonylContact O-C 3.52Å; M110-K427 WeakPolarHBondContact O-CA 3.4Å; M110-V428 HydrophobicContact CB-CG2 3.78Å; M110-V428 HydrophobicContact CE-CG2 3.83Å; M110-V428 PolarHBondContact O-N 2.97Å
111G87.7Confident91.4Very high46 Ų4634.3 Ų34.347%0.47422%0.224SC..THydrogen-bonded Turntrans77.89.8178.200000115.6G107 T108G107-G111 PolarHBondContact O-N 3.23Å; T108-G111 PolarHBondContact O-N 2.77Å
112C87Confident91Very high38 Ų3835.7 Ų35.726%0.25723%0.229SC..  trans-95.2134.4177.9-61.60000110.8G107 T108 M110 I119G107-C112 CarbonylContact C-O 3.6Å; G107-C112 PolarHBondContact O-N 3.13Å; T108-C112 WeakPolarHBondContact CA-O 3.34Å; T108-C112 PolarHBondContact N-O 2.84Å; T108-C112 VanDerWaalsContact N-O 3.16Å; M110-C112 VanDerWaalsContact C-N 3.34Å; M110-C112 PolarHBondContact O-N 3.3Å; C112-I119 HydrophobicContact CB-CD1 4.19Å; C112-I119 HydrophobicContact CB-CG1 4.23Å
113K83.6Confident90.5Very high197 Ų19740.6 Ų40.686%0.85726%0.256SS*.SBendtrans-80-23.1-179.7-68-174177.1-175.30114.1
114G89.1Confident90.1Very high22 Ų2249.5 Ų49.523%0.22730%0.297CS..SBendtrans-91-175.3-176.600000114.9G107 K116G107-G114 PolarHBondContact N-O 3.48Å; G114-K116 PolarHBondContact O-N 3.05Å
115P93.3Very high90.2Very high1 Ų150.1 Ų50.11%0.00630%0.296CS..BIsolated β-bridgetrans-51.8136.4172.8-18.122.2000111.6S117 L118 T156 D159P115-S117 PolarHBondContact O-N 2.94Å; P115-L118 HydrophobicContact CB-CD1 4.38Å; P115-L118 HydrophobicContact CB-CG 4.13Å; P115-L118 HydrophobicContact CG-CD1 3.91Å; P115-L118 HydrophobicContact CG-CG 4.2Å; P115-L118 PolarHBondContact O-N 2.82Å; P115-L118 VanDerWaalsContact O-N 3.09Å; P115-T156 HydrophobicContact CB-CG2 3.75Å; P115-T156 HydrophobicContact CG-CG2 3.92Å; P115-D159 HydrophobicContact CG-CB 3.87Å
116K94Very high90.5Very high14 Ų1449 Ų496%0.06128%0.281CS..G310 helixtrans-60.4-29.6179.2-170.7171.8-179.2-177.40112.5G105 G114 L118 I119 F127 D242 V384G105-K116 WeakPolarHBondContact O-CB 3.14Å; G105-K116 PolarHBondContact O-N 2.89Å; G114-K116 PolarHBondContact O-N 3.05Å; K116-L118 PolarHBondContact O-N 3.27Å; K116-I119 HydrophobicContact CG-CD1 4Å; K116-I119 WeakPolarHBondContact O-CB 3.41Å; K116-I119 WeakPolarHBondContact O-CG1 3.34Å; K116-I119 PolarHBondContact O-N 2.89Å; K116-I119 VanDerWaalsContact O-N 3.14Å; K116-F127 VanDerWaalsContact O-CD2 3.29Å; K116-F127 WeakPolarHBondContact O-CD2 3.39Å; K116-D242 HydrophobicContact CD-CB 4.08Å; K116-D242 WeakPolarHBondContact CE-OD2 3.22Å; K116-D242 IonicContact NZ-OD2 3.87Å; K116-D242 PolarHBondContact NZ-OD2 2.94Å; K116-V384 VanDerWaalsContact CE-O 3.22Å; K116-V384 WeakPolarHBondContact CE-O 3.43Å; K116-V384 PolarHBondContact NZ-O 3.15Å
117S94.2Very high90.9Very high0 Ų046.6 Ų46.60%027%0.268CS..G310 helixtrans-60.6-22.1177.651.60000114.6N103 P115 T126 F127 L128N103-S117 WeakPolarHBondContact OD1-CB 3.39Å; N103-S117 PolarHBondContact OD1-OG 3.36Å; P115-S117 PolarHBondContact O-N 2.94Å; S117-T126 WeakPolarHBondContact O-CB 3.34Å; S117-F127 PolarHBondContact O-N 3.45Å; S117-L128 PolarHBondContact O-N 3.32Å
118L94.5Very high91.3Very high52 Ų5246.6 Ų46.627%0.27227%0.268SS..G310 helixtrans-88.8-3.6179.5-56.9-174.1000113.7P115 K116 G120 T126 I163P115-L118 HydrophobicContact CB-CD1 4.38Å; P115-L118 HydrophobicContact CB-CG 4.13Å; P115-L118 HydrophobicContact CG-CD1 3.91Å; P115-L118 HydrophobicContact CG-CG 4.2Å; P115-L118 PolarHBondContact O-N 2.82Å; P115-L118 VanDerWaalsContact O-N 3.09Å; K116-L118 PolarHBondContact O-N 3.27Å; L118-G120 PolarHBondContact O-N 2.89Å; L118-T126 VanDerWaalsContact O-CG2 3.24Å; L118-T126 WeakPolarHBondContact O-CG2 3.36Å; L118-I163 HydrophobicContact CD2-CD1 3.17Å; L118-I163 HydrophobicContact CD2-CG1 3.72Å
119I93.5Very high91.7Very high8 Ų842.2 Ų42.24%0.04124%0.241CC..SBendtrans-68.6127.7175.3-62178.8000108.2M110 C112 K116 V121 T126 F127 L390 V428M110-I119 HydrophobicContact CB-CD1 4.35Å; M110-I119 HydrophobicContact SD-CD1 4.08Å; C112-I119 HydrophobicContact CB-CD1 4.19Å; C112-I119 HydrophobicContact CB-CG1 4.23Å; K116-I119 HydrophobicContact CG-CD1 4Å; K116-I119 WeakPolarHBondContact O-CB 3.41Å; K116-I119 WeakPolarHBondContact O-CG1 3.34Å; K116-I119 PolarHBondContact O-N 2.89Å; K116-I119 VanDerWaalsContact O-N 3.14Å; I119-V121 PolarHBondContact O-N 2.98Å; I119-T126 VanDerWaalsContact O-CA 3.3Å; I119-T126 WeakPolarHBondContact O-CA 3.48Å; I119-F127 HydrophobicContact CB-CD2 4.36Å; I119-F127 HydrophobicContact CB-CE2 4.04Å; I119-F127 HydrophobicContact CG2-CE2 4.42Å; I119-L390 HydrophobicContact CG2-CD1 4.42Å; I119-V428 HydrophobicContact CG2-CG2 4.25Å
120G92.7Very high92.3Very high40 Ų4038.9 Ų38.941%0.41222%0.218SC..EExtended strand (participates in β ladder)trans-63.1123.8172.700000110.7L118L118-G120 PolarHBondContact O-N 2.89Å
121V91.2Very high92.7Very high0 Ų039.1 Ų39.10%022%0.219CC..EExtended strand (participates in β ladder)trans-103-51.7-177.4-178.40000110.6I119 N125 F127 L130 L244 L390 V393 M394I119-V121 PolarHBondContact O-N 2.98Å; V121-N125 PolarHBondContact N-O 3.41Å; V121-F127 HydrophobicContact CG2-CB 4.44Å; V121-F127 HydrophobicContact CG2-CD1 3.63Å; V121-F127 HydrophobicContact CG2-CD2 3.47Å; V121-F127 VanDerWaalsContact CG2-CD2 3.47Å; V121-F127 HydrophobicContact CG2-CE1 3.56Å; V121-F127 HydrophobicContact CG2-CE2 3.43Å; V121-F127 VanDerWaalsContact CG2-CE2 3.43Å; V121-F127 HydrophobicContact CG2-CG 3.57Å; V121-F127 HydrophobicContact CG2-CZ 3.46Å; V121-F127 VanDerWaalsContact CG2-CZ 3.46Å; V121-L130 HydrophobicContact CB-CD1 4.04Å; V121-L130 HydrophobicContact CG1-CD1 4.07Å; V121-L130 HydrophobicContact CG2-CD1 4.48Å; V121-L244 HydrophobicContact CG1-CD1 3.65Å; V121-L390 HydrophobicContact CG1-CD2 4.32Å; V121-V393 HydrophobicContact CG1-CG2 3.74Å; V121-M394 WeakPolarHBondContact O-CG 3.44Å
122R89.1Confident93.2Very high32 Ų3237 Ų3712%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-153.7129.5-173-171.6169.8-175.9167.110.1112.2E124 N125 Y398 L400R122-E124 PolarHBondContact O-N 3Å; R122-N125 PolarHBondContact N-O 2.86Å; R122-N125 WeakPolarHBondContact O-CB 3.44Å; R122-N125 PolarHBondContact O-N 2.87Å; R122-N125 PolarHBondContact O-ND2 3.31Å; R122-Y398 PolarHBondContact NH1-O 3.34Å; R122-Y398 PolarHBondContact NH2-O 3.15Å; R122-L400 HydrophobicContact CB-CD2 4.47Å; R122-L400 HydrophobicContact CG-CD2 4.19Å
123N87.9Confident93.7Very high122 Ų12237.9 Ų37.965%0.65220%0.198SC*.THydrogen-bonded Turntrans48.649-178.6-58.1-12.8000111.4N125N123-N125 PolarHBondContact O-N 3.46Å; N123-N125 PolarHBondContact O-ND2 3.48Å
124E89.6Confident94.3Very high188 Ų18829.8 Ų29.888%0.87916%0.163SC*.THydrogen-bonded Turntrans65.1-6.5-176.2-50.9179.9167.200115.8R122 T126R122-E124 PolarHBondContact O-N 3Å; E124-T126 PolarHBondContact O-N 3.17Å
125N95.6Very high94.7Very high32 Ų3228.9 Ų28.917%0.17115%0.153CC..EExtended strand (participates in β ladder)trans-72.6129.4174.9-59.2-68.4000110.7V121 R122 N123 D129 L130 Q133V121-N125 PolarHBondContact N-O 3.41Å; R122-N125 PolarHBondContact N-O 2.86Å; R122-N125 WeakPolarHBondContact O-CB 3.44Å; R122-N125 PolarHBondContact O-N 2.87Å; R122-N125 PolarHBondContact O-ND2 3.31Å; N123-N125 PolarHBondContact O-N 3.46Å; N123-N125 PolarHBondContact O-ND2 3.48Å; N125-D129 HydrophobicContact CB-CB 3.93Å; N125-L130 HydrophobicContact CB-CD2 3.87Å; N125-L130 HydrophobicContact CB-CG 4.14Å; N125-Q133 PolarHBondContact OD1-NE2 2.84Å
126T96.8Very high94.9Very high19 Ų1930.2 Ų30.212%0.11716%0.159CC..EExtended strand (participates in β ladder)trans-78.6170171.566.50000112S117 L118 I119 E124 L128 D129 L130S117-T126 WeakPolarHBondContact O-CB 3.34Å; L118-T126 VanDerWaalsContact O-CG2 3.24Å; L118-T126 WeakPolarHBondContact O-CG2 3.36Å; I119-T126 VanDerWaalsContact O-CA 3.3Å; I119-T126 WeakPolarHBondContact O-CA 3.48Å; E124-T126 PolarHBondContact O-N 3.17Å; T126-L128 PolarHBondContact O-N 2.95Å; T126-D129 WeakPolarHBondContact CB-OD2 3.24Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.37Å; T126-D129 PolarHBondContact N-OD2 3.49Å; T126-D129 WeakPolarHBondContact O-CB 3.43Å; T126-D129 PolarHBondContact O-N 2.83Å; T126-D129 PolarHBondContact OG1-N 2.88Å; T126-D129 VanDerWaalsContact OG1-N 3.14Å; T126-D129 PolarHBondContact OG1-OD2 3.45Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.49Å
127F96.9Very high95.1Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-57.6-37.9173-66.8-84.8000112.4K116 S117 I119 V121 T131 I241 D242 L244 V384K116-F127 VanDerWaalsContact O-CD2 3.29Å; K116-F127 WeakPolarHBondContact O-CD2 3.39Å; S117-F127 PolarHBondContact O-N 3.45Å; I119-F127 HydrophobicContact CB-CD2 4.36Å; I119-F127 HydrophobicContact CB-CE2 4.04Å; I119-F127 HydrophobicContact CG2-CE2 4.42Å; V121-F127 HydrophobicContact CG2-CB 4.44Å; V121-F127 HydrophobicContact CG2-CD1 3.63Å; V121-F127 HydrophobicContact CG2-CD2 3.47Å; V121-F127 VanDerWaalsContact CG2-CD2 3.47Å; V121-F127 HydrophobicContact CG2-CE1 3.56Å; V121-F127 HydrophobicContact CG2-CE2 3.43Å; V121-F127 VanDerWaalsContact CG2-CE2 3.43Å; V121-F127 HydrophobicContact CG2-CG 3.57Å; V121-F127 HydrophobicContact CG2-CZ 3.46Å; V121-F127 VanDerWaalsContact CG2-CZ 3.46Å; F127-T131 PolarHBondContact O-N 3.39Å; F127-T131 VanDerWaalsContact O-N 3.07Å; F127-T131 PolarHBondContact O-OG1 2.95Å; F127-I241 HydrophobicContact CB-CG1 4.04Å; F127-I241 WeakPolarHBondContact CD1-O 3.42Å; F127-D242 HydrophobicContact CE1-CB 4.26Å; F127-D242 HydrophobicContact CZ-CB 4.46Å; F127-L244 HydrophobicContact CD1-CD1 4.47Å; F127-L244 HydrophobicContact CD1-CD2 3.55Å; F127-L244 HydrophobicContact CD1-CG 4.04Å; F127-L244 HydrophobicContact CE1-CD1 4.05Å; F127-L244 HydrophobicContact CE1-CD2 3.96Å; F127-L244 HydrophobicContact CE1-CG 3.94Å; F127-V384 HydrophobicContact CE1-CB 3.79Å; F127-V384 HydrophobicContact CE1-CG1 4.37Å; F127-V384 HydrophobicContact CE1-CG2 3.96Å; F127-V384 HydrophobicContact CZ-CB 3.66Å; F127-V384 HydrophobicContact CZ-CG1 3.79Å; F127-V384 HydrophobicContact CZ-CG2 4.22Å
128L97.4Very high95.2Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-67.2-43.2176.9-175.460.5000111.3S117 T126 L130 T131 V132 L148 L150 I163 L164 Y167S117-L128 PolarHBondContact O-N 3.32Å; T126-L128 PolarHBondContact O-N 2.95Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L128-L130 PolarHBondContact O-N 2.88Å; L128-T131 PolarHBondContact O-N 3.19Å; L128-V132 HydrophobicContact CD1-CG2 4.22Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 2.79Å; L128-L148 HydrophobicContact CD1-CD2 4.36Å; L128-L150 HydrophobicContact CD1-CD1 3.8Å; L128-L150 HydrophobicContact CD1-CD2 3.91Å; L128-L150 HydrophobicContact CD1-CG 4.49Å; L128-L150 HydrophobicContact CD2-CD1 4.27Å; L128-I163 HydrophobicContact CD2-CD1 3.51Å; L128-L164 HydrophobicContact CD2-CD2 4.34Å; L128-Y167 HydrophobicContact CD2-CE2 3.67Å; L128-Y167 HydrophobicContact CG-CE2 4Å
129D97.4Very high95.3Very high5 Ų532.8 Ų32.83%0.02717%0.17CC..Hα-helixtrans-57.2-45.7175.9-66.4-43.8000111.6N125 T126 T131 V132 Q133 K166 Y167N125-D129 HydrophobicContact CB-CB 3.93Å; T126-D129 WeakPolarHBondContact CB-OD2 3.24Å; T126-D129 WeakPolarHBondContact CG2-OD2 3.37Å; T126-D129 PolarHBondContact N-OD2 3.49Å; T126-D129 WeakPolarHBondContact O-CB 3.43Å; T126-D129 PolarHBondContact O-N 2.83Å; T126-D129 PolarHBondContact OG1-N 2.88Å; T126-D129 VanDerWaalsContact OG1-N 3.14Å; T126-D129 PolarHBondContact OG1-OD2 3.45Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-T131 PolarHBondContact O-N 2.87Å; D129-V132 PolarHBondContact O-N 2.92Å; D129-Q133 WeakPolarHBondContact O-CB 3.23Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 3.45Å; D129-K166 WeakPolarHBondContact OD1-CE 3.3Å; D129-K166 IonicContact OD1-NZ 3.44Å; D129-K166 PolarHBondContact OD1-NZ 3.43Å; D129-K166 IonicContact OD2-NZ 2.7Å; D129-K166 PolarHBondContact OD2-NZ 3.34Å; D129-K166 VanDerWaalsContact OD2-NZ 3.13Å; D129-Y167 VanDerWaalsContact OD1-CE1 3.23Å; D129-Y167 WeakPolarHBondContact OD1-CE1 3Å; D129-Y167 VanDerWaalsContact OD1-CZ 3.29Å; D129-Y167 PolarHBondContact OD1-OH 2.77Å
130L97.3Very high95.5Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-61.8-43.1178.1-65.3177.7000111.4V121 N125 T126 L128 Q133 Q134 L244 L400V121-L130 HydrophobicContact CB-CD1 4.04Å; V121-L130 HydrophobicContact CG1-CD1 4.07Å; V121-L130 HydrophobicContact CG2-CD1 4.48Å; N125-L130 HydrophobicContact CB-CD2 3.87Å; N125-L130 HydrophobicContact CB-CG 4.14Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.49Å; L128-L130 VanDerWaalsContact C-N 3.31Å; L128-L130 PolarHBondContact O-N 2.88Å; L130-Q133 PolarHBondContact O-N 2.9Å; L130-Q134 VanDerWaalsContact O-CG 3.23Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 2.8Å; L130-L244 HydrophobicContact CD1-CD2 3.68Å; L130-L400 HydrophobicContact CD2-CD1 3.63Å; L130-L400 HydrophobicContact CD2-CD2 4.03Å; L130-L400 HydrophobicContact CD2-CG 4.5Å
131T97.6Very high95.7Very high5 Ų539.6 Ų39.63%0.03120%0.195CC..Hα-helixtrans-65.6-43177.9-58.10000112.1K101 F127 L128 D129 Q134 I135 L148 I241K101-T131 HydrophobicContact CD-CG2 4.39Å; K101-T131 HydrophobicContact CG-CG2 4.01Å; F127-T131 PolarHBondContact O-N 3.39Å; F127-T131 VanDerWaalsContact O-N 3.07Å; F127-T131 PolarHBondContact O-OG1 2.95Å; L128-T131 PolarHBondContact O-N 3.19Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-T131 PolarHBondContact O-N 2.87Å; T131-Q134 WeakPolarHBondContact O-CB 3.45Å; T131-Q134 PolarHBondContact O-N 3.15Å; T131-I135 HydrophobicContact CG2-CD1 4.16Å; T131-I135 PolarHBondContact O-N 2.65Å; T131-I135 VanDerWaalsContact O-N 3.17Å; T131-L148 HydrophobicContact CG2-CD1 3.94Å; T131-L148 HydrophobicContact CG2-CD2 4.09Å; T131-I241 HydrophobicContact CG2-CD1 4.4Å; T131-I241 VanDerWaalsContact OG1-CD1 3.28Å; T131-I241 WeakPolarHBondContact OG1-CD1 3.47Å
132V97.9Very high95.9Very high2 Ų243.2 Ų43.21%0.01221%0.209CC..Hα-helixtrans-61.6-46.2176168.10000110.1L128 D129 Q134 I135 E136 L148 Y167 C170 V172 I174L128-V132 HydrophobicContact CD1-CG2 4.22Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 2.79Å; D129-V132 PolarHBondContact O-N 2.92Å; V132-Q134 VanDerWaalsContact C-N 3.32Å; V132-Q134 PolarHBondContact O-N 2.87Å; V132-I135 PolarHBondContact O-N 2.94Å; V132-E136 WeakPolarHBondContact O-CB 3.5Å; V132-E136 PolarHBondContact O-N 3.32Å; V132-L148 HydrophobicContact CG2-CD2 4Å; V132-Y167 HydrophobicContact CB-CD1 4.21Å; V132-Y167 HydrophobicContact CB-CE1 4.2Å; V132-Y167 HydrophobicContact CG1-CD1 3.64Å; V132-Y167 HydrophobicContact CG1-CE1 4.09Å; V132-Y167 HydrophobicContact CG1-CG 4.15Å; V132-Y167 HydrophobicContact CG2-CD1 4.11Å; V132-Y167 HydrophobicContact CG2-CD2 4.29Å; V132-Y167 HydrophobicContact CG2-CE1 4.09Å; V132-Y167 HydrophobicContact CG2-CE2 4.3Å; V132-Y167 HydrophobicContact CG2-CG 4.19Å; V132-C170 HydrophobicContact CG1-CB 4.2Å; V132-V172 HydrophobicContact CG1-CG1 3.87Å; V132-I174 HydrophobicContact CG2-CD1 3.78Å
133Q97.4Very high96.2Very high57 Ų5747.4 Ų47.427%0.26623%0.234SC..Hα-helixtrans-59.5-40.6177.3-75.21722500112.4N125 D129 L130 H137 A402N125-Q133 PolarHBondContact OD1-NE2 2.84Å; D129-Q133 WeakPolarHBondContact O-CB 3.23Å; D129-Q133 WeakPolarHBondContact O-CG 3.35Å; D129-Q133 PolarHBondContact O-N 3.45Å; L130-Q133 PolarHBondContact O-N 2.9Å; Q133-H137 WeakPolarHBondContact O-CB 2.92Å; Q133-H137 PolarHBondContact O-N 3.32Å; Q133-A402 CarbonylContact C-O 3.24Å
134Q97Very high96.6Very high26 Ų2641.8 Ų41.812%0.12120%0.204CC..Hα-helixtrans-60-50.8176.8-72.9170.911.500111.7L130 T131 V132 L138 A402 G403L130-Q134 VanDerWaalsContact O-CG 3.23Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 2.8Å; T131-Q134 WeakPolarHBondContact O-CB 3.45Å; T131-Q134 PolarHBondContact O-N 3.15Å; V132-Q134 VanDerWaalsContact C-N 3.32Å; V132-Q134 PolarHBondContact O-N 2.87Å; Q134-L138 VanDerWaalsContact O-CB 3.31Å; Q134-L138 WeakPolarHBondContact O-CB 3.25Å; Q134-L138 PolarHBondContact O-N 3.29Å; Q134-A402 WeakPolarHBondContact CA-O 3.2Å; Q134-A402 PolarHBondContact N-O 3.3Å; Q134-G403 PolarHBondContact NE2-O 3.38Å
135I97.4Very high96.9Very high4 Ų435.5 Ų35.52%0.02118%0.176CC..Hα-helixtrans-73.7-38.4-176.1-61.1172000110.9V99 T131 V132 H137 L138 N139 V146 L148 V172V99-I135 HydrophobicContact CB-CD1 3.89Å; V99-I135 HydrophobicContact CG1-CD1 3.9Å; V99-I135 HydrophobicContact CG2-CD1 4.15Å; T131-I135 HydrophobicContact CG2-CD1 4.16Å; T131-I135 PolarHBondContact O-N 2.65Å; T131-I135 VanDerWaalsContact O-N 3.17Å; V132-I135 PolarHBondContact O-N 2.94Å; I135-H137 PolarHBondContact O-N 3.25Å; I135-L138 PolarHBondContact O-N 3.48Å; I135-N139 WeakPolarHBondContact O-CB 3.41Å; I135-N139 PolarHBondContact O-N 3.45Å; I135-N139 PolarHBondContact O-ND2 2.89Å; I135-V146 HydrophobicContact CG2-CB 4.14Å; I135-V146 HydrophobicContact CG2-CG1 4.25Å; I135-V146 WeakPolarHBondContact CG2-O 3.3Å; I135-L148 HydrophobicContact CD1-CB 3.77Å; I135-L148 HydrophobicContact CD1-CD1 3.7Å; I135-L148 HydrophobicContact CD1-CD2 4.22Å; I135-L148 HydrophobicContact CD1-CG 4.08Å; I135-V172 HydrophobicContact CB-CG2 4.18Å; I135-V172 HydrophobicContact CG2-CB 4.29Å; I135-V172 HydrophobicContact CG2-CG2 3.58Å
136E97.7Very high97Very high28 Ų2834 Ų3413%0.13117%0.168CC..Hα-helixtrans-60.4-46174.2177.3174.2-157.400111.1V132 L138 N139 K140 C170 R171V132-E136 WeakPolarHBondContact O-CB 3.5Å; V132-E136 PolarHBondContact O-N 3.32Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-N139 PolarHBondContact O-N 3.42Å; E136-K140 HydrophobicContact CG-CD 4.15Å; E136-K140 WeakPolarHBondContact O-CB 3.44Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 3.4Å; E136-K140 WeakPolarHBondContact OE1-CE 3.47Å; E136-K140 IonicContact OE1-NZ 3.97Å; E136-K140 PolarHBondContact OE1-NZ 3.43Å; E136-C170 WeakPolarHBondContact OE1-CA 3.41Å; E136-C170 PolarHBondContact OE2-SG 2.9Å; E136-R171 HydrophobicContact CG-CB 4.16Å; E136-R171 PolarHBondContact OE1-N 3.33Å
137H97.4Very high97.1Very high99 Ų9933.2 Ų33.246%0.45816%0.163SC..Hα-helixtrans-62.3-44.3176.3-177.874.2000111.2Q133 I135 N139 K140 T141 A402Q133-H137 WeakPolarHBondContact O-CB 2.92Å; Q133-H137 PolarHBondContact O-N 3.32Å; I135-H137 PolarHBondContact O-N 3.25Å; H137-N139 PolarHBondContact O-N 3.03Å; H137-K140 PolarHBondContact O-N 3.44Å; H137-T141 PolarHBondContact CE1-OG1 3.2Å; H137-T141 PolarHBondContact NE2-OG1 3.12Å; H137-T141 WeakPolarHBondContact O-CB 3.37Å; H137-T141 PolarHBondContact O-N 2.94Å; H137-T141 PolarHBondContact O-OG1 3.28Å; H137-A402 HydrophobicContact CB-CB 3.76Å; H137-A402 VanDerWaalsContact CG-CB 3.5Å
138L96.4Very high97.2Very high21 Ų2133.2 Ų33.211%0.1116%0.163CC..Hα-helixtrans-58.4-45.9176.2-178.4156.3000111.8L94 Q134 I135 E136 T141 Y142 V146 V248L94-L138 HydrophobicContact CD1-CD2 3.65Å; L94-L138 HydrophobicContact CD1-CG 4.1Å; L94-L138 HydrophobicContact CD2-CD1 4.07Å; L94-L138 HydrophobicContact CD2-CD2 3.97Å; L94-L138 HydrophobicContact CD2-CG 4.43Å; L94-L138 HydrophobicContact CG-CD2 4.32Å; Q134-L138 VanDerWaalsContact O-CB 3.31Å; Q134-L138 WeakPolarHBondContact O-CB 3.25Å; Q134-L138 PolarHBondContact O-N 3.29Å; I135-L138 PolarHBondContact O-N 3.48Å; E136-L138 VanDerWaalsContact C-N 3.35Å; L138-T141 PolarHBondContact O-N 2.94Å; L138-Y142 HydrophobicContact CG-CD2 4.16Å; L138-Y142 WeakPolarHBondContact O-CD2 3.38Å; L138-Y142 PolarHBondContact O-N 2.96Å; L138-V146 HydrophobicContact CD2-CB 4.27Å; L138-V146 HydrophobicContact CD2-CG2 3.6Å; L138-V248 HydrophobicContact CD1-CB 3.98Å; L138-V248 HydrophobicContact CD1-CG1 4.18Å; L138-V248 HydrophobicContact CD1-CG2 4.38Å
139N97.4Very high97.2Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-65.5-38.2177.4-75.7-21.8000113I135 E136 H137 N143 T144 V146 R171I135-N139 WeakPolarHBondContact O-CB 3.41Å; I135-N139 PolarHBondContact O-N 3.45Å; I135-N139 PolarHBondContact O-ND2 2.89Å; E136-N139 PolarHBondContact O-N 3.42Å; H137-N139 PolarHBondContact O-N 3.03Å; N139-N143 VanDerWaalsContact O-CA 3.23Å; N139-N143 WeakPolarHBondContact O-CA 3.35Å; N139-N143 PolarHBondContact O-N 2.83Å; N139-N143 VanDerWaalsContact O-N 3.1Å; N139-T144 WeakPolarHBondContact CB-O 3.31Å; N139-T144 PolarHBondContact O-N 2.92Å; N139-T144 VanDerWaalsContact O-N 3.13Å; N139-T144 PolarHBondContact OD1-O 2.64Å; N139-T144 PolarHBondContact OD1-OG1 3.19Å; N139-V146 PolarHBondContact ND2-O 3.11Å; N139-V146 WeakPolarHBondContact OD1-CB 3.44Å; N139-V146 PolarHBondContact OD1-N 2.81Å; N139-R171 HydrophobicContact CB-CG 4.36Å; N139-R171 WeakPolarHBondContact CB-O 3.45Å; N139-R171 PolarHBondContact ND2-O 3.09Å
140K97.1Very high97.3Very high114 Ų11433 Ų3350%0.49616%0.162SC..Hα-helixtrans-67.9-45.5175.8-73.9177.5-176171.20111.8E136 H137 R171E136-K140 HydrophobicContact CG-CD 4.15Å; E136-K140 WeakPolarHBondContact O-CB 3.44Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 3.4Å; E136-K140 WeakPolarHBondContact OE1-CE 3.47Å; E136-K140 IonicContact OE1-NZ 3.97Å; E136-K140 PolarHBondContact OE1-NZ 3.43Å; H137-K140 PolarHBondContact O-N 3.44Å; K140-R171 HydrophobicContact CG-CB 4.29Å
141T96.4Very high97.3Very high78 Ų7833 Ų3348%0.47916%0.162SC..Hα-helixtrans-70.8-44.4-175.2-60.60000112.5H137 L138H137-T141 PolarHBondContact CE1-OG1 3.2Å; H137-T141 PolarHBondContact NE2-OG1 3.12Å; H137-T141 WeakPolarHBondContact O-CB 3.37Å; H137-T141 PolarHBondContact O-N 2.94Å; H137-T141 PolarHBondContact O-OG1 3.28Å; L138-T141 PolarHBondContact O-N 2.94Å
142Y95.8Very high97.3Very high76 Ų7632.8 Ų32.830%0.29816%0.161SC..THydrogen-bonded Turntrans-997.4-177.2-60.9-66.1000113.9I90 S91 L94 L138 T144 L250I90-Y142 HydrophobicContact CB-CD1 4.08Å; I90-Y142 HydrophobicContact CB-CE1 4.28Å; I90-Y142 HydrophobicContact CD1-CD1 4.2Å; I90-Y142 HydrophobicContact CD1-CE1 3.59Å; I90-Y142 HydrophobicContact CG2-CD1 3.64Å; I90-Y142 HydrophobicContact CG2-CD2 4.13Å; I90-Y142 HydrophobicContact CG2-CE1 3.81Å; I90-Y142 HydrophobicContact CG2-CE2 4.28Å; I90-Y142 HydrophobicContact CG2-CG 3.8Å; S91-Y142 PolarHBondContact OG-O 2.7Å; L94-Y142 HydrophobicContact CD1-CD2 3.73Å; L94-Y142 HydrophobicContact CD1-CG 3.97Å; L138-Y142 HydrophobicContact CG-CD2 4.16Å; L138-Y142 WeakPolarHBondContact O-CD2 3.38Å; L138-Y142 PolarHBondContact O-N 2.96Å; Y142-T144 VanDerWaalsContact C-N 3.28Å; Y142-T144 WeakPolarHBondContact O-CG2 3.36Å; Y142-T144 PolarHBondContact O-N 3.4Å; Y142-L250 HydrophobicContact CE2-CD1 4.2Å
143N96.1Very high97.2Very high119 Ų11932.7 Ų32.764%0.63616%0.16SC*.THydrogen-bonded Turntrans49.447.9-177.2-165.741.8000112.8N139 R171N139-N143 VanDerWaalsContact O-CA 3.23Å; N139-N143 WeakPolarHBondContact O-CA 3.35Å; N139-N143 PolarHBondContact O-N 2.83Å; N139-N143 VanDerWaalsContact O-N 3.1Å; N143-R171 PolarHBondContact OD1-NH2 3.03Å
144T96.6Very high97Very high4 Ų431.5 Ų31.53%0.02515%0.154CC..  trans-113.1175.4-178.458.10000112.4S91 L94 N95 N139 Y142S91-T144 VanDerWaalsContact CA-CG2 3.46Å; L94-T144 HydrophobicContact CB-CG2 3.91Å; L94-T144 HydrophobicContact CD1-CG2 4.11Å; N95-T144 WeakPolarHBondContact OD1-CB 3.27Å; N139-T144 WeakPolarHBondContact CB-O 3.31Å; N139-T144 PolarHBondContact O-N 2.92Å; N139-T144 VanDerWaalsContact O-N 3.13Å; N139-T144 PolarHBondContact OD1-O 2.64Å; N139-T144 PolarHBondContact OD1-OG1 3.19Å; Y142-T144 VanDerWaalsContact C-N 3.28Å; Y142-T144 WeakPolarHBondContact O-CG2 3.36Å; Y142-T144 PolarHBondContact O-N 3.4Å
145D95.9Very high96.7Very high56 Ų5632.6 Ų32.630%0.29916%0.161SC..  trans-13275172.9-168.920.6000110.2N95 P147 K173 K233N95-D145 PolarHBondContact OD1-N 3.02Å; D145-P147 WeakPolarHBondContact O-CD 3.45Å; D145-K173 WeakPolarHBondContact OD2-CD 3.34Å; D145-K173 WeakPolarHBondContact OD2-CE 2.98Å; D145-K173 IonicContact OD2-NZ 3.55Å; D145-K173 PolarHBondContact OD2-NZ 3.13Å; D145-K233 PolarHBondContact O-NZ 2.52Å; D145-K233 VanDerWaalsContact O-NZ 3.11Å
146V97.9Very high96.6Very high0 Ų032.4 Ų32.40%016%0.16CC..  trans-82119.3174.1-179.70000108.8L94 V99 I135 L138 N139L94-V146 HydrophobicContact CB-CG2 4.01Å; L94-V146 HydrophobicContact CD2-CG2 4.37Å; V99-V146 HydrophobicContact CG2-CG1 3.81Å; I135-V146 HydrophobicContact CG2-CB 4.14Å; I135-V146 HydrophobicContact CG2-CG1 4.25Å; I135-V146 WeakPolarHBondContact CG2-O 3.3Å; L138-V146 HydrophobicContact CD2-CB 4.27Å; L138-V146 HydrophobicContact CD2-CG2 3.6Å; N139-V146 PolarHBondContact ND2-O 3.11Å; N139-V146 WeakPolarHBondContact OD1-CB 3.44Å; N139-V146 PolarHBondContact OD1-N 2.81Å
147P98.1Very high96.5Very high3 Ų331.9 Ų31.92%0.01916%0.158CC..  trans-79.8146.9176.432.1-34.6000111.7V98 V99 D145 K173 Y175 F228V98-P147 HydrophobicContact CB-CG 4.18Å; V98-P147 HydrophobicContact CG1-CG 4.07Å; V98-P147 HydrophobicContact CG2-CG 3.79Å; V99-P147 PolarHBondContact N-O 3.38Å; D145-P147 WeakPolarHBondContact O-CD 3.45Å; P147-K173 WeakPolarHBondContact CA-O 3.35Å; P147-Y175 HydrophobicContact CB-CD2 4.07Å; P147-Y175 HydrophobicContact CB-CE2 3.79Å; P147-F228 HydrophobicContact CB-CE1 3.89Å; P147-F228 HydrophobicContact CB-CZ 4.21Å; P147-F228 HydrophobicContact CG-CD1 4.25Å; P147-F228 HydrophobicContact CG-CE1 3.72Å; P147-F228 HydrophobicContact CG-CZ 4.29Å
148L98.7Very high96.3Very high0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-105.5128.8169.717559.8000109.1V99 K101 L128 T131 V132 I135 L150 V172 K173 I174 Y175V99-L148 HydrophobicContact CB-CD1 4.46Å; V99-L148 HydrophobicContact CG1-CD1 4.08Å; V99-L148 CarbonylContact O-C 3.56Å; V99-L148 WeakPolarHBondContact O-CA 3.31Å; K101-L148 HydrophobicContact CG-CD1 3.86Å; L128-L148 HydrophobicContact CD1-CD2 4.36Å; T131-L148 HydrophobicContact CG2-CD1 3.94Å; T131-L148 HydrophobicContact CG2-CD2 4.09Å; V132-L148 HydrophobicContact CG2-CD2 4Å; I135-L148 HydrophobicContact CD1-CB 3.77Å; I135-L148 HydrophobicContact CD1-CD1 3.7Å; I135-L148 HydrophobicContact CD1-CD2 4.22Å; I135-L148 HydrophobicContact CD1-CG 4.08Å; L148-L150 HydrophobicContact CD1-CD2 4.13Å; L148-L150 HydrophobicContact CD2-CD2 4.25Å; L148-L150 HydrophobicContact CG-CD2 4.11Å; L148-V172 HydrophobicContact CB-CG2 4Å; L148-K173 PolarHBondContact N-O 3.11Å; L148-I174 HydrophobicContact CB-CG1 4.47Å; L148-I174 HydrophobicContact CD2-CG1 4.39Å; L148-I174 HydrophobicContact CD2-CG2 4.42Å; L148-I174 HydrophobicContact CG-CG2 4.46Å; L148-I174 CarbonylContact O-C 3.36Å; L148-I174 VanDerWaalsContact O-CA 3.31Å; L148-I174 WeakPolarHBondContact O-CA 3.22Å; L148-Y175 PolarHBondContact O-N 3.11Å
149V98.7Very high96.2Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-118.3128.7176.8-170.80000109.1V98 V99 V100 K101 Y175 F177 F219 L224 F228V98-V149 HydrophobicContact CG1-CG2 3.54Å; V99-V149 PolarHBondContact O-N 3.06Å; V100-V149 CarbonylContact C-O 3.6Å; V100-V149 WeakPolarHBondContact CA-O 3.46Å; V100-V149 HydrophobicContact CG1-CB 4.44Å; V100-V149 HydrophobicContact CG2-CB 4.16Å; V100-V149 HydrophobicContact CG2-CG2 4.48Å; K101-V149 PolarHBondContact N-O 3.49Å; V149-Y175 CarbonylContact C-O 3.6Å; V149-Y175 WeakPolarHBondContact CA-O 3.49Å; V149-F177 HydrophobicContact CG1-CD1 3.54Å; V149-F177 HydrophobicContact CG1-CE1 3.54Å; V149-F219 HydrophobicContact CG1-CE2 4.3Å; V149-L224 HydrophobicContact CG1-CD1 4.11Å; V149-F228 HydrophobicContact CG2-CE2 3.62Å; V149-F228 HydrophobicContact CG2-CZ 3.75Å
150L98.6Very high96.1Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-104.7118.6174.6-50.3177.8000109.7K101 N103 L128 L148 N152 T160 L164 I174 Y175 T176 F177K101-L150 HydrophobicContact CB-CD2 3.95Å; N103-L150 HydrophobicContact CB-CB 4.29Å; L128-L150 HydrophobicContact CD1-CD1 3.8Å; L128-L150 HydrophobicContact CD1-CD2 3.91Å; L128-L150 HydrophobicContact CD1-CG 4.49Å; L128-L150 HydrophobicContact CD2-CD1 4.27Å; L148-L150 HydrophobicContact CD1-CD2 4.13Å; L148-L150 HydrophobicContact CD2-CD2 4.25Å; L148-L150 HydrophobicContact CG-CD2 4.11Å; L150-N152 PolarHBondContact O-N 2.87Å; L150-T160 HydrophobicContact CD1-CG2 3.72Å; L150-L164 HydrophobicContact CD1-CD2 4.22Å; L150-I174 HydrophobicContact CD1-CG2 4.28Å; L150-I174 HydrophobicContact CG-CG2 4.36Å; L150-Y175 PolarHBondContact N-O 2.87Å; L150-T176 HydrophobicContact CB-CG2 4.15Å; L150-T176 HydrophobicContact CD1-CG2 4.32Å; L150-T176 WeakPolarHBondContact O-CA 3.48Å; L150-F177 PolarHBondContact O-N 2.95Å; L150-F177 VanDerWaalsContact O-N 3.15Å
151M98.3Very high95.9Very high2 Ų235 Ų351%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-84.198.8170179.8-175.5177.200108.6K101 L102 N103 G104 F177 Q179 D214 I215K101-M151 PolarHBondContact O-N 3.24Å; L102-M151 HydrophobicContact CD2-CB 4.33Å; L102-M151 HydrophobicContact CD2-SD 3.54Å; L102-M151 VanDerWaalsContact CD2-SD 3.54Å; N103-M151 CarbonylContact C-O 3.51Å; N103-M151 VanDerWaalsContact C-O 3.24Å; N103-M151 VanDerWaalsContact CA-O 3.28Å; N103-M151 WeakPolarHBondContact CA-O 3.42Å; N103-M151 WeakPolarHBondContact CB-O 3.35Å; N103-M151 PolarHBondContact N-O 2.96Å; G104-M151 PolarHBondContact N-O 3.2Å; M151-F177 HydrophobicContact CB-CE1 3.89Å; M151-F177 HydrophobicContact CB-CE2 4.12Å; M151-F177 HydrophobicContact CB-CZ 3.54Å; M151-F177 HydrophobicContact CG-CE1 4.39Å; M151-F177 HydrophobicContact CG-CE2 3.7Å; M151-F177 HydrophobicContact CG-CZ 3.6Å; M151-F177 HydrophobicContact SD-CE2 4.43Å; M151-F177 HydrophobicContact SD-CZ 4.25Å; M151-Q179 HydrophobicContact CE-CB 3.37Å; M151-Q179 HydrophobicContact CE-CG 4.24Å; M151-Q179 HydrophobicContact CG-CB 4.3Å; M151-D214 HydrophobicContact CE-CB 4.28Å; M151-I215 HydrophobicContact CE-CB 4.02Å; M151-I215 HydrophobicContact SD-CB 3.68Å; M151-I215 HydrophobicContact SD-CD1 4.35Å; M151-I215 HydrophobicContact SD-CG1 3.93Å
152N97.6Very high95.8Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-84.4173.7-178.6-64.5-20.1000111.4N103 L150 D157 F177 N178 Q179N103-N152 PolarHBondContact ND2-OD1 2.97Å; L150-N152 PolarHBondContact O-N 2.87Å; N152-D157 HydrophobicContact CB-CB 3.85Å; N152-D157 PolarHBondContact ND2-OD1 2.99Å; N152-F177 PolarHBondContact N-O 3.07Å; N152-N178 PolarHBondContact O-OD1 3.41Å; N152-Q179 WeakPolarHBondContact O-CG 3.45Å; N152-Q179 PolarHBondContact O-N 3.22Å; N152-Q179 VanDerWaalsContact O-N 3.1Å; N152-Q179 PolarHBondContact O-NE2 3.4Å
153S95.3Very high95.7Very high0 Ų036.2 Ų36.20%018%0.177CC..  trans-119.8168.2161.772.10000109.2G104 N155 T156 D157 N178G104-S153 PolarHBondContact O-OG 3.07Å; S153-N155 PolarHBondContact O-N 2.9Å; S153-N155 WeakPolarHBondContact OG-CB 3.35Å; S153-N155 PolarHBondContact OG-N 2.97Å; S153-T156 PolarHBondContact N-OG1 3Å; S153-T156 PolarHBondContact O-N 3.32Å; S153-T156 PolarHBondContact O-OG1 3.15Å; S153-D157 WeakPolarHBondContact O-CB 3.48Å; S153-D157 PolarHBondContact O-N 3.45Å; S153-N178 WeakPolarHBondContact CA-OD1 3.41Å
154F91.9Very high95.7Very high32 Ų3231.9 Ų31.914%0.1415%0.153CC..THydrogen-bonded Turntrans-57.1-18.8170.663.7-91.2000113.3N178 R181 Y199 W207 P209F154-N178 PolarHBondContact N-OD1 3.43Å; F154-N178 VanDerWaalsContact N-OD1 3.11Å; F154-R181 HydrophobicContact CD1-CB 3.9Å; F154-R181 HydrophobicContact CD1-CG 3.58Å; F154-R181 HydrophobicContact CE1-CB 4.23Å; F154-R181 HydrophobicContact CE1-CG 3.62Å; F154-R181 HydrophobicContact CG-CG 4.23Å; F154-R181 HydrophobicContact CZ-CG 4.3Å; F154-Y199 HydrophobicContact CD2-CD2 4.48Å; F154-Y199 AromaticContact CD2-CE2 3.61Å; F154-Y199 HydrophobicContact CD2-CE2 3.61Å; F154-Y199 AromaticContact CD2-CZ 3.63Å; F154-Y199 WeakPolarHBondContact CD2-OH 3.44Å; F154-Y199 AromaticContact CE2-CE2 3.6Å; F154-Y199 HydrophobicContact CE2-CE2 3.6Å; F154-Y199 AromaticContact CE2-CZ 3.81Å; F154-Y199 WeakPolarHBondContact CE2-OH 3.32Å; F154-W207 HydrophobicContact CZ-CB 4.11Å; F154-P209 HydrophobicContact CE1-CB 4.43Å
155N91.7Very high95.5Very high49 Ų4938.5 Ų38.526%0.26218%0.184SC..THydrogen-bonded Turntrans-81.9-17.6173.7-62.2-56.5000113.7L106 S153 Y199L106-N155 HydrophobicContact CD1-CB 4.01Å; L106-N155 HydrophobicContact CD2-CB 4.01Å; L106-N155 HydrophobicContact CG-CB 4.11Å; S153-N155 PolarHBondContact O-N 2.9Å; S153-N155 WeakPolarHBondContact OG-CB 3.35Å; S153-N155 PolarHBondContact OG-N 2.97Å; N155-Y199 PolarHBondContact OD1-OH 3.04Å
156T94.8Very high95.4Very high0 Ų042 Ų420%020%0.197CC..THydrogen-bonded Turntrans-124-16.9-171.562.50000114.3N103 L106 P115 S153 T160N103-T156 WeakPolarHBondContact O-CB 3.32Å; N103-T156 PolarHBondContact O-OG1 2.88Å; L106-T156 HydrophobicContact CD2-CG2 3.93Å; P115-T156 HydrophobicContact CB-CG2 3.75Å; P115-T156 HydrophobicContact CG-CG2 3.92Å; S153-T156 PolarHBondContact N-OG1 3Å; S153-T156 PolarHBondContact O-N 3.32Å; S153-T156 PolarHBondContact O-OG1 3.15Å; T156-T160 WeakPolarHBondContact O-CB 3.34Å; T156-T160 PolarHBondContact O-N 2.86Å; T156-T160 PolarHBondContact O-OG1 2.74Å
157D95Very high95.3Very high16 Ų1642.6 Ų42.69%0.08620%0.199CC..Hα-helixtrans-64.9-50.1-169.3-171.251.4000113.2N152 S153 T160 K161N152-D157 HydrophobicContact CB-CB 3.85Å; N152-D157 PolarHBondContact ND2-OD1 2.99Å; S153-D157 WeakPolarHBondContact O-CB 3.48Å; S153-D157 PolarHBondContact O-N 3.45Å; D157-T160 PolarHBondContact O-N 2.84Å; D157-K161 WeakPolarHBondContact O-CB 3.43Å; D157-K161 WeakPolarHBondContact O-CG 3.33Å; D157-K161 PolarHBondContact O-N 2.66Å; D157-K161 VanDerWaalsContact OD1-CE 3.27Å; D157-K161 WeakPolarHBondContact OD1-CE 3.41Å; D157-K161 IonicContact OD1-NZ 2.59Å; D157-K161 VanDerWaalsContact OD2-CE 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.48Å; D157-K161 IonicContact OD2-NZ 3.13Å; D157-K161 PolarHBondContact OD2-NZ 3.15Å
158E93.6Very high95Very high137 Ų13748.2 Ų48.264%0.6423%0.229SC*.Hα-helixtrans-62.3-47.7179.8-68.4-166.3173.400112.4T160 K161 K162E158-T160 VanDerWaalsContact C-N 3.32Å; E158-T160 PolarHBondContact O-N 3.36Å; E158-K161 PolarHBondContact O-N 2.9Å; E158-K162 VanDerWaalsContact O-CG 3.32Å; E158-K162 WeakPolarHBondContact O-CG 3.37Å; E158-K162 PolarHBondContact O-N 3.4Å; E158-K162 IonicContact OE2-NZ 3.16Å
159D94.1Very high94.8Very high61 Ų6157.2 Ų57.233%0.32627%0.27SS..Hα-helixtrans-66.5-36.6-179-71.2-16.5000111.7P115 K162P115-D159 HydrophobicContact CG-CB 3.87Å; D159-K162 IonicContact OD1-NZ 3.85Å; D159-K162 PolarHBondContact OD1-NZ 3.34Å
160T95.3Very high94.6Very high0 Ų058.9 Ų58.90%028%0.282CS..Hα-helixtrans-66.2-45.1173-56.10000110.4N103 L150 T156 D157 E158 K162 I163 L164N103-T160 PolarHBondContact ND2-OG1 2.76Å; L150-T160 HydrophobicContact CD1-CG2 3.72Å; T156-T160 WeakPolarHBondContact O-CB 3.34Å; T156-T160 PolarHBondContact O-N 2.86Å; T156-T160 PolarHBondContact O-OG1 2.74Å; D157-T160 PolarHBondContact O-N 2.84Å; E158-T160 VanDerWaalsContact C-N 3.32Å; E158-T160 PolarHBondContact O-N 3.36Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 3.44Å; T160-I163 VanDerWaalsContact O-CG1 3.22Å; T160-I163 WeakPolarHBondContact O-CG1 3.26Å; T160-I163 PolarHBondContact O-N 2.68Å; T160-L164 WeakPolarHBondContact O-CG 3.39Å; T160-L164 PolarHBondContact O-N 3.41Å
161K94.5Very high94.4Very high102 Ų10263.5 Ų63.544%0.44330%0.299SS..Hα-helixtrans-62.7-38179.8-77.7171.1175.7167.70113D157 E158 I163 L164D157-K161 WeakPolarHBondContact O-CB 3.43Å; D157-K161 WeakPolarHBondContact O-CG 3.33Å; D157-K161 PolarHBondContact O-N 2.66Å; D157-K161 VanDerWaalsContact OD1-CE 3.27Å; D157-K161 WeakPolarHBondContact OD1-CE 3.41Å; D157-K161 IonicContact OD1-NZ 2.59Å; D157-K161 VanDerWaalsContact OD2-CE 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.48Å; D157-K161 IonicContact OD2-NZ 3.13Å; D157-K161 PolarHBondContact OD2-NZ 3.15Å; E158-K161 PolarHBondContact O-N 2.9Å; K161-I163 VanDerWaalsContact C-N 3.29Å; K161-I163 PolarHBondContact O-N 3.09Å; K161-L164 PolarHBondContact O-N 3.09Å
162K94.4Very high94.4Very high126 Ų12664.1 Ų64.155%0.54830%0.303SS..Hα-helixtrans-58.4-39.4178.1-73.5167-166.8159.30112.4E158 D159 T160E158-K162 VanDerWaalsContact O-CG 3.32Å; E158-K162 WeakPolarHBondContact O-CG 3.37Å; E158-K162 PolarHBondContact O-N 3.4Å; E158-K162 IonicContact OE2-NZ 3.16Å; D159-K162 IonicContact OD1-NZ 3.85Å; D159-K162 PolarHBondContact OD1-NZ 3.34Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 3.44Å
163I93.8Very high94.3Very high53 Ų5368.6 Ų68.627%0.27232%0.323SS..Hα-helixtrans-88.2-15.2-176.265.8122.5000114L118 L128 T160 K161 Q165 K166 Y167L118-I163 HydrophobicContact CD2-CD1 3.17Å; L118-I163 HydrophobicContact CD2-CG1 3.72Å; L128-I163 HydrophobicContact CD2-CD1 3.51Å; T160-I163 VanDerWaalsContact O-CG1 3.22Å; T160-I163 WeakPolarHBondContact O-CG1 3.26Å; T160-I163 PolarHBondContact O-N 2.68Å; K161-I163 VanDerWaalsContact C-N 3.29Å; K161-I163 PolarHBondContact O-N 3.09Å; I163-Q165 PolarHBondContact O-N 3.08Å; I163-Q165 VanDerWaalsContact O-N 3.12Å; I163-K166 VanDerWaalsContact O-CB 3.24Å; I163-K166 WeakPolarHBondContact O-CB 3.42Å; I163-K166 PolarHBondContact O-N 2.84Å; I163-K166 VanDerWaalsContact O-N 3.09Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å
164L94.5Very high94.5Very high28 Ų2870.6 Ų70.615%0.14733%0.333CS..G310 helixtrans-60.9-24.1-178.1-79.1178.1000113.6L128 L150 T160 K161 K166 Y167 I174 T176L128-L164 HydrophobicContact CD2-CD2 4.34Å; L150-L164 HydrophobicContact CD1-CD2 4.22Å; T160-L164 WeakPolarHBondContact O-CG 3.39Å; T160-L164 PolarHBondContact O-N 3.41Å; K161-L164 PolarHBondContact O-N 3.09Å; L164-K166 PolarHBondContact O-N 2.77Å; L164-K166 VanDerWaalsContact O-N 3.1Å; L164-Y167 HydrophobicContact CD2-CD2 3.97Å; L164-Y167 HydrophobicContact CD2-CE2 4.25Å; L164-Y167 PolarHBondContact O-N 3.36Å; L164-I174 HydrophobicContact CD2-CB 4.44Å; L164-I174 HydrophobicContact CD2-CD1 4.14Å; L164-I174 HydrophobicContact CD2-CG2 3.74Å; L164-T176 HydrophobicContact CD1-CG2 3.5Å
165Q92.4Very high94.8Very high144 Ų14471.9 Ų71.967%0.67334%0.337SS*.G310 helixtrans-56.5-26.6176.1-60.6-178.6-3.400112.8I163 Y167 N168I163-Q165 PolarHBondContact O-N 3.08Å; I163-Q165 VanDerWaalsContact O-N 3.12Å; Q165-Y167 PolarHBondContact O-N 3.11Å; Q165-N168 VanDerWaalsContact O-CG 3.31Å; Q165-N168 PolarHBondContact O-N 3.02Å; Q165-N168 PolarHBondContact O-ND2 2.95Å
166K94.8Very high95.1Very high130 Ų13071.4 Ų71.457%0.56534%0.336SS*.G310 helixtrans-56.2-29.8174.3-177.2-178.4173.5-174.90112.6D129 I163 L164D129-K166 WeakPolarHBondContact OD1-CE 3.3Å; D129-K166 IonicContact OD1-NZ 3.44Å; D129-K166 PolarHBondContact OD1-NZ 3.43Å; D129-K166 IonicContact OD2-NZ 2.7Å; D129-K166 PolarHBondContact OD2-NZ 3.34Å; D129-K166 VanDerWaalsContact OD2-NZ 3.13Å; I163-K166 VanDerWaalsContact O-CB 3.24Å; I163-K166 WeakPolarHBondContact O-CB 3.42Å; I163-K166 PolarHBondContact O-N 2.84Å; I163-K166 VanDerWaalsContact O-N 3.09Å; L164-K166 PolarHBondContact O-N 2.77Å; L164-K166 VanDerWaalsContact O-N 3.1Å
167Y95.9Very high95.2Very high12 Ų1272 Ų725%0.04734%0.338CS..G310 helixtrans-101.37.4-171.8-48.1-62.7000113.9L128 D129 V132 I163 L164 Q165 H169 C170 I174L128-Y167 HydrophobicContact CD2-CE2 3.67Å; L128-Y167 HydrophobicContact CG-CE2 4Å; D129-Y167 VanDerWaalsContact OD1-CE1 3.23Å; D129-Y167 WeakPolarHBondContact OD1-CE1 3Å; D129-Y167 VanDerWaalsContact OD1-CZ 3.29Å; D129-Y167 PolarHBondContact OD1-OH 2.77Å; V132-Y167 HydrophobicContact CB-CD1 4.21Å; V132-Y167 HydrophobicContact CB-CE1 4.2Å; V132-Y167 HydrophobicContact CG1-CD1 3.64Å; V132-Y167 HydrophobicContact CG1-CE1 4.09Å; V132-Y167 HydrophobicContact CG1-CG 4.15Å; V132-Y167 HydrophobicContact CG2-CD1 4.11Å; V132-Y167 HydrophobicContact CG2-CD2 4.29Å; V132-Y167 HydrophobicContact CG2-CE1 4.09Å; V132-Y167 HydrophobicContact CG2-CE2 4.3Å; V132-Y167 HydrophobicContact CG2-CG 4.19Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å; L164-Y167 HydrophobicContact CD2-CD2 3.97Å; L164-Y167 HydrophobicContact CD2-CE2 4.25Å; L164-Y167 PolarHBondContact O-N 3.36Å; Q165-Y167 PolarHBondContact O-N 3.11Å; Y167-H169 PolarHBondContact O-N 3.38Å; Y167-H169 VanDerWaalsContact O-N 3.09Å; Y167-C170 WeakPolarHBondContact O-CB 3.41Å; Y167-C170 PolarHBondContact O-N 2.95Å; Y167-I174 HydrophobicContact CD2-CD1 3.75Å; Y167-I174 HydrophobicContact CG-CD1 3.9Å
168N92.1Very high95.3Very high121 Ų12174.2 Ų74.265%0.64735%0.35SS*.THydrogen-bonded Turntrans-57.8-27.5-178-73.9-10.8000113.8Q165Q165-N168 VanDerWaalsContact O-CG 3.31Å; Q165-N168 PolarHBondContact O-N 3.02Å; Q165-N168 PolarHBondContact O-ND2 2.95Å
169H92.8Very high95.4Very high188 Ų18868.4 Ų68.487%0.8732%0.323SS*.THydrogen-bonded Turntrans-99.3-2.4178.5-58.4-56.1000113.5Y167Y167-H169 PolarHBondContact O-N 3.38Å; Y167-H169 VanDerWaalsContact O-N 3.09Å
170C95.3Very high95.5Very high35 Ų3565.7 Ų65.724%0.23631%0.309CS..SBendtrans-77144.6175.1-70.20000110V132 E136 Y167 V172V132-C170 HydrophobicContact CG1-CB 4.2Å; E136-C170 WeakPolarHBondContact OE1-CA 3.41Å; E136-C170 PolarHBondContact OE2-SG 2.9Å; Y167-C170 WeakPolarHBondContact O-CB 3.41Å; Y167-C170 PolarHBondContact O-N 2.95Å; C170-V172 HydrophobicContact CB-CG1 4.07Å; C170-V172 PolarHBondContact O-N 2.89Å
171R95.1Very high95.4Very high98 Ų9867.1 Ų67.137%0.3732%0.315SS..SBendtrans-77.761.9178-166.6-173.3171.2166.2-1.5112E136 N139 K140 N143E136-R171 HydrophobicContact CG-CB 4.16Å; E136-R171 PolarHBondContact OE1-N 3.33Å; N139-R171 HydrophobicContact CB-CG 4.36Å; N139-R171 WeakPolarHBondContact CB-O 3.45Å; N139-R171 PolarHBondContact ND2-O 3.09Å; K140-R171 HydrophobicContact CG-CB 4.29Å; N143-R171 PolarHBondContact OD1-NH2 3.03Å
172V96.8Very high95.5Very high15 Ų1563 Ų639%0.09130%0.296CS..SBendtrans-154.5132.8175.456.60000110.4V132 I135 L148 C170 I174V132-V172 HydrophobicContact CG1-CG1 3.87Å; I135-V172 HydrophobicContact CB-CG2 4.18Å; I135-V172 HydrophobicContact CG2-CB 4.29Å; I135-V172 HydrophobicContact CG2-CG2 3.58Å; L148-V172 HydrophobicContact CB-CG2 4Å; C170-V172 HydrophobicContact CB-CG1 4.07Å; C170-V172 PolarHBondContact O-N 2.89Å; V172-I174 HydrophobicContact CG1-CD1 4.27Å; V172-I174 HydrophobicContact CG1-CG1 4.1Å; V172-I174 HydrophobicContact CG2-CG1 4.31Å
173K97.3Very high95.5Very high94 Ų9457 Ų5741%0.40927%0.27SS..  trans-83.4117.1171.6-67.7174.8175.7165.80109.4D145 P147 L148 Y175D145-K173 WeakPolarHBondContact OD2-CD 3.34Å; D145-K173 WeakPolarHBondContact OD2-CE 2.98Å; D145-K173 IonicContact OD2-NZ 3.55Å; D145-K173 PolarHBondContact OD2-NZ 3.13Å; P147-K173 WeakPolarHBondContact CA-O 3.35Å; L148-K173 PolarHBondContact N-O 3.11Å; K173-Y175 HydrophobicContact CB-CD2 4.46Å; K173-Y175 HydrophobicContact CB-CE2 3.66Å
174I98.1Very high95.5Very high41 Ų4156.3 Ų56.321%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-105.6123.3179.7-49.6177.8000109.4V132 L148 L150 L164 Y167 V172V132-I174 HydrophobicContact CG2-CD1 3.78Å; L148-I174 HydrophobicContact CB-CG1 4.47Å; L148-I174 HydrophobicContact CD2-CG1 4.39Å; L148-I174 HydrophobicContact CD2-CG2 4.42Å; L148-I174 HydrophobicContact CG-CG2 4.46Å; L148-I174 CarbonylContact O-C 3.36Å; L148-I174 VanDerWaalsContact O-CA 3.31Å; L148-I174 WeakPolarHBondContact O-CA 3.22Å; L150-I174 HydrophobicContact CD1-CG2 4.28Å; L150-I174 HydrophobicContact CG-CG2 4.36Å; L164-I174 HydrophobicContact CD2-CB 4.44Å; L164-I174 HydrophobicContact CD2-CD1 4.14Å; L164-I174 HydrophobicContact CD2-CG2 3.74Å; Y167-I174 HydrophobicContact CD2-CD1 3.75Å; Y167-I174 HydrophobicContact CG-CD1 3.9Å; V172-I174 HydrophobicContact CG1-CD1 4.27Å; V172-I174 HydrophobicContact CG1-CG1 4.1Å; V172-I174 HydrophobicContact CG2-CG1 4.31Å
175Y98.3Very high95.5Very high59 Ų5955.1 Ų55.123%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-112.8152.2175.4-60.2-98.2000109.5P147 L148 V149 L150 K173 L224 F228P147-Y175 HydrophobicContact CB-CD2 4.07Å; P147-Y175 HydrophobicContact CB-CE2 3.79Å; L148-Y175 PolarHBondContact O-N 3.11Å; V149-Y175 CarbonylContact C-O 3.6Å; V149-Y175 WeakPolarHBondContact CA-O 3.49Å; L150-Y175 PolarHBondContact N-O 2.87Å; K173-Y175 HydrophobicContact CB-CD2 4.46Å; K173-Y175 HydrophobicContact CB-CE2 3.66Å; Y175-L224 HydrophobicContact CD1-CD2 3.77Å; Y175-L224 HydrophobicContact CE1-CD2 4.45Å; Y175-L224 HydrophobicContact CG-CD2 4.35Å; Y175-F228 HydrophobicContact CD1-CZ 4.44Å; Y175-F228 HydrophobicContact CD2-CE1 4.28Å; Y175-F228 AromaticContact CD2-CZ 3.76Å; Y175-F228 HydrophobicContact CD2-CZ 3.76Å; Y175-F228 AromaticContact CE2-CE1 3.98Å; Y175-F228 HydrophobicContact CE2-CE1 3.98Å; Y175-F228 AromaticContact CE2-CZ 3.94Å; Y175-F228 HydrophobicContact CE2-CZ 3.94Å; Y175-F228 HydrophobicContact CG-CZ 4.03Å
176T97.8Very high95.6Very high39 Ų3949.9 Ų49.924%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-132.6147.4172.762.70000110.1L150 L164L150-T176 HydrophobicContact CB-CG2 4.15Å; L150-T176 HydrophobicContact CD1-CG2 4.32Å; L150-T176 WeakPolarHBondContact O-CA 3.48Å; L164-T176 HydrophobicContact CD1-CG2 3.5Å
177F97.5Very high95.5Very high12 Ų1249.1 Ų49.15%0.05323%0.231CC..EExtended strand (participates in β ladder)trans-141.9151.5165.269.7-81.7000108.6V149 L150 M151 N152 I215 F219 L224V149-F177 HydrophobicContact CG1-CD1 3.54Å; V149-F177 HydrophobicContact CG1-CE1 3.54Å; L150-F177 PolarHBondContact O-N 2.95Å; L150-F177 VanDerWaalsContact O-N 3.15Å; M151-F177 HydrophobicContact CB-CE1 3.89Å; M151-F177 HydrophobicContact CB-CE2 4.12Å; M151-F177 HydrophobicContact CB-CZ 3.54Å; M151-F177 HydrophobicContact CG-CE1 4.39Å; M151-F177 HydrophobicContact CG-CE2 3.7Å; M151-F177 HydrophobicContact CG-CZ 3.6Å; M151-F177 HydrophobicContact SD-CE2 4.43Å; M151-F177 HydrophobicContact SD-CZ 4.25Å; N152-F177 PolarHBondContact N-O 3.07Å; F177-I215 HydrophobicContact CZ-CG1 4.37Å; F177-F219 HydrophobicContact CD1-CD2 4.07Å; F177-F219 AromaticContact CE1-CD2 3.67Å; F177-F219 HydrophobicContact CE1-CD2 3.67Å; F177-F219 HydrophobicContact CE1-CE2 4.31Å; F177-F219 HydrophobicContact CE2-CB 4.14Å; F177-F219 HydrophobicContact CZ-CB 4Å; F177-F219 AromaticContact CZ-CD2 3.94Å; F177-F219 HydrophobicContact CZ-CD2 3.94Å; F177-F219 HydrophobicContact CZ-CG 4.37Å; F177-L224 HydrophobicContact CB-CD1 4.11Å; F177-L224 HydrophobicContact CD1-CD1 3.96Å; F177-L224 HydrophobicContact CG-CD1 4.39Å
178N96.4Very high95.2Very high64 Ų6456.7 Ų56.734%0.34227%0.267SS..EExtended strand (participates in β ladder)trans-94.3137.7177.6-157.5-3.2000109.2N152 S153 F154N152-N178 PolarHBondContact O-OD1 3.41Å; S153-N178 WeakPolarHBondContact CA-OD1 3.41Å; F154-N178 PolarHBondContact N-OD1 3.43Å; F154-N178 VanDerWaalsContact N-OD1 3.11Å
179Q96.3Very high95.2Very high14 Ų1453.5 Ų53.57%0.06525%0.254CS..PPolyproline II helixtrans-74.7164.4170.280.8-166-80.900110.7M151 N152 P209 G211 D214M151-Q179 HydrophobicContact CE-CB 3.37Å; M151-Q179 HydrophobicContact CE-CG 4.24Å; M151-Q179 HydrophobicContact CG-CB 4.3Å; N152-Q179 WeakPolarHBondContact O-CG 3.45Å; N152-Q179 PolarHBondContact O-N 3.22Å; N152-Q179 VanDerWaalsContact O-N 3.1Å; N152-Q179 PolarHBondContact O-NE2 3.4Å; Q179-P209 HydrophobicContact CG-CB 4.07Å; Q179-G211 PolarHBondContact OE1-O 3.27Å; Q179-D214 WeakPolarHBondContact CB-OD2 3.35Å
180S96Very high95.1Very high5 Ų546.4 Ų46.44%0.03522%0.222CC..PPolyproline II helixtrans-61.6158.4180-710000112.8D43 P210 D214D43-S180 VanDerWaalsContact OD1-CB 3.3Å; D43-S180 WeakPolarHBondContact OD1-CB 3.29Å; D43-S180 PolarHBondContact OD1-OG 3.36Å; D43-S180 WeakPolarHBondContact OD2-CA 3.05Å; S180-P210 WeakPolarHBondContact O-CD 3.45Å; S180-D214 PolarHBondContact N-OD2 3.47Å
181R94Very high95Very high30 Ų3047.2 Ų47.211%0.11322%0.224CC..  trans-122.3112.7178.9-178.3177.869.6170.52.9110.5D43 F154 V197 W207D43-R181 PolarHBondContact OD2-N 3.21Å; F154-R181 HydrophobicContact CD1-CB 3.9Å; F154-R181 HydrophobicContact CD1-CG 3.58Å; F154-R181 HydrophobicContact CE1-CB 4.23Å; F154-R181 HydrophobicContact CE1-CG 3.62Å; F154-R181 HydrophobicContact CG-CG 4.23Å; F154-R181 HydrophobicContact CZ-CG 4.3Å; R181-V197 PolarHBondContact NH2-O 3.15Å; R181-W207 HydrophobicContact CG-CB 3.78Å; R181-W207 HydrophobicContact CG-CD2 4.04Å; R181-W207 HydrophobicContact CG-CE3 3.71Å; R181-W207 HydrophobicContact CG-CG 4.09Å
182Y95.4Very high94.9Very high15 Ų1543.4 Ų43.46%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-107.3147.5-176-71.2-1.5000112.7D43 G46 F47 L50 W207 Y208 P210D43-Y182 HydrophobicContact CB-CD1 4.46Å; D43-Y182 HydrophobicContact CB-CE1 4.19Å; D43-Y182 WeakPolarHBondContact O-CE1 3.47Å; G46-Y182 VanDerWaalsContact C-OH 3.3Å; G46-Y182 WeakPolarHBondContact CA-OH 3.37Å; F47-Y182 HydrophobicContact CB-CD1 3.79Å; F47-Y182 HydrophobicContact CB-CD2 3.92Å; F47-Y182 HydrophobicContact CB-CE1 3.97Å; F47-Y182 HydrophobicContact CB-CE2 4.09Å; F47-Y182 HydrophobicContact CB-CG 3.79Å; F47-Y182 AromaticContact CD2-CD2 3.73Å; F47-Y182 HydrophobicContact CD2-CD2 3.73Å; F47-Y182 AromaticContact CD2-CG 3.8Å; F47-Y182 HydrophobicContact CD2-CG 3.8Å; F47-Y182 HydrophobicContact CG-CD2 4.32Å; F47-Y182 HydrophobicContact CG-CG 4.22Å; F47-Y182 PolarHBondContact N-OH 3.01Å; L50-Y182 HydrophobicContact CD2-CD2 4.32Å; L50-Y182 HydrophobicContact CD2-CE2 4.03Å; Y182-W207 CarbonylContact O-C 3.53Å; Y182-W207 WeakPolarHBondContact O-CA 3.36Å; Y182-Y208 PolarHBondContact N-O 2.76Å; Y182-Y208 WeakPolarHBondContact O-CD1 3.38Å; Y182-Y208 WeakPolarHBondContact O-CE1 3.41Å; Y182-Y208 PolarHBondContact O-N 3.18Å; Y182-P210 HydrophobicContact CD1-CG 4.47Å; Y182-P210 HydrophobicContact CD2-CB 3.44Å; Y182-P210 VanDerWaalsContact CD2-CB 3.44Å; Y182-P210 HydrophobicContact CD2-CG 3.9Å; Y182-P210 HydrophobicContact CE1-CG 4.43Å; Y182-P210 HydrophobicContact CE2-CB 3.57Å; Y182-P210 HydrophobicContact CE2-CG 3.86Å; Y182-P210 HydrophobicContact CG-CB 4.11Å; Y182-P210 HydrophobicContact CG-CG 4.2Å
183P94.7Very high94.5Very high0 Ų044.4 Ų44.40%022%0.218CC..EExtended strand (participates in β ladder)trans-78.2134.417831.5-33000110.3L25 L44 F47 P192 A194 W207 Y208L25-P183 HydrophobicContact CD2-CG 3.91Å; L44-P183 HydrophobicContact CD2-CG 4.47Å; F47-P183 HydrophobicContact CD1-CG 4.12Å; F47-P183 HydrophobicContact CD2-CG 4.41Å; F47-P183 HydrophobicContact CE1-CG 3.96Å; F47-P183 HydrophobicContact CE2-CG 4.24Å; F47-P183 WeakPolarHBondContact CE2-O 3.26Å; F47-P183 HydrophobicContact CG-CG 4.33Å; F47-P183 HydrophobicContact CZ-CG 4.01Å; P183-P192 HydrophobicContact CB-CB 4.2Å; P183-P192 HydrophobicContact CG-CB 4.38Å; P183-A194 HydrophobicContact CB-CB 4.01Å; P183-W207 HydrophobicContact CB-CE3 4.09Å; P183-W207 HydrophobicContact CB-CH2 4.32Å; P183-W207 HydrophobicContact CB-CZ3 3.93Å; P183-W207 HydrophobicContact CG-CZ3 4.21Å; P183-Y208 WeakPolarHBondContact O-CE1 3.26Å
184R94.9Very high94.1Very high39 Ų3940.1 Ų40.115%0.14720%0.2CC..  trans-63.5150.9172-65.1-177.3-167171.9-4.2109.5P192 V193 E205 A206 W207 Y208 V354 Q356R184-P192 CarbonylContact O-C 3.54Å; R184-P192 WeakPolarHBondContact O-CA 3.28Å; R184-V193 HydrophobicContact CB-CG2 4.49Å; R184-V193 PolarHBondContact O-N 3.44Å; R184-E205 WeakPolarHBondContact CD-O 3.45Å; R184-E205 PolarHBondContact NE-O 2.97Å; R184-E205 PolarHBondContact NH1-O 3.5Å; R184-A206 WeakPolarHBondContact CB-O 3.49Å; R184-A206 WeakPolarHBondContact CG-O 3.26Å; R184-A206 PolarHBondContact N-O 3.39Å; R184-W207 VanDerWaalsContact CZ-O 3.29Å; R184-W207 PolarHBondContact NE-O 3.17Å; R184-W207 PolarHBondContact NH2-O 3.3Å; R184-Y208 HydrophobicContact CB-CD1 4.43Å; R184-Y208 HydrophobicContact CG-CD1 3.58Å; R184-Y208 HydrophobicContact CG-CE1 4.34Å; R184-Y208 HydrophobicContact CG-CG 4.27Å; R184-V354 HydrophobicContact CB-CB 4.38Å; R184-Q356 HydrophobicContact CG-CG 4.07Å
185I94.6Very high93.3Very high3 Ų346.1 Ų46.12%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-110.4134.5-176.8-52.3178000108.3F47 F51 K187 L190 L191 V354 I355 L357F47-I185 HydrophobicContact CE2-CD1 3.89Å; F47-I185 HydrophobicContact CE2-CG1 4.09Å; F47-I185 HydrophobicContact CZ-CD1 3.58Å; F47-I185 HydrophobicContact CZ-CG1 3.7Å; F51-I185 HydrophobicContact CD2-CD1 3.52Å; F51-I185 HydrophobicContact CE2-CD1 3.66Å; I185-K187 PolarHBondContact O-N 3.45Å; I185-L190 HydrophobicContact CG2-CB 4.43Å; I185-L190 WeakPolarHBondContact CG2-O 3.29Å; I185-L191 WeakPolarHBondContact CA-O 3.36Å; I185-V354 CarbonylContact O-C 3.58Å; I185-V354 WeakPolarHBondContact O-CA 3.46Å; I185-V354 WeakPolarHBondContact O-CB 3.35Å; I185-I355 HydrophobicContact CB-CB 4.46Å; I185-I355 PolarHBondContact N-O 3.46Å; I185-I355 PolarHBondContact O-N 2.79Å; I185-L357 HydrophobicContact CD1-CD1 3.84Å; I185-L357 HydrophobicContact CD1-CG 4.13Å
186N94.3Very high92.6Very high34 Ų3445.4 Ų45.418%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-66.9133.1171.6179.4-58.2000110E188 S189 L190 L191 V193 L352N186-E188 VanDerWaalsContact C-N 3.3Å; N186-E188 PolarHBondContact O-N 3.32Å; N186-E188 PolarHBondContact OD1-N 2.95Å; N186-S189 WeakPolarHBondContact CB-OG 3.31Å; N186-S189 PolarHBondContact OD1-N 3.12Å; N186-S189 VanDerWaalsContact OD1-N 3.11Å; N186-L190 VanDerWaalsContact O-CA 3.27Å; N186-L190 WeakPolarHBondContact O-CA 3.34Å; N186-L190 PolarHBondContact O-N 3.28Å; N186-L191 PolarHBondContact N-O 3.37Å; N186-V193 HydrophobicContact CB-CG2 4.18Å; N186-L352 WeakPolarHBondContact ND2-CD1 3.36Å
187K92.1Very high91.8Very high113 Ų11343.9 Ų43.949%0.49122%0.215SC..THydrogen-bonded Turntrans-63.7-32.4-174.7-176.9176.8-179.6-173.80113.7I185 N353 I355I185-K187 PolarHBondContact O-N 3.45Å; K187-N353 HydrophobicContact CB-CB 4Å; K187-N353 WeakPolarHBondContact CB-O 3.39Å; K187-N353 HydrophobicContact CD-CB 4.08Å; K187-N353 PolarHBondContact N-O 3.47Å; K187-I355 HydrophobicContact CB-CD1 4.25Å; K187-I355 HydrophobicContact CB-CG1 4.07Å; K187-I355 HydrophobicContact CG-CD1 4.04Å; K187-I355 HydrophobicContact CG-CG1 4.14Å
188E89.8Confident90.8Very high172 Ų17245.9 Ų45.980%0.80423%0.231SC*.THydrogen-bonded Turntrans-90.5-48.8-176.8-63.3-170.2-177.800111.9N186N186-E188 VanDerWaalsContact C-N 3.3Å; N186-E188 PolarHBondContact O-N 3.32Å; N186-E188 PolarHBondContact OD1-N 2.95Å
189S90.9Very high89.5Confident53 Ų5347.3 Ų47.337%0.37123%0.232SC..THydrogen-bonded Turntrans-81-18.6-177.869.20000113.9N186 L191N186-S189 WeakPolarHBondContact CB-OG 3.31Å; N186-S189 PolarHBondContact OD1-N 3.12Å; N186-S189 VanDerWaalsContact OD1-N 3.11Å; S189-L191 PolarHBondContact O-N 2.93Å; S189-L191 PolarHBondContact OG-N 3.43Å
190L91.8Very high88.1Confident39 Ų3950.3 Ų50.320%0.20426%0.255CS..  trans56.221.9-171.1-59.6179.4000114.2L17 V21 F51 I185 N186 I355L17-L190 HydrophobicContact CD1-CD1 4.46Å; V21-L190 WeakPolarHBondContact CG2-O 3.48Å; F51-L190 HydrophobicContact CZ-CB 4.46Å; I185-L190 HydrophobicContact CG2-CB 4.43Å; I185-L190 WeakPolarHBondContact CG2-O 3.29Å; N186-L190 VanDerWaalsContact O-CA 3.27Å; N186-L190 WeakPolarHBondContact O-CA 3.34Å; N186-L190 PolarHBondContact O-N 3.28Å; L190-I355 HydrophobicContact CD2-CD1 4.1Å
191L92.6Very high86.8Confident53 Ų5353 Ų5328%0.27728%0.283SS..SBendtrans-101.3153.9175.8-61.5177.8000111.5V21 I185 N186 S189V21-L191 HydrophobicContact CG2-CD2 3.87Å; I185-L191 WeakPolarHBondContact CA-O 3.36Å; N186-L191 PolarHBondContact N-O 3.37Å; S189-L191 PolarHBondContact O-N 2.93Å; S189-L191 PolarHBondContact OG-N 3.43Å
192P92.4Very high85.2Confident18 Ų1860.3 Ų60.312%0.11732%0.319CS..BIsolated β-bridgetrans-54.5138.5172.3-24.534.4000112V21 E24 L25 I28 P183 R184V21-P192 HydrophobicContact CG1-CG 4.23Å; E24-P192 HydrophobicContact CB-CG 4.27Å; L25-P192 HydrophobicContact CD2-CG 3.84Å; L25-P192 HydrophobicContact CG-CG 4.45Å; I28-P192 HydrophobicContact CD1-CB 4.15Å; P183-P192 HydrophobicContact CB-CB 4.2Å; P183-P192 HydrophobicContact CG-CB 4.38Å; R184-P192 CarbonylContact O-C 3.54Å; R184-P192 WeakPolarHBondContact O-CA 3.28Å
193V90.4Very high84Confident35 Ų3560.9 Ų60.921%0.21232%0.323CS..SBendtrans-80.3-35.9174.5177.70000110.9R184 N186 A206 L352 V354R184-V193 HydrophobicContact CB-CG2 4.49Å; R184-V193 PolarHBondContact O-N 3.44Å; N186-V193 HydrophobicContact CB-CG2 4.18Å; V193-A206 HydrophobicContact CG1-CB 4.35Å; V193-L352 HydrophobicContact CG1-CD2 3.96Å; V193-L352 HydrophobicContact CG2-CD2 4.17Å; V193-V354 HydrophobicContact CG2-CG1 3.92Å
194A86.9Confident83.1Confident4 Ų463.2 Ų63.23%0.03334%0.337CS..  trans-65.3135.5178.100000110.6I28 P183 A206 W207I28-A194 HydrophobicContact CD1-CB 4.28Å; I28-A194 WeakPolarHBondContact CD1-O 3.45Å; P183-A194 HydrophobicContact CB-CB 4.01Å; A194-A206 HydrophobicContact CB-CB 3.82Å; A194-W207 HydrophobicContact CB-CD2 4.42Å; A194-W207 HydrophobicContact CB-CH2 4.45Å; A194-W207 HydrophobicContact CB-CZ2 3.73Å
195K83.1Confident82.5Confident168 Ų16864.5 Ų64.573%0.7335%0.345SS*.  trans-104-21.9176.9-64.1-177.2-178.2174.80113.2
196D83.2Confident82.3Confident43 Ų4364.5 Ų64.523%0.2335%0.345CS..SBendtrans-151.1167.3-177.962.781.8000110T31 S198 N203 W207T31-D196 HydrophobicContact CG2-CB 3.83Å; T31-D196 WeakPolarHBondContact OG1-CA 3.38Å; T31-D196 WeakPolarHBondContact OG1-CB 3.03Å; D196-S198 VanDerWaalsContact C-N 3.27Å; D196-S198 WeakPolarHBondContact OD1-CA 3.42Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 2.92Å; D196-S198 PolarHBondContact OD1-OG 3.03Å; D196-N203 PolarHBondContact OD1-ND2 3.27Å; D196-N203 PolarHBondContact OD2-ND2 2.94Å; D196-W207 WeakPolarHBondContact O-CZ2 3.48Å
197V81.2Confident82.2Confident7 Ų763 Ų634%0.04234%0.337CS..SBendtrans-78.5-12.9-177.6177.10000112.2I28 T31 A32 T40 R181I28-V197 HydrophobicContact CG2-CG2 3.61Å; I28-V197 VanDerWaalsContact O-CG2 3.32Å; I28-V197 WeakPolarHBondContact O-CG2 3.43Å; T31-V197 PolarHBondContact OG1-N 3.21Å; A32-V197 HydrophobicContact CB-CG1 4.48Å; A32-V197 HydrophobicContact CB-CG2 4.09Å; T40-V197 HydrophobicContact CG2-CG1 4.42Å; T40-V197 HydrophobicContact CG2-CG2 4.06Å; R181-V197 PolarHBondContact NH2-O 3.15Å
198S76Confident82.2Confident54 Ų5457.7 Ų57.738%0.37831%0.314SS..  trans-64.6139.9-174.483.50000111.1D196 N203D196-S198 VanDerWaalsContact C-N 3.27Å; D196-S198 WeakPolarHBondContact OD1-CA 3.42Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 2.92Å; D196-S198 PolarHBondContact OD1-OG 3.03Å; S198-N203 WeakPolarHBondContact O-CB 3.2Å
199Y67.9Low82.5Confident94 Ų9451 Ų5137%0.36929%0.286SS..  trans-107.564.4-179.6-164.5-107.1000109.5F154 N155 T204F154-Y199 HydrophobicContact CD2-CD2 4.48Å; F154-Y199 AromaticContact CD2-CE2 3.61Å; F154-Y199 HydrophobicContact CD2-CE2 3.61Å; F154-Y199 AromaticContact CD2-CZ 3.63Å; F154-Y199 WeakPolarHBondContact CD2-OH 3.44Å; F154-Y199 AromaticContact CE2-CE2 3.6Å; F154-Y199 HydrophobicContact CE2-CE2 3.6Å; F154-Y199 AromaticContact CE2-CZ 3.81Å; F154-Y199 WeakPolarHBondContact CE2-OH 3.32Å; N155-Y199 PolarHBondContact OD1-OH 3.04Å; Y199-T204 HydrophobicContact CD1-CG2 4.04Å; Y199-T204 HydrophobicContact CD2-CG2 4.13Å; Y199-T204 HydrophobicContact CE1-CG2 3.87Å; Y199-T204 HydrophobicContact CE2-CG2 3.95Å; Y199-T204 HydrophobicContact CG-CG2 4.17Å
200S67.9Low82.7Confident77 Ų7748.6 Ų48.654%0.53827%0.269SS..SBendtrans-139.8146.3179.769.90000111.6E202 N203S200-E202 PolarHBondContact O-N 3.18Å; S200-N203 PolarHBondContact O-N 3.16Å
201G68.6Low82.8Confident61 Ų6147.3 Ų47.363%0.62927%0.265SS*.G310 helixtrans57.1-133.9179.400000113.6N203 T204G201-N203 PolarHBondContact O-N 2.88Å; G201-T204 PolarHBondContact O-N 3.44Å; G201-T204 PolarHBondContact O-OG1 2.86Å
202E60.8Low82.9Confident184 Ų18448.1 Ų48.186%0.8627%0.267SS*.G310 helixtrans-62.9-22.1-177.9-64.8-178.3171.400113.8S200 T204 E205S200-E202 PolarHBondContact O-N 3.18Å; E202-T204 PolarHBondContact O-N 3.37Å; E202-E205 PolarHBondContact O-N 3.29Å
203N70.4Confident83Confident28 Ų2847.2 Ų47.215%0.1526%0.261CS..G310 helixtrans-70.2-17.4178.3-91.6-3.7000113.3D196 S198 S200 G201 E205 A206 W207D196-N203 PolarHBondContact OD1-ND2 3.27Å; D196-N203 PolarHBondContact OD2-ND2 2.94Å; S198-N203 WeakPolarHBondContact O-CB 3.2Å; S200-N203 PolarHBondContact O-N 3.16Å; G201-N203 PolarHBondContact O-N 2.88Å; N203-E205 PolarHBondContact O-N 2.99Å; N203-A206 VanDerWaalsContact O-CB 3.32Å; N203-A206 WeakPolarHBondContact O-CB 3.41Å; N203-A206 PolarHBondContact O-N 2.91Å; N203-W207 VanDerWaalsContact O-CD1 3.25Å
204T74.3Confident83.3Confident49 Ų4946 Ų4630%0.30125%0.254SS..G310 helixtrans-59.9-34.2176.355.20000111.9Y199 G201 E202 A206Y199-T204 HydrophobicContact CD1-CG2 4.04Å; Y199-T204 HydrophobicContact CD2-CG2 4.13Å; Y199-T204 HydrophobicContact CE1-CG2 3.87Å; Y199-T204 HydrophobicContact CE2-CG2 3.95Å; Y199-T204 HydrophobicContact CG-CG2 4.17Å; G201-T204 PolarHBondContact O-N 3.44Å; G201-T204 PolarHBondContact O-OG1 2.86Å; E202-T204 PolarHBondContact O-N 3.37Å; T204-A206 VanDerWaalsContact C-N 3.34Å
205E83.1Confident83.9Confident65 Ų6545.9 Ų45.930%0.30425%0.252SS..G310 helixtrans-83.6-6.9174.8-60-156.4163.600113.9R184 E202 N203 W207 L348R184-E205 WeakPolarHBondContact CD-O 3.45Å; R184-E205 PolarHBondContact NE-O 2.97Å; R184-E205 PolarHBondContact NH1-O 3.5Å; E202-E205 PolarHBondContact O-N 3.29Å; N203-E205 PolarHBondContact O-N 2.99Å; E205-W207 VanDerWaalsContact C-N 3.26Å; E205-W207 PolarHBondContact O-N 2.81Å; E205-L348 HydrophobicContact CB-CD1 4.4Å
206A89.4Confident84.6Confident4 Ų438.2 Ų38.23%0.03322%0.219CC..G310 helixtrans-77.6-15.5178.200000112.4R184 V193 A194 N203 T204R184-A206 WeakPolarHBondContact CB-O 3.49Å; R184-A206 WeakPolarHBondContact CG-O 3.26Å; R184-A206 PolarHBondContact N-O 3.39Å; V193-A206 HydrophobicContact CG1-CB 4.35Å; A194-A206 HydrophobicContact CB-CB 3.82Å; N203-A206 VanDerWaalsContact O-CB 3.32Å; N203-A206 WeakPolarHBondContact O-CB 3.41Å; N203-A206 PolarHBondContact O-N 2.91Å; T204-A206 VanDerWaalsContact C-N 3.34Å
207W92.3Very high85.2Confident2 Ų237.2 Ų37.21%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-111.4158.3-176-60.593.5000112.6I28 L44 F154 R181 Y182 P183 R184 A194 D196 N203 E205I28-W207 HydrophobicContact CG2-CH2 3.86Å; I28-W207 HydrophobicContact CG2-CZ2 3.99Å; L44-W207 HydrophobicContact CD2-CH2 4.29Å; L44-W207 HydrophobicContact CD2-CZ3 4.19Å; F154-W207 HydrophobicContact CZ-CB 4.11Å; R181-W207 HydrophobicContact CG-CB 3.78Å; R181-W207 HydrophobicContact CG-CD2 4.04Å; R181-W207 HydrophobicContact CG-CE3 3.71Å; R181-W207 HydrophobicContact CG-CG 4.09Å; Y182-W207 CarbonylContact O-C 3.53Å; Y182-W207 WeakPolarHBondContact O-CA 3.36Å; P183-W207 HydrophobicContact CB-CE3 4.09Å; P183-W207 HydrophobicContact CB-CH2 4.32Å; P183-W207 HydrophobicContact CB-CZ3 3.93Å; P183-W207 HydrophobicContact CG-CZ3 4.21Å; R184-W207 VanDerWaalsContact CZ-O 3.29Å; R184-W207 PolarHBondContact NE-O 3.17Å; R184-W207 PolarHBondContact NH2-O 3.3Å; A194-W207 HydrophobicContact CB-CD2 4.42Å; A194-W207 HydrophobicContact CB-CH2 4.45Å; A194-W207 HydrophobicContact CB-CZ2 3.73Å; D196-W207 WeakPolarHBondContact O-CZ2 3.48Å; N203-W207 VanDerWaalsContact O-CD1 3.25Å; E205-W207 VanDerWaalsContact C-N 3.26Å; E205-W207 PolarHBondContact O-N 2.81Å
208Y93.9Very high85.9Confident2 Ų237.2 Ų37.21%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-150.4151.7174.172-71.8000111.5Y182 P183 R184 Q356 L357 E358Y182-Y208 PolarHBondContact N-O 2.76Å; Y182-Y208 WeakPolarHBondContact O-CD1 3.38Å; Y182-Y208 WeakPolarHBondContact O-CE1 3.41Å; Y182-Y208 PolarHBondContact O-N 3.18Å; P183-Y208 WeakPolarHBondContact O-CE1 3.26Å; R184-Y208 HydrophobicContact CB-CD1 4.43Å; R184-Y208 HydrophobicContact CG-CD1 3.58Å; R184-Y208 HydrophobicContact CG-CE1 4.34Å; R184-Y208 HydrophobicContact CG-CG 4.27Å; Y208-Q356 HydrophobicContact CD1-CB 4.48Å; Y208-Q356 HydrophobicContact CD1-CG 3.97Å; Y208-Q356 HydrophobicContact CD2-CB 3.73Å; Y208-Q356 HydrophobicContact CD2-CG 3.8Å; Y208-Q356 HydrophobicContact CE1-CB 4.44Å; Y208-Q356 HydrophobicContact CE1-CG 4.3Å; Y208-Q356 HydrophobicContact CE2-CB 3.68Å; Y208-Q356 HydrophobicContact CE2-CG 4.16Å; Y208-Q356 HydrophobicContact CG-CB 4.17Å; Y208-Q356 HydrophobicContact CG-CG 3.72Å; Y208-L357 VanDerWaalsContact CE2-O 3.32Å; Y208-L357 WeakPolarHBondContact CE2-O 3.49Å; Y208-L357 PolarHBondContact OH-N 2.82Å; Y208-L357 PolarHBondContact OH-O 2.79Å; Y208-E358 HydrophobicContact CD2-CG 4.17Å; Y208-E358 HydrophobicContact CE2-CG 3.84Å
209P95.4Very high86.9Confident32 Ų3234.7 Ų34.721%0.20820%0.199CC..  trans-74.3133.9167.828.8-30.9000109.5F154 Q179 G211F154-P209 HydrophobicContact CE1-CB 4.43Å; Q179-P209 HydrophobicContact CG-CB 4.07Å; P209-G211 PolarHBondContact O-N 2.96Å
210P95.3Very high88.3Confident2 Ų233.7 Ų33.71%0.01320%0.195CC..  trans-75.933.6-173.628.3-32.1000115.3S180 Y182 D214 E358 T359S180-P210 WeakPolarHBondContact O-CD 3.45Å; Y182-P210 HydrophobicContact CD1-CG 4.47Å; Y182-P210 HydrophobicContact CD2-CB 3.44Å; Y182-P210 VanDerWaalsContact CD2-CB 3.44Å; Y182-P210 HydrophobicContact CD2-CG 3.9Å; Y182-P210 HydrophobicContact CE1-CG 4.43Å; Y182-P210 HydrophobicContact CE2-CB 3.57Å; Y182-P210 HydrophobicContact CE2-CG 3.86Å; Y182-P210 HydrophobicContact CG-CB 4.11Å; Y182-P210 HydrophobicContact CG-CG 4.2Å; P210-D214 HydrophobicContact CG-CB 3.81Å; P210-E358 WeakPolarHBondContact O-CA 3.35Å; P210-T359 PolarHBondContact O-N 3.16Å; P210-T359 VanDerWaalsContact O-N 3.14Å
211G93.8Very high89.6Confident12 Ų1233.6 Ų33.612%0.12419%0.189CC..  trans71.9176.8-17600000112.7Q179 P209 G213 D214Q179-G211 PolarHBondContact OE1-O 3.27Å; P209-G211 PolarHBondContact O-N 2.96Å; G211-G213 VanDerWaalsContact C-N 3.25Å; G211-G213 PolarHBondContact O-N 2.91Å; G211-D214 PolarHBondContact O-N 3.18Å
212H93.9Very high90.9Very high69 Ų6933 Ų3332%0.31918%0.175SC..G310 helixtrans-75.6-9.6-173.75151.6000114.1L102 D214 I215 A360 V361L102-H212 HydrophobicContact CD1-CB 3.82Å; L102-H212 HydrophobicContact CD2-CB 4.39Å; H212-D214 PolarHBondContact O-N 3.46Å; H212-I215 VanDerWaalsContact O-CG2 3.29Å; H212-I215 WeakPolarHBondContact O-CG2 3.34Å; H212-I215 PolarHBondContact O-N 3.36Å; H212-A360 WeakPolarHBondContact CE1-CA 3.5Å; H212-A360 WeakPolarHBondContact ND1-CA 3.43Å; H212-V361 HydrophobicContact CB-CG1 4.47Å; H212-V361 PolarHBondContact CE1-N 3.27Å; H212-V361 VanDerWaalsContact CE1-N 3.32Å; H212-V361 WeakPolarHBondContact ND1-CG1 3.47Å; H212-V361 PolarHBondContact ND1-N 3.31Å
213G95.6Very high92.6Very high0 Ų025.5 Ų25.50%015%0.147CC..G310 helixtrans-67.1-19.3174.100000114G211 I215 Y216 T359G211-G213 VanDerWaalsContact C-N 3.25Å; G211-G213 PolarHBondContact O-N 2.91Å; G213-I215 PolarHBondContact O-N 2.67Å; G213-I215 VanDerWaalsContact O-N 3.12Å; G213-Y216 VanDerWaalsContact O-CD2 3.24Å; G213-Y216 WeakPolarHBondContact O-CD2 3.33Å; G213-T359 WeakPolarHBondContact CA-O 3.34Å; G213-T359 WeakPolarHBondContact CA-OG1 3.33Å; G213-T359 PolarHBondContact N-O 2.93Å
214D97.1Very high93.9Very high9 Ų925.2 Ų25.25%0.04815%0.146CC..G310 helixtrans-64.6-14.6176.1-175.567.8000114.3M151 Q179 S180 P210 G211 H212 Y216 A217 S218M151-D214 HydrophobicContact CE-CB 4.28Å; Q179-D214 WeakPolarHBondContact CB-OD2 3.35Å; S180-D214 PolarHBondContact N-OD2 3.47Å; P210-D214 HydrophobicContact CG-CB 3.81Å; G211-D214 PolarHBondContact O-N 3.18Å; H212-D214 PolarHBondContact O-N 3.46Å; D214-Y216 PolarHBondContact O-N 2.78Å; D214-A217 PolarHBondContact O-N 2.89Å; D214-S218 PolarHBondContact O-N 2.97Å; D214-S218 PolarHBondContact O-OG 3.36Å; D214-S218 VanDerWaalsContact OD2-CB 3.25Å; D214-S218 WeakPolarHBondContact OD2-CB 3.42Å; D214-S218 PolarHBondContact OD2-OG 2.93Å
215I97.9Very high95Very high2 Ų222.9 Ų22.91%0.0113%0.131CC..Hα-helixtrans-46.5-39.1179.4-172.5173.2000112.8V100 L102 M151 F177 H212 G213 F219 V238 V361V100-I215 HydrophobicContact CG1-CD1 4.12Å; L102-I215 HydrophobicContact CD2-CD1 4.23Å; M151-I215 HydrophobicContact CE-CB 4.02Å; M151-I215 HydrophobicContact SD-CB 3.68Å; M151-I215 HydrophobicContact SD-CD1 4.35Å; M151-I215 HydrophobicContact SD-CG1 3.93Å; F177-I215 HydrophobicContact CZ-CG1 4.37Å; H212-I215 VanDerWaalsContact O-CG2 3.29Å; H212-I215 WeakPolarHBondContact O-CG2 3.34Å; H212-I215 PolarHBondContact O-N 3.36Å; G213-I215 PolarHBondContact O-N 2.67Å; G213-I215 VanDerWaalsContact O-N 3.12Å; I215-F219 WeakPolarHBondContact O-CB 3.16Å; I215-F219 PolarHBondContact O-N 3.1Å; I215-V238 HydrophobicContact CD1-CG1 3.85Å; I215-V238 HydrophobicContact CD1-CG2 3.8Å; I215-V361 HydrophobicContact CG2-CB 4.18Å; I215-V361 HydrophobicContact CG2-CG2 3.59Å
216Y97.7Very high95.7Very high6 Ų622.8 Ų22.82%0.02413%0.133CC..Hα-helixtrans-66.4-43.4-178.1-53.6-69.6000112.4G213 D214 Y220 F267 I323 V328 I337 M339 V361 A364 F368G213-Y216 VanDerWaalsContact O-CD2 3.24Å; G213-Y216 WeakPolarHBondContact O-CD2 3.33Å; D214-Y216 PolarHBondContact O-N 2.78Å; Y216-Y220 VanDerWaalsContact O-CB 3.3Å; Y216-Y220 WeakPolarHBondContact O-CB 3.32Å; Y216-Y220 PolarHBondContact O-N 3.35Å; Y216-F267 WeakPolarHBondContact OH-CE2 3.44Å; Y216-I323 HydrophobicContact CE1-CD1 4.11Å; Y216-V328 HydrophobicContact CD1-CG1 4.15Å; Y216-V328 HydrophobicContact CD1-CG2 4.16Å; Y216-V328 HydrophobicContact CE1-CG2 4.34Å; Y216-I337 HydrophobicContact CD1-CD1 4Å; Y216-I337 HydrophobicContact CD2-CD1 4.37Å; Y216-I337 HydrophobicContact CD2-CG2 4Å; Y216-I337 HydrophobicContact CE2-CG2 4.34Å; Y216-I337 HydrophobicContact CG-CD1 3.75Å; Y216-I337 HydrophobicContact CG-CG2 4.42Å; Y216-M339 HydrophobicContact CD2-CE 4.16Å; Y216-M339 HydrophobicContact CD2-SD 4.02Å; Y216-M339 HydrophobicContact CE2-SD 3.77Å; Y216-V361 HydrophobicContact CE2-CG2 4.14Å; Y216-V361 VanDerWaalsContact OH-CG2 3.26Å; Y216-V361 WeakPolarHBondContact OH-CG2 3.45Å; Y216-V361 PolarHBondContact OH-O 2.86Å; Y216-A364 HydrophobicContact CE2-CB 3.53Å; Y216-A364 WeakPolarHBondContact OH-CB 3.36Å; Y216-F368 HydrophobicContact CE1-CE2 4.39Å; Y216-F368 HydrophobicContact CE1-CZ 4.07Å
217A96.3Very high96.1Very high23 Ų2325.7 Ų25.719%0.1915%0.151CC..Hα-helixtrans-75.1-49.2-179.200000111.3D214 Y220 N221D214-A217 PolarHBondContact O-N 2.89Å; A217-Y220 PolarHBondContact O-N 2.83Å; A217-N221 WeakPolarHBondContact O-CB 3.17Å; A217-N221 PolarHBondContact O-N 2.96Å; A217-N221 PolarHBondContact O-ND2 2.79Å
218S96.7Very high96.4Very high6 Ų625.6 Ų25.64%0.04215%0.15CC..Hα-helixtrans-69.5-35.7-177.945.20000112.9D214 N221 S222D214-S218 PolarHBondContact O-N 2.97Å; D214-S218 PolarHBondContact O-OG 3.36Å; D214-S218 VanDerWaalsContact OD2-CB 3.25Å; D214-S218 WeakPolarHBondContact OD2-CB 3.42Å; D214-S218 PolarHBondContact OD2-OG 2.93Å; S218-N221 PolarHBondContact O-N 3.09Å; S218-S222 WeakPolarHBondContact O-CB 3.42Å; S218-S222 PolarHBondContact O-N 2.68Å
219F97.3Very high96.6Very high2 Ų228.3 Ų28.31%0.00916%0.164CC..Hα-helixtrans-68.2-39.1175.1-169.5-127.8000112.2V149 F177 I215 S222 L224 L225 F228 I236 L325V149-F219 HydrophobicContact CG1-CE2 4.3Å; F177-F219 HydrophobicContact CD1-CD2 4.07Å; F177-F219 AromaticContact CE1-CD2 3.67Å; F177-F219 HydrophobicContact CE1-CD2 3.67Å; F177-F219 HydrophobicContact CE1-CE2 4.31Å; F177-F219 HydrophobicContact CE2-CB 4.14Å; F177-F219 HydrophobicContact CZ-CB 4Å; F177-F219 AromaticContact CZ-CD2 3.94Å; F177-F219 HydrophobicContact CZ-CD2 3.94Å; F177-F219 HydrophobicContact CZ-CG 4.37Å; I215-F219 WeakPolarHBondContact O-CB 3.16Å; I215-F219 PolarHBondContact O-N 3.1Å; F219-S222 PolarHBondContact O-OG 3.18Å; F219-L224 HydrophobicContact CD2-CB 4.03Å; F219-L224 HydrophobicContact CD2-CD1 4.49Å; F219-L224 HydrophobicContact CE2-CB 3.57Å; F219-L224 HydrophobicContact CE2-CD1 4.23Å; F219-L224 HydrophobicContact CZ-CB 4.29Å; F219-L225 HydrophobicContact CD1-CB 4.04Å; F219-L225 HydrophobicContact CD1-CD1 3.76Å; F219-L225 HydrophobicContact CD1-CG 4.5Å; F219-L225 HydrophobicContact CE1-CB 4.12Å; F219-L225 HydrophobicContact CE1-CD1 3.64Å; F219-F228 HydrophobicContact CE2-CD2 4.25Å; F219-F228 HydrophobicContact CE2-CE2 4.16Å; F219-F228 AromaticContact CZ-CD2 3.77Å; F219-F228 HydrophobicContact CZ-CD2 3.77Å; F219-F228 HydrophobicContact CZ-CE2 4.1Å; F219-I236 HydrophobicContact CE1-CG2 4.2Å; F219-I236 HydrophobicContact CZ-CG2 4.37Å; F219-L325 HydrophobicContact CE1-CD2 3.73Å; F219-L325 HydrophobicContact CZ-CD2 4.38Å
220Y96.8Very high96.7Very high72 Ų7230.1 Ų30.128%0.28219%0.188SC..Hα-helixtrans-62.2-51.2171.7178.7-95.3000111.3Y216 A217 S222 G223 L225 Q332 E333Y216-Y220 VanDerWaalsContact O-CB 3.3Å; Y216-Y220 WeakPolarHBondContact O-CB 3.32Å; Y216-Y220 PolarHBondContact O-N 3.35Å; A217-Y220 PolarHBondContact O-N 2.83Å; Y220-S222 PolarHBondContact O-N 2.97Å; Y220-G223 PolarHBondContact O-N 2.9Å; Y220-G223 VanDerWaalsContact O-N 3.08Å; Y220-L225 HydrophobicContact CD2-CD2 3.67Å; Y220-Q332 HydrophobicContact CD1-CG 4.25Å; Y220-Q332 HydrophobicContact CD2-CG 4.16Å; Y220-Q332 HydrophobicContact CG-CG 3.86Å; Y220-E333 HydrophobicContact CE2-CG 4.03Å
221N94.5Very high96.8Very high75 Ų7534.4 Ų34.440%0.40121%0.208SC..Hα-helixtrans-63.3-25.6-178.7-71.2-25000113.6A217 S218 G223A217-N221 WeakPolarHBondContact O-CB 3.17Å; A217-N221 PolarHBondContact O-N 2.96Å; A217-N221 PolarHBondContact O-ND2 2.79Å; S218-N221 PolarHBondContact O-N 3.09Å; N221-G223 PolarHBondContact O-N 2.84Å
222S95.7Very high97Very high48 Ų4835.9 Ų35.934%0.33622%0.223SC..THydrogen-bonded Turntrans-70.2-16.1176.575.80000114.1S218 F219 Y220 L224S218-S222 WeakPolarHBondContact O-CB 3.42Å; S218-S222 PolarHBondContact O-N 2.68Å; F219-S222 PolarHBondContact O-OG 3.18Å; Y220-S222 PolarHBondContact O-N 2.97Å; S222-L224 PolarHBondContact O-N 3.03Å; S222-L224 WeakPolarHBondContact OG-CB 3.28Å; S222-L224 WeakPolarHBondContact OG-CG 3.49Å; S222-L224 PolarHBondContact OG-N 3.11Å
223G96.6Very high97.2Very high28 Ų2833.5 Ų33.529%0.28921%0.212SC..SBendtrans74.1-6.5-172.500000114.4Y220 N221 L225 D226 T227Y220-G223 PolarHBondContact O-N 2.9Å; Y220-G223 VanDerWaalsContact O-N 3.08Å; N221-G223 PolarHBondContact O-N 2.84Å; G223-L225 VanDerWaalsContact C-N 3.28Å; G223-L225 PolarHBondContact O-N 3.45Å; G223-D226 PolarHBondContact O-N 3.18Å; G223-T227 PolarHBondContact O-N 3.1Å; G223-T227 PolarHBondContact O-OG1 2.87Å
224L97.9Very high97.3Very high21 Ų2135.9 Ų35.911%0.1122%0.223CC..Hα-helixtrans-64.9-34176.8-67.8176.3000111.8V149 Y175 F177 F219 S222 D226 T227 F228V149-L224 HydrophobicContact CG1-CD1 4.11Å; Y175-L224 HydrophobicContact CD1-CD2 3.77Å; Y175-L224 HydrophobicContact CE1-CD2 4.45Å; Y175-L224 HydrophobicContact CG-CD2 4.35Å; F177-L224 HydrophobicContact CB-CD1 4.11Å; F177-L224 HydrophobicContact CD1-CD1 3.96Å; F177-L224 HydrophobicContact CG-CD1 4.39Å; F219-L224 HydrophobicContact CD2-CB 4.03Å; F219-L224 HydrophobicContact CD2-CD1 4.49Å; F219-L224 HydrophobicContact CE2-CB 3.57Å; F219-L224 HydrophobicContact CE2-CD1 4.23Å; F219-L224 HydrophobicContact CZ-CB 4.29Å; S222-L224 PolarHBondContact O-N 3.03Å; S222-L224 WeakPolarHBondContact OG-CB 3.28Å; S222-L224 WeakPolarHBondContact OG-CG 3.49Å; S222-L224 PolarHBondContact OG-N 3.11Å; L224-D226 PolarHBondContact O-N 2.96Å; L224-T227 PolarHBondContact O-N 3.09Å; L224-F228 HydrophobicContact CB-CD2 4.17Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.11Å; L224-F228 WeakPolarHBondContact O-CG 3.46Å; L224-F228 PolarHBondContact O-N 3.12Å
225L97.8Very high97.3Very high0 Ų035.5 Ų35.50%022%0.221CC..Hα-helixtrans-55.2-52.4175.4-176.574.8000111.2F219 Y220 G223 T227 F228 I229 L325 V328 K329F219-L225 HydrophobicContact CD1-CB 4.04Å; F219-L225 HydrophobicContact CD1-CD1 3.76Å; F219-L225 HydrophobicContact CD1-CG 4.5Å; F219-L225 HydrophobicContact CE1-CB 4.12Å; F219-L225 HydrophobicContact CE1-CD1 3.64Å; Y220-L225 HydrophobicContact CD2-CD2 3.67Å; G223-L225 VanDerWaalsContact C-N 3.28Å; G223-L225 PolarHBondContact O-N 3.45Å; L225-T227 VanDerWaalsContact C-N 3.34Å; L225-F228 PolarHBondContact O-N 3.34Å; L225-I229 HydrophobicContact CD1-CD1 4.31Å; L225-I229 HydrophobicContact CG-CD1 4.02Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.35Å; L225-L325 HydrophobicContact CD1-CB 4.38Å; L225-L325 HydrophobicContact CD1-CD2 3.39Å; L225-V328 HydrophobicContact CD1-CB 4.33Å; L225-V328 HydrophobicContact CD1-CG1 4.09Å; L225-V328 HydrophobicContact CD2-CG1 4.22Å; L225-K329 HydrophobicContact CD2-CB 3.81Å; L225-K329 HydrophobicContact CD2-CG 4.32Å
226D97.7Very high97.4Very high64 Ų6435.5 Ų35.534%0.34222%0.221SC..Hα-helixtrans-67.1-36.6179.5-71.7-42.1000112.3G223 L224 I229 G230 K329G223-D226 PolarHBondContact O-N 3.18Å; L224-D226 PolarHBondContact O-N 2.96Å; D226-I229 PolarHBondContact O-N 3.38Å; D226-G230 PolarHBondContact O-N 2.87Å; D226-K329 WeakPolarHBondContact OD1-CE 3.42Å; D226-K329 IonicContact OD1-NZ 2.67Å; D226-K329 PolarHBondContact OD1-NZ 3.1Å
227T98.3Very high97.4Very high65 Ų6535.2 Ų35.240%0.39922%0.22SC..Hα-helixtrans-59.9-52.1176.7-57.20000110.4G223 L224 L225 I229 G230 E231G223-T227 PolarHBondContact O-N 3.1Å; G223-T227 PolarHBondContact O-OG1 2.87Å; L224-T227 PolarHBondContact O-N 3.09Å; L225-T227 VanDerWaalsContact C-N 3.34Å; T227-I229 PolarHBondContact O-N 3.01Å; T227-G230 PolarHBondContact O-N 3.3Å; T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.46Å
228F98.4Very high97.5Very high0 Ų034.1 Ų34.10%021%0.211CC..Hα-helixtrans-69-35.9-178.7-68.9-50.5000112.7V98 P147 V149 Y175 F219 L224 L225 G230 E231 G232 K233 L325V98-F228 HydrophobicContact CG1-CD2 4.25Å; V98-F228 HydrophobicContact CG1-CE2 4.08Å; V98-F228 HydrophobicContact CG1-CZ 4.32Å; V98-F228 HydrophobicContact CG2-CB 4.06Å; V98-F228 HydrophobicContact CG2-CD1 3.9Å; V98-F228 HydrophobicContact CG2-CD2 4.17Å; V98-F228 HydrophobicContact CG2-CE1 4.4Å; V98-F228 HydrophobicContact CG2-CG 3.78Å; P147-F228 HydrophobicContact CB-CE1 3.89Å; P147-F228 HydrophobicContact CB-CZ 4.21Å; P147-F228 HydrophobicContact CG-CD1 4.25Å; P147-F228 HydrophobicContact CG-CE1 3.72Å; P147-F228 HydrophobicContact CG-CZ 4.29Å; V149-F228 HydrophobicContact CG2-CE2 3.62Å; V149-F228 HydrophobicContact CG2-CZ 3.75Å; Y175-F228 HydrophobicContact CD1-CZ 4.44Å; Y175-F228 HydrophobicContact CD2-CE1 4.28Å; Y175-F228 AromaticContact CD2-CZ 3.76Å; Y175-F228 HydrophobicContact CD2-CZ 3.76Å; Y175-F228 AromaticContact CE2-CE1 3.98Å; Y175-F228 HydrophobicContact CE2-CE1 3.98Å; Y175-F228 AromaticContact CE2-CZ 3.94Å; Y175-F228 HydrophobicContact CE2-CZ 3.94Å; Y175-F228 HydrophobicContact CG-CZ 4.03Å; F219-F228 HydrophobicContact CE2-CD2 4.25Å; F219-F228 HydrophobicContact CE2-CE2 4.16Å; F219-F228 AromaticContact CZ-CD2 3.77Å; F219-F228 HydrophobicContact CZ-CD2 3.77Å; F219-F228 HydrophobicContact CZ-CE2 4.1Å; L224-F228 HydrophobicContact CB-CD2 4.17Å; L224-F228 HydrophobicContact CB-CE2 3.91Å; L224-F228 HydrophobicContact CD2-CE2 4.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.11Å; L224-F228 WeakPolarHBondContact O-CG 3.46Å; L224-F228 PolarHBondContact O-N 3.12Å; L225-F228 PolarHBondContact O-N 3.34Å; F228-G230 VanDerWaalsContact C-N 3.32Å; F228-E231 PolarHBondContact O-N 3.36Å; F228-G232 PolarHBondContact O-N 3.4Å; F228-K233 HydrophobicContact CB-CB 3.97Å; F228-K233 HydrophobicContact CB-CG 3.83Å; F228-K233 HydrophobicContact CD1-CG 4.09Å; F228-K233 HydrophobicContact CG-CG 4.34Å; F228-K233 WeakPolarHBondContact O-CA 3Å; F228-K233 WeakPolarHBondContact O-CB 3.39Å; F228-K233 VanDerWaalsContact O-CG 3.24Å; F228-K233 WeakPolarHBondContact O-CG 3.4Å; F228-K233 PolarHBondContact O-N 3.28Å; F228-L325 HydrophobicContact CB-CD1 4.29Å
229I98Very high97.6Very high58 Ų5833.9 Ų33.930%0.29721%0.209SC..Hα-helixtrans-61.5-43.4171.6-69.5170.4000110.2L225 D226 T227 E231 G232 L325 K329L225-I229 HydrophobicContact CD1-CD1 4.31Å; L225-I229 HydrophobicContact CG-CD1 4.02Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.35Å; D226-I229 PolarHBondContact O-N 3.38Å; T227-I229 PolarHBondContact O-N 3.01Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.24Å; I229-G232 PolarHBondContact O-N 3.2Å; I229-L325 HydrophobicContact CD1-CB 4.1Å; I229-L325 HydrophobicContact CG1-CB 3.75Å; I229-L325 HydrophobicContact CG1-CD1 4.48Å; I229-K329 HydrophobicContact CD1-CB 4.16Å; I229-K329 HydrophobicContact CD1-CD 4Å
230G97.9Very high97.6Very high70 Ų7035.2 Ų35.272%0.72222%0.217SC*.Hα-helixtrans-64.6-32.3176.500000113.9D226 T227 F228 G232D226-G230 PolarHBondContact O-N 2.87Å; T227-G230 PolarHBondContact O-N 3.3Å; F228-G230 VanDerWaalsContact C-N 3.32Å; G230-G232 PolarHBondContact O-N 2.88Å
231E97.1Very high97.6Very high93 Ų9332.2 Ų32.244%0.43521%0.205SC..THydrogen-bonded Turntrans-75-0.6172.1-71.7-178.2179.400113.7T227 F228 I229 K233T227-E231 WeakPolarHBondContact O-CG 3.43Å; T227-E231 PolarHBondContact O-N 3.46Å; F228-E231 PolarHBondContact O-N 3.36Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.24Å; E231-K233 HydrophobicContact CB-CG 4.37Å
232G97.4Very high97.6Very high42 Ų4229.2 Ų29.243%0.43319%0.189SC..THydrogen-bonded Turntrans81.418.3-179.700000114.4F228 I229 G230F228-G232 PolarHBondContact O-N 3.4Å; I229-G232 PolarHBondContact O-N 3.2Å; G230-G232 PolarHBondContact O-N 2.88Å
233K97.9Very high97.7Very high19 Ų1927.1 Ų27.18%0.08317%0.174CC..  trans-74.8141.8170.8-48.5-61-176.6174.40109.9N95 V98 D145 F228 E231 L325N95-K233 WeakPolarHBondContact O-CD 3.34Å; N95-K233 WeakPolarHBondContact O-CE 3.46Å; N95-K233 PolarHBondContact O-NZ 2.79Å; V98-K233 HydrophobicContact CG2-CB 3.75Å; V98-K233 HydrophobicContact CG2-CD 4.08Å; V98-K233 HydrophobicContact CG2-CG 3.6Å; D145-K233 PolarHBondContact O-NZ 2.52Å; D145-K233 VanDerWaalsContact O-NZ 3.11Å; F228-K233 HydrophobicContact CB-CB 3.97Å; F228-K233 HydrophobicContact CB-CG 3.83Å; F228-K233 HydrophobicContact CD1-CG 4.09Å; F228-K233 HydrophobicContact CG-CG 4.34Å; F228-K233 WeakPolarHBondContact O-CA 3Å; F228-K233 WeakPolarHBondContact O-CB 3.39Å; F228-K233 VanDerWaalsContact O-CG 3.24Å; F228-K233 WeakPolarHBondContact O-CG 3.4Å; F228-K233 PolarHBondContact O-N 3.28Å; E231-K233 HydrophobicContact CB-CG 4.37Å; K233-L325 HydrophobicContact CB-CD1 3.63Å; K233-L325 WeakPolarHBondContact O-CD1 3.42Å
234E97.8Very high97.6Very high50 Ų5026.1 Ų26.123%0.23416%0.162CC..  trans-116.7-32.6-174.3-72.1-159.8-135.900113.6K96 M257 R264 L325K96-E234 HydrophobicContact CB-CB 4.25Å; K96-E234 HydrophobicContact CB-CG 4.35Å; K96-E234 HydrophobicContact CD-CG 4.24Å; K96-E234 VanDerWaalsContact CD-OE1 3.32Å; K96-E234 WeakPolarHBondContact CD-OE1 3.37Å; K96-E234 VanDerWaalsContact CE-OE1 3.28Å; K96-E234 WeakPolarHBondContact CE-OE1 3.37Å; K96-E234 HydrophobicContact CG-CG 4.45Å; K96-E234 IonicContact NZ-OE1 2.7Å; K96-E234 PolarHBondContact NZ-OE1 3.18Å; K96-E234 PolarHBondContact O-N 2.87Å; E234-M257 HydrophobicContact CB-CE 4.24Å; E234-M257 HydrophobicContact CB-SD 4.41Å; E234-R264 IonicContact OE2-CZ 3.97Å; E234-R264 IonicContact OE2-NH1 3.15Å; E234-R264 PolarHBondContact OE2-NH1 3.18Å; E234-R264 IonicContact OE2-NH2 2.72Å; E234-R264 PolarHBondContact OE2-NH2 3.37Å; E234-L325 PolarHBondContact O-N 2.99Å
235Y98.4Very high97.5Very high1 Ų125.3 Ų25.30%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-132.8147.2-176.7-77.3-89.9000112.2K96 V98 L256 M257 R264 C265 I323K96-Y235 PolarHBondContact O-N 3.24Å; V98-Y235 PolarHBondContact N-O 3.48Å; Y235-L256 HydrophobicContact CD1-CD2 3.66Å; Y235-L256 HydrophobicContact CE1-CD2 3.51Å; Y235-L256 HydrophobicContact CG-CD2 4.38Å; Y235-M257 HydrophobicContact CD2-CE 3.47Å; Y235-M257 VanDerWaalsContact CD2-CE 3.47Å; Y235-M257 HydrophobicContact CD2-SD 3.74Å; Y235-M257 HydrophobicContact CE2-CE 4.33Å; Y235-M257 HydrophobicContact CE2-SD 4.02Å; Y235-M257 HydrophobicContact CG-CE 4.19Å; Y235-R264 VanDerWaalsContact CE2-NH2 3.3Å; Y235-R264 WeakPolarHBondContact OH-CG 3.48Å; Y235-R264 PolarHBondContact OH-NE 3Å; Y235-R264 VanDerWaalsContact OH-NE 3.09Å; Y235-C265 WeakPolarHBondContact CE1-O 3.31Å; Y235-C265 PolarHBondContact OH-O 3.38Å; Y235-I323 CarbonylContact C-O 3.57Å; Y235-I323 WeakPolarHBondContact CA-O 3.27Å
236I98.5Very high97.5Very high3 Ų325.4 Ų25.42%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-105.3138.6164.655.3170.4000110.1V98 V100 F219 V238 W322 I323 L325V98-I236 HydrophobicContact CB-CG2 3.89Å; V98-I236 HydrophobicContact CG1-CG2 4.16Å; V98-I236 CarbonylContact O-C 3.58Å; V98-I236 VanDerWaalsContact O-CA 3.3Å; V98-I236 WeakPolarHBondContact O-CA 3.5Å; V100-I236 HydrophobicContact CG2-CB 3.96Å; V100-I236 HydrophobicContact CG2-CG2 3.95Å; F219-I236 HydrophobicContact CE1-CG2 4.2Å; F219-I236 HydrophobicContact CZ-CG2 4.37Å; I236-V238 HydrophobicContact CD1-CG2 3.75Å; I236-V238 HydrophobicContact CG1-CG2 4.15Å; I236-W322 CarbonylContact O-C 3.6Å; I236-W322 WeakPolarHBondContact O-CA 3.27Å; I236-I323 HydrophobicContact CD1-CB 4.18Å; I236-I323 HydrophobicContact CD1-CD1 4.32Å; I236-I323 HydrophobicContact CG1-CB 3.81Å; I236-I323 WeakPolarHBondContact CG1-O 3.32Å; I236-I323 PolarHBondContact N-O 2.99Å; I236-I323 PolarHBondContact O-N 2.77Å; I236-L325 HydrophobicContact CG2-CD1 4.41Å; I236-L325 HydrophobicContact CG2-CD2 3.54Å; I236-L325 HydrophobicContact CG2-CG 3.98Å
237F98.8Very high97.5Very high0 Ų024.2 Ų24.20%016%0.155CC..EExtended strand (participates in β ladder)trans-104.3105.9167.6171.3-125.2000109.5L97 V98 V99 V100 A246 V248 N320 L321 W322L97-F237 HydrophobicContact CD1-CB 4.02Å; V98-F237 PolarHBondContact O-N 3.45Å; V99-F237 HydrophobicContact CG1-CD1 4.21Å; V100-F237 PolarHBondContact N-O 3.34Å; V100-F237 VanDerWaalsContact O-O 3.11Å; F237-A246 HydrophobicContact CZ-CB 4.15Å; F237-V248 HydrophobicContact CD1-CG2 4.24Å; F237-N320 HydrophobicContact CE2-CB 4.02Å; F237-N320 HydrophobicContact CZ-CB 4.45Å; F237-L321 CarbonylContact C-O 3.53Å; F237-L321 WeakPolarHBondContact CA-O 3.1Å; F237-W322 HydrophobicContact CB-CD2 4.32Å; F237-W322 HydrophobicContact CB-CE3 3.93Å; F237-W322 HydrophobicContact CB-CH2 4.43Å; F237-W322 HydrophobicContact CB-CZ3 3.99Å; F237-W322 AromaticContact CD2-CD2 3.7Å; F237-W322 HydrophobicContact CD2-CD2 3.7Å; F237-W322 AromaticContact CD2-CE2 3.42Å; F237-W322 VanDerWaalsContact CD2-CE2 3.42Å; F237-W322 HydrophobicContact CD2-CE3 4.12Å; F237-W322 HydrophobicContact CD2-CG 4.2Å; F237-W322 HydrophobicContact CD2-CH2 4.11Å; F237-W322 AromaticContact CD2-CZ2 3.66Å; F237-W322 HydrophobicContact CD2-CZ2 3.66Å; F237-W322 HydrophobicContact CD2-CZ3 4.31Å; F237-W322 AromaticContact CD2-NE1 3.73Å; F237-W322 HydrophobicContact CE2-CD2 4.45Å; F237-W322 AromaticContact CE2-CE2 3.74Å; F237-W322 AromaticContact CE2-CZ2 3.82Å; F237-W322 HydrophobicContact CE2-CZ2 3.82Å; F237-W322 AromaticContact CE2-NE1 3.76Å; F237-W322 HydrophobicContact CG-CD2 4.34Å; F237-W322 HydrophobicContact CG-CE3 4.31Å; F237-W322 HydrophobicContact CG-CH2 4.17Å; F237-W322 HydrophobicContact CG-CZ2 4.18Å; F237-W322 HydrophobicContact CG-CZ3 4.22Å; F237-W322 HydrophobicContact CZ-CZ2 4.46Å
238V98.8Very high97.4Very high0 Ų022.3 Ų22.30%014%0.143CC..EExtended strand (participates in β ladder)trans-96.2128.5-178.6-173.50000109.8V100 L102 I215 I236 N320 L321 I323V100-V238 HydrophobicContact CB-CG2 4.2Å; V100-V238 WeakPolarHBondContact O-CA 3.36Å; L102-V238 HydrophobicContact CD1-CG1 4.19Å; L102-V238 HydrophobicContact CD2-CG1 3.93Å; L102-V238 HydrophobicContact CG-CG1 3.97Å; I215-V238 HydrophobicContact CD1-CG1 3.85Å; I215-V238 HydrophobicContact CD1-CG2 3.8Å; I236-V238 HydrophobicContact CD1-CG2 3.75Å; I236-V238 HydrophobicContact CG1-CG2 4.15Å; V238-N320 CarbonylContact O-C 3.37Å; V238-N320 WeakPolarHBondContact O-CA 3.49Å; V238-L321 HydrophobicContact CB-CB 4.28Å; V238-L321 PolarHBondContact N-O 2.94Å; V238-L321 PolarHBondContact O-N 2.68Å; V238-I323 HydrophobicContact CG2-CD1 4.1Å
239S98.4Very high97.4Very high0 Ų023 Ų230%015%0.147CC..EExtended strand (participates in β ladder)trans-152163.3171490000112V100 K101 L102 A246V100-S239 PolarHBondContact O-N 2.93Å; K101-S239 WeakPolarHBondContact CA-O 3.38Å; K101-S239 WeakPolarHBondContact CD-OG 3.07Å; K101-S239 WeakPolarHBondContact CE-OG 3.45Å; K101-S239 PolarHBondContact NZ-OG 3.5Å; L102-S239 PolarHBondContact N-O 3.04Å; S239-A246 VanDerWaalsContact CB-CB 3.47Å
240N97.7Very high97.3Very high31 Ų3121.2 Ų21.217%0.16614%0.138CC..EExtended strand (participates in β ladder)trans-70141.5173.8-61.3-13.8000110.6L102 D242 N243 N319L102-N240 WeakPolarHBondContact CD1-OD1 3.34Å; N240-D242 VanDerWaalsContact CB-OD1 3.29Å; N240-D242 WeakPolarHBondContact CB-OD1 3.21Å; N240-D242 PolarHBondContact O-N 3.3Å; N240-N243 HydrophobicContact CB-CB 4.32Å; N240-N243 PolarHBondContact O-N 3.08Å; N240-N319 PolarHBondContact OD1-ND2 3.24Å
241I95.7Very high97.3Very high8 Ų820.8 Ų20.84%0.04112%0.115CC..THydrogen-bonded Turntrans-65.1-26.3174.6-165.460.1000112.5K101 L102 F127 T131 N243K101-I241 HydrophobicContact CB-CB 4.35Å; K101-I241 HydrophobicContact CB-CD1 3.97Å; K101-I241 HydrophobicContact CD-CD1 4.28Å; K101-I241 HydrophobicContact CG-CD1 3.91Å; L102-I241 WeakPolarHBondContact O-CG2 3.25Å; L102-I241 PolarHBondContact O-N 3.21Å; F127-I241 HydrophobicContact CB-CG1 4.04Å; F127-I241 WeakPolarHBondContact CD1-O 3.42Å; T131-I241 HydrophobicContact CG2-CD1 4.4Å; T131-I241 VanDerWaalsContact OG1-CD1 3.28Å; T131-I241 WeakPolarHBondContact OG1-CD1 3.47Å; I241-N243 VanDerWaalsContact C-N 3.34Å
242D95.4Very high97.3Very high12 Ų1216.3 Ų16.36%0.0649%0.094CC..THydrogen-bonded Turntrans-86.81.7178.168.87.6000114.3K116 F127 N240 P383 V384 K385K116-D242 HydrophobicContact CD-CB 4.08Å; K116-D242 WeakPolarHBondContact CE-OD2 3.22Å; K116-D242 IonicContact NZ-OD2 3.87Å; K116-D242 PolarHBondContact NZ-OD2 2.94Å; F127-D242 HydrophobicContact CE1-CB 4.26Å; F127-D242 HydrophobicContact CZ-CB 4.46Å; N240-D242 VanDerWaalsContact CB-OD1 3.29Å; N240-D242 WeakPolarHBondContact CB-OD1 3.21Å; N240-D242 PolarHBondContact O-N 3.3Å; D242-P383 CarbonylContact O-C 3.54Å; D242-P383 WeakPolarHBondContact O-CA 3.38Å; D242-V384 PolarHBondContact O-N 2.93Å; D242-K385 IonicContact OD1-NZ 3.51Å; D242-K385 PolarHBondContact OD1-NZ 2.82Å; D242-K385 WeakPolarHBondContact OD2-CD 3.32Å; D242-K385 IonicContact OD2-NZ 4Å; D242-K385 PolarHBondContact OD2-NZ 3.26Å
243N97Very high97.2Very high4 Ų414.3 Ų14.32%0.0217%0.073CC..BIsolated β-bridgetrans-94.8100.2169.3-176.87000110N240 I241 G245 A246 N320 R380 L382N240-N243 HydrophobicContact CB-CB 4.32Å; N240-N243 PolarHBondContact O-N 3.08Å; I241-N243 VanDerWaalsContact C-N 3.34Å; N243-G245 PolarHBondContact O-N 3.07Å; N243-G245 PolarHBondContact OD1-N 3.25Å; N243-G245 VanDerWaalsContact OD1-N 3.1Å; N243-A246 HydrophobicContact CB-CB 4.11Å; N243-A246 WeakPolarHBondContact O-CB 3.41Å; N243-A246 PolarHBondContact O-N 3.01Å; N243-N320 PolarHBondContact ND2-OD1 3.06Å; N243-R380 PolarHBondContact ND2-O 3.16Å; N243-R380 VanDerWaalsContact ND2-O 3.13Å; N243-L382 PolarHBondContact OD1-N 2.91Å; N243-L382 PolarHBondContact OD1-O 3.33Å
244L95.5Very high97Very high7 Ų714.1 Ų14.14%0.0377%0.073CC..THydrogen-bonded Turntrans-73.2-18.2-178.5-64.8172.7000113.1V121 F127 L130 A246 L382 V384 V393 L405V121-L244 HydrophobicContact CG1-CD1 3.65Å; F127-L244 HydrophobicContact CD1-CD1 4.47Å; F127-L244 HydrophobicContact CD1-CD2 3.55Å; F127-L244 HydrophobicContact CD1-CG 4.04Å; F127-L244 HydrophobicContact CE1-CD1 4.05Å; F127-L244 HydrophobicContact CE1-CD2 3.96Å; F127-L244 HydrophobicContact CE1-CG 3.94Å; L130-L244 HydrophobicContact CD1-CD2 3.68Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-L382 HydrophobicContact CB-CD2 4.3Å; L244-L382 PolarHBondContact N-O 3.2Å; L244-V384 HydrophobicContact CD1-CG2 3.69Å; L244-V384 HydrophobicContact CG-CG2 4.3Å; L244-V393 HydrophobicContact CD1-CB 4.26Å; L244-V393 HydrophobicContact CD1-CG1 4.15Å; L244-V393 HydrophobicContact CD1-CG2 4.23Å; L244-L405 HydrophobicContact CB-CD1 4.1Å; L244-L405 HydrophobicContact CD1-CD1 3.5Å; L244-L405 VanDerWaalsContact CD1-CD1 3.5Å; L244-L405 HydrophobicContact CG-CD1 4.32Å
245G95.6Very high96.8Very high5 Ų512.3 Ų12.35%0.0527%0.065CC..THydrogen-bonded Turntrans-79.6-13.6175.100000113.5N243 T247 S379 R380N243-G245 PolarHBondContact O-N 3.07Å; N243-G245 PolarHBondContact OD1-N 3.25Å; N243-G245 VanDerWaalsContact OD1-N 3.1Å; G245-T247 PolarHBondContact O-N 3.21Å; G245-S379 WeakPolarHBondContact CA-O 3.36Å; G245-R380 CarbonylContact C-O 3.56Å; G245-R380 VanDerWaalsContact O-CA 3.31Å; G245-R380 WeakPolarHBondContact O-CA 3.36Å
246A97.3Very high96.6Very high1 Ų112.5 Ų12.51%0.0087%0.065CC..  trans-8065.3-17700000112.7K101 F237 S239 N243 L244 N320K101-A246 PolarHBondContact NZ-O 2.83Å; F237-A246 HydrophobicContact CZ-CB 4.15Å; S239-A246 VanDerWaalsContact CB-CB 3.47Å; N243-A246 HydrophobicContact CB-CB 4.11Å; N243-A246 WeakPolarHBondContact O-CB 3.41Å; N243-A246 PolarHBondContact O-N 3.01Å; L244-A246 VanDerWaalsContact C-N 3.32Å; A246-N320 VanDerWaalsContact CB-OD1 3.31Å; A246-N320 WeakPolarHBondContact CB-OD1 3.48Å
247T97.1Very high96.3Very high39 Ų3913.6 Ų13.624%0.2397%0.071CC..  trans-85.4160.5172.862.70000111G245 D249 R380G245-T247 PolarHBondContact O-N 3.21Å; T247-D249 PolarHBondContact O-N 2.85Å; T247-R380 VanDerWaalsContact O-CZ 3.28Å; T247-R380 PolarHBondContact O-NH1 3.27Å; T247-R380 PolarHBondContact O-NH2 2.98Å; T247-R380 PolarHBondContact OG1-NH1 2.91Å
248V97.8Very high95.8Very high25 Ų2517.3 Ų17.315%0.1529%0.091CC..  trans-68.3113.8172.7176.90000109.3L94 L97 V99 L138 F237 W322L94-V248 HydrophobicContact CD2-CG1 4.06Å; L97-V248 HydrophobicContact CD2-CG1 3.53Å; L97-V248 HydrophobicContact CD2-CG2 4.15Å; V99-V248 HydrophobicContact CG2-CG2 3.57Å; L138-V248 HydrophobicContact CD1-CB 3.98Å; L138-V248 HydrophobicContact CD1-CG1 4.18Å; L138-V248 HydrophobicContact CD1-CG2 4.38Å; F237-V248 HydrophobicContact CD1-CG2 4.24Å; V248-W322 HydrophobicContact CG1-CH2 4.39Å
249D97.7Very high95.3Very high14 Ų1418.9 Ų18.98%0.07510%0.101CC..  trans-92.3116.2178.2-166.7-62.8000111.1Y78 T247 Y251 I252 L253 W322 R380Y78-D249 WeakPolarHBondContact CE2-OD2 3.06Å; Y78-D249 VanDerWaalsContact CZ-OD2 3.29Å; Y78-D249 PolarHBondContact OH-OD2 2.83Å; T247-D249 PolarHBondContact O-N 2.85Å; D249-Y251 VanDerWaalsContact C-N 3.32Å; D249-Y251 PolarHBondContact O-N 3.19Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.36Å; D249-Y251 VanDerWaalsContact OD1-CB 3.3Å; D249-Y251 WeakPolarHBondContact OD1-CB 3.27Å; D249-Y251 WeakPolarHBondContact OD1-CD2 3.25Å; D249-Y251 PolarHBondContact OD1-N 2.99Å; D249-I252 HydrophobicContact CB-CB 4.09Å; D249-I252 HydrophobicContact CB-CD1 3.9Å; D249-I252 HydrophobicContact CB-CG1 4Å; D249-I252 PolarHBondContact OD1-N 2.92Å; D249-L253 WeakPolarHBondContact O-CB 3.33Å; D249-L253 PolarHBondContact O-N 3.43Å; D249-W322 HydrophobicContact CB-CZ2 4.32Å; D249-R380 IonicContact OD2-NH1 2.64Å
250L96.6Very high94.3Very high21 Ų2122.9 Ų22.911%0.1113%0.127CC..Hα-helixtrans-70.4-26.7-177.6-61-178.3000113.2L86 I90 L94 Y142 L253 N254L86-L250 HydrophobicContact CD2-CB 3.73Å; L86-L250 HydrophobicContact CD2-CD1 4.19Å; I90-L250 HydrophobicContact CD1-CD1 4.28Å; I90-L250 HydrophobicContact CG2-CD1 3.94Å; I90-L250 HydrophobicContact CG2-CD2 4.04Å; L94-L250 HydrophobicContact CD1-CD2 4.31Å; L94-L250 HydrophobicContact CD2-CD2 3.74Å; L94-L250 HydrophobicContact CG-CD2 4.13Å; Y142-L250 HydrophobicContact CE2-CD1 4.2Å; L250-L253 HydrophobicContact CD2-CD2 4.49Å; L250-N254 VanDerWaalsContact O-CB 3.27Å; L250-N254 WeakPolarHBondContact O-CB 3.48Å; L250-N254 PolarHBondContact O-N 2.64Å
251Y96.6Very high93.5Very high61 Ų6127.9 Ų27.924%0.23915%0.154CC..Hα-helixtrans-74.2-43.3178.1-55.5-81.4000110.5Y78 I81 K82 L86 D249 N254 H255Y78-Y251 WeakPolarHBondContact OH-CD2 3.5Å; I81-Y251 WeakPolarHBondContact CG2-O 3.42Å; K82-Y251 HydrophobicContact CB-CD1 4.4Å; K82-Y251 HydrophobicContact CB-CG 4.41Å; K82-Y251 HydrophobicContact CG-CD1 4.05Å; K82-Y251 HydrophobicContact CG-CD2 4.33Å; K82-Y251 HydrophobicContact CG-CE1 3.94Å; K82-Y251 HydrophobicContact CG-CE2 4.25Å; K82-Y251 HydrophobicContact CG-CG 4.23Å; L86-Y251 HydrophobicContact CD2-CD1 4.04Å; L86-Y251 HydrophobicContact CD2-CE1 3.64Å; L86-Y251 HydrophobicContact CD2-CE2 4.21Å; L86-Y251 HydrophobicContact CD2-CG 4.49Å; L86-Y251 HydrophobicContact CG-CD1 4.45Å; L86-Y251 HydrophobicContact CG-CE1 3.76Å; D249-Y251 VanDerWaalsContact C-N 3.32Å; D249-Y251 PolarHBondContact O-N 3.19Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.36Å; D249-Y251 VanDerWaalsContact OD1-CB 3.3Å; D249-Y251 WeakPolarHBondContact OD1-CB 3.27Å; D249-Y251 WeakPolarHBondContact OD1-CD2 3.25Å; D249-Y251 PolarHBondContact OD1-N 2.99Å; Y251-N254 PolarHBondContact O-N 3.42Å; Y251-H255 PolarHBondContact O-N 3.2Å
252I96.7Very high92.8Very high0 Ų030.6 Ų30.60%018%0.184CC..Hα-helixtrans-62-49.3173-61.6176.9000109.1Y78 D249 N254 H255 L256 E270 W322 I374 V376Y78-I252 HydrophobicContact CD2-CD1 4.25Å; Y78-I252 HydrophobicContact CD2-CG1 4.17Å; Y78-I252 HydrophobicContact CE2-CD1 4.16Å; Y78-I252 HydrophobicContact CE2-CG1 3.97Å; D249-I252 HydrophobicContact CB-CB 4.09Å; D249-I252 HydrophobicContact CB-CD1 3.9Å; D249-I252 HydrophobicContact CB-CG1 4Å; D249-I252 PolarHBondContact OD1-N 2.92Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.66Å; I252-H255 WeakPolarHBondContact O-CA 3.44Å; I252-H255 WeakPolarHBondContact O-CB 3.36Å; I252-H255 PolarHBondContact O-N 2.92Å; I252-L256 HydrophobicContact CG2-CD1 3.42Å; I252-L256 VanDerWaalsContact CG2-CD1 3.42Å; I252-L256 WeakPolarHBondContact O-CD1 3.44Å; I252-L256 PolarHBondContact O-N 2.77Å; I252-E270 HydrophobicContact CD1-CG 4.15Å; I252-W322 HydrophobicContact CB-CZ2 4.1Å; I252-W322 HydrophobicContact CG2-CD2 4.01Å; I252-W322 HydrophobicContact CG2-CG 4.31Å; I252-W322 HydrophobicContact CG2-CZ2 3.88Å; I252-I374 HydrophobicContact CG1-CD1 4.33Å; I252-I374 HydrophobicContact CG2-CD1 3.88Å; I252-V376 HydrophobicContact CD1-CG1 3.97Å
253L95.9Very high92.2Very high0 Ų036.8 Ų36.80%021%0.21CC..Hα-helixtrans-56.5-43177.8-177.662000112.6V93 L94 L97 D249 L250 H255 L256 M257 W322V93-L253 HydrophobicContact CB-CD2 4.13Å; V93-L253 HydrophobicContact CB-CG 4.22Å; V93-L253 HydrophobicContact CG2-CD2 3.84Å; V93-L253 HydrophobicContact CG2-CG 4.23Å; L94-L253 HydrophobicContact CD2-CD2 3.74Å; L94-L253 HydrophobicContact CG-CD2 4.28Å; L97-L253 HydrophobicContact CB-CD1 4.41Å; L97-L253 HydrophobicContact CD1-CD1 4.25Å; L97-L253 HydrophobicContact CD2-CD1 4.43Å; L97-L253 HydrophobicContact CD2-CD2 4.23Å; D249-L253 WeakPolarHBondContact O-CB 3.33Å; D249-L253 PolarHBondContact O-N 3.43Å; L250-L253 HydrophobicContact CD2-CD2 4.49Å; L253-H255 VanDerWaalsContact C-N 3.33Å; L253-H255 PolarHBondContact O-N 3.19Å; L253-L256 PolarHBondContact O-N 2.97Å; L253-M257 HydrophobicContact CD1-CE 3.7Å; L253-M257 HydrophobicContact CD1-CG 3.91Å; L253-M257 HydrophobicContact CG-CG 4.35Å; L253-M257 WeakPolarHBondContact O-CB 3.48Å; L253-M257 WeakPolarHBondContact O-CG 3.21Å; L253-M257 PolarHBondContact O-N 3.43Å; L253-W322 HydrophobicContact CB-CZ3 4.26Å; L253-W322 HydrophobicContact CD1-CZ3 4.25Å
254N94.7Very high92Very high14 Ų1441 Ų418%0.07523%0.225CC..Hα-helixtrans-61.4-41.9175.1-173.728.3000111.7G85 P87 L250 Y251 I252 L256 M257 N258G85-N254 PolarHBondContact O-ND2 3.33Å; G85-N254 VanDerWaalsContact O-ND2 3.13Å; P87-N254 HydrophobicContact CB-CB 4.11Å; P87-N254 HydrophobicContact CG-CB 4.09Å; L250-N254 VanDerWaalsContact O-CB 3.27Å; L250-N254 WeakPolarHBondContact O-CB 3.48Å; L250-N254 PolarHBondContact O-N 2.64Å; Y251-N254 PolarHBondContact O-N 3.42Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.66Å; N254-L256 VanDerWaalsContact C-N 3.33Å; N254-L256 PolarHBondContact O-N 3.12Å; N254-M257 PolarHBondContact O-N 2.97Å; N254-N258 WeakPolarHBondContact O-CA 3.46Å; N254-N258 WeakPolarHBondContact O-CB 3.42Å; N254-N258 PolarHBondContact O-N 2.85Å; N254-N258 PolarHBondContact OD1-ND2 3.29Å
255H93.6Very high91.9Very high13 Ų1341.5 Ų41.56%0.0623%0.23CC..Hα-helixtrans-62.1-39.7177.4-172.395000112.6Q76 I81 Y251 I252 L253Q76-H255 PolarHBondContact OE1-CE1 3Å; I81-H255 HydrophobicContact CG2-CB 3.84Å; Y251-H255 PolarHBondContact O-N 3.2Å; I252-H255 WeakPolarHBondContact O-CA 3.44Å; I252-H255 WeakPolarHBondContact O-CB 3.36Å; I252-H255 PolarHBondContact O-N 2.92Å; L253-H255 VanDerWaalsContact C-N 3.33Å; L253-H255 PolarHBondContact O-N 3.19Å
256L93.3Very high92Very high4 Ų442.4 Ų42.42%0.02123%0.233CC..Hα-helixtrans-72-43.8178.1-81.390.1000112.8Y235 I252 L253 N254 V268 W322Y235-L256 HydrophobicContact CD1-CD2 3.66Å; Y235-L256 HydrophobicContact CE1-CD2 3.51Å; Y235-L256 HydrophobicContact CG-CD2 4.38Å; I252-L256 HydrophobicContact CG2-CD1 3.42Å; I252-L256 VanDerWaalsContact CG2-CD1 3.42Å; I252-L256 WeakPolarHBondContact O-CD1 3.44Å; I252-L256 PolarHBondContact O-N 2.77Å; L253-L256 PolarHBondContact O-N 2.97Å; N254-L256 VanDerWaalsContact C-N 3.33Å; N254-L256 PolarHBondContact O-N 3.12Å; L256-V268 HydrophobicContact CD1-CG2 4.13Å; L256-V268 HydrophobicContact CD2-CB 4.37Å; L256-V268 HydrophobicContact CD2-CG2 3.75Å; L256-V268 HydrophobicContact CG-CG2 3.94Å; L256-W322 HydrophobicContact CD2-CB 3.57Å; L256-W322 HydrophobicContact CD2-CG 4.35Å
257M91.3Very high92Very high27 Ų2742.4 Ų42.413%0.13323%0.232CC..Hα-helixtrans-79.3-31.4-175.7-64.5-69-175.400112.6V93 K96 E234 Y235 L253 N254 P259V93-M257 HydrophobicContact CB-CG 4.23Å; V93-M257 HydrophobicContact CG1-CB 4.02Å; V93-M257 HydrophobicContact CG1-CG 4.26Å; K96-M257 HydrophobicContact CB-CE 3.6Å; K96-M257 HydrophobicContact CB-SD 4.25Å; K96-M257 HydrophobicContact CD-SD 4.23Å; E234-M257 HydrophobicContact CB-CE 4.24Å; E234-M257 HydrophobicContact CB-SD 4.41Å; Y235-M257 HydrophobicContact CD2-CE 3.47Å; Y235-M257 VanDerWaalsContact CD2-CE 3.47Å; Y235-M257 HydrophobicContact CD2-SD 3.74Å; Y235-M257 HydrophobicContact CE2-CE 4.33Å; Y235-M257 HydrophobicContact CE2-SD 4.02Å; Y235-M257 HydrophobicContact CG-CE 4.19Å; L253-M257 HydrophobicContact CD1-CE 3.7Å; L253-M257 HydrophobicContact CD1-CG 3.91Å; L253-M257 HydrophobicContact CG-CG 4.35Å; L253-M257 WeakPolarHBondContact O-CB 3.48Å; L253-M257 WeakPolarHBondContact O-CG 3.21Å; L253-M257 PolarHBondContact O-N 3.43Å; N254-M257 PolarHBondContact O-N 2.97Å; M257-P259 VanDerWaalsContact C-CD 3.42Å; M257-P259 WeakPolarHBondContact O-CD 3.4Å
258N89.8Confident92.1Very high77 Ų7740.5 Ų40.541%0.41222%0.221SC..SBendtrans-124.167.4-179-57-52.5000110.8R84 N254R84-N258 PolarHBondContact NH1-O 2.84Å; R84-N258 VanDerWaalsContact NH1-O 3.1Å; R84-N258 PolarHBondContact NH2-O 2.82Å; N254-N258 WeakPolarHBondContact O-CA 3.46Å; N254-N258 WeakPolarHBondContact O-CB 3.42Å; N254-N258 PolarHBondContact O-N 2.85Å; N254-N258 PolarHBondContact OD1-ND2 3.29Å
259P87.8Confident92.1Very high34 Ų3439.3 Ų39.322%0.22121%0.214CC..  trans-67.5139.6-179.428.4-34.4000110.7M257 N261 G262 K263M257-P259 VanDerWaalsContact C-CD 3.42Å; M257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-N261 VanDerWaalsContact C-N 3.27Å; P259-N261 PolarHBondContact O-N 3.45Å; P259-G262 PolarHBondContact O-N 3.08Å; P259-K263 WeakPolarHBondContact CB-O 3.3Å
260P76.9Confident92.2Very high83 Ų8338.7 Ų38.754%0.53921%0.21SC..THydrogen-bonded Turntrans-66.5-28.2-170.627.1-32.2000113.2
261N81.3Confident92.2Very high136 Ų13637.7 Ų37.773%0.72721%0.205SC*.THydrogen-bonded Turntrans-108.914.8-176.5-60.6-13.4000112.4P259 K263P259-N261 VanDerWaalsContact C-N 3.27Å; P259-N261 PolarHBondContact O-N 3.45Å; N261-K263 PolarHBondContact O-N 2.83Å
262G80.5Confident92.2Very high65 Ų6535 Ų3567%0.6720%0.195SC*.SBendtrans67-0.4-172.600000114.8P259 R264P259-G262 PolarHBondContact O-N 3.08Å; G262-R264 PolarHBondContact O-N 3.01Å
263K83.8Confident92Very high143 Ų14339.2 Ų39.262%0.62222%0.218SC*.  trans-78.8106.3177.6-69.5-168.8178.8-174.70110.3P259 N261P259-K263 WeakPolarHBondContact CB-O 3.3Å; N261-K263 PolarHBondContact O-N 2.83Å
264R91.5Very high91.7Very high91 Ų9140.2 Ų40.234%0.34322%0.222SC..  trans-73.9127.6174.5-172178.1-179.8148.24.6110.5E234 Y235 G262 N370E234-R264 IonicContact OE2-CZ 3.97Å; E234-R264 IonicContact OE2-NH1 3.15Å; E234-R264 PolarHBondContact OE2-NH1 3.18Å; E234-R264 IonicContact OE2-NH2 2.72Å; E234-R264 PolarHBondContact OE2-NH2 3.37Å; Y235-R264 VanDerWaalsContact CE2-NH2 3.3Å; Y235-R264 WeakPolarHBondContact OH-CG 3.48Å; Y235-R264 PolarHBondContact OH-NE 3Å; Y235-R264 VanDerWaalsContact OH-NE 3.09Å; G262-R264 PolarHBondContact O-N 3.01Å; R264-N370 WeakPolarHBondContact O-CB 3.21Å; R264-N370 PolarHBondContact O-ND2 3.5Å
265C94.8Very high91.2Very high19 Ų1942.2 Ų42.213%0.12824%0.235CC..  trans-86125.6170.6-68.50000109.7Y235 V268 N370Y235-C265 WeakPolarHBondContact CE1-O 3.31Å; Y235-C265 PolarHBondContact OH-O 3.38Å; C265-V268 HydrophobicContact CB-CG2 3.78Å; C265-N370 WeakPolarHBondContact CA-O 3.44Å; C265-N370 WeakPolarHBondContact CB-O 3.4Å; C265-N370 PolarHBondContact SG-O 2.83Å
266E97.1Very high90.5Very high24 Ų2453.1 Ų53.111%0.11228%0.275CS..SBendtrans-83.2-25.6179-58.9-170.8144.600112.7I323 S324 A327 R330 F368 E369E266-I323 WeakPolarHBondContact O-CA 3.31Å; E266-S324 PolarHBondContact O-N 2.91Å; E266-A327 HydrophobicContact CB-CB 3.79Å; E266-A327 HydrophobicContact CG-CB 3.98Å; E266-R330 IonicContact OE1-CZ 2.81Å; E266-R330 VanDerWaalsContact OE1-CZ 3.23Å; E266-R330 IonicContact OE1-NH1 2.73Å; E266-R330 PolarHBondContact OE1-NH1 2.93Å; E266-R330 IonicContact OE1-NH2 3.23Å; E266-R330 PolarHBondContact OE1-NH2 2.87Å; E266-R330 IonicContact OE2-CZ 2.81Å; E266-R330 IonicContact OE2-NH2 3.86Å; E266-R330 PolarHBondContact OE2-NH2 3.24Å; E266-F368 HydrophobicContact CB-CB 4.22Å; E266-F368 HydrophobicContact CB-CD1 3.91Å; E266-E369 WeakPolarHBondContact CB-O 3.34Å; E266-E369 WeakPolarHBondContact CG-O 3.5Å; E266-E369 PolarHBondContact N-O 2.98Å; E266-E369 PolarHBondContact OE2-N 3.28Å
267F98.1Very high89.7Confident0 Ų056.9 Ų56.90%031%0.307CS..EExtended strand (participates in β ladder)trans-143.9124.7-178.4-163.9-69.4000110.4Y216 M269 L321 W322 I323 I365 F368 S371 L372Y216-F267 WeakPolarHBondContact OH-CE2 3.44Å; F267-M269 HydrophobicContact CE1-CB 4.27Å; F267-M269 HydrophobicContact CE1-CE 4.28Å; F267-L321 HydrophobicContact CE1-CD2 3.97Å; F267-L321 HydrophobicContact CZ-CB 4.48Å; F267-L321 HydrophobicContact CZ-CD1 3.93Å; F267-L321 HydrophobicContact CZ-CD2 4.18Å; F267-L321 HydrophobicContact CZ-CG 4.44Å; F267-W322 CarbonylContact C-O 3.59Å; F267-W322 WeakPolarHBondContact CA-O 3.24Å; F267-I323 HydrophobicContact CD2-CB 4.45Å; F267-I323 HydrophobicContact CD2-CD1 4.22Å; F267-I323 HydrophobicContact CD2-CG1 3.86Å; F267-I323 HydrophobicContact CD2-CG2 3.91Å; F267-I323 HydrophobicContact CE2-CD1 3.69Å; F267-I323 HydrophobicContact CE2-CG1 3.78Å; F267-I323 HydrophobicContact CE2-CG2 4.41Å; F267-I323 HydrophobicContact CG-CG1 4.48Å; F267-I323 HydrophobicContact CZ-CD1 4.25Å; F267-I323 HydrophobicContact CZ-CG1 4.33Å; F267-I365 HydrophobicContact CB-CG1 4.45Å; F267-I365 HydrophobicContact CD1-CB 3.89Å; F267-I365 HydrophobicContact CD1-CD1 3.65Å; F267-I365 HydrophobicContact CD1-CG1 3.48Å; F267-I365 VanDerWaalsContact CD1-CG1 3.48Å; F267-I365 HydrophobicContact CE1-CB 3.8Å; F267-I365 HydrophobicContact CE1-CD1 3.89Å; F267-I365 HydrophobicContact CE1-CG1 3.86Å; F267-I365 HydrophobicContact CG-CB 4.38Å; F267-I365 HydrophobicContact CG-CG1 4.05Å; F267-I365 HydrophobicContact CZ-CB 4.2Å; F267-F368 HydrophobicContact CB-CB 3.6Å; F267-F368 HydrophobicContact CB-CD1 4.12Å; F267-F368 HydrophobicContact CB-CD2 4.12Å; F267-F368 HydrophobicContact CB-CG 3.69Å; F267-F368 HydrophobicContact CD2-CD1 4.24Å; F267-F368 AromaticContact CD2-CD2 3.43Å; F267-F368 HydrophobicContact CD2-CD2 3.43Å; F267-F368 VanDerWaalsContact CD2-CD2 3.43Å; F267-F368 HydrophobicContact CD2-CE1 4.31Å; F267-F368 AromaticContact CD2-CE2 3.54Å; F267-F368 HydrophobicContact CD2-CE2 3.54Å; F267-F368 AromaticContact CD2-CG 3.82Å; F267-F368 HydrophobicContact CD2-CG 3.82Å; F267-F368 AromaticContact CD2-CZ 3.99Å; F267-F368 HydrophobicContact CD2-CZ 3.99Å; F267-F368 HydrophobicContact CE2-CD2 4.16Å; F267-F368 AromaticContact CE2-CE2 3.96Å; F267-F368 HydrophobicContact CE2-CE2 3.96Å; F267-F368 HydrophobicContact CG-CB 4.43Å; F267-F368 HydrophobicContact CG-CD2 4.12Å; F267-F368 HydrophobicContact CG-CG 4.19Å; F267-S371 VanDerWaalsContact O-CA 3.31Å; F267-S371 WeakPolarHBondContact O-CA 3.47Å; F267-L372 PolarHBondContact O-N 2.98Å
268V98.2Very high89.2Confident0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-124.6129.1175.7-173.40000109.8L256 C265 L321 W322 L372 I374L256-V268 HydrophobicContact CD1-CG2 4.13Å; L256-V268 HydrophobicContact CD2-CB 4.37Å; L256-V268 HydrophobicContact CD2-CG2 3.75Å; L256-V268 HydrophobicContact CG-CG2 3.94Å; C265-V268 HydrophobicContact CB-CG2 3.78Å; V268-L321 CarbonylContact O-C 3.52Å; V268-L321 WeakPolarHBondContact O-CA 3.42Å; V268-W322 HydrophobicContact CB-CB 4.16Å; V268-W322 PolarHBondContact N-O 3.03Å; V268-W322 PolarHBondContact O-N 2.81Å; V268-L372 VanDerWaalsContact CA-O 3.26Å; V268-L372 WeakPolarHBondContact CA-O 3.3Å; V268-L372 HydrophobicContact CG1-CB 4.45Å; V268-L372 HydrophobicContact CG2-CB 4.22Å; V268-I374 HydrophobicContact CG1-CD1 3.45Å; V268-I374 VanDerWaalsContact CG1-CD1 3.45Å; V268-I374 HydrophobicContact CG1-CG1 3.73Å
269M98.1Very high88.7Confident0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-111122.3176.3-179.9178.4-72.400109.6F267 V271 L284 L293 N317 L321 G362 I365 L372 G373 I374F267-M269 HydrophobicContact CE1-CB 4.27Å; F267-M269 HydrophobicContact CE1-CE 4.28Å; M269-V271 HydrophobicContact CG-CG1 4.14Å; M269-V271 PolarHBondContact O-N 2.88Å; M269-V271 HydrophobicContact SD-CG1 4.33Å; M269-L284 HydrophobicContact SD-CD1 4.01Å; M269-L293 HydrophobicContact CE-CB 4.43Å; M269-L293 HydrophobicContact CE-CD2 4.19Å; M269-L293 HydrophobicContact SD-CD1 4.33Å; M269-N317 VanDerWaalsContact CG-OD1 3.31Å; M269-N317 WeakPolarHBondContact CG-OD1 3.45Å; M269-N317 HydrophobicContact SD-CB 3.85Å; M269-N317 VanDerWaalsContact SD-CG 3.51Å; M269-N317 PolarHBondContact SD-OD1 3.06Å; M269-N317 VanDerWaalsContact SD-OD1 3.33Å; M269-L321 HydrophobicContact CB-CD2 3.86Å; M269-L321 HydrophobicContact CE-CD2 3.84Å; M269-L321 HydrophobicContact CG-CD2 3.63Å; M269-G362 WeakPolarHBondContact CE-O 3.44Å; M269-I365 HydrophobicContact CB-CD1 4.05Å; M269-I365 HydrophobicContact CE-CD1 4.43Å; M269-L372 PolarHBondContact N-O 2.9Å; M269-G373 WeakPolarHBondContact O-CA 3.43Å; M269-I374 PolarHBondContact O-N 2.72Å
270E98.5Very high88.2Confident0 Ų060.7 Ų60.70%032%0.32CS..EExtended strand (participates in β ladder)trans-73.5124.6167.8-62.1179.3-153.600108.9I252 T318 N320 W322 I374 V376 R380I252-E270 HydrophobicContact CD1-CG 4.15Å; E270-T318 WeakPolarHBondContact CB-OG1 3.44Å; E270-T318 WeakPolarHBondContact O-CB 3.47Å; E270-T318 WeakPolarHBondContact O-CG2 3.47Å; E270-T318 PolarHBondContact O-N 3.14Å; E270-T318 VanDerWaalsContact O-N 3.12Å; E270-T318 PolarHBondContact O-OG1 2.8Å; E270-N320 HydrophobicContact CB-CB 3.96Å; E270-N320 HydrophobicContact CG-CB 4.04Å; E270-N320 PolarHBondContact N-O 3.05Å; E270-N320 PolarHBondContact OE2-ND2 2.82Å; E270-N320 VanDerWaalsContact OE2-ND2 3.08Å; E270-W322 PolarHBondContact OE1-NE1 3.03Å; E270-I374 WeakPolarHBondContact CA-O 3.37Å; E270-V376 HydrophobicContact CB-CG1 4.02Å; E270-V376 HydrophobicContact CB-CG2 3.89Å; E270-V376 HydrophobicContact CG-CG1 3.86Å; E270-R380 IonicContact OE1-CZ 3.58Å; E270-R380 IonicContact OE1-NE 3.5Å; E270-R380 PolarHBondContact OE1-NE 3.02Å; E270-R380 IonicContact OE1-NH2 3.36Å; E270-R380 PolarHBondContact OE1-NH2 3.43Å; E270-R380 IonicContact OE2-CZ 3.85Å; E270-R380 IonicContact OE2-NE 3.32Å; E270-R380 PolarHBondContact OE2-NE 3.48Å; E270-R380 IonicContact OE2-NH2 2.76Å; E270-R380 PolarHBondContact OE2-NH2 2.95Å
271V97.3Very high88.5Confident0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-115.2154.9173.6-62.10000108.7I75 M269 L284 I315 F316 I374 N375 V376I75-V271 HydrophobicContact CG2-CG2 3.84Å; M269-V271 HydrophobicContact CG-CG1 4.14Å; M269-V271 PolarHBondContact O-N 2.88Å; M269-V271 HydrophobicContact SD-CG1 4.33Å; V271-L284 HydrophobicContact CG1-CB 4.47Å; V271-I315 HydrophobicContact CB-CB 4.24Å; V271-I315 HydrophobicContact CB-CD1 4.17Å; V271-I315 HydrophobicContact CG1-CD1 4.33Å; V271-I315 HydrophobicContact CG2-CB 4.27Å; V271-I315 HydrophobicContact CG2-CD1 3.83Å; V271-I315 HydrophobicContact CG2-CG2 4.4Å; V271-F316 CarbonylContact C-O 3.46Å; V271-F316 WeakPolarHBondContact CA-O 3.41Å; V271-F316 WeakPolarHBondContact CB-O 3.39Å; V271-I374 WeakPolarHBondContact CG2-O 3.48Å; V271-I374 PolarHBondContact N-O 3.33Å; V271-I374 VanDerWaalsContact O-O 3.1Å; V271-N375 HydrophobicContact CG2-CB 4.26Å; V271-N375 CarbonylContact O-C 3.58Å; V271-N375 VanDerWaalsContact O-CA 3.28Å; V271-N375 WeakPolarHBondContact O-CA 3.33Å; V271-N375 PolarHBondContact O-OD1 2.77Å; V271-V376 WeakPolarHBondContact O-CG2 3.22Å; V271-V376 PolarHBondContact O-N 2.93Å
272T96Very high88.9Confident4 Ų451.5 Ų51.53%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-138162.8174.2-162.60000110.8K274 I315 F316 T318 V376 F381T272-K274 PolarHBondContact O-N 3.18Å; T272-I315 CarbonylContact O-C 3.08Å; T272-I315 VanDerWaalsContact O-CA 3.26Å; T272-I315 WeakPolarHBondContact O-CA 3.46Å; T272-F316 HydrophobicContact CG2-CD1 3.97Å; T272-F316 HydrophobicContact CG2-CE1 3.22Å; T272-F316 HydrophobicContact CG2-CE2 4.4Å; T272-F316 HydrophobicContact CG2-CZ 3.48Å; T272-F316 VanDerWaalsContact CG2-CZ 3.48Å; T272-F316 PolarHBondContact N-O 3.43Å; T272-F316 VanDerWaalsContact O-CD1 3.22Å; T272-F316 WeakPolarHBondContact O-CD1 3.33Å; T272-F316 PolarHBondContact O-N 3.37Å; T272-T318 HydrophobicContact CG2-CG2 3.77Å; T272-V376 WeakPolarHBondContact CB-O 3.47Å; T272-V376 PolarHBondContact OG1-O 3.31Å; T272-F381 HydrophobicContact CG2-CB 4.26Å; T272-F381 HydrophobicContact CG2-CD1 4.42Å; T272-F381 HydrophobicContact CG2-CG 4.42Å
273N93.4Very high89.5Confident90 Ų9048.4 Ų48.448%0.48124%0.241SC..EExtended strand (participates in β ladder)trans-64.6134.4-177-64.9-39.3000111.1K314 N375N273-K314 CarbonylContact C-O 3.59Å; N273-K314 WeakPolarHBondContact CA-O 3.49Å; N273-N375 PolarHBondContact OD1-ND2 3.18Å
274K89.6Confident90Very high20 Ų2041.7 Ų41.79%0.08721%0.211CC..  trans-68.6130177.4-79-172.8173-179.80110.6T272 G281 V310 F313 K314 I315 F316T272-K274 PolarHBondContact O-N 3.18Å; K274-G281 PolarHBondContact NZ-O 3.31Å; K274-V310 HydrophobicContact CB-CG1 4.09Å; K274-F313 WeakPolarHBondContact CD-O 3.19Å; K274-K314 PolarHBondContact N-O 3.38Å; K274-I315 VanDerWaalsContact CE-O 3.24Å; K274-I315 WeakPolarHBondContact CE-O 3.27Å; K274-F316 HydrophobicContact CB-CD1 4.39Å; K274-F316 HydrophobicContact CD-CB 4.33Å; K274-F316 HydrophobicContact CG-CB 3.78Å; K274-F316 HydrophobicContact CG-CD1 3.69Å; K274-F316 HydrophobicContact CG-CG 4.12Å
275T85.1Confident90.1Very high57 Ų5737.3 Ų37.335%0.3520%0.195SC..  trans-97.2176.4161.276.40000109.8A277 D278T275-A277 PolarHBondContact O-N 3.4Å; T275-A277 VanDerWaalsContact O-N 3.15Å; T275-A277 PolarHBondContact OG1-N 3.34Å; T275-D278 WeakPolarHBondContact CA-OD2 3.19Å; T275-D278 VanDerWaalsContact CB-OD2 3.29Å; T275-D278 WeakPolarHBondContact CB-OD2 3.42Å; T275-D278 PolarHBondContact N-OD2 3.35Å; T275-D278 PolarHBondContact O-N 3.39Å; T275-D278 PolarHBondContact OG1-OD2 3Å
276R77.3Confident90Very high241 Ų24138.4 Ų38.491%0.90920%0.198SC*.THydrogen-bonded Turntrans-59-24.2174.1-67.9-176.1179.81770.5113
277A76.5Confident89.7Confident83 Ų8338.6 Ų38.669%0.68620%0.198SC*.THydrogen-bonded Turntrans-77.4-22.3177.700000113.2T275T275-A277 PolarHBondContact O-N 3.4Å; T275-A277 VanDerWaalsContact O-N 3.15Å; T275-A277 PolarHBondContact OG1-N 3.34Å
278D81.7Confident89.3Confident24 Ų2445 Ų4513%0.12823%0.228CC..  trans-104.49.5-170.1-39.4-73000113.5T275 K280 G281 F316 R378T275-D278 WeakPolarHBondContact CA-OD2 3.19Å; T275-D278 VanDerWaalsContact CB-OD2 3.29Å; T275-D278 WeakPolarHBondContact CB-OD2 3.42Å; T275-D278 PolarHBondContact N-OD2 3.35Å; T275-D278 PolarHBondContact O-N 3.39Å; T275-D278 PolarHBondContact OG1-OD2 3Å; D278-K280 PolarHBondContact O-N 3.19Å; D278-G281 PolarHBondContact O-N 3Å; D278-F316 HydrophobicContact CB-CD1 3.92Å; D278-F316 HydrophobicContact CB-CD2 4.35Å; D278-F316 HydrophobicContact CB-CE1 3.72Å; D278-F316 HydrophobicContact CB-CE2 4.2Å; D278-F316 HydrophobicContact CB-CG 4.22Å; D278-F316 HydrophobicContact CB-CZ 3.88Å; D278-R378 VanDerWaalsContact CG-NH2 3.3Å; D278-R378 IonicContact OD1-NH1 3Å; D278-R378 IonicContact OD1-NH2 3.96Å; D278-R378 PolarHBondContact OD1-NH2 2.84Å; D278-R378 IonicContact OD2-CZ 3.76Å; D278-R378 IonicContact OD2-NH1 2.78Å; D278-R378 IonicContact OD2-NH2 2.68Å; D278-R378 PolarHBondContact OD2-NH2 3.34Å
279V79.8Confident88.8Confident37 Ų3747.9 Ų47.922%0.22426%0.257CS..THydrogen-bonded Turntrans-59.8-18.3-175.3-64.40000113.9K308 V310V279-K308 HydrophobicContact CB-CB 4.47Å; V279-V310 HydrophobicContact CG1-CG1 4.13Å
280K77.1Confident88.6Confident158 Ų15851.7 Ų51.769%0.68727%0.274SS*.THydrogen-bonded Turntrans-87.7-14.2177.7-62.3-176.5-179.4179.60113.8D278D278-K280 PolarHBondContact O-N 3.19Å
281G83.6Confident88.4Confident23 Ų2352.1 Ų52.124%0.23728%0.276CS..SBendtrans-72.9143.5-177.400000112.7K274 D278K274-G281 PolarHBondContact NZ-O 3.31Å; D278-G281 PolarHBondContact O-N 3Å
282G89.2Confident88.3Confident3 Ų353.2 Ų53.23%0.03128%0.28CS..  trans-55.7148.5172.600000112.8V294 E295 F316 N317G282-V294 CarbonylContact C-O 3.59Å; G282-V294 VanDerWaalsContact CA-O 3.23Å; G282-V294 WeakPolarHBondContact CA-O 3.23Å; G282-E295 WeakPolarHBondContact CA-OE2 3.5Å; G282-E295 PolarHBondContact N-OE2 2.93Å; G282-E295 VanDerWaalsContact N-OE2 3.13Å; G282-F316 VanDerWaalsContact O-CA 3.27Å; G282-F316 WeakPolarHBondContact O-CA 3.23Å; G282-F316 WeakPolarHBondContact O-CB 3.28Å; G282-N317 PolarHBondContact O-N 3.28Å
283T93.6Very high88.2Confident0 Ų053.1 Ų53.10%028%0.28CS..EExtended strand (participates in β ladder)trans-127.2155.4-176.7-163.10000110.8T285 V294 F307 F313 I315T283-T285 HydrophobicContact CG2-CG2 3.89Å; T283-V294 PolarHBondContact N-O 3.3Å; T283-V294 PolarHBondContact O-N 2.91Å; T283-F307 HydrophobicContact CG2-CD2 4.41Å; T283-F307 HydrophobicContact CG2-CE2 3.47Å; T283-F307 VanDerWaalsContact CG2-CE2 3.47Å; T283-F307 HydrophobicContact CG2-CZ 3.82Å; T283-F313 HydrophobicContact CG2-CB 4.13Å; T283-F313 HydrophobicContact CG2-CD1 3.48Å; T283-F313 VanDerWaalsContact CG2-CD1 3.48Å; T283-F313 HydrophobicContact CG2-CE1 4.07Å; T283-F313 HydrophobicContact CG2-CG 3.88Å; T283-I315 WeakPolarHBondContact CB-O 3.33Å; T283-I315 PolarHBondContact OG1-O 3.27Å
284L94.3Very high88.2Confident1 Ų148.9 Ų48.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-88126.8179.3-155.366000109.6I75 M269 V271 L291 I315 I365I75-L284 HydrophobicContact CD1-CB 4.25Å; I75-L284 HydrophobicContact CD1-CD2 3.95Å; I75-L284 HydrophobicContact CG1-CD2 4.27Å; M269-L284 HydrophobicContact SD-CD1 4.01Å; V271-L284 HydrophobicContact CG1-CB 4.47Å; L284-L291 HydrophobicContact CD2-CD1 4.11Å; L284-L291 HydrophobicContact CD2-CD2 4.33Å; L284-L291 HydrophobicContact CG-CD2 4.32Å; L284-I315 HydrophobicContact CB-CD1 4.25Å; L284-I365 HydrophobicContact CD1-CD1 4.03Å; L284-I365 HydrophobicContact CD1-CG2 4.33Å
285T93.2Very high88.1Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-128.5169.6179.970.60000110.4I67 T283 L291 R292 V294 F313I67-T285 HydrophobicContact CG2-CG2 3.84Å; T283-T285 HydrophobicContact CG2-CG2 3.89Å; T285-L291 WeakPolarHBondContact O-CA 3.22Å; T285-R292 PolarHBondContact N-O 3.18Å; T285-R292 PolarHBondContact O-N 3.07Å; T285-R292 PolarHBondContact OG1-O 3.14Å; T285-V294 HydrophobicContact CG2-CB 4.2Å; T285-V294 HydrophobicContact CG2-CG2 3.94Å; T285-V294 WeakPolarHBondContact OG1-CG2 3.34Å; T285-F313 HydrophobicContact CG2-CD1 4.35Å; T285-F313 HydrophobicContact CG2-CE1 3.78Å
286Q93Very high88.2Confident42 Ų4250 Ų5020%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-102.4130.6166-171.617229.700109.2Q68 P71 G289 K290Q68-Q286 HydrophobicContact CB-CB 4.28Å; Q68-Q286 PolarHBondContact N-O 2.87Å; Q68-Q286 PolarHBondContact O-N 2.84Å; P71-Q286 VanDerWaalsContact CD-OE1 3.22Å; Q286-G289 PolarHBondContact NE2-O 2.87Å; Q286-K290 WeakPolarHBondContact CA-O 3.4Å
287Y90.8Very high88.5Confident27 Ų2742.9 Ų42.911%0.10625%0.252CS..EExtended strand (participates in β ladder)trans-142.9125.3178-171.8-88.6000108.5V62 K66 I67 G289 K290 R292V62-Y287 HydrophobicContact CG1-CD2 3.67Å; V62-Y287 HydrophobicContact CG1-CE2 3.48Å; V62-Y287 VanDerWaalsContact CG1-CE2 3.48Å; K66-Y287 HydrophobicContact CB-CD2 4.01Å; K66-Y287 HydrophobicContact CB-CE2 3.52Å; K66-Y287 HydrophobicContact CD-CE2 4.24Å; I67-Y287 HydrophobicContact CG1-CD2 4.22Å; Y287-G289 PolarHBondContact O-N 3.36Å; Y287-K290 PolarHBondContact N-O 3.18Å; Y287-K290 PolarHBondContact O-N 3.46Å; Y287-K290 VanDerWaalsContact O-O 3.12Å; Y287-R292 VanDerWaalsContact CD1-NH1 3.35Å; Y287-R292 VanDerWaalsContact CE1-NH1 3.34Å
288E88.6Confident88.9Confident136 Ų13639.8 Ų39.864%0.63622%0.224SC*.THydrogen-bonded Turntrans52.341.3-179.3-66.5177.5173.400113.3K66 K290K66-E288 IonicContact NZ-OE1 2.71Å; K66-E288 PolarHBondContact NZ-OE1 2.87Å; E288-K290 VanDerWaalsContact C-N 3.26Å; E288-K290 PolarHBondContact O-N 2.84Å
289G88.8Confident89.1Confident60 Ų6039.2 Ų39.262%0.61922%0.221SC*.THydrogen-bonded Turntrans82-12.6175.400000115.4Q286 Y287Q286-G289 PolarHBondContact NE2-O 2.87Å; Y287-G289 PolarHBondContact O-N 3.36Å
290K93Very high89.4Confident79 Ų7939.2 Ų39.234%0.34322%0.222SC..EExtended strand (participates in β ladder)trans-109.9157.3178.1-67.4-166.5171.9-166.80112.4Q286 Y287 E288 K366 E369Q286-K290 WeakPolarHBondContact CA-O 3.4Å; Y287-K290 PolarHBondContact N-O 3.18Å; Y287-K290 PolarHBondContact O-N 3.46Å; Y287-K290 VanDerWaalsContact O-O 3.12Å; E288-K290 VanDerWaalsContact C-N 3.26Å; E288-K290 PolarHBondContact O-N 2.84Å; K290-K366 VanDerWaalsContact CD-O 3.22Å; K290-K366 WeakPolarHBondContact CD-O 3.33Å; K290-E369 IonicContact NZ-OE1 2.68Å; K290-E369 PolarHBondContact NZ-OE1 2.94Å; K290-E369 IonicContact NZ-OE2 2.67Å
291L94.7Very high89.9Confident9 Ų941.3 Ų41.35%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-71.3136.1169.8-70.8176.1000110.1P70 L284 T285 K366 S371P70-L291 HydrophobicContact CB-CD2 4Å; L284-L291 HydrophobicContact CD2-CD1 4.11Å; L284-L291 HydrophobicContact CD2-CD2 4.33Å; L284-L291 HydrophobicContact CG-CD2 4.32Å; T285-L291 WeakPolarHBondContact O-CA 3.22Å; L291-K366 WeakPolarHBondContact O-CA 3.38Å; L291-S371 WeakPolarHBondContact CD1-O 3.24Å
292R94.6Very high90.1Very high23 Ų2344.5 Ų44.59%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-138.2138.9-179.6-171.5171.7-179.5-167.8-3.6109.9S61 T285 Y287 E340 K366S61-R292 PolarHBondContact O-NH1 3.38Å; S61-R292 PolarHBondContact O-NH2 2.65Å; T285-R292 PolarHBondContact N-O 3.18Å; T285-R292 PolarHBondContact O-N 3.07Å; T285-R292 PolarHBondContact OG1-O 3.14Å; Y287-R292 VanDerWaalsContact CD1-NH1 3.35Å; Y287-R292 VanDerWaalsContact CE1-NH1 3.34Å; R292-E340 IonicContact CZ-OE1 2.96Å; R292-E340 IonicContact NE-OE1 3.38Å; R292-E340 PolarHBondContact NE-OE1 3.27Å; R292-E340 IonicContact NH2-OE1 2.68Å; R292-E340 PolarHBondContact NH2-OE1 2.98Å; R292-K366 HydrophobicContact CG-CB 4.47Å; R292-K366 HydrophobicContact CG-CD 4.27Å
293L94.9Very high90.1Very high2 Ų247.4 Ų47.41%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-81.9118.9169.9178.565.9000108.4M269 N317 I365M269-L293 HydrophobicContact CE-CB 4.43Å; M269-L293 HydrophobicContact CE-CD2 4.19Å; M269-L293 HydrophobicContact SD-CD1 4.33Å; L293-N317 HydrophobicContact CD1-CB 3.84Å; L293-I365 HydrophobicContact CB-CG2 4.42Å
294V92.1Very high89.8Confident1 Ų148.7 Ų48.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-105.3123.4175.3178.80000108.9G282 T283 T285 Q298 V299 F307G282-V294 CarbonylContact C-O 3.59Å; G282-V294 VanDerWaalsContact CA-O 3.23Å; G282-V294 WeakPolarHBondContact CA-O 3.23Å; T283-V294 PolarHBondContact N-O 3.3Å; T283-V294 PolarHBondContact O-N 2.91Å; T285-V294 HydrophobicContact CG2-CB 4.2Å; T285-V294 HydrophobicContact CG2-CG2 3.94Å; T285-V294 WeakPolarHBondContact OG1-CG2 3.34Å; V294-Q298 HydrophobicContact CG1-CB 4.47Å; V294-V299 HydrophobicContact CG1-CG2 4.02Å; V294-F307 HydrophobicContact CB-CE2 4.33Å; V294-F307 HydrophobicContact CG1-CE2 3.94Å; V294-F307 HydrophobicContact CG1-CZ 4.5Å; V294-F307 WeakPolarHBondContact O-CZ 3.41Å
295E89.4Confident89.6Confident48 Ų4854.6 Ų54.622%0.22431%0.307CS..  trans-97.4155.9174.9-70.9-66.717300111.3G282 A297 Q298G282-E295 WeakPolarHBondContact CA-OE2 3.5Å; G282-E295 PolarHBondContact N-OE2 2.93Å; G282-E295 VanDerWaalsContact N-OE2 3.13Å; E295-A297 PolarHBondContact O-N 3.04Å; E295-A297 VanDerWaalsContact O-N 3.11Å; E295-Q298 HydrophobicContact CB-CG 4.48Å; E295-Q298 WeakPolarHBondContact O-CB 3.5Å; E295-Q298 PolarHBondContact O-N 3.47Å
296I86.5Confident89.3Confident54 Ų5457.4 Ų57.428%0.27732%0.32SS..G310 helixtrans-57-31.3179.9-167.5169.7000112.9Q298 V299 V304 F307I296-Q298 PolarHBondContact O-N 2.76Å; I296-V299 PolarHBondContact O-N 2.95Å; I296-V304 HydrophobicContact CD1-CG1 4.15Å; I296-V304 HydrophobicContact CG1-CG1 4.38Å; I296-F307 HydrophobicContact CB-CD1 4.36Å; I296-F307 HydrophobicContact CB-CE1 4.1Å; I296-F307 HydrophobicContact CG1-CD1 4.37Å
297A83.3Confident89Confident91 Ų9155.4 Ų55.475%0.75231%0.311SS*.G310 helixtrans-66.2-23.3178.900000113.1E295E295-A297 PolarHBondContact O-N 3.04Å; E295-A297 VanDerWaalsContact O-N 3.11Å
298Q84.1Confident88.8Confident17 Ų1757.6 Ų57.68%0.07932%0.321CS..G310 helixtrans-87.6-12.8179.4-58.3168.89.100112.1V62 V294 E295 I296V62-Q298 HydrophobicContact CG2-CB 4.05Å; V294-Q298 HydrophobicContact CG1-CB 4.47Å; E295-Q298 HydrophobicContact CB-CG 4.48Å; E295-Q298 WeakPolarHBondContact O-CB 3.5Å; E295-Q298 PolarHBondContact O-N 3.47Å; I296-Q298 PolarHBondContact O-N 2.76Å
299V86.2Confident88.8Confident12 Ų1253.1 Ų53.17%0.07331%0.305CS..SBendtrans-83.3127.3-176.3178.60000110W64 V294 I296 K301 H303 V304 F307W64-V299 HydrophobicContact CE3-CG1 3.81Å; W64-V299 HydrophobicContact CH2-CG1 4.26Å; W64-V299 HydrophobicContact CZ3-CB 4.27Å; W64-V299 HydrophobicContact CZ3-CG1 3.45Å; W64-V299 VanDerWaalsContact CZ3-CG1 3.45Å; W64-V299 HydrophobicContact CZ3-CG2 3.9Å; V294-V299 HydrophobicContact CG1-CG2 4.02Å; I296-V299 PolarHBondContact O-N 2.95Å; V299-K301 PolarHBondContact O-N 2.78Å; V299-H303 HydrophobicContact CG1-CB 4.1Å; V299-V304 HydrophobicContact CG1-CG2 4.18Å; V299-F307 HydrophobicContact CG1-CB 4.11Å; V299-F307 HydrophobicContact CG2-CB 4.16Å; V299-F307 HydrophobicContact CG2-CD1 4.22Å; V299-F307 HydrophobicContact CG2-CD2 3.65Å; V299-F307 HydrophobicContact CG2-CE2 4.02Å; V299-F307 HydrophobicContact CG2-CG 3.75Å; V299-F307 HydrophobicContact CG2-CZ 4.46Å
300P86.5Confident88.6Confident38 Ų3853.6 Ų53.625%0.24730%0.296CS..  trans-55.9141173.4-25.234.3000111.8P60 W64 A302 H303 V304P60-P300 HydrophobicContact CB-CG 4.34Å; W64-P300 HydrophobicContact CB-CG 4.43Å; P300-A302 PolarHBondContact O-N 3Å; P300-H303 PolarHBondContact O-N 2.75Å; P300-V304 PolarHBondContact O-N 3.17Å
301K86.8Confident88.1Confident201 Ų20153.9 Ų53.987%0.87431%0.307SS*.G310 helixtrans-50.5-34.9-175.1-68.9-177.3-179.8176.90113.9V299 H303V299-K301 PolarHBondContact O-N 2.78Å; K301-H303 VanDerWaalsContact C-N 3.27Å; K301-H303 PolarHBondContact O-N 3.48Å
302A88.9Confident87.6Confident91 Ų9157.4 Ų57.475%0.75232%0.323SS*.G310 helixtrans-65.6-23.8179.400000114.3P300P300-A302 PolarHBondContact O-N 3Å
303H89.4Confident87.3Confident64 Ų6457.1 Ų57.130%0.29632%0.322SS..G310 helixtrans-112.88.2-174.5-63.6-73.9000113.5W64 V299 P300 K301 D305 E306 F307W64-H303 AromaticContact CD1-CD2 3.65Å; W64-H303 AromaticContact CD1-CE1 3.59Å; W64-H303 AromaticContact CD1-CG 3.51Å; W64-H303 AromaticContact CD1-ND1 3.46Å; W64-H303 AromaticContact CD1-NE2 3.72Å; W64-H303 HydrophobicContact CD2-CB 3.54Å; W64-H303 AromaticContact CD2-CG 3.71Å; W64-H303 AromaticContact CE2-CG 3.67Å; W64-H303 AromaticContact CE2-ND1 3.84Å; W64-H303 HydrophobicContact CE3-CB 3.87Å; W64-H303 HydrophobicContact CG-CB 4.03Å; W64-H303 AromaticContact CG-CD2 3.63Å; W64-H303 AromaticContact CG-CG 3.65Å; W64-H303 HydrophobicContact CH2-CB 4.16Å; W64-H303 HydrophobicContact CZ2-CB 3.86Å; W64-H303 HydrophobicContact CZ3-CB 4.16Å; W64-H303 AromaticContact NE1-CE1 3.81Å; W64-H303 AromaticContact NE1-CG 3.5Å; W64-H303 AromaticContact NE1-ND1 3.27Å; W64-H303 PolarHBondContact NE1-ND1 3.37Å; V299-H303 HydrophobicContact CG1-CB 4.1Å; P300-H303 PolarHBondContact O-N 2.75Å; K301-H303 VanDerWaalsContact C-N 3.27Å; K301-H303 PolarHBondContact O-N 3.48Å; H303-D305 VanDerWaalsContact C-N 3.33Å; H303-D305 PolarHBondContact O-N 2.83Å; H303-E306 IonicContact ND1-OE2 3.64Å; H303-E306 PolarHBondContact ND1-OE2 3.11Å; H303-E306 VanDerWaalsContact ND1-OE2 3.16Å; H303-E306 WeakPolarHBondContact O-CB 3.45Å; H303-E306 PolarHBondContact O-N 2.88Å; H303-F307 PolarHBondContact O-N 2.56Å
304V87.6Confident87Confident27 Ų2763.9 Ų63.916%0.16435%0.351CS..Hα-helixtrans-61.6-40-177.8169.10000112.2I296 V299 P300 E306 F307 K308I296-V304 HydrophobicContact CD1-CG1 4.15Å; I296-V304 HydrophobicContact CG1-CG1 4.38Å; V299-V304 HydrophobicContact CG1-CG2 4.18Å; P300-V304 PolarHBondContact O-N 3.17Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-F307 PolarHBondContact O-N 2.71Å; V304-K308 HydrophobicContact CG1-CD 4.27Å; V304-K308 VanDerWaalsContact CG1-CE 3.46Å; V304-K308 WeakPolarHBondContact O-CG 3.05Å; V304-K308 PolarHBondContact O-N 2.91Å
305D88.8Confident87.1Confident124 Ų12464.7 Ų64.766%0.66336%0.356SS*.Hα-helixtrans-73.1-29.4180-64.4-29.5000112H303 K308 S309H303-D305 VanDerWaalsContact C-N 3.33Å; H303-D305 PolarHBondContact O-N 2.83Å; D305-K308 PolarHBondContact O-N 3.03Å; D305-K308 IonicContact OD1-NZ 3.67Å; D305-S309 PolarHBondContact O-N 3.22Å
306E87.8Confident87.4Confident59 Ų5962.8 Ų62.828%0.27635%0.346SS..Hα-helixtrans-64.9-43170.3-167.7-177.216500111.3W64 H303 V304 S309 K312W64-E306 HydrophobicContact CZ2-CB 4.03Å; W64-E306 VanDerWaalsContact CZ2-CD 3.43Å; W64-E306 HydrophobicContact CZ2-CG 3.84Å; W64-E306 PolarHBondContact NE1-OE2 3.33Å; H303-E306 IonicContact ND1-OE2 3.64Å; H303-E306 PolarHBondContact ND1-OE2 3.11Å; H303-E306 VanDerWaalsContact ND1-OE2 3.16Å; H303-E306 WeakPolarHBondContact O-CB 3.45Å; H303-E306 PolarHBondContact O-N 2.88Å; V304-E306 VanDerWaalsContact C-N 3.31Å; E306-S309 WeakPolarHBondContact O-CB 3.39Å; E306-S309 PolarHBondContact O-N 2.94Å; E306-S309 VanDerWaalsContact O-N 3.16Å; E306-K312 HydrophobicContact CG-CD 3.38Å; E306-K312 VanDerWaalsContact CG-NZ 3.28Å; E306-K312 WeakPolarHBondContact OE1-CD 3.43Å; E306-K312 IonicContact OE1-NZ 3.4Å; E306-K312 PolarHBondContact OE1-NZ 2.96Å; E306-K312 IonicContact OE2-NZ 3.86Å
307F86.8Confident87.9Confident1 Ų161.2 Ų61.20%0.00434%0.338CS..Hα-helixtrans-65.1-37.1176.6-176-100000113.3W64 T283 V294 I296 V299 H303 V304 S309 F313W64-F307 HydrophobicContact CH2-CB 3.87Å; W64-F307 HydrophobicContact CH2-CD2 4.19Å; W64-F307 HydrophobicContact CZ3-CB 4.23Å; W64-F307 HydrophobicContact CZ3-CD2 4.17Å; T283-F307 HydrophobicContact CG2-CD2 4.41Å; T283-F307 HydrophobicContact CG2-CE2 3.47Å; T283-F307 VanDerWaalsContact CG2-CE2 3.47Å; T283-F307 HydrophobicContact CG2-CZ 3.82Å; V294-F307 HydrophobicContact CB-CE2 4.33Å; V294-F307 HydrophobicContact CG1-CE2 3.94Å; V294-F307 HydrophobicContact CG1-CZ 4.5Å; V294-F307 WeakPolarHBondContact O-CZ 3.41Å; I296-F307 HydrophobicContact CB-CD1 4.36Å; I296-F307 HydrophobicContact CB-CE1 4.1Å; I296-F307 HydrophobicContact CG1-CD1 4.37Å; V299-F307 HydrophobicContact CG1-CB 4.11Å; V299-F307 HydrophobicContact CG2-CB 4.16Å; V299-F307 HydrophobicContact CG2-CD1 4.22Å; V299-F307 HydrophobicContact CG2-CD2 3.65Å; V299-F307 HydrophobicContact CG2-CE2 4.02Å; V299-F307 HydrophobicContact CG2-CG 3.75Å; V299-F307 HydrophobicContact CG2-CZ 4.46Å; H303-F307 PolarHBondContact O-N 2.56Å; V304-F307 PolarHBondContact O-N 2.71Å; F307-S309 PolarHBondContact O-N 2.66Å; F307-F313 HydrophobicContact CD2-CD2 4.21Å; F307-F313 HydrophobicContact CD2-CE2 4.04Å; F307-F313 HydrophobicContact CD2-CZ 4.43Å
308K87.1Confident88.5Confident72 Ų7257 Ų5731%0.31330%0.303SS..Hα-helixtrans-70.7-15174.8-70.5171.2-171.5161.70113.1V279 V304 D305 V310V279-K308 HydrophobicContact CB-CB 4.47Å; V304-K308 HydrophobicContact CG1-CD 4.27Å; V304-K308 VanDerWaalsContact CG1-CE 3.46Å; V304-K308 WeakPolarHBondContact O-CG 3.05Å; V304-K308 PolarHBondContact O-N 2.91Å; D305-K308 PolarHBondContact O-N 3.03Å; D305-K308 IonicContact OD1-NZ 3.67Å; K308-V310 PolarHBondContact O-N 2.96Å
309S86.7Confident89.1Confident43 Ų4356.8 Ų56.830%0.30130%0.303SS..  trans-68.8113.2-178.4-1750000111.5D305 E306 F307 S311 K312 F313D305-S309 PolarHBondContact O-N 3.22Å; E306-S309 WeakPolarHBondContact O-CB 3.39Å; E306-S309 PolarHBondContact O-N 2.94Å; E306-S309 VanDerWaalsContact O-N 3.16Å; F307-S309 PolarHBondContact O-N 2.66Å; S309-S311 PolarHBondContact O-N 3.03Å; S309-S311 VanDerWaalsContact O-N 3.15Å; S309-K312 PolarHBondContact O-N 3.46Å; S309-K312 VanDerWaalsContact O-N 3.09Å; S309-F313 PolarHBondContact O-N 3.03Å
310V84.8Confident89.7Confident70 Ų7056.2 Ų56.242%0.42430%0.299SS..THydrogen-bonded Turntrans-62.6-18.1175.2-62.40000113.3K274 V279 K308 K314K274-V310 HydrophobicContact CB-CG1 4.09Å; V279-V310 HydrophobicContact CG1-CG1 4.13Å; K308-V310 PolarHBondContact O-N 2.96Å; V310-K314 WeakPolarHBondContact O-CG 3.47Å
311S83.4Confident90.3Very high84 Ų8454.4 Ų54.459%0.58729%0.288SS*.THydrogen-bonded Turntrans-72.6-37.5174.9178.30000111.9S309S309-S311 PolarHBondContact O-N 3.03Å; S309-S311 VanDerWaalsContact O-N 3.15Å
312K84.2Confident90.8Very high84 Ų8444.9 Ų44.937%0.36525%0.246SC..THydrogen-bonded Turntrans-85.9-47-179.4-73.7-173.6170.9-174.50112.1E306 S309E306-K312 HydrophobicContact CG-CD 3.38Å; E306-K312 VanDerWaalsContact CG-NZ 3.28Å; E306-K312 WeakPolarHBondContact OE1-CD 3.43Å; E306-K312 IonicContact OE1-NZ 3.4Å; E306-K312 PolarHBondContact OE1-NZ 2.96Å; E306-K312 IonicContact OE2-NZ 3.86Å; S309-K312 PolarHBondContact O-N 3.46Å; S309-K312 VanDerWaalsContact O-N 3.09Å
313F87.3Confident91.3Very high17 Ų1740.5 Ų40.58%0.07521%0.21CC..  trans-116.399.1178.8-60.7-77.7000108.6W64 I67 K274 T283 T285 F307 S309W64-F313 AromaticContact CH2-CE2 3.9Å; W64-F313 HydrophobicContact CH2-CE2 3.9Å; W64-F313 HydrophobicContact CH2-CZ 4.16Å; W64-F313 HydrophobicContact CZ2-CE2 4.38Å; I67-F313 HydrophobicContact CG2-CZ 4.48Å; K274-F313 WeakPolarHBondContact CD-O 3.19Å; T283-F313 HydrophobicContact CG2-CB 4.13Å; T283-F313 HydrophobicContact CG2-CD1 3.48Å; T283-F313 VanDerWaalsContact CG2-CD1 3.48Å; T283-F313 HydrophobicContact CG2-CE1 4.07Å; T283-F313 HydrophobicContact CG2-CG 3.88Å; T285-F313 HydrophobicContact CG2-CD1 4.35Å; T285-F313 HydrophobicContact CG2-CE1 3.78Å; F307-F313 HydrophobicContact CD2-CD2 4.21Å; F307-F313 HydrophobicContact CD2-CE2 4.04Å; F307-F313 HydrophobicContact CD2-CZ 4.43Å; S309-F313 PolarHBondContact O-N 3.03Å
314K90.7Very high91.7Very high143 Ų14337.6 Ų37.662%0.62220%0.197SC*.  trans-82.6-17-172.2-64.4178.2-179.5-179.70113.7N273 K274 V310N273-K314 CarbonylContact C-O 3.59Å; N273-K314 WeakPolarHBondContact CA-O 3.49Å; K274-K314 PolarHBondContact N-O 3.38Å; V310-K314 WeakPolarHBondContact O-CG 3.47Å
315I93.9Very high92.2Very high19 Ų1936.3 Ų36.310%0.09719%0.189CC..EExtended strand (participates in β ladder)trans-124.1158.8-170.657.7166.1000111.6I75 V271 T272 K274 T283 L284I75-I315 HydrophobicContact CD1-CD1 3.22Å; I75-I315 HydrophobicContact CG2-CD1 4.49Å; V271-I315 HydrophobicContact CB-CB 4.24Å; V271-I315 HydrophobicContact CB-CD1 4.17Å; V271-I315 HydrophobicContact CG1-CD1 4.33Å; V271-I315 HydrophobicContact CG2-CB 4.27Å; V271-I315 HydrophobicContact CG2-CD1 3.83Å; V271-I315 HydrophobicContact CG2-CG2 4.4Å; T272-I315 CarbonylContact O-C 3.08Å; T272-I315 VanDerWaalsContact O-CA 3.26Å; T272-I315 WeakPolarHBondContact O-CA 3.46Å; K274-I315 VanDerWaalsContact CE-O 3.24Å; K274-I315 WeakPolarHBondContact CE-O 3.27Å; T283-I315 WeakPolarHBondContact CB-O 3.33Å; T283-I315 PolarHBondContact OG1-O 3.27Å; L284-I315 HydrophobicContact CB-CD1 4.25Å
316F94.8Very high92.6Very high8 Ų833.1 Ų33.14%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-141.3159.7170.275.8-76.5000111.8V271 T272 K274 D278 G282 F381V271-F316 CarbonylContact C-O 3.46Å; V271-F316 WeakPolarHBondContact CA-O 3.41Å; V271-F316 WeakPolarHBondContact CB-O 3.39Å; T272-F316 HydrophobicContact CG2-CD1 3.97Å; T272-F316 HydrophobicContact CG2-CE1 3.22Å; T272-F316 HydrophobicContact CG2-CE2 4.4Å; T272-F316 HydrophobicContact CG2-CZ 3.48Å; T272-F316 VanDerWaalsContact CG2-CZ 3.48Å; T272-F316 PolarHBondContact N-O 3.43Å; T272-F316 VanDerWaalsContact O-CD1 3.22Å; T272-F316 WeakPolarHBondContact O-CD1 3.33Å; T272-F316 PolarHBondContact O-N 3.37Å; K274-F316 HydrophobicContact CB-CD1 4.39Å; K274-F316 HydrophobicContact CD-CB 4.33Å; K274-F316 HydrophobicContact CG-CB 3.78Å; K274-F316 HydrophobicContact CG-CD1 3.69Å; K274-F316 HydrophobicContact CG-CG 4.12Å; D278-F316 HydrophobicContact CB-CD1 3.92Å; D278-F316 HydrophobicContact CB-CD2 4.35Å; D278-F316 HydrophobicContact CB-CE1 3.72Å; D278-F316 HydrophobicContact CB-CE2 4.2Å; D278-F316 HydrophobicContact CB-CG 4.22Å; D278-F316 HydrophobicContact CB-CZ 3.88Å; G282-F316 VanDerWaalsContact O-CA 3.27Å; G282-F316 WeakPolarHBondContact O-CA 3.23Å; G282-F316 WeakPolarHBondContact O-CB 3.28Å; F316-F381 HydrophobicContact CE2-CD1 4.05Å; F316-F381 AromaticContact CE2-CE1 3.45Å; F316-F381 HydrophobicContact CE2-CE1 3.45Å; F316-F381 VanDerWaalsContact CE2-CE1 3.45Å; F316-F381 HydrophobicContact CE2-CE2 4.21Å; F316-F381 AromaticContact CE2-CZ 3.52Å; F316-F381 HydrophobicContact CE2-CZ 3.52Å; F316-F381 AromaticContact CZ-CD1 3.6Å; F316-F381 HydrophobicContact CZ-CD1 3.6Å; F316-F381 AromaticContact CZ-CE1 3.35Å; F316-F381 HydrophobicContact CZ-CE1 3.35Å; F316-F381 HydrophobicContact CZ-CG 4.37Å; F316-F381 AromaticContact CZ-CZ 3.94Å; F316-F381 HydrophobicContact CZ-CZ 3.94Å
317N96.4Very high93.1Very high20 Ų2030.3 Ų30.311%0.10717%0.167CC..EExtended strand (participates in β ladder)trans-69.8128.7179.2176.926.7000111.6M269 G282 L293 N319M269-N317 VanDerWaalsContact CG-OD1 3.31Å; M269-N317 WeakPolarHBondContact CG-OD1 3.45Å; M269-N317 HydrophobicContact SD-CB 3.85Å; M269-N317 VanDerWaalsContact SD-CG 3.51Å; M269-N317 PolarHBondContact SD-OD1 3.06Å; M269-N317 VanDerWaalsContact SD-OD1 3.33Å; G282-N317 PolarHBondContact O-N 3.28Å; L293-N317 HydrophobicContact CD1-CB 3.84Å; N317-N319 WeakPolarHBondContact OD1-CA 3.44Å; N317-N319 PolarHBondContact OD1-N 3.25Å
318T96.4Very high93.6Very high2 Ų230.3 Ų30.31%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-84.9-13174.965.10000113.3E270 T272 N320 V376 F381E270-T318 WeakPolarHBondContact CB-OG1 3.44Å; E270-T318 WeakPolarHBondContact O-CB 3.47Å; E270-T318 WeakPolarHBondContact O-CG2 3.47Å; E270-T318 PolarHBondContact O-N 3.14Å; E270-T318 VanDerWaalsContact O-N 3.12Å; E270-T318 PolarHBondContact O-OG1 2.8Å; T272-T318 HydrophobicContact CG2-CG2 3.77Å; T318-N320 PolarHBondContact O-N 3.31Å; T318-N320 WeakPolarHBondContact OG1-CB 3.41Å; T318-N320 PolarHBondContact OG1-N 3.48Å; T318-V376 HydrophobicContact CG2-CG2 4.3Å; T318-F381 HydrophobicContact CG2-CB 4.04Å; T318-F381 HydrophobicContact CG2-CD2 3.9Å; T318-F381 HydrophobicContact CG2-CG 4.1Å; T318-F381 WeakPolarHBondContact O-CE2 3.22Å
319N96.9Very high94.2Very high14 Ų1429.8 Ų29.88%0.07517%0.165CC..EExtended strand (participates in β ladder)trans61.820.2-168.7-146.246.9000114.2N240 N317 V361N240-N319 PolarHBondContact OD1-ND2 3.24Å; N317-N319 WeakPolarHBondContact OD1-CA 3.44Å; N317-N319 PolarHBondContact OD1-N 3.25Å; N319-V361 WeakPolarHBondContact OD1-CG1 3.2Å
320N98.4Very high94.7Very high0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-92.5112.9164.1-59.8-15.9000108.1F237 V238 N243 A246 E270 T318 R380F237-N320 HydrophobicContact CE2-CB 4.02Å; F237-N320 HydrophobicContact CZ-CB 4.45Å; V238-N320 CarbonylContact O-C 3.37Å; V238-N320 WeakPolarHBondContact O-CA 3.49Å; N243-N320 PolarHBondContact ND2-OD1 3.06Å; A246-N320 VanDerWaalsContact CB-OD1 3.31Å; A246-N320 WeakPolarHBondContact CB-OD1 3.48Å; E270-N320 HydrophobicContact CB-CB 3.96Å; E270-N320 HydrophobicContact CG-CB 4.04Å; E270-N320 PolarHBondContact N-O 3.05Å; E270-N320 PolarHBondContact OE2-ND2 2.82Å; E270-N320 VanDerWaalsContact OE2-ND2 3.08Å; T318-N320 PolarHBondContact O-N 3.31Å; T318-N320 WeakPolarHBondContact OG1-CB 3.41Å; T318-N320 PolarHBondContact OG1-N 3.48Å; N320-R380 PolarHBondContact ND2-O 3.42Å
321L98.6Very high95.3Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-126.9142.7-169.1-50.7175.9000110.9F237 V238 F267 V268 M269 I323 V361F237-L321 CarbonylContact C-O 3.53Å; F237-L321 WeakPolarHBondContact CA-O 3.1Å; V238-L321 HydrophobicContact CB-CB 4.28Å; V238-L321 PolarHBondContact N-O 2.94Å; V238-L321 PolarHBondContact O-N 2.68Å; F267-L321 HydrophobicContact CE1-CD2 3.97Å; F267-L321 HydrophobicContact CZ-CB 4.48Å; F267-L321 HydrophobicContact CZ-CD1 3.93Å; F267-L321 HydrophobicContact CZ-CD2 4.18Å; F267-L321 HydrophobicContact CZ-CG 4.44Å; V268-L321 CarbonylContact O-C 3.52Å; V268-L321 WeakPolarHBondContact O-CA 3.42Å; M269-L321 HydrophobicContact CB-CD2 3.86Å; M269-L321 HydrophobicContact CE-CD2 3.84Å; M269-L321 HydrophobicContact CG-CD2 3.63Å; L321-I323 HydrophobicContact CB-CD1 4.29Å; L321-I323 HydrophobicContact CB-CG1 4.24Å; L321-V361 HydrophobicContact CD1-CB 4.17Å; L321-V361 HydrophobicContact CD1-CG1 3.57Å; L321-V361 HydrophobicContact CD1-CG2 3.66Å
322W98.6Very high95.9Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-121.3118175.5-52.674000108.3L97 I236 F237 V248 D249 I252 L253 L256 F267 V268 E270L97-W322 HydrophobicContact CD1-CE3 4.17Å; L97-W322 HydrophobicContact CD1-CZ3 3.95Å; L97-W322 HydrophobicContact CD2-CZ3 4.15Å; I236-W322 CarbonylContact O-C 3.6Å; I236-W322 WeakPolarHBondContact O-CA 3.27Å; F237-W322 HydrophobicContact CB-CD2 4.32Å; F237-W322 HydrophobicContact CB-CE3 3.93Å; F237-W322 HydrophobicContact CB-CH2 4.43Å; F237-W322 HydrophobicContact CB-CZ3 3.99Å; F237-W322 AromaticContact CD2-CD2 3.7Å; F237-W322 HydrophobicContact CD2-CD2 3.7Å; F237-W322 AromaticContact CD2-CE2 3.42Å; F237-W322 VanDerWaalsContact CD2-CE2 3.42Å; F237-W322 HydrophobicContact CD2-CE3 4.12Å; F237-W322 HydrophobicContact CD2-CG 4.2Å; F237-W322 HydrophobicContact CD2-CH2 4.11Å; F237-W322 AromaticContact CD2-CZ2 3.66Å; F237-W322 HydrophobicContact CD2-CZ2 3.66Å; F237-W322 HydrophobicContact CD2-CZ3 4.31Å; F237-W322 AromaticContact CD2-NE1 3.73Å; F237-W322 HydrophobicContact CE2-CD2 4.45Å; F237-W322 AromaticContact CE2-CE2 3.74Å; F237-W322 AromaticContact CE2-CZ2 3.82Å; F237-W322 HydrophobicContact CE2-CZ2 3.82Å; F237-W322 AromaticContact CE2-NE1 3.76Å; F237-W322 HydrophobicContact CG-CD2 4.34Å; F237-W322 HydrophobicContact CG-CE3 4.31Å; F237-W322 HydrophobicContact CG-CH2 4.17Å; F237-W322 HydrophobicContact CG-CZ2 4.18Å; F237-W322 HydrophobicContact CG-CZ3 4.22Å; F237-W322 HydrophobicContact CZ-CZ2 4.46Å; V248-W322 HydrophobicContact CG1-CH2 4.39Å; D249-W322 HydrophobicContact CB-CZ2 4.32Å; I252-W322 HydrophobicContact CB-CZ2 4.1Å; I252-W322 HydrophobicContact CG2-CD2 4.01Å; I252-W322 HydrophobicContact CG2-CG 4.31Å; I252-W322 HydrophobicContact CG2-CZ2 3.88Å; L253-W322 HydrophobicContact CB-CZ3 4.26Å; L253-W322 HydrophobicContact CD1-CZ3 4.25Å; L256-W322 HydrophobicContact CD2-CB 3.57Å; L256-W322 HydrophobicContact CD2-CG 4.35Å; F267-W322 CarbonylContact C-O 3.59Å; F267-W322 WeakPolarHBondContact CA-O 3.24Å; V268-W322 HydrophobicContact CB-CB 4.16Å; V268-W322 PolarHBondContact N-O 3.03Å; V268-W322 PolarHBondContact O-N 2.81Å; E270-W322 PolarHBondContact OE1-NE1 3.03Å
323I98.6Very high96.5Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-130.8133.9-168-44.7170.4000109.6Y216 Y235 I236 V238 E266 F267 L321 L325 V328 V361 F368Y216-I323 HydrophobicContact CE1-CD1 4.11Å; Y235-I323 CarbonylContact C-O 3.57Å; Y235-I323 WeakPolarHBondContact CA-O 3.27Å; I236-I323 HydrophobicContact CD1-CB 4.18Å; I236-I323 HydrophobicContact CD1-CD1 4.32Å; I236-I323 HydrophobicContact CG1-CB 3.81Å; I236-I323 WeakPolarHBondContact CG1-O 3.32Å; I236-I323 PolarHBondContact N-O 2.99Å; I236-I323 PolarHBondContact O-N 2.77Å; V238-I323 HydrophobicContact CG2-CD1 4.1Å; E266-I323 WeakPolarHBondContact O-CA 3.31Å; F267-I323 HydrophobicContact CD2-CB 4.45Å; F267-I323 HydrophobicContact CD2-CD1 4.22Å; F267-I323 HydrophobicContact CD2-CG1 3.86Å; F267-I323 HydrophobicContact CD2-CG2 3.91Å; F267-I323 HydrophobicContact CE2-CD1 3.69Å; F267-I323 HydrophobicContact CE2-CG1 3.78Å; F267-I323 HydrophobicContact CE2-CG2 4.41Å; F267-I323 HydrophobicContact CG-CG1 4.48Å; F267-I323 HydrophobicContact CZ-CD1 4.25Å; F267-I323 HydrophobicContact CZ-CG1 4.33Å; L321-I323 HydrophobicContact CB-CD1 4.29Å; L321-I323 HydrophobicContact CB-CG1 4.24Å; I323-L325 PolarHBondContact O-N 3.13Å; I323-V328 HydrophobicContact CG2-CG2 3.55Å; I323-V361 HydrophobicContact CD1-CG2 4.48Å; I323-F368 HydrophobicContact CG2-CD1 4.45Å; I323-F368 HydrophobicContact CG2-CE1 3.66Å; I323-F368 HydrophobicContact CG2-CZ 3.82Å
324S98.3Very high96.9Very high2 Ų232.8 Ų32.81%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-71.5124.3176.4174.20000110.7E266 A326 A327 V328E266-S324 PolarHBondContact O-N 2.91Å; S324-A326 VanDerWaalsContact C-N 3.31Å; S324-A326 PolarHBondContact O-N 3.11Å; S324-A327 PolarHBondContact O-N 3Å; S324-V328 WeakPolarHBondContact O-CG2 3.16Å; S324-V328 PolarHBondContact O-N 2.91Å
325L98.1Very high97Very high0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-60.3-41.1178.3-75.6163.4000111.8F219 L225 F228 I229 K233 E234 I236 I323 A327 V328 K329F219-L325 HydrophobicContact CE1-CD2 3.73Å; F219-L325 HydrophobicContact CZ-CD2 4.38Å; L225-L325 HydrophobicContact CD1-CB 4.38Å; L225-L325 HydrophobicContact CD1-CD2 3.39Å; F228-L325 HydrophobicContact CB-CD1 4.29Å; I229-L325 HydrophobicContact CD1-CB 4.1Å; I229-L325 HydrophobicContact CG1-CB 3.75Å; I229-L325 HydrophobicContact CG1-CD1 4.48Å; K233-L325 HydrophobicContact CB-CD1 3.63Å; K233-L325 WeakPolarHBondContact O-CD1 3.42Å; E234-L325 PolarHBondContact O-N 2.99Å; I236-L325 HydrophobicContact CG2-CD1 4.41Å; I236-L325 HydrophobicContact CG2-CD2 3.54Å; I236-L325 HydrophobicContact CG2-CG 3.98Å; I323-L325 PolarHBondContact O-N 3.13Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.96Å; L325-V328 PolarHBondContact O-N 3.31Å; L325-K329 PolarHBondContact O-N 2.86Å
326A97.4Very high97.1Very high57 Ų5732.5 Ų32.547%0.47117%0.17SC..Hα-helixtrans-63.6-38.2178.600000112.3S324 R330S324-A326 VanDerWaalsContact C-N 3.31Å; S324-A326 PolarHBondContact O-N 3.11Å; A326-R330 WeakPolarHBondContact O-CB 3.41Å; A326-R330 PolarHBondContact O-N 3.37Å; A326-R330 VanDerWaalsContact O-N 3.07Å
327A97.9Very high97.1Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-70.3-40.4177.300000111.4E266 S324 L325 K329 R330 L331 F368E266-A327 HydrophobicContact CB-CB 3.79Å; E266-A327 HydrophobicContact CG-CB 3.98Å; S324-A327 PolarHBondContact O-N 3Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.96Å; A327-K329 PolarHBondContact O-N 3.13Å; A327-R330 PolarHBondContact O-N 3.02Å; A327-L331 WeakPolarHBondContact O-CB 3.28Å; A327-L331 VanDerWaalsContact O-CG 3.26Å; A327-L331 WeakPolarHBondContact O-CG 3.38Å; A327-L331 PolarHBondContact O-N 3.2Å; A327-F368 HydrophobicContact CB-CD1 3.8Å; A327-F368 HydrophobicContact CB-CE1 3.82Å
328V98.1Very high97Very high1 Ų135.1 Ų35.11%0.00618%0.184CC..Hα-helixtrans-57.6-49.9173.7172.80000110.5Y216 L225 I323 S324 L325 R330 L331 Q332 F368Y216-V328 HydrophobicContact CD1-CG1 4.15Å; Y216-V328 HydrophobicContact CD1-CG2 4.16Å; Y216-V328 HydrophobicContact CE1-CG2 4.34Å; L225-V328 HydrophobicContact CD1-CB 4.33Å; L225-V328 HydrophobicContact CD1-CG1 4.09Å; L225-V328 HydrophobicContact CD2-CG1 4.22Å; I323-V328 HydrophobicContact CG2-CG2 3.55Å; S324-V328 WeakPolarHBondContact O-CG2 3.16Å; S324-V328 PolarHBondContact O-N 2.91Å; L325-V328 PolarHBondContact O-N 3.31Å; V328-R330 PolarHBondContact O-N 3.44Å; V328-L331 PolarHBondContact O-N 2.82Å; V328-Q332 WeakPolarHBondContact O-CB 3.24Å; V328-Q332 PolarHBondContact O-N 2.68Å; V328-F368 HydrophobicContact CG2-CE1 4.18Å; V328-F368 HydrophobicContact CG2-CZ 4.15Å
329K98.1Very high96.9Very high62 Ų6236 Ų3627%0.2719%0.188SC..Hα-helixtrans-57.4-53178.7-175.6167.6-179.61650111.7L225 D226 I229 L325 A327 L331 Q332 E333L225-K329 HydrophobicContact CD2-CB 3.81Å; L225-K329 HydrophobicContact CD2-CG 4.32Å; D226-K329 WeakPolarHBondContact OD1-CE 3.42Å; D226-K329 IonicContact OD1-NZ 2.67Å; D226-K329 PolarHBondContact OD1-NZ 3.1Å; I229-K329 HydrophobicContact CD1-CB 4.16Å; I229-K329 HydrophobicContact CD1-CD 4Å; L325-K329 PolarHBondContact O-N 2.86Å; A327-K329 PolarHBondContact O-N 3.13Å; K329-L331 PolarHBondContact O-N 3.07Å; K329-Q332 PolarHBondContact O-N 2.88Å; K329-E333 WeakPolarHBondContact CE-OE1 3.41Å; K329-E333 HydrophobicContact CG-CG 4.43Å; K329-E333 WeakPolarHBondContact CG-OE1 3.43Å; K329-E333 IonicContact NZ-OE1 3.98Å; K329-E333 WeakPolarHBondContact O-CB 3.43Å; K329-E333 WeakPolarHBondContact O-CG 3.26Å; K329-E333 PolarHBondContact O-N 3.27Å
330R98.2Very high96.7Very high86 Ų8635.6 Ų35.633%0.32519%0.186SC..Hα-helixtrans-56.1-49.9179.9-177.3-17368.5-130.1-3.2112.1E266 A326 A327 V328 Q334E266-R330 IonicContact OE1-CZ 2.81Å; E266-R330 VanDerWaalsContact OE1-CZ 3.23Å; E266-R330 IonicContact OE1-NH1 2.73Å; E266-R330 PolarHBondContact OE1-NH1 2.93Å; E266-R330 IonicContact OE1-NH2 3.23Å; E266-R330 PolarHBondContact OE1-NH2 2.87Å; E266-R330 IonicContact OE2-CZ 2.81Å; E266-R330 IonicContact OE2-NH2 3.86Å; E266-R330 PolarHBondContact OE2-NH2 3.24Å; A326-R330 WeakPolarHBondContact O-CB 3.41Å; A326-R330 PolarHBondContact O-N 3.37Å; A326-R330 VanDerWaalsContact O-N 3.07Å; A327-R330 PolarHBondContact O-N 3.02Å; V328-R330 PolarHBondContact O-N 3.44Å; R330-Q334 WeakPolarHBondContact O-CB 3.21Å; R330-Q334 WeakPolarHBondContact O-CG 3.27Å; R330-Q334 PolarHBondContact O-N 2.85Å
331L97.7Very high96.4Very high11 Ų1136.6 Ų36.66%0.05819%0.191CC..Hα-helixtrans-71.9-35.2-176.2-65.9171.4000112.1A327 V328 K329 N335 A336 I337 S367 F368A327-L331 WeakPolarHBondContact O-CB 3.28Å; A327-L331 VanDerWaalsContact O-CG 3.26Å; A327-L331 WeakPolarHBondContact O-CG 3.38Å; A327-L331 PolarHBondContact O-N 3.2Å; V328-L331 PolarHBondContact O-N 2.82Å; K329-L331 PolarHBondContact O-N 3.07Å; L331-N335 PolarHBondContact O-N 2.96Å; L331-N335 VanDerWaalsContact O-N 3.15Å; L331-A336 HydrophobicContact CD2-CB 3.95Å; L331-A336 PolarHBondContact O-N 2.86Å; L331-I337 HydrophobicContact CB-CD1 4.05Å; L331-I337 HydrophobicContact CB-CG1 3.46Å; L331-I337 VanDerWaalsContact CB-CG1 3.46Å; L331-S367 WeakPolarHBondContact CD1-O 3.19Å; L331-F368 HydrophobicContact CD1-CD1 3.63Å; L331-F368 HydrophobicContact CD1-CD2 4.1Å; L331-F368 HydrophobicContact CD1-CE1 3.62Å; L331-F368 HydrophobicContact CD1-CE2 4.07Å; L331-F368 HydrophobicContact CD1-CG 3.88Å; L331-F368 HydrophobicContact CD1-CZ 3.84Å
332Q95.9Very high96Very high39 Ų3939 Ų3918%0.18220%0.203CC..Hα-helixtrans-69.1-44.6178.4-174.562.92600111.6Y220 V328 K329 Q334 N335 I337Y220-Q332 HydrophobicContact CD1-CG 4.25Å; Y220-Q332 HydrophobicContact CD2-CG 4.16Å; Y220-Q332 HydrophobicContact CG-CG 3.86Å; V328-Q332 WeakPolarHBondContact O-CB 3.24Å; V328-Q332 PolarHBondContact O-N 2.68Å; K329-Q332 PolarHBondContact O-N 2.88Å; Q332-Q334 VanDerWaalsContact C-N 3.28Å; Q332-Q334 PolarHBondContact O-N 2.72Å; Q332-N335 PolarHBondContact O-N 3.03Å; Q332-N335 VanDerWaalsContact O-N 3.08Å; Q332-I337 HydrophobicContact CB-CD1 4.23Å
333E95.8Very high95.6Very high101 Ų10142.4 Ų42.447%0.47222%0.224SC..Hα-helixtrans-62.8-35.6176.5-72.5174.4171.100112Y220 K329 N335Y220-E333 HydrophobicContact CE2-CG 4.03Å; K329-E333 WeakPolarHBondContact CE-OE1 3.41Å; K329-E333 HydrophobicContact CG-CG 4.43Å; K329-E333 WeakPolarHBondContact CG-OE1 3.43Å; K329-E333 IonicContact NZ-OE1 3.98Å; K329-E333 WeakPolarHBondContact O-CB 3.43Å; K329-E333 WeakPolarHBondContact O-CG 3.26Å; K329-E333 PolarHBondContact O-N 3.27Å; E333-N335 VanDerWaalsContact C-N 3.27Å; E333-N335 PolarHBondContact O-N 3.31Å
334Q96.2Very high95.3Very high124 Ų12444.9 Ų44.958%0.57924%0.237SC*.THydrogen-bonded Turntrans-79.8-5.4176.5-67.7171.55.400113.5R330 Q332 A336R330-Q334 WeakPolarHBondContact O-CB 3.21Å; R330-Q334 WeakPolarHBondContact O-CG 3.27Å; R330-Q334 PolarHBondContact O-N 2.85Å; Q332-Q334 VanDerWaalsContact C-N 3.28Å; Q332-Q334 PolarHBondContact O-N 2.72Å; Q334-A336 HydrophobicContact CB-CB 4.03Å; Q334-A336 PolarHBondContact O-N 2.94Å
335N93.6Very high95Very high111 Ų11148.1 Ų48.159%0.59426%0.264SS*.THydrogen-bonded Turntrans50.733.3-168.5-57.5-88.5000112.9L331 Q332 E333L331-N335 PolarHBondContact O-N 2.96Å; L331-N335 VanDerWaalsContact O-N 3.15Å; Q332-N335 PolarHBondContact O-N 3.03Å; Q332-N335 VanDerWaalsContact O-N 3.08Å; E333-N335 VanDerWaalsContact C-N 3.27Å; E333-N335 PolarHBondContact O-N 3.31Å
336A95.5Very high94.6Very high44 Ų4452.9 Ų52.936%0.36429%0.285SS..  trans-92.9-3.9-175.600000113.4L331 Q334 D338L331-A336 HydrophobicContact CD2-CB 3.95Å; L331-A336 PolarHBondContact O-N 2.86Å; Q334-A336 HydrophobicContact CB-CB 4.03Å; Q334-A336 PolarHBondContact O-N 2.94Å; A336-D338 PolarHBondContact O-N 3.2Å; A336-D338 VanDerWaalsContact O-N 3.16Å
337I95.5Very high94.3Very high22 Ų2254.2 Ų54.211%0.11329%0.287CS..  trans-72.6107.4175.2-58.9-176.6000109Y216 L331 Q332 M339 A364Y216-I337 HydrophobicContact CD1-CD1 4Å; Y216-I337 HydrophobicContact CD2-CD1 4.37Å; Y216-I337 HydrophobicContact CD2-CG2 4Å; Y216-I337 HydrophobicContact CE2-CG2 4.34Å; Y216-I337 HydrophobicContact CG-CD1 3.75Å; Y216-I337 HydrophobicContact CG-CG2 4.42Å; L331-I337 HydrophobicContact CB-CD1 4.05Å; L331-I337 HydrophobicContact CB-CG1 3.46Å; L331-I337 VanDerWaalsContact CB-CG1 3.46Å; Q332-I337 HydrophobicContact CB-CD1 4.23Å; I337-M339 HydrophobicContact CG2-CE 4.22Å; I337-M339 HydrophobicContact CG2-CG 4.29Å; I337-M339 HydrophobicContact CG2-SD 4.47Å; I337-A364 HydrophobicContact CG2-CB 3.99Å
338D93.3Very high93.7Very high61 Ų6155.2 Ų55.233%0.32629%0.292SS..  trans-105.3134174.7-175.536.8000111.5R53 A336 K366 S367R53-D338 IonicContact CZ-OD1 3.89Å; R53-D338 IonicContact NH1-OD1 3.56Å; R53-D338 PolarHBondContact NH1-OD1 3.21Å; R53-D338 VanDerWaalsContact NH1-OD1 3.15Å; R53-D338 IonicContact NH2-OD1 3.58Å; R53-D338 PolarHBondContact NH2-OD1 3.17Å; A336-D338 PolarHBondContact O-N 3.2Å; A336-D338 VanDerWaalsContact O-N 3.16Å; D338-K366 WeakPolarHBondContact O-CE 3.43Å; D338-K366 IonicContact OD1-NZ 3.64Å; D338-K366 WeakPolarHBondContact OD2-CE 3.23Å; D338-K366 IonicContact OD2-NZ 3.95Å; D338-K366 PolarHBondContact OD2-NZ 3.14Å; D338-S367 PolarHBondContact N-OG 2.99Å; D338-S367 PolarHBondContact O-OG 2.64Å
339M94.5Very high92.5Very high22 Ų2262.2 Ų62.211%0.10833%0.33CS..  trans-142.5141.4-178.9-65.5-180-72.400108.4R53 Y216 I337 T359 A360 A363 A364R53-M339 PolarHBondContact NH2-O 3.19Å; Y216-M339 HydrophobicContact CD2-CE 4.16Å; Y216-M339 HydrophobicContact CD2-SD 4.02Å; Y216-M339 HydrophobicContact CE2-SD 3.77Å; I337-M339 HydrophobicContact CG2-CE 4.22Å; I337-M339 HydrophobicContact CG2-CG 4.29Å; I337-M339 HydrophobicContact CG2-SD 4.47Å; M339-T359 HydrophobicContact CB-CG2 4.14Å; M339-T359 HydrophobicContact CE-CG2 4.31Å; M339-A360 VanDerWaalsContact SD-O 3.33Å; M339-A363 HydrophobicContact CB-CB 4.06Å; M339-A363 HydrophobicContact CG-CB 4.22Å; M339-A364 HydrophobicContact CG-CB 3.79Å; M339-A364 HydrophobicContact SD-CB 4.1Å
340E91.8Very high91.4Very high5 Ų563.1 Ų63.12%0.02336%0.357CS..PPolyproline II helixtrans-68.1142.5174.2-66.174.5-160.100111.5R292 A363 K366R292-E340 IonicContact CZ-OE1 2.96Å; R292-E340 IonicContact NE-OE1 3.38Å; R292-E340 PolarHBondContact NE-OE1 3.27Å; R292-E340 IonicContact NH2-OE1 2.68Å; R292-E340 PolarHBondContact NH2-OE1 2.98Å; E340-A363 VanDerWaalsContact OE2-CB 3.29Å; E340-A363 WeakPolarHBondContact OE2-CB 3.37Å; E340-K366 WeakPolarHBondContact OE1-CE 3.45Å; E340-K366 IonicContact OE1-NZ 3.74Å; E340-K366 PolarHBondContact OE1-NZ 3.2Å; E340-K366 IonicContact OE2-NZ 2.71Å
341I92Very high90.7Very high20 Ų2061.4 Ų61.410%0.10337%0.366CS..EExtended strand (participates in β ladder)trans-79.1128.9177.5-55.6179.3000109.2L50 R53 F54 V343 L357L50-I341 HydrophobicContact CD1-CD1 3.97Å; L50-I341 HydrophobicContact CD1-CG1 3.83Å; L50-I341 HydrophobicContact CD1-CG2 4.43Å; R53-I341 HydrophobicContact CB-CD1 3.68Å; F54-I341 HydrophobicContact CB-CD1 3.9Å; F54-I341 VanDerWaalsContact N-CD1 3.31Å; I341-V343 HydrophobicContact CG2-CG2 4.18Å; I341-L357 HydrophobicContact CG2-CB 4.41Å; I341-L357 HydrophobicContact CG2-CD2 4.22Å
342I90.6Very high90.3Very high50 Ų5064.1 Ų64.126%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-102.5119.3173.7-58.2173.5000107.6E358 A360I342-E358 HydrophobicContact CB-CB 4.4Å; I342-E358 PolarHBondContact N-O 2.59Å; I342-E358 PolarHBondContact O-N 2.93Å; I342-A360 HydrophobicContact CD1-CB 3.87Å
343V91.5Very high90.2Very high72 Ų7265.5 Ų65.544%0.43639%0.388SS..EExtended strand (participates in β ladder)trans-102103-178.6-172.80000108.9F54 I341 I355 L357F54-V343 HydrophobicContact CD2-CG2 3.92Å; F54-V343 HydrophobicContact CE2-CG1 4.37Å; F54-V343 HydrophobicContact CE2-CG2 3.77Å; I341-V343 HydrophobicContact CG2-CG2 4.18Å; V343-I355 HydrophobicContact CG1-CG2 3.46Å; V343-I355 VanDerWaalsContact CG1-CG2 3.46Å; V343-L357 HydrophobicContact CB-CD2 4.48Å; V343-L357 HydrophobicContact CG1-CD2 4.21Å; V343-L357 HydrophobicContact CG2-CD2 3.97Å
344N91.4Very high90.1Very high53 Ų5360.7 Ų60.728%0.28337%0.366SS..EExtended strand (participates in β ladder)trans-97.1115.8179-72.6-31000110I355 Q356 E358N344-I355 CarbonylContact O-C 3.51Å; N344-I355 WeakPolarHBondContact O-CA 3.41Å; N344-Q356 HydrophobicContact CB-CB 4.11Å; N344-Q356 PolarHBondContact N-O 2.7Å; N344-Q356 PolarHBondContact O-N 3.04Å; N344-E358 PolarHBondContact ND2-OE1 3.04Å; N344-E358 PolarHBondContact ND2-OE2 3.09Å
345A91.8Very high90Very high69 Ų6955.5 Ų55.557%0.5734%0.342SS*.EExtended strand (participates in β ladder)trans-90.2131.6172.600000110.5V354A345-V354 WeakPolarHBondContact CA-O 3.48Å
346K90.4Very high90.1Very high101 Ų10150.3 Ų50.344%0.43931%0.314SS..EExtended strand (participates in β ladder)trans-136.8160.5176.7-70.5-177-178.5155.40110.6V354K346-V354 HydrophobicContact CB-CG2 4.14Å; K346-V354 PolarHBondContact N-O 2.81Å; K346-V354 WeakPolarHBondContact O-CG2 3.39Å; K346-V354 PolarHBondContact O-N 3.09Å; K346-V354 VanDerWaalsContact O-O 3.13Å
347T89.9Confident90Very high85 Ų8548.2 Ų48.252%0.52130%0.297SS..EExtended strand (participates in β ladder)trans-115.4124.6171.1-52.80000107.4L352 N353T347-L352 WeakPolarHBondContact CA-O 3.31Å; T347-N353 PolarHBondContact OG1-OD1 3.36Å
348L85.9Confident90Very high21 Ų2148.9 Ų48.911%0.1130%0.299CS..  trans-78.6165.3179.5-57.1-170.2000111.6E205 G350 G351 L352 V354E205-L348 HydrophobicContact CB-CD1 4.4Å; L348-G350 PolarHBondContact O-N 2.94Å; L348-G351 PolarHBondContact O-N 2.84Å; L348-L352 HydrophobicContact CB-CB 4.45Å; L348-L352 HydrophobicContact CD1-CD2 4.46Å; L348-L352 PolarHBondContact N-O 2.9Å; L348-V354 HydrophobicContact CD1-CG1 3.84Å; L348-V354 HydrophobicContact CD1-CG2 4.39Å; L348-V354 HydrophobicContact CD2-CG2 3.73Å; L348-V354 HydrophobicContact CG-CG1 3.91Å; L348-V354 HydrophobicContact CG-CG2 3.84Å
349D72.4Confident90.1Very high148 Ų14846.6 Ų46.679%0.79129%0.288SS*.THydrogen-bonded Turntrans-68.294.4175.1-73.9-6.1000108.4
350G75.8Confident90.1Very high81 Ų8145.8 Ų45.884%0.83529%0.285SS*.THydrogen-bonded Turntrans140.5-4.8-166.600000113.9L348 L352L348-G350 PolarHBondContact O-N 2.94Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.13Å
351G83.8Confident90.3Very high50 Ų5045.5 Ų45.552%0.51528%0.283SS..SBendtrans82.62.3176.100000114.2L348 N353L348-G351 PolarHBondContact O-N 2.84Å; G351-N353 PolarHBondContact O-N 2.78Å
352L88Confident90.5Very high68 Ų6844.6 Ų44.636%0.35628%0.279SS..  trans-71.8119.5178.6-169.368.8000110.5N186 V193 T347 L348 G350 V354N186-L352 WeakPolarHBondContact ND2-CD1 3.36Å; V193-L352 HydrophobicContact CG1-CD2 3.96Å; V193-L352 HydrophobicContact CG2-CD2 4.17Å; T347-L352 WeakPolarHBondContact CA-O 3.31Å; L348-L352 HydrophobicContact CB-CB 4.45Å; L348-L352 HydrophobicContact CD1-CD2 4.46Å; L348-L352 PolarHBondContact N-O 2.9Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.13Å; L352-V354 HydrophobicContact CD2-CG1 4.04Å; L352-V354 HydrophobicContact CG-CG1 4.09Å
353N94Very high90.8Very high67 Ų6742.3 Ų42.336%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-81.4122.5175.2-68.2-47.9000110.5K187 T347 G351K187-N353 HydrophobicContact CB-CB 4Å; K187-N353 WeakPolarHBondContact CB-O 3.39Å; K187-N353 HydrophobicContact CD-CB 4.08Å; K187-N353 PolarHBondContact N-O 3.47Å; T347-N353 PolarHBondContact OG1-OD1 3.36Å; G351-N353 PolarHBondContact O-N 2.78Å
354V94.4Very high91Very high0 Ų038.9 Ų38.90%025%0.247CC..EExtended strand (participates in β ladder)trans-126.9159-176.9-59.80000112.1R184 I185 V193 A345 K346 L348 L352R184-V354 HydrophobicContact CB-CB 4.38Å; I185-V354 CarbonylContact O-C 3.58Å; I185-V354 WeakPolarHBondContact O-CA 3.46Å; I185-V354 WeakPolarHBondContact O-CB 3.35Å; V193-V354 HydrophobicContact CG2-CG1 3.92Å; A345-V354 WeakPolarHBondContact CA-O 3.48Å; K346-V354 HydrophobicContact CB-CG2 4.14Å; K346-V354 PolarHBondContact N-O 2.81Å; K346-V354 WeakPolarHBondContact O-CG2 3.39Å; K346-V354 PolarHBondContact O-N 3.09Å; K346-V354 VanDerWaalsContact O-O 3.13Å; L348-V354 HydrophobicContact CD1-CG1 3.84Å; L348-V354 HydrophobicContact CD1-CG2 4.39Å; L348-V354 HydrophobicContact CD2-CG2 3.73Å; L348-V354 HydrophobicContact CG-CG1 3.91Å; L348-V354 HydrophobicContact CG-CG2 3.84Å; L352-V354 HydrophobicContact CD2-CG1 4.04Å; L352-V354 HydrophobicContact CG-CG1 4.09Å
355I94.4Very high91.3Very high16 Ų1636.4 Ų36.48%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-118.3140175.1-60.1173.2000108.8I185 K187 L190 V343 N344 L357I185-I355 HydrophobicContact CB-CB 4.46Å; I185-I355 PolarHBondContact N-O 3.46Å; I185-I355 PolarHBondContact O-N 2.79Å; K187-I355 HydrophobicContact CB-CD1 4.25Å; K187-I355 HydrophobicContact CB-CG1 4.07Å; K187-I355 HydrophobicContact CG-CD1 4.04Å; K187-I355 HydrophobicContact CG-CG1 4.14Å; L190-I355 HydrophobicContact CD2-CD1 4.1Å; V343-I355 HydrophobicContact CG1-CG2 3.46Å; V343-I355 VanDerWaalsContact CG1-CG2 3.46Å; N344-I355 CarbonylContact O-C 3.51Å; N344-I355 WeakPolarHBondContact O-CA 3.41Å; I355-L357 HydrophobicContact CG2-CD2 3.91Å
356Q94.9Very high91.5Very high2 Ų234.4 Ų34.41%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-119130.6171.8-68.3173-1600108.1R184 Y208 N344R184-Q356 HydrophobicContact CG-CG 4.07Å; Y208-Q356 HydrophobicContact CD1-CB 4.48Å; Y208-Q356 HydrophobicContact CD1-CG 3.97Å; Y208-Q356 HydrophobicContact CD2-CB 3.73Å; Y208-Q356 HydrophobicContact CD2-CG 3.8Å; Y208-Q356 HydrophobicContact CE1-CB 4.44Å; Y208-Q356 HydrophobicContact CE1-CG 4.3Å; Y208-Q356 HydrophobicContact CE2-CB 3.68Å; Y208-Q356 HydrophobicContact CE2-CG 4.16Å; Y208-Q356 HydrophobicContact CG-CB 4.17Å; Y208-Q356 HydrophobicContact CG-CG 3.72Å; N344-Q356 HydrophobicContact CB-CB 4.11Å; N344-Q356 PolarHBondContact N-O 2.7Å; N344-Q356 PolarHBondContact O-N 3.04Å
357L94.6Very high91.8Very high0 Ų030.4 Ų30.40%020%0.197CC..EExtended strand (participates in β ladder)trans-104.9113.5177.1-57-177.7000108.2L50 F51 F54 I185 Y208 I341 V343 I355L50-L357 HydrophobicContact CD2-CB 3.67Å; L50-L357 WeakPolarHBondContact CD2-O 3.29Å; L50-L357 HydrophobicContact CG-CB 4.11Å; F51-L357 HydrophobicContact CB-CD1 4.5Å; F51-L357 HydrophobicContact CD2-CD1 3.95Å; F54-L357 HydrophobicContact CB-CD1 3.93Å; F54-L357 HydrophobicContact CB-CD2 4.49Å; F54-L357 HydrophobicContact CD1-CD1 4.22Å; F54-L357 HydrophobicContact CD2-CD2 3.85Å; F54-L357 HydrophobicContact CE2-CD2 4.2Å; F54-L357 HydrophobicContact CG-CD1 4.02Å; F54-L357 HydrophobicContact CG-CD2 4.02Å; I185-L357 HydrophobicContact CD1-CD1 3.84Å; I185-L357 HydrophobicContact CD1-CG 4.13Å; Y208-L357 VanDerWaalsContact CE2-O 3.32Å; Y208-L357 WeakPolarHBondContact CE2-O 3.49Å; Y208-L357 PolarHBondContact OH-N 2.82Å; Y208-L357 PolarHBondContact OH-O 2.79Å; I341-L357 HydrophobicContact CG2-CB 4.41Å; I341-L357 HydrophobicContact CG2-CD2 4.22Å; V343-L357 HydrophobicContact CB-CD2 4.48Å; V343-L357 HydrophobicContact CG1-CD2 4.21Å; V343-L357 HydrophobicContact CG2-CD2 3.97Å; I355-L357 HydrophobicContact CG2-CD2 3.91Å
358E94.6Very high92.1Very high35 Ų3526.4 Ų26.416%0.16417%0.172CC..EExtended strand (participates in β ladder)trans-124.7166.9-175.9-63.3177.3-14600110.5Y208 P210 I342 N344Y208-E358 HydrophobicContact CD2-CG 4.17Å; Y208-E358 HydrophobicContact CE2-CG 3.84Å; P210-E358 WeakPolarHBondContact O-CA 3.35Å; I342-E358 HydrophobicContact CB-CB 4.4Å; I342-E358 PolarHBondContact N-O 2.59Å; I342-E358 PolarHBondContact O-N 2.93Å; N344-E358 PolarHBondContact ND2-OE1 3.04Å; N344-E358 PolarHBondContact ND2-OE2 3.09Å
359T95Very high92.6Very high13 Ų1329.8 Ų29.88%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-132.5157.6171.555.40000111L50 P210 G213 M339L50-T359 HydrophobicContact CD1-CG2 3.99Å; P210-T359 PolarHBondContact O-N 3.16Å; P210-T359 VanDerWaalsContact O-N 3.14Å; G213-T359 WeakPolarHBondContact CA-O 3.34Å; G213-T359 WeakPolarHBondContact CA-OG1 3.33Å; G213-T359 PolarHBondContact N-O 2.93Å; M339-T359 HydrophobicContact CB-CG2 4.14Å; M339-T359 HydrophobicContact CE-CG2 4.31Å
360A94.5Very high93.6Very high5 Ų526.7 Ų26.74%0.04117%0.17CC..  trans-103.7136.9179.200000112.3H212 M339 I342 G362 A363H212-A360 WeakPolarHBondContact CE1-CA 3.5Å; H212-A360 WeakPolarHBondContact ND1-CA 3.43Å; M339-A360 VanDerWaalsContact SD-O 3.33Å; I342-A360 HydrophobicContact CD1-CB 3.87Å; A360-G362 VanDerWaalsContact C-N 3.31Å; A360-G362 PolarHBondContact O-N 3.48Å; A360-A363 HydrophobicContact CB-CB 4.09Å; A360-A363 VanDerWaalsContact O-CB 3.26Å; A360-A363 WeakPolarHBondContact O-CB 3.4Å; A360-A363 PolarHBondContact O-N 3.48Å; A360-A363 VanDerWaalsContact O-N 3.11Å
361V96.8Very high94.5Very high0 Ų023.8 Ų23.80%014%0.138CC..G310 helixtrans-64.9-40.1-177.858.30000110.6H212 I215 Y216 N319 L321 I323 A363 A364H212-V361 HydrophobicContact CB-CG1 4.47Å; H212-V361 PolarHBondContact CE1-N 3.27Å; H212-V361 VanDerWaalsContact CE1-N 3.32Å; H212-V361 WeakPolarHBondContact ND1-CG1 3.47Å; H212-V361 PolarHBondContact ND1-N 3.31Å; I215-V361 HydrophobicContact CG2-CB 4.18Å; I215-V361 HydrophobicContact CG2-CG2 3.59Å; Y216-V361 HydrophobicContact CE2-CG2 4.14Å; Y216-V361 VanDerWaalsContact OH-CG2 3.26Å; Y216-V361 WeakPolarHBondContact OH-CG2 3.45Å; Y216-V361 PolarHBondContact OH-O 2.86Å; N319-V361 WeakPolarHBondContact OD1-CG1 3.2Å; L321-V361 HydrophobicContact CD1-CB 4.17Å; L321-V361 HydrophobicContact CD1-CG1 3.57Å; L321-V361 HydrophobicContact CD1-CG2 3.66Å; I323-V361 HydrophobicContact CD1-CG2 4.48Å; V361-A363 VanDerWaalsContact C-N 3.26Å; V361-A363 PolarHBondContact O-N 3.03Å; V361-A364 WeakPolarHBondContact O-CB 3.49Å; V361-A364 PolarHBondContact O-N 3.3Å
362G95.9Very high95.1Very high0 Ų022 Ų220%012%0.116CC..G310 helixtrans-68.3-20.9176.900000114.3M269 A360 A364 I365M269-G362 WeakPolarHBondContact CE-O 3.44Å; A360-G362 VanDerWaalsContact C-N 3.31Å; A360-G362 PolarHBondContact O-N 3.48Å; G362-A364 PolarHBondContact O-N 3.35Å; G362-I365 WeakPolarHBondContact O-CB 3.22Å; G362-I365 VanDerWaalsContact O-CG2 3.22Å; G362-I365 WeakPolarHBondContact O-CG2 3.29Å; G362-I365 PolarHBondContact O-N 3.5Å
363A95.8Very high95.6Very high3 Ų318.8 Ų18.83%0.02510%0.099CC..G310 helixtrans-65.8-27.5177.100000112.2M339 E340 A360 V361 I365M339-A363 HydrophobicContact CB-CB 4.06Å; M339-A363 HydrophobicContact CG-CB 4.22Å; E340-A363 VanDerWaalsContact OE2-CB 3.29Å; E340-A363 WeakPolarHBondContact OE2-CB 3.37Å; A360-A363 HydrophobicContact CB-CB 4.09Å; A360-A363 VanDerWaalsContact O-CB 3.26Å; A360-A363 WeakPolarHBondContact O-CB 3.4Å; A360-A363 PolarHBondContact O-N 3.48Å; A360-A363 VanDerWaalsContact O-N 3.11Å; V361-A363 VanDerWaalsContact C-N 3.26Å; V361-A363 PolarHBondContact O-N 3.03Å; A363-I365 PolarHBondContact O-N 3.36Å; A363-I365 VanDerWaalsContact O-N 3.15Å
364A97Very high95.7Very high0 Ų015.6 Ų15.60%08%0.082CC..G310 helixtrans-66.8-14.4-179.100000113.5Y216 I337 M339 V361 G362 K366 S367 F368Y216-A364 HydrophobicContact CE2-CB 3.53Å; Y216-A364 WeakPolarHBondContact OH-CB 3.36Å; I337-A364 HydrophobicContact CG2-CB 3.99Å; M339-A364 HydrophobicContact CG-CB 3.79Å; M339-A364 HydrophobicContact SD-CB 4.1Å; V361-A364 WeakPolarHBondContact O-CB 3.49Å; V361-A364 PolarHBondContact O-N 3.3Å; G362-A364 PolarHBondContact O-N 3.35Å; A364-K366 PolarHBondContact O-N 2.96Å; A364-S367 VanDerWaalsContact O-CB 3.32Å; A364-S367 WeakPolarHBondContact O-CB 3.47Å; A364-S367 PolarHBondContact O-N 2.89Å; A364-S367 PolarHBondContact O-OG 3.16Å; A364-F368 HydrophobicContact CB-CE2 3.99Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.43Å
365I97.3Very high95.9Very high0 Ų017.2 Ų17.20%09%0.091CC..G310 helixtrans-51.4-31.4-175.9-168.9167.4000113.8F267 M269 L284 L293 G362 A363 S367 F368F267-I365 HydrophobicContact CB-CG1 4.45Å; F267-I365 HydrophobicContact CD1-CB 3.89Å; F267-I365 HydrophobicContact CD1-CD1 3.65Å; F267-I365 HydrophobicContact CD1-CG1 3.48Å; F267-I365 VanDerWaalsContact CD1-CG1 3.48Å; F267-I365 HydrophobicContact CE1-CB 3.8Å; F267-I365 HydrophobicContact CE1-CD1 3.89Å; F267-I365 HydrophobicContact CE1-CG1 3.86Å; F267-I365 HydrophobicContact CG-CB 4.38Å; F267-I365 HydrophobicContact CG-CG1 4.05Å; F267-I365 HydrophobicContact CZ-CB 4.2Å; M269-I365 HydrophobicContact CB-CD1 4.05Å; M269-I365 HydrophobicContact CE-CD1 4.43Å; L284-I365 HydrophobicContact CD1-CD1 4.03Å; L284-I365 HydrophobicContact CD1-CG2 4.33Å; L293-I365 HydrophobicContact CB-CG2 4.42Å; G362-I365 WeakPolarHBondContact O-CB 3.22Å; G362-I365 VanDerWaalsContact O-CG2 3.22Å; G362-I365 WeakPolarHBondContact O-CG2 3.29Å; G362-I365 PolarHBondContact O-N 3.5Å; A363-I365 PolarHBondContact O-N 3.36Å; A363-I365 VanDerWaalsContact O-N 3.15Å; I365-S367 PolarHBondContact O-N 3.34Å; I365-F368 PolarHBondContact O-N 3.44Å
366K95.4Very high96Very high28 Ų2816.6 Ų16.612%0.1229%0.088CC..G310 helixtrans-65.7-22.8177.165.3-178.8171.7171.70113.9K290 L291 R292 D338 E340 A364K290-K366 VanDerWaalsContact CD-O 3.22Å; K290-K366 WeakPolarHBondContact CD-O 3.33Å; L291-K366 WeakPolarHBondContact O-CA 3.38Å; R292-K366 HydrophobicContact CG-CB 4.47Å; R292-K366 HydrophobicContact CG-CD 4.27Å; D338-K366 WeakPolarHBondContact O-CE 3.43Å; D338-K366 IonicContact OD1-NZ 3.64Å; D338-K366 WeakPolarHBondContact OD2-CE 3.23Å; D338-K366 IonicContact OD2-NZ 3.95Å; D338-K366 PolarHBondContact OD2-NZ 3.14Å; E340-K366 WeakPolarHBondContact OE1-CE 3.45Å; E340-K366 IonicContact OE1-NZ 3.74Å; E340-K366 PolarHBondContact OE1-NZ 3.2Å; E340-K366 IonicContact OE2-NZ 2.71Å; A364-K366 PolarHBondContact O-N 2.96Å
367S96.9Very high96.1Very high17 Ų1718.6 Ų18.612%0.11910%0.101CC..G310 helixtrans-87.2-11.3-177.9-51.70000112.8L331 D338 A364 I365L331-S367 WeakPolarHBondContact CD1-O 3.19Å; D338-S367 PolarHBondContact N-OG 2.99Å; D338-S367 PolarHBondContact O-OG 2.64Å; A364-S367 VanDerWaalsContact O-CB 3.32Å; A364-S367 WeakPolarHBondContact O-CB 3.47Å; A364-S367 PolarHBondContact O-N 2.89Å; A364-S367 PolarHBondContact O-OG 3.16Å; I365-S367 PolarHBondContact O-N 3.34Å
368F97.4Very high95.9Very high1 Ų122.5 Ų22.50%0.00412%0.116CC..SBendtrans-97.7149-178.3-71.3-96.5000111.6Y216 E266 F267 I323 A327 V328 L331 A364 I365Y216-F368 HydrophobicContact CE1-CE2 4.39Å; Y216-F368 HydrophobicContact CE1-CZ 4.07Å; E266-F368 HydrophobicContact CB-CB 4.22Å; E266-F368 HydrophobicContact CB-CD1 3.91Å; F267-F368 HydrophobicContact CB-CB 3.6Å; F267-F368 HydrophobicContact CB-CD1 4.12Å; F267-F368 HydrophobicContact CB-CD2 4.12Å; F267-F368 HydrophobicContact CB-CG 3.69Å; F267-F368 HydrophobicContact CD2-CD1 4.24Å; F267-F368 AromaticContact CD2-CD2 3.43Å; F267-F368 HydrophobicContact CD2-CD2 3.43Å; F267-F368 VanDerWaalsContact CD2-CD2 3.43Å; F267-F368 HydrophobicContact CD2-CE1 4.31Å; F267-F368 AromaticContact CD2-CE2 3.54Å; F267-F368 HydrophobicContact CD2-CE2 3.54Å; F267-F368 AromaticContact CD2-CG 3.82Å; F267-F368 HydrophobicContact CD2-CG 3.82Å; F267-F368 AromaticContact CD2-CZ 3.99Å; F267-F368 HydrophobicContact CD2-CZ 3.99Å; F267-F368 HydrophobicContact CE2-CD2 4.16Å; F267-F368 AromaticContact CE2-CE2 3.96Å; F267-F368 HydrophobicContact CE2-CE2 3.96Å; F267-F368 HydrophobicContact CG-CB 4.43Å; F267-F368 HydrophobicContact CG-CD2 4.12Å; F267-F368 HydrophobicContact CG-CG 4.19Å; I323-F368 HydrophobicContact CG2-CD1 4.45Å; I323-F368 HydrophobicContact CG2-CE1 3.66Å; I323-F368 HydrophobicContact CG2-CZ 3.82Å; A327-F368 HydrophobicContact CB-CD1 3.8Å; A327-F368 HydrophobicContact CB-CE1 3.82Å; V328-F368 HydrophobicContact CG2-CE1 4.18Å; V328-F368 HydrophobicContact CG2-CZ 4.15Å; L331-F368 HydrophobicContact CD1-CD1 3.63Å; L331-F368 HydrophobicContact CD1-CD2 4.1Å; L331-F368 HydrophobicContact CD1-CE1 3.62Å; L331-F368 HydrophobicContact CD1-CE2 4.07Å; L331-F368 HydrophobicContact CD1-CG 3.88Å; L331-F368 HydrophobicContact CD1-CZ 3.84Å; A364-F368 HydrophobicContact CB-CE2 3.99Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.43Å; I365-F368 PolarHBondContact O-N 3.44Å
369E95.2Very high95.9Very high92 Ų9225 Ų2543%0.4314%0.137SC..THydrogen-bonded Turntrans-85.6149.6175.4-64.5-57.2143.100111.4E266 K290 S371E266-E369 WeakPolarHBondContact CB-O 3.34Å; E266-E369 WeakPolarHBondContact CG-O 3.5Å; E266-E369 PolarHBondContact N-O 2.98Å; E266-E369 PolarHBondContact OE2-N 3.28Å; K290-E369 IonicContact NZ-OE1 2.68Å; K290-E369 PolarHBondContact NZ-OE1 2.94Å; K290-E369 IonicContact NZ-OE2 2.67Å; E369-S371 PolarHBondContact O-N 2.77Å
370N94Very high96Very high82 Ų8224.8 Ų24.844%0.43914%0.135SC..THydrogen-bonded Turntrans50.341.7-178.1-56.5-36.1000113.1R264 C265R264-N370 WeakPolarHBondContact O-CB 3.21Å; R264-N370 PolarHBondContact O-ND2 3.5Å; C265-N370 WeakPolarHBondContact CA-O 3.44Å; C265-N370 WeakPolarHBondContact CB-O 3.4Å; C265-N370 PolarHBondContact SG-O 2.83Å
371S95.6Very high96Very high21 Ų2126 Ų2615%0.14714%0.139CC..  trans-63.5142.2176.450.10000111.4F267 L291 E369F267-S371 VanDerWaalsContact O-CA 3.31Å; F267-S371 WeakPolarHBondContact O-CA 3.47Å; L291-S371 WeakPolarHBondContact CD1-O 3.24Å; E369-S371 PolarHBondContact O-N 2.77Å
372L96.1Very high95.9Very high12 Ų1227.1 Ų27.16%0.06315%0.145CC..EExtended strand (participates in β ladder)trans-138.1139.2-173.5-175.672.4000111.1Q76 F267 V268 M269 I374Q76-L372 HydrophobicContact CG-CD1 4.28Å; F267-L372 PolarHBondContact O-N 2.98Å; V268-L372 VanDerWaalsContact CA-O 3.26Å; V268-L372 WeakPolarHBondContact CA-O 3.3Å; V268-L372 HydrophobicContact CG1-CB 4.45Å; V268-L372 HydrophobicContact CG2-CB 4.22Å; M269-L372 PolarHBondContact N-O 2.9Å; L372-I374 HydrophobicContact CD2-CG1 4.29Å
373G96.9Very high95.8Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-95.5145.4164.400000111.4S74 I75 Q76 M269S74-G373 PolarHBondContact O-N 2.82Å; I75-G373 CarbonylContact C-O 3.6Å; I75-G373 VanDerWaalsContact CA-O 3.25Å; I75-G373 WeakPolarHBondContact CA-O 3.5Å; Q76-G373 PolarHBondContact N-O 3.32Å; M269-G373 WeakPolarHBondContact O-CA 3.43Å
374I97.4Very high95.7Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-124.2120.6168.5-61172000108.6Q76 I81 I252 V268 M269 E270 V271 L372 V376Q76-I374 CarbonylContact O-C 3.54Å; Q76-I374 WeakPolarHBondContact O-CA 3.32Å; I81-I374 HydrophobicContact CD1-CB 4.17Å; I81-I374 HydrophobicContact CD1-CD1 3.61Å; I81-I374 HydrophobicContact CD1-CG1 3.67Å; I81-I374 HydrophobicContact CD1-CG2 3.43Å; I81-I374 VanDerWaalsContact CD1-CG2 3.43Å; I252-I374 HydrophobicContact CG1-CD1 4.33Å; I252-I374 HydrophobicContact CG2-CD1 3.88Å; V268-I374 HydrophobicContact CG1-CD1 3.45Å; V268-I374 VanDerWaalsContact CG1-CD1 3.45Å; V268-I374 HydrophobicContact CG1-CG1 3.73Å; M269-I374 PolarHBondContact O-N 2.72Å; E270-I374 WeakPolarHBondContact CA-O 3.37Å; V271-I374 WeakPolarHBondContact CG2-O 3.48Å; V271-I374 PolarHBondContact N-O 3.33Å; V271-I374 VanDerWaalsContact O-O 3.1Å; L372-I374 HydrophobicContact CD2-CG1 4.29Å; I374-V376 HydrophobicContact CB-CG1 4.47Å; I374-V376 HydrophobicContact CG2-CG1 3.81Å; I374-V376 PolarHBondContact O-N 3.06Å
375N97.8Very high95.5Very high35 Ų3532.7 Ų32.719%0.18717%0.171CC..EExtended strand (participates in β ladder)trans-79.698.3175.3-1684.1000109.9I75 Q76 Y78 V271 N273I75-N375 HydrophobicContact CG2-CB 4.32Å; Q76-N375 PolarHBondContact O-N 2.83Å; Y78-N375 WeakPolarHBondContact CB-O 3.39Å; Y78-N375 PolarHBondContact N-O 3.2Å; V271-N375 HydrophobicContact CG2-CB 4.26Å; V271-N375 CarbonylContact O-C 3.58Å; V271-N375 VanDerWaalsContact O-CA 3.28Å; V271-N375 WeakPolarHBondContact O-CA 3.33Å; V271-N375 PolarHBondContact O-OD1 2.77Å; N273-N375 PolarHBondContact OD1-ND2 3.18Å
376V97.8Very high95.4Very high3 Ų335.6 Ų35.62%0.01819%0.19CC..  trans-92.2152.6-177.7-62.70000112Y78 I252 E270 V271 T272 T318 I374 R380Y78-V376 HydrophobicContact CD2-CG1 4.15Å; I252-V376 HydrophobicContact CD1-CG1 3.97Å; E270-V376 HydrophobicContact CB-CG1 4.02Å; E270-V376 HydrophobicContact CB-CG2 3.89Å; E270-V376 HydrophobicContact CG-CG1 3.86Å; V271-V376 WeakPolarHBondContact O-CG2 3.22Å; V271-V376 PolarHBondContact O-N 2.93Å; T272-V376 WeakPolarHBondContact CB-O 3.47Å; T272-V376 PolarHBondContact OG1-O 3.31Å; T318-V376 HydrophobicContact CG2-CG2 4.3Å; I374-V376 HydrophobicContact CB-CG1 4.47Å; I374-V376 HydrophobicContact CG2-CG1 3.81Å; I374-V376 PolarHBondContact O-N 3.06Å; V376-R380 HydrophobicContact CB-CB 4.47Å; V376-R380 HydrophobicContact CG2-CB 4.13Å
377P95.5Very high95.4Very high43 Ų4334.6 Ų34.628%0.27919%0.185SC..  trans-62.4151.9170.927.2-36.2000111.4Y78 S379 R380Y78-P377 HydrophobicContact CD1-CG 4.21Å; Y78-P377 HydrophobicContact CE1-CG 4.44Å; P377-S379 WeakPolarHBondContact CG-OG 3.34Å; P377-S379 PolarHBondContact O-N 3.37Å; P377-R380 PolarHBondContact O-N 3.27Å
378R92.1Very high95.3Very high83 Ų8334.3 Ų34.331%0.31318%0.184SC..G310 helixtrans-60.5-17.2178.8178.1166.4-78.4-107.7-7.7113.5D278 R380 F381D278-R378 VanDerWaalsContact CG-NH2 3.3Å; D278-R378 IonicContact OD1-NH1 3Å; D278-R378 IonicContact OD1-NH2 3.96Å; D278-R378 PolarHBondContact OD1-NH2 2.84Å; D278-R378 IonicContact OD2-CZ 3.76Å; D278-R378 IonicContact OD2-NH1 2.78Å; D278-R378 IonicContact OD2-NH2 2.68Å; D278-R378 PolarHBondContact OD2-NH2 3.34Å; R378-R380 PolarHBondContact O-N 2.94Å; R378-R380 VanDerWaalsContact O-N 3.07Å; R378-F381 CarbonylContact O-C 3.51Å; R378-F381 WeakPolarHBondContact O-CA 3.41Å; R378-F381 PolarHBondContact O-N 2.9Å
379S93.7Very high95.2Very high87 Ų8736.5 Ų36.561%0.60820%0.195SC*.G310 helixtrans-54.8-25.1171.255.40000113.2G245 P377G245-S379 WeakPolarHBondContact CA-O 3.36Å; P377-S379 WeakPolarHBondContact CG-OG 3.34Å; P377-S379 PolarHBondContact O-N 3.37Å
380R96.4Very high95.2Very high9 Ų932.1 Ų32.13%0.03418%0.175CC..G310 helixtrans-88.4-4.1175.4-61.9-16955.771.8-0.3114.7N243 G245 T247 D249 E270 N320 V376 P377 R378N243-R380 PolarHBondContact ND2-O 3.16Å; N243-R380 VanDerWaalsContact ND2-O 3.13Å; G245-R380 CarbonylContact C-O 3.56Å; G245-R380 VanDerWaalsContact O-CA 3.31Å; G245-R380 WeakPolarHBondContact O-CA 3.36Å; T247-R380 VanDerWaalsContact O-CZ 3.28Å; T247-R380 PolarHBondContact O-NH1 3.27Å; T247-R380 PolarHBondContact O-NH2 2.98Å; T247-R380 PolarHBondContact OG1-NH1 2.91Å; D249-R380 IonicContact OD2-NH1 2.64Å; E270-R380 IonicContact OE1-CZ 3.58Å; E270-R380 IonicContact OE1-NE 3.5Å; E270-R380 PolarHBondContact OE1-NE 3.02Å; E270-R380 IonicContact OE1-NH2 3.36Å; E270-R380 PolarHBondContact OE1-NH2 3.43Å; E270-R380 IonicContact OE2-CZ 3.85Å; E270-R380 IonicContact OE2-NE 3.32Å; E270-R380 PolarHBondContact OE2-NE 3.48Å; E270-R380 IonicContact OE2-NH2 2.76Å; E270-R380 PolarHBondContact OE2-NH2 2.95Å; N320-R380 PolarHBondContact ND2-O 3.42Å; V376-R380 HydrophobicContact CB-CB 4.47Å; V376-R380 HydrophobicContact CG2-CB 4.13Å; P377-R380 PolarHBondContact O-N 3.27Å; R378-R380 PolarHBondContact O-N 2.94Å; R378-R380 VanDerWaalsContact O-N 3.07Å
381F95.6Very high95.3Very high29 Ų2928.2 Ų28.213%0.12715%0.154CC..  trans-126.282179.8-170.6-107000110.5T272 F316 T318 R378 P383T272-F381 HydrophobicContact CG2-CB 4.26Å; T272-F381 HydrophobicContact CG2-CD1 4.42Å; T272-F381 HydrophobicContact CG2-CG 4.42Å; F316-F381 HydrophobicContact CE2-CD1 4.05Å; F316-F381 AromaticContact CE2-CE1 3.45Å; F316-F381 HydrophobicContact CE2-CE1 3.45Å; F316-F381 VanDerWaalsContact CE2-CE1 3.45Å; F316-F381 HydrophobicContact CE2-CE2 4.21Å; F316-F381 AromaticContact CE2-CZ 3.52Å; F316-F381 HydrophobicContact CE2-CZ 3.52Å; F316-F381 AromaticContact CZ-CD1 3.6Å; F316-F381 HydrophobicContact CZ-CD1 3.6Å; F316-F381 AromaticContact CZ-CE1 3.35Å; F316-F381 HydrophobicContact CZ-CE1 3.35Å; F316-F381 HydrophobicContact CZ-CG 4.37Å; F316-F381 AromaticContact CZ-CZ 3.94Å; F316-F381 HydrophobicContact CZ-CZ 3.94Å; T318-F381 HydrophobicContact CG2-CB 4.04Å; T318-F381 HydrophobicContact CG2-CD2 3.9Å; T318-F381 HydrophobicContact CG2-CG 4.1Å; T318-F381 WeakPolarHBondContact O-CE2 3.22Å; R378-F381 CarbonylContact O-C 3.51Å; R378-F381 WeakPolarHBondContact O-CA 3.41Å; R378-F381 PolarHBondContact O-N 2.9Å; F381-P383 HydrophobicContact CD1-CG 4.24Å; F381-P383 HydrophobicContact CE1-CG 3.71Å; F381-P383 HydrophobicContact CE2-CG 4.13Å; F381-P383 HydrophobicContact CZ-CG 3.67Å; F381-P383 WeakPolarHBondContact O-CD 3.39Å
382L94.2Very high95.3Very high24 Ų2427.9 Ų27.913%0.12615%0.15CC..  trans-121.766.9177.3-171.162000110N243 L244 V393 Y398 L405N243-L382 PolarHBondContact OD1-N 2.91Å; N243-L382 PolarHBondContact OD1-O 3.33Å; L244-L382 HydrophobicContact CB-CD2 4.3Å; L244-L382 PolarHBondContact N-O 3.2Å; L382-V393 HydrophobicContact CD1-CG1 4.33Å; L382-V393 HydrophobicContact CD2-CG1 3.99Å; L382-V393 HydrophobicContact CG-CG1 4.15Å; L382-Y398 WeakPolarHBondContact CD1-OH 2.93Å; L382-Y398 HydrophobicContact CD2-CD1 4.26Å; L382-Y398 HydrophobicContact CD2-CE1 3.69Å; L382-L405 HydrophobicContact CD2-CD1 4.48Å
383P94.3Very high95.3Very high29 Ų2927.4 Ų27.419%0.18815%0.148CC..BIsolated β-bridgetrans-73.1131.2177.132.1-35.8000110.9D242 F381 K385D242-P383 CarbonylContact O-C 3.54Å; D242-P383 WeakPolarHBondContact O-CA 3.38Å; F381-P383 HydrophobicContact CD1-CG 4.24Å; F381-P383 HydrophobicContact CE1-CG 3.71Å; F381-P383 HydrophobicContact CE2-CG 4.13Å; F381-P383 HydrophobicContact CZ-CG 3.67Å; F381-P383 WeakPolarHBondContact O-CD 3.39Å; P383-K385 HydrophobicContact CB-CG 4.4Å
384V94.3Very high95.2Very high0 Ų029.4 Ų29.40%016%0.158CC..  trans-100.4101.5173.7-179.60000108.4K116 F127 D242 L244 D389 L390 V393K116-V384 VanDerWaalsContact CE-O 3.22Å; K116-V384 WeakPolarHBondContact CE-O 3.43Å; K116-V384 PolarHBondContact NZ-O 3.15Å; F127-V384 HydrophobicContact CE1-CB 3.79Å; F127-V384 HydrophobicContact CE1-CG1 4.37Å; F127-V384 HydrophobicContact CE1-CG2 3.96Å; F127-V384 HydrophobicContact CZ-CB 3.66Å; F127-V384 HydrophobicContact CZ-CG1 3.79Å; F127-V384 HydrophobicContact CZ-CG2 4.22Å; D242-V384 PolarHBondContact O-N 2.93Å; L244-V384 HydrophobicContact CD1-CG2 3.69Å; L244-V384 HydrophobicContact CG-CG2 4.3Å; V384-D389 HydrophobicContact CB-CB 4.23Å; V384-D389 HydrophobicContact CG1-CB 3.91Å; V384-D389 HydrophobicContact CG2-CB 4.44Å; V384-L390 HydrophobicContact CG1-CD2 3.67Å; V384-L390 HydrophobicContact CG1-CG 3.77Å; V384-V393 HydrophobicContact CG2-CG1 4.02Å; V384-V393 HydrophobicContact CG2-CG2 4.21Å
385K91.9Very high95.1Very high91 Ų9129.5 Ų29.540%0.39616%0.159SC..  trans-106.4-25.6-177.5-60.8-57.5-174.3-176.40112.9D242 P383 D389D242-K385 IonicContact OD1-NZ 3.51Å; D242-K385 PolarHBondContact OD1-NZ 2.82Å; D242-K385 WeakPolarHBondContact OD2-CD 3.32Å; D242-K385 IonicContact OD2-NZ 4Å; D242-K385 PolarHBondContact OD2-NZ 3.26Å; P383-K385 HydrophobicContact CB-CG 4.4Å; K385-D389 PolarHBondContact N-OD2 3.18Å
386T94.4Very high95Very high62 Ų6231 Ų3138%0.3817%0.167SC..SBendtrans-133.5169.5-174.568.60000111.2S388 D389 L390T386-S388 PolarHBondContact O-N 3.01Å; T386-S388 WeakPolarHBondContact OG1-CB 3.19Å; T386-S388 PolarHBondContact OG1-N 2.56Å; T386-D389 PolarHBondContact N-OD2 3.32Å; T386-D389 WeakPolarHBondContact O-CB 3.45Å; T386-D389 PolarHBondContact O-N 2.87Å; T386-D389 PolarHBondContact OG1-N 3.15Å; T386-D389 PolarHBondContact OG1-OD2 3.2Å; T386-L390 PolarHBondContact O-N 3.38Å; T386-L390 VanDerWaalsContact O-N 3.15Å
387T95.4Very high94.9Very high6 Ų630.9 Ų30.94%0.03717%0.166CC..Hα-helixtrans-67.7-20.8171.749.60000113M110 D389 L390 L391 F425 T426 V428 Y431M110-T387 HydrophobicContact CE-CG2 3.69Å; T387-D389 VanDerWaalsContact C-N 3.31Å; T387-L390 PolarHBondContact O-N 3.48Å; T387-L391 PolarHBondContact O-N 2.8Å; T387-F425 VanDerWaalsContact CB-O 3.26Å; T387-F425 WeakPolarHBondContact CB-O 3.41Å; T387-F425 WeakPolarHBondContact CG2-O 3.37Å; T387-F425 PolarHBondContact OG1-O 3.42Å; T387-T426 WeakPolarHBondContact CG2-O 3.29Å; T387-V428 HydrophobicContact CG2-CG2 4.38Å; T387-Y431 HydrophobicContact CG2-CD1 4.47Å; T387-Y431 HydrophobicContact CG2-CG 4.07Å
388S95.6Very high94.9Very high12 Ų1229.5 Ų29.58%0.08416%0.155CC..Hα-helixtrans-64.5-39.9170.5-58.20000110.9T386 L391 L392 V419 L421T386-S388 PolarHBondContact O-N 3.01Å; T386-S388 WeakPolarHBondContact OG1-CB 3.19Å; T386-S388 PolarHBondContact OG1-N 2.56Å; S388-L391 PolarHBondContact O-N 3.43Å; S388-L392 PolarHBondContact O-N 3.35Å; S388-V419 WeakPolarHBondContact CB-O 3.3Å; S388-L421 PolarHBondContact OG-N 3.23Å
389D94.7Very high95.1Very high46 Ų4627.9 Ų27.925%0.24616%0.157CC..Hα-helixtrans-70.5-36.8175.4-49.4-50.3000111.3V384 K385 T386 T387 L391 L392 V393V384-D389 HydrophobicContact CB-CB 4.23Å; V384-D389 HydrophobicContact CG1-CB 3.91Å; V384-D389 HydrophobicContact CG2-CB 4.44Å; K385-D389 PolarHBondContact N-OD2 3.18Å; T386-D389 PolarHBondContact N-OD2 3.32Å; T386-D389 WeakPolarHBondContact O-CB 3.45Å; T386-D389 PolarHBondContact O-N 2.87Å; T386-D389 PolarHBondContact OG1-N 3.15Å; T386-D389 PolarHBondContact OG1-OD2 3.2Å; T387-D389 VanDerWaalsContact C-N 3.31Å; D389-L391 VanDerWaalsContact C-N 3.34Å; D389-L391 PolarHBondContact O-N 3.4Å; D389-L392 WeakPolarHBondContact O-CB 3.46Å; D389-L392 PolarHBondContact O-N 3.06Å; D389-V393 PolarHBondContact O-N 2.81Å; D389-V393 VanDerWaalsContact O-N 3.15Å
390L95.3Very high95.2Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-59.3-44.9173.5-81-179.5000111.8M110 I119 V121 V384 T386 T387 L392 V393 M394 V428 Y431M110-L390 HydrophobicContact CE-CD1 3.17Å; M110-L390 HydrophobicContact CE-CG 3.7Å; I119-L390 HydrophobicContact CG2-CD1 4.42Å; V121-L390 HydrophobicContact CG1-CD2 4.32Å; V384-L390 HydrophobicContact CG1-CD2 3.67Å; V384-L390 HydrophobicContact CG1-CG 3.77Å; T386-L390 PolarHBondContact O-N 3.38Å; T386-L390 VanDerWaalsContact O-N 3.15Å; T387-L390 PolarHBondContact O-N 3.48Å; L390-L392 VanDerWaalsContact C-N 3.27Å; L390-L392 PolarHBondContact O-N 3.05Å; L390-V393 HydrophobicContact CD2-CG2 4.35Å; L390-V393 WeakPolarHBondContact O-CG2 3.34Å; L390-V393 PolarHBondContact O-N 3.35Å; L390-M394 HydrophobicContact CB-SD 4.48Å; L390-M394 VanDerWaalsContact O-CB 3.26Å; L390-M394 WeakPolarHBondContact O-CB 3.23Å; L390-M394 WeakPolarHBondContact O-CG 3.41Å; L390-M394 PolarHBondContact O-N 3.14Å; L390-V428 HydrophobicContact CD1-CG2 4.23Å; L390-Y431 HydrophobicContact CB-CE1 4.36Å
391L96.9Very high95.1Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-57.4-43.2178.5-176.162.2000111.8T387 S388 D389 S395 V419 L421 Y431 F435 I438 P439 M441 L447T387-L391 PolarHBondContact O-N 2.8Å; S388-L391 PolarHBondContact O-N 3.43Å; D389-L391 VanDerWaalsContact C-N 3.34Å; D389-L391 PolarHBondContact O-N 3.4Å; L391-S395 WeakPolarHBondContact O-CB 3.2Å; L391-S395 PolarHBondContact O-N 2.76Å; L391-S395 VanDerWaalsContact O-N 3.14Å; L391-V419 HydrophobicContact CD2-CG1 4.04Å; L391-L421 HydrophobicContact CB-CD1 4.41Å; L391-L421 HydrophobicContact CD2-CD1 4.17Å; L391-L421 HydrophobicContact CD2-CD2 4.12Å; L391-Y431 WeakPolarHBondContact CA-OH 3.4Å; L391-Y431 HydrophobicContact CB-CE2 4.04Å; L391-Y431 HydrophobicContact CD1-CE2 4.21Å; L391-F435 HydrophobicContact CD1-CD1 4.49Å; L391-F435 HydrophobicContact CD1-CE1 4.13Å; L391-F435 HydrophobicContact CD1-CE2 4.35Å; L391-F435 HydrophobicContact CD1-CZ 4.07Å; L391-F435 HydrophobicContact CD2-CE1 4.36Å; L391-F435 HydrophobicContact CD2-CE2 4.4Å; L391-F435 HydrophobicContact CD2-CZ 3.81Å; L391-I438 HydrophobicContact CD1-CD1 4.26Å; L391-I438 HydrophobicContact CD1-CG2 4.12Å; L391-P439 HydrophobicContact CD1-CG 4.29Å; L391-M441 HydrophobicContact CD1-SD 4.07Å; L391-M441 HydrophobicContact CD2-CE 3.97Å; L391-M441 HydrophobicContact CD2-SD 4.11Å; L391-M441 HydrophobicContact CG-CE 3.99Å; L391-M441 HydrophobicContact CG-SD 3.69Å; L391-L447 HydrophobicContact CD2-CD2 3.92Å
392L95.4Very high95Very high13 Ų1330 Ų307%0.06817%0.169CC..Hα-helixtrans-58.7-52.6176.1-72.6170.1000111.8S388 D389 L390 M394 S395 L397 Y398 V416 P417 V419 M441S388-L392 PolarHBondContact O-N 3.35Å; D389-L392 WeakPolarHBondContact O-CB 3.46Å; D389-L392 PolarHBondContact O-N 3.06Å; L390-L392 VanDerWaalsContact C-N 3.27Å; L390-L392 PolarHBondContact O-N 3.05Å; L392-M394 VanDerWaalsContact C-N 3.34Å; L392-M394 PolarHBondContact O-N 3.47Å; L392-S395 PolarHBondContact O-N 3.23Å; L392-S395 PolarHBondContact O-OG 2.72Å; L392-L397 HydrophobicContact CD2-CD2 4.01Å; L392-Y398 WeakPolarHBondContact O-CD2 3.47Å; L392-V416 HydrophobicContact CD1-CG1 4.06Å; L392-V416 HydrophobicContact CD2-CG1 4.36Å; L392-P417 HydrophobicContact CD2-CB 4.48Å; L392-P417 HydrophobicContact CD2-CG 3.72Å; L392-V419 HydrophobicContact CD1-CB 4.45Å; L392-V419 HydrophobicContact CD1-CG2 4.39Å; L392-V419 HydrophobicContact CD2-CB 4.41Å; L392-V419 HydrophobicContact CD2-CG2 3.52Å; L392-V419 HydrophobicContact CG-CB 4.26Å; L392-V419 HydrophobicContact CG-CG2 3.86Å; L392-M441 HydrophobicContact CD2-CE 4.41Å
393V95Very high94.9Very high2 Ų228.9 Ų28.91%0.01216%0.163CC..Hα-helixtrans-75-22.8-174.1-56.70000113.7V121 L244 L382 V384 D389 L390 L405V121-V393 HydrophobicContact CG1-CG2 3.74Å; L244-V393 HydrophobicContact CD1-CB 4.26Å; L244-V393 HydrophobicContact CD1-CG1 4.15Å; L244-V393 HydrophobicContact CD1-CG2 4.23Å; L382-V393 HydrophobicContact CD1-CG1 4.33Å; L382-V393 HydrophobicContact CD2-CG1 3.99Å; L382-V393 HydrophobicContact CG-CG1 4.15Å; V384-V393 HydrophobicContact CG2-CG1 4.02Å; V384-V393 HydrophobicContact CG2-CG2 4.21Å; D389-V393 PolarHBondContact O-N 2.81Å; D389-V393 VanDerWaalsContact O-N 3.15Å; L390-V393 HydrophobicContact CD2-CG2 4.35Å; L390-V393 WeakPolarHBondContact O-CG2 3.34Å; L390-V393 PolarHBondContact O-N 3.35Å; V393-L405 HydrophobicContact CB-CD1 3.91Å; V393-L405 HydrophobicContact CG1-CD1 4.3Å
394M95.4Very high94.9Very high43 Ų4329.2 Ų29.221%0.21217%0.166CC..Hα-helixtrans-78.6-27.4174.2-74.2-178.288.400112.9V121 L390 L392 Y431 L432 I438V121-M394 WeakPolarHBondContact O-CG 3.44Å; L390-M394 HydrophobicContact CB-SD 4.48Å; L390-M394 VanDerWaalsContact O-CB 3.26Å; L390-M394 WeakPolarHBondContact O-CB 3.23Å; L390-M394 WeakPolarHBondContact O-CG 3.41Å; L390-M394 PolarHBondContact O-N 3.14Å; L392-M394 VanDerWaalsContact C-N 3.34Å; L392-M394 PolarHBondContact O-N 3.47Å; M394-Y431 HydrophobicContact SD-CE1 3.9Å; M394-Y431 PolarHBondContact SD-OH 2.89Å; M394-Y431 VanDerWaalsContact SD-OH 3.42Å; M394-L432 HydrophobicContact CE-CD2 4.33Å; M394-I438 HydrophobicContact CB-CD1 3.98Å; M394-I438 HydrophobicContact CB-CG1 3.98Å; M394-I438 HydrophobicContact CB-CG2 4.21Å; M394-I438 HydrophobicContact CE-CD1 4.01Å; M394-I438 HydrophobicContact CE-CG1 4.26Å; M394-I438 HydrophobicContact SD-CD1 4.03Å
395S96.1Very high95Very high2 Ų230.1 Ų30.11%0.01417%0.171CC..SBendtrans-70169.3-176.174.90000113.3L391 L392 L397 Y398L391-S395 WeakPolarHBondContact O-CB 3.2Å; L391-S395 PolarHBondContact O-N 2.76Å; L391-S395 VanDerWaalsContact O-N 3.14Å; L392-S395 PolarHBondContact O-N 3.23Å; L392-S395 PolarHBondContact O-OG 2.72Å; S395-L397 PolarHBondContact O-N 3.48Å; S395-L397 VanDerWaalsContact O-N 3.13Å; S395-L397 WeakPolarHBondContact OG-CB 3.26Å; S395-L397 PolarHBondContact OG-N 3.45Å; S395-Y398 PolarHBondContact O-N 3.01Å
396N95.4Very high95.1Very high66 Ų6629.2 Ų29.235%0.35317%0.173SC..THydrogen-bonded Turntrans-67-2.6171.766.6-22.5000114Y398 D440 M441N396-Y398 PolarHBondContact O-N 3.33Å; N396-D440 PolarHBondContact ND2-OD1 2.7Å; N396-D440 PolarHBondContact OD1-OD1 2.84Å; N396-M441 PolarHBondContact OD1-N 3.15Å
397L95.6Very high95.1Very high0 Ų028.9 Ų28.90%017%0.168CC..THydrogen-bonded Turntrans-62-30.9170.8-175.366.2000112.2L392 S395 S408 R411 P417L392-L397 HydrophobicContact CD2-CD2 4.01Å; S395-L397 PolarHBondContact O-N 3.48Å; S395-L397 VanDerWaalsContact O-N 3.13Å; S395-L397 WeakPolarHBondContact OG-CB 3.26Å; S395-L397 PolarHBondContact OG-N 3.45Å; L397-S408 WeakPolarHBondContact O-CB 3.31Å; L397-S408 PolarHBondContact O-N 2.91Å; L397-R411 HydrophobicContact CD1-CB 4.45Å; L397-R411 HydrophobicContact CD1-CG 4.08Å; L397-P417 VanDerWaalsContact CD2-CD 3.46Å; L397-P417 HydrophobicContact CD2-CG 3.72Å
398Y96.1Very high95.1Very high14 Ų1429.8 Ų29.86%0.05517%0.174CC..EExtended strand (participates in β ladder)trans-113.4147.2175-69.7-89.7000110.3R122 L382 L392 S395 N396 L405 T406 M407R122-Y398 PolarHBondContact NH1-O 3.34Å; R122-Y398 PolarHBondContact NH2-O 3.15Å; L382-Y398 WeakPolarHBondContact CD1-OH 2.93Å; L382-Y398 HydrophobicContact CD2-CD1 4.26Å; L382-Y398 HydrophobicContact CD2-CE1 3.69Å; L392-Y398 WeakPolarHBondContact O-CD2 3.47Å; S395-Y398 PolarHBondContact O-N 3.01Å; N396-Y398 PolarHBondContact O-N 3.33Å; Y398-L405 HydrophobicContact CD1-CB 4.24Å; Y398-T406 CarbonylContact C-O 3.57Å; Y398-T406 WeakPolarHBondContact CA-O 3.45Å; Y398-M407 HydrophobicContact CD1-CB 4.4Å; Y398-M407 HydrophobicContact CE1-CB 4.19Å
399S95.3Very high95Very high49 Ų4938.6 Ų38.634%0.34321%0.214SC..EExtended strand (participates in β ladder)trans-103.6145.6165.1-169.70000109.9L405 T406S399-L405 WeakPolarHBondContact O-CA 3.48Å; S399-T406 PolarHBondContact N-O 3.42Å; S399-T406 PolarHBondContact O-N 3.38Å
400L95.8Very high95Very high35 Ų3544.4 Ų44.418%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-110117.417917563.7000109.4R122 L130 S404 L405R122-L400 HydrophobicContact CB-CD2 4.47Å; R122-L400 HydrophobicContact CG-CD2 4.19Å; L130-L400 HydrophobicContact CD2-CD1 3.63Å; L130-L400 HydrophobicContact CD2-CD2 4.03Å; L130-L400 HydrophobicContact CD2-CG 4.5Å; L400-S404 WeakPolarHBondContact CA-O 3.47Å; L400-L405 HydrophobicContact CB-CD2 3.95Å; L400-L405 HydrophobicContact CD1-CD2 3.98Å; L400-L405 HydrophobicContact CD1-CG 4.41Å
401N95.1Very high94.8Very high96 Ų9645.3 Ų45.351%0.51324%0.24SC..EExtended strand (participates in β ladder)trans-130117.9176.4-64.5-62.9000109.3G403 S404N401-G403 VanDerWaalsContact C-N 3.3Å; N401-G403 PolarHBondContact O-N 2.79Å; N401-S404 PolarHBondContact N-O 3.32Å; N401-S404 WeakPolarHBondContact O-CB 3.49Å; N401-S404 PolarHBondContact O-N 3.18Å
402A93.3Very high94.5Very high40 Ų4053 Ų5333%0.33128%0.276SS..THydrogen-bonded Turntrans47.749178.500000113.7Q133 Q134 H137 S404Q133-A402 CarbonylContact C-O 3.24Å; Q134-A402 WeakPolarHBondContact CA-O 3.2Å; Q134-A402 PolarHBondContact N-O 3.3Å; H137-A402 HydrophobicContact CB-CB 3.76Å; H137-A402 VanDerWaalsContact CG-CB 3.5Å; A402-S404 PolarHBondContact O-N 2.87Å
403G92.1Very high94.1Very high0 Ų057.6 Ų57.60%030%0.296CS..THydrogen-bonded Turntrans77.1-10.6-177.800000115.5Q134 N401Q134-G403 PolarHBondContact NE2-O 3.38Å; N401-G403 VanDerWaalsContact C-N 3.3Å; N401-G403 PolarHBondContact O-N 2.79Å
404S94.8Very high93.6Very high36 Ų3663 Ų6325%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-93.5132.5179.3-600000111.6L400 N401 A402L400-S404 WeakPolarHBondContact CA-O 3.47Å; N401-S404 PolarHBondContact N-O 3.32Å; N401-S404 WeakPolarHBondContact O-CB 3.49Å; N401-S404 PolarHBondContact O-N 3.18Å; A402-S404 PolarHBondContact O-N 2.87Å
405L94.9Very high93.2Very high19 Ų1965 Ų6510%0.09935%0.346CS..EExtended strand (participates in β ladder)trans-94.8125.9172.6-70.4176.1000110.7L244 L382 V393 Y398 S399 L400L244-L405 HydrophobicContact CB-CD1 4.1Å; L244-L405 HydrophobicContact CD1-CD1 3.5Å; L244-L405 VanDerWaalsContact CD1-CD1 3.5Å; L244-L405 HydrophobicContact CG-CD1 4.32Å; L382-L405 HydrophobicContact CD2-CD1 4.48Å; V393-L405 HydrophobicContact CB-CD1 3.91Å; V393-L405 HydrophobicContact CG1-CD1 4.3Å; Y398-L405 HydrophobicContact CD1-CB 4.24Å; S399-L405 WeakPolarHBondContact O-CA 3.48Å; L400-L405 HydrophobicContact CB-CD2 3.95Å; L400-L405 HydrophobicContact CD1-CD2 3.98Å; L400-L405 HydrophobicContact CD1-CG 4.41Å
406T94.6Very high92.9Very high72 Ų7267.6 Ų67.644%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-121.7136.7173.453.80000109Y398 S399 S408Y398-T406 CarbonylContact C-O 3.57Å; Y398-T406 WeakPolarHBondContact CA-O 3.45Å; S399-T406 PolarHBondContact N-O 3.42Å; S399-T406 PolarHBondContact O-N 3.38Å; T406-S408 PolarHBondContact O-N 3.13Å
407M94.3Very high92.8Very high55 Ų5564.8 Ų64.827%0.27135%0.346SS..EExtended strand (participates in β ladder)trans-58.7138173-174.6175.8-74.800109.3Y398 E409 R411 V416Y398-M407 HydrophobicContact CD1-CB 4.4Å; Y398-M407 HydrophobicContact CE1-CB 4.19Å; M407-E409 PolarHBondContact O-N 3.35Å; M407-R411 HydrophobicContact CG-CB 4.37Å; M407-R411 HydrophobicContact SD-CG 4.16Å; M407-V416 HydrophobicContact CE-CB 4.47Å; M407-V416 HydrophobicContact CE-CG2 3.57Å
408S95Very high92.6Very high24 Ų2468.8 Ų68.817%0.16837%0.367CS..  trans-60.5132.8-178.5-179.40000110.8L397 T406 K410 R411L397-S408 WeakPolarHBondContact O-CB 3.31Å; L397-S408 PolarHBondContact O-N 2.91Å; T406-S408 PolarHBondContact O-N 3.13Å; S408-K410 PolarHBondContact O-N 2.86Å; S408-K410 PolarHBondContact OG-N 2.92Å; S408-R411 VanDerWaalsContact O-CB 3.23Å; S408-R411 WeakPolarHBondContact O-CB 3.45Å; S408-R411 PolarHBondContact O-N 3.21Å
409E93.9Very high92.5Very high198 Ų19868.7 Ų68.793%0.92537%0.369SS*.THydrogen-bonded Turntrans-64.5-19.1174.2-62.9177.2178.800112.6M407 R411M407-E409 PolarHBondContact O-N 3.35Å; E409-R411 PolarHBondContact O-N 3.47Å
410K94.1Very high92.5Very high167 Ų16772 Ų7273%0.72638%0.376SS*.THydrogen-bonded Turntrans-75.1-8.3174.9-57.5-175.7177.8-177.40113S408 E412 L442S408-K410 PolarHBondContact O-N 2.86Å; S408-K410 PolarHBondContact OG-N 2.92Å; K410-E412 PolarHBondContact O-N 2.75Å; K410-L442 HydrophobicContact CB-CD1 4.25Å; K410-L442 HydrophobicContact CB-CD2 3.65Å; K410-L442 HydrophobicContact CB-CG 4.47Å; K410-L442 HydrophobicContact CD-CD2 4.41Å
411R92.2Very high92.5Very high20 Ų2071.3 Ų71.38%0.07537%0.373CS..  trans-76.1121.9175.5179.166.9-176.9-160.57.6108.6L397 M407 S408 E409 F413 M441 L442 L444 D445L397-R411 HydrophobicContact CD1-CB 4.45Å; L397-R411 HydrophobicContact CD1-CG 4.08Å; M407-R411 HydrophobicContact CG-CB 4.37Å; M407-R411 HydrophobicContact SD-CG 4.16Å; S408-R411 VanDerWaalsContact O-CB 3.23Å; S408-R411 WeakPolarHBondContact O-CB 3.45Å; S408-R411 PolarHBondContact O-N 3.21Å; E409-R411 PolarHBondContact O-N 3.47Å; R411-F413 VanDerWaalsContact C-N 3.34Å; R411-F413 WeakPolarHBondContact CG-O 3.35Å; R411-F413 PolarHBondContact NE-O 2.74Å; R411-F413 PolarHBondContact O-N 3Å; R411-M441 PolarHBondContact NH1-O 2.94Å; R411-L442 HydrophobicContact CB-CD1 4.18Å; R411-L442 WeakPolarHBondContact CD-O 3.38Å; R411-L442 PolarHBondContact NH1-O 2.82Å; R411-L444 PolarHBondContact NH1-O 3.43Å; R411-L444 PolarHBondContact NH2-O 3.49Å; R411-D445 IonicContact NH2-OD1 2.74Å; R411-D445 PolarHBondContact NH2-OD1 3.46Å
412E89.3Confident92.5Very high162 Ų16267.6 Ų67.676%0.75736%0.357SS*.SBendtrans-65.7-35.6-177.6-63.8-174169.400113.2K410K410-E412 PolarHBondContact O-N 2.75Å
413F88.1Confident92.7Very high110 Ų11070.7 Ų70.748%0.48238%0.376SS..SBendtrans-118.1136.2-176.9-55.9-75.8000112.1R411 T415R411-F413 VanDerWaalsContact C-N 3.34Å; R411-F413 WeakPolarHBondContact CG-O 3.35Å; R411-F413 PolarHBondContact NE-O 2.74Å; R411-F413 PolarHBondContact O-N 3Å; F413-T415 PolarHBondContact O-N 2.72Å
414P85Confident92.8Very high115 Ų11572 Ų7275%0.74739%0.386SS*.SBendtrans-70.2-2.6-179.330.9-36.9000113.7
415T87.1Confident92.9Very high85 Ų8570.3 Ų70.352%0.52137%0.374SS..SBendtrans-76.2131.4179.751.20000111F413F413-T415 PolarHBondContact O-N 2.72Å
416V90Very high92.9Very high56 Ų5672.6 Ų72.634%0.33939%0.389SS..PPolyproline II helixtrans-74.9131.5172.5-176.20000109.1L392 M407L392-V416 HydrophobicContact CD1-CG1 4.06Å; L392-V416 HydrophobicContact CD2-CG1 4.36Å; M407-V416 HydrophobicContact CE-CB 4.47Å; M407-V416 HydrophobicContact CE-CG2 3.57Å
417P91.7Very high93Very high7 Ų774.8 Ų74.85%0.04539%0.392CS..PPolyproline II helixtrans-63.8151.8177.215.2-20000113.2L392 L397 L444 D445L392-P417 HydrophobicContact CD2-CB 4.48Å; L392-P417 HydrophobicContact CD2-CG 3.72Å; L397-P417 VanDerWaalsContact CD2-CD 3.46Å; L397-P417 HydrophobicContact CD2-CG 3.72Å; P417-L444 HydrophobicContact CB-CB 4.48Å; P417-L444 HydrophobicContact CB-CD2 4.2Å; P417-L444 HydrophobicContact CB-CG 4.16Å; P417-L444 VanDerWaalsContact CB-O 3.28Å; P417-L444 WeakPolarHBondContact CB-O 3.02Å; P417-L444 HydrophobicContact CG-CD2 4.48Å; P417-D445 VanDerWaalsContact CA-O 3.3Å; P417-D445 WeakPolarHBondContact CA-O 3.07Å; P417-D445 WeakPolarHBondContact CB-O 3.4Å
418L91.4Very high92.9Very high84 Ų8473 Ų7344%0.4438%0.384SS..EExtended strand (participates in β ladder)trans-88.6110.4176-174.167.9000110.2D445 H446 L447L418-D445 PolarHBondContact N-O 3.48Å; L418-H446 WeakPolarHBondContact O-CA 3.34Å; L418-L447 PolarHBondContact O-N 3.1Å
419V94.7Very high92.9Very high13 Ų1379.3 Ų79.38%0.07941%0.411CS..EExtended strand (participates in β ladder)trans-110.5130177.9175.90000110.3S388 L391 L392 L421 M441 L444 L447S388-V419 WeakPolarHBondContact CB-O 3.3Å; L391-V419 HydrophobicContact CD2-CG1 4.04Å; L392-V419 HydrophobicContact CD1-CB 4.45Å; L392-V419 HydrophobicContact CD1-CG2 4.39Å; L392-V419 HydrophobicContact CD2-CB 4.41Å; L392-V419 HydrophobicContact CD2-CG2 3.52Å; L392-V419 HydrophobicContact CG-CB 4.26Å; L392-V419 HydrophobicContact CG-CG2 3.86Å; V419-L421 HydrophobicContact CG1-CD2 4.2Å; V419-L421 HydrophobicContact CG1-CG 4.15Å; V419-M441 HydrophobicContact CG2-CE 3.6Å; V419-L444 HydrophobicContact CG2-CD2 4.23Å; V419-L447 CarbonylContact C-O 3.6Å; V419-L447 WeakPolarHBondContact CA-O 3.28Å; V419-L447 HydrophobicContact CG1-CD2 4.14Å; V419-L447 HydrophobicContact CG2-CB 4.22Å
420K95.3Very high93Very high117 Ų11771.8 Ų71.851%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-132.7107.7174.3-68.6-176179.3178.90110.4L447 T448 V449K420-L447 PolarHBondContact N-O 2.99Å; K420-T448 WeakPolarHBondContact O-CA 3.36Å; K420-V449 PolarHBondContact O-N 2.83Å
421L96.4Very high93.1Very high22 Ų2263.9 Ų63.912%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-96.6135.8172.2-52.5179.9000110.2S388 L391 V419 F425 Y431 F435 L447 V449S388-L421 PolarHBondContact OG-N 3.23Å; L391-L421 HydrophobicContact CB-CD1 4.41Å; L391-L421 HydrophobicContact CD2-CD1 4.17Å; L391-L421 HydrophobicContact CD2-CD2 4.12Å; V419-L421 HydrophobicContact CG1-CD2 4.2Å; V419-L421 HydrophobicContact CG1-CG 4.15Å; L421-F425 HydrophobicContact CB-CB 3.69Å; L421-F425 HydrophobicContact CB-CD2 4.19Å; L421-F425 HydrophobicContact CB-CG 3.95Å; L421-F425 HydrophobicContact CD1-CB 4.12Å; L421-F425 HydrophobicContact CD1-CD1 4.24Å; L421-F425 HydrophobicContact CD1-CG 4.29Å; L421-Y431 HydrophobicContact CD1-CD2 4.02Å; L421-Y431 HydrophobicContact CD1-CE2 4.13Å; L421-F435 HydrophobicContact CD1-CE2 4.34Å; L421-L447 HydrophobicContact CD2-CD2 4.49Å; L421-V449 HydrophobicContact CD2-CB 4.08Å; L421-V449 HydrophobicContact CD2-CG2 4.02Å
422G95.4Very high93.2Very high17 Ų1767.2 Ų67.218%0.17536%0.362CS..  trans-71.2179.9-179.600000113.8S424 F425 V449G422-S424 PolarHBondContact O-N 2.94Å; G422-S424 VanDerWaalsContact O-N 3.1Å; G422-F425 PolarHBondContact O-N 3.24Å; G422-V449 WeakPolarHBondContact CA-O 3.47Å; G422-V449 PolarHBondContact N-O 2.66Å
423S95.6Very high93.5Very high105 Ų10567.7 Ų67.773%0.73436%0.356SS*.G310 helixtrans-56.6-29.9-175520000114.4F425 T426S423-F425 PolarHBondContact O-N 3.13Å; S423-F425 VanDerWaalsContact O-N 3.13Å; S423-T426 WeakPolarHBondContact CA-OG1 3.47Å; S423-T426 PolarHBondContact O-N 3.44Å; S423-T426 PolarHBondContact O-OG1 3.36Å; S423-T426 VanDerWaalsContact O-OG1 3.06Å
424S96.1Very high94Very high29 Ų2963.6 Ų63.620%0.20334%0.338CS..G310 helixtrans-61.6-15.7175.6-51.30000114.2G422 D430 R434 G451G422-S424 PolarHBondContact O-N 2.94Å; G422-S424 VanDerWaalsContact O-N 3.1Å; S424-D430 WeakPolarHBondContact O-CB 3.34Å; S424-R434 PolarHBondContact O-NE 2.9Å; S424-G451 VanDerWaalsContact CB-O 3.31Å; S424-G451 WeakPolarHBondContact CB-O 3.49Å; S424-G451 PolarHBondContact OG-O 2.99Å
425F96.8Very high94.6Very high0 Ų058.7 Ų58.70%031%0.305CS..G310 helixtrans-110.62.2-179.1-64-96.4000112.8T387 L421 G422 S423 K427 Y431 R434 F435 V449 V453 F455T387-F425 VanDerWaalsContact CB-O 3.26Å; T387-F425 WeakPolarHBondContact CB-O 3.41Å; T387-F425 WeakPolarHBondContact CG2-O 3.37Å; T387-F425 PolarHBondContact OG1-O 3.42Å; L421-F425 HydrophobicContact CB-CB 3.69Å; L421-F425 HydrophobicContact CB-CD2 4.19Å; L421-F425 HydrophobicContact CB-CG 3.95Å; L421-F425 HydrophobicContact CD1-CB 4.12Å; L421-F425 HydrophobicContact CD1-CD1 4.24Å; L421-F425 HydrophobicContact CD1-CG 4.29Å; G422-F425 PolarHBondContact O-N 3.24Å; S423-F425 PolarHBondContact O-N 3.13Å; S423-F425 VanDerWaalsContact O-N 3.13Å; F425-K427 VanDerWaalsContact C-N 3.32Å; F425-K427 PolarHBondContact O-N 2.99Å; F425-Y431 HydrophobicContact CD1-CD2 4.33Å; F425-R434 HydrophobicContact CD1-CB 4.12Å; F425-R434 HydrophobicContact CE1-CB 3.53Å; F425-R434 HydrophobicContact CE1-CG 4.17Å; F425-R434 HydrophobicContact CZ-CB 4.2Å; F425-F435 HydrophobicContact CD1-CD2 4.41Å; F425-F435 AromaticContact CD1-CE2 3.78Å; F425-F435 HydrophobicContact CD1-CE2 3.78Å; F425-F435 HydrophobicContact CE1-CD2 4.16Å; F425-F435 AromaticContact CE1-CE2 3.53Å; F425-F435 HydrophobicContact CE1-CE2 3.53Å; F425-F435 HydrophobicContact CE1-CZ 4.14Å; F425-V449 HydrophobicContact CE2-CG1 3.77Å; F425-V449 HydrophobicContact CZ-CG1 4.01Å; F425-V453 HydrophobicContact CE2-CB 4.38Å; F425-V453 HydrophobicContact CZ-CB 4.19Å; F425-V453 WeakPolarHBondContact CZ-O 3.41Å; F425-F455 HydrophobicContact CE1-CE2 4.34Å; F425-F455 HydrophobicContact CZ-CE2 4.08Å
426T94.8Very high95Very high67 Ų6761 Ų6141%0.41131%0.31SS..SBendtrans-61.5-39.7-173.7-58.10000112.5M110 T387 S423M110-T426 WeakPolarHBondContact CA-O 3.15Å; T387-T426 WeakPolarHBondContact CG2-O 3.29Å; S423-T426 WeakPolarHBondContact CA-OG1 3.47Å; S423-T426 PolarHBondContact O-N 3.44Å; S423-T426 PolarHBondContact O-OG1 3.36Å; S423-T426 VanDerWaalsContact O-OG1 3.06Å
427K94.9Very high95.2Very high117 Ų11759.9 Ų59.951%0.50931%0.305SS..SBendtrans-84.2134.2179.7-62.3-178.8-179.9174.80110.2M110 F425 Q429 D430 Y431M110-K427 CarbonylContact O-C 3.52Å; M110-K427 WeakPolarHBondContact O-CA 3.4Å; F425-K427 VanDerWaalsContact C-N 3.32Å; F425-K427 PolarHBondContact O-N 2.99Å; K427-Q429 PolarHBondContact O-N 3.19Å; K427-D430 HydrophobicContact CB-CB 4.39Å; K427-D430 PolarHBondContact O-N 3.32Å; K427-D430 VanDerWaalsContact O-N 3.07Å; K427-Y431 WeakPolarHBondContact O-CB 3.48Å; K427-Y431 PolarHBondContact O-N 3.15Å
428V93.7Very high95.5Very high17 Ų1762 Ų6210%0.10332%0.315CS..Hα-helixtrans-54.5-40.8179.1176.50000111.8M110 I119 T387 L390 D430 Y431 L432M110-V428 HydrophobicContact CB-CG2 3.78Å; M110-V428 HydrophobicContact CE-CG2 3.83Å; M110-V428 PolarHBondContact O-N 2.97Å; I119-V428 HydrophobicContact CG2-CG2 4.25Å; T387-V428 HydrophobicContact CG2-CG2 4.38Å; L390-V428 HydrophobicContact CD1-CG2 4.23Å; V428-D430 PolarHBondContact O-N 2.65Å; V428-Y431 PolarHBondContact O-N 3.35Å; V428-L432 HydrophobicContact CG1-CD1 3.76Å; V428-L432 HydrophobicContact CG1-CG 4.09Å; V428-L432 WeakPolarHBondContact O-CB 3.41Å; V428-L432 VanDerWaalsContact O-CG 3.31Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 3.06Å
429Q94.1Very high95.7Very high158 Ų15858 Ų5874%0.73829%0.294SS*.Hα-helixtrans-61.4-43.8178.9-173.3179.67.300112.5K427 R433K427-Q429 PolarHBondContact O-N 3.19Å; Q429-R433 WeakPolarHBondContact O-CB 3.15Å; Q429-R433 PolarHBondContact O-N 3.06Å
430D96Very high95.9Very high39 Ų3959.7 Ų59.721%0.20930%0.303CS..Hα-helixtrans-70.7-41177.6-69.9-50.3000111.3S424 K427 V428 R433 R434S424-D430 WeakPolarHBondContact O-CB 3.34Å; K427-D430 HydrophobicContact CB-CB 4.39Å; K427-D430 PolarHBondContact O-N 3.32Å; K427-D430 VanDerWaalsContact O-N 3.07Å; V428-D430 PolarHBondContact O-N 2.65Å; D430-R433 PolarHBondContact O-N 3.48Å; D430-R433 IonicContact OD1-CZ 2.9Å; D430-R433 IonicContact OD1-NE 2.66Å; D430-R433 IonicContact OD1-NH2 3.16Å; D430-R433 PolarHBondContact OD1-NH2 3.32Å; D430-R434 WeakPolarHBondContact O-CB 3.35Å; D430-R434 WeakPolarHBondContact O-CD 3.48Å; D430-R434 WeakPolarHBondContact O-CG 3.26Å; D430-R434 PolarHBondContact O-N 3.4Å
431Y96.3Very high95.9Very high1 Ų154.1 Ų54.10%0.00428%0.278CS..Hα-helixtrans-55.3-53.5173.5161.6-102.1000111.7T387 L390 L391 M394 L421 F425 K427 V428 R433 R434 F435 I438T387-Y431 HydrophobicContact CG2-CD1 4.47Å; T387-Y431 HydrophobicContact CG2-CG 4.07Å; L390-Y431 HydrophobicContact CB-CE1 4.36Å; L391-Y431 WeakPolarHBondContact CA-OH 3.4Å; L391-Y431 HydrophobicContact CB-CE2 4.04Å; L391-Y431 HydrophobicContact CD1-CE2 4.21Å; M394-Y431 HydrophobicContact SD-CE1 3.9Å; M394-Y431 PolarHBondContact SD-OH 2.89Å; M394-Y431 VanDerWaalsContact SD-OH 3.42Å; L421-Y431 HydrophobicContact CD1-CD2 4.02Å; L421-Y431 HydrophobicContact CD1-CE2 4.13Å; F425-Y431 HydrophobicContact CD1-CD2 4.33Å; K427-Y431 WeakPolarHBondContact O-CB 3.48Å; K427-Y431 PolarHBondContact O-N 3.15Å; V428-Y431 PolarHBondContact O-N 3.35Å; Y431-R433 VanDerWaalsContact C-N 3.33Å; Y431-R433 PolarHBondContact O-N 3.41Å; Y431-R434 PolarHBondContact O-N 2.9Å; Y431-R434 VanDerWaalsContact O-N 3.15Å; Y431-F435 AromaticContact CD2-CD2 3.76Å; Y431-F435 HydrophobicContact CD2-CD2 3.76Å; Y431-F435 AromaticContact CD2-CE2 3.77Å; Y431-F435 HydrophobicContact CD2-CE2 3.77Å; Y431-F435 AromaticContact CE2-CD2 3.56Å; Y431-F435 HydrophobicContact CE2-CD2 3.56Å; Y431-F435 AromaticContact CE2-CE2 3.59Å; Y431-F435 HydrophobicContact CE2-CE2 3.59Å; Y431-F435 WeakPolarHBondContact O-CD2 3.46Å; Y431-F435 PolarHBondContact O-N 2.99Å; Y431-I438 WeakPolarHBondContact OH-CD1 3.44Å
432L94.7Very high95.9Very high91 Ų9154.4 Ų54.448%0.47628%0.28SS..Hα-helixtrans-63.3-38.8179.9-69.7174.9000111.9M394 V428 R434 F435M394-L432 HydrophobicContact CE-CD2 4.33Å; V428-L432 HydrophobicContact CG1-CD1 3.76Å; V428-L432 HydrophobicContact CG1-CG 4.09Å; V428-L432 WeakPolarHBondContact O-CB 3.41Å; V428-L432 VanDerWaalsContact O-CG 3.31Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 3.06Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 3.35Å; L432-F435 PolarHBondContact O-N 3.07Å; L432-F435 VanDerWaalsContact O-O 3.12Å
433R96.6Very high95.8Very high171 Ų17158.2 Ų58.265%0.64529%0.293SS*.Hα-helixtrans-64.6-32176.3179.1173.761.1131.4-4.3112.8Q429 D430 Y431Q429-R433 WeakPolarHBondContact O-CB 3.15Å; Q429-R433 PolarHBondContact O-N 3.06Å; D430-R433 PolarHBondContact O-N 3.48Å; D430-R433 IonicContact OD1-CZ 2.9Å; D430-R433 IonicContact OD1-NE 2.66Å; D430-R433 IonicContact OD1-NH2 3.16Å; D430-R433 PolarHBondContact OD1-NH2 3.32Å; Y431-R433 VanDerWaalsContact C-N 3.33Å; Y431-R433 PolarHBondContact O-N 3.41Å
434R97.4Very high95.8Very high25 Ų2553.4 Ų53.49%0.09426%0.259CS..Hα-helixtrans-84.2-12.9-175.9-72.8172.8178.5-69.4-4.9113.8S424 F425 D430 Y431 L432 D452 V453 T454 F455S424-R434 PolarHBondContact O-NE 2.9Å; F425-R434 HydrophobicContact CD1-CB 4.12Å; F425-R434 HydrophobicContact CE1-CB 3.53Å; F425-R434 HydrophobicContact CE1-CG 4.17Å; F425-R434 HydrophobicContact CZ-CB 4.2Å; D430-R434 WeakPolarHBondContact O-CB 3.35Å; D430-R434 WeakPolarHBondContact O-CD 3.48Å; D430-R434 WeakPolarHBondContact O-CG 3.26Å; D430-R434 PolarHBondContact O-N 3.4Å; Y431-R434 PolarHBondContact O-N 2.9Å; Y431-R434 VanDerWaalsContact O-N 3.15Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 3.35Å; R434-D452 IonicContact CZ-OD1 3.07Å; R434-D452 IonicContact NH1-OD1 2.66Å; R434-D452 PolarHBondContact NH1-OD1 3.33Å; R434-D452 IonicContact NH2-OD1 2.95Å; R434-D452 PolarHBondContact NH2-OD1 2.75Å; R434-V453 PolarHBondContact NH1-O 2.93Å; R434-T454 HydrophobicContact CG-CG2 4.34Å; R434-T454 CarbonylContact O-C 3.53Å; R434-T454 WeakPolarHBondContact O-CA 3.36Å; R434-F455 PolarHBondContact O-N 2.78Å
435F96.9Very high95.6Very high12 Ų1255.6 Ų55.65%0.05327%0.269CS..BIsolated β-bridgetrans-116.2102.9174.1-74.5-82.3000109.6L391 L421 F425 Y431 L432 S437 P439 F455L391-F435 HydrophobicContact CD1-CD1 4.49Å; L391-F435 HydrophobicContact CD1-CE1 4.13Å; L391-F435 HydrophobicContact CD1-CE2 4.35Å; L391-F435 HydrophobicContact CD1-CZ 4.07Å; L391-F435 HydrophobicContact CD2-CE1 4.36Å; L391-F435 HydrophobicContact CD2-CE2 4.4Å; L391-F435 HydrophobicContact CD2-CZ 3.81Å; L421-F435 HydrophobicContact CD1-CE2 4.34Å; F425-F435 HydrophobicContact CD1-CD2 4.41Å; F425-F435 AromaticContact CD1-CE2 3.78Å; F425-F435 HydrophobicContact CD1-CE2 3.78Å; F425-F435 HydrophobicContact CE1-CD2 4.16Å; F425-F435 AromaticContact CE1-CE2 3.53Å; F425-F435 HydrophobicContact CE1-CE2 3.53Å; F425-F435 HydrophobicContact CE1-CZ 4.14Å; Y431-F435 AromaticContact CD2-CD2 3.76Å; Y431-F435 HydrophobicContact CD2-CD2 3.76Å; Y431-F435 AromaticContact CD2-CE2 3.77Å; Y431-F435 HydrophobicContact CD2-CE2 3.77Å; Y431-F435 AromaticContact CE2-CD2 3.56Å; Y431-F435 HydrophobicContact CE2-CD2 3.56Å; Y431-F435 AromaticContact CE2-CE2 3.59Å; Y431-F435 HydrophobicContact CE2-CE2 3.59Å; Y431-F435 WeakPolarHBondContact O-CD2 3.46Å; Y431-F435 PolarHBondContact O-N 2.99Å; L432-F435 PolarHBondContact O-N 3.07Å; L432-F435 VanDerWaalsContact O-O 3.12Å; F435-S437 PolarHBondContact O-N 3.08Å; F435-P439 HydrophobicContact CD1-CG 4.44Å; F435-P439 HydrophobicContact CE1-CG 4.12Å; F435-F455 HydrophobicContact CD1-CB 3.5Å; F435-F455 HydrophobicContact CD1-CD1 4.48Å; F435-F455 AromaticContact CD1-CD2 3.69Å; F435-F455 HydrophobicContact CD1-CD2 3.69Å; F435-F455 AromaticContact CD1-CG 3.65Å; F435-F455 HydrophobicContact CD1-CG 3.65Å; F435-F455 HydrophobicContact CE1-CB 3.78Å; F435-F455 AromaticContact CE1-CD1 3.91Å; F435-F455 HydrophobicContact CE1-CD1 3.91Å; F435-F455 AromaticContact CE1-CD2 3.17Å; F435-F455 HydrophobicContact CE1-CD2 3.17Å; F435-F455 HydrophobicContact CE1-CE1 4.3Å; F435-F455 AromaticContact CE1-CE2 3.64Å; F435-F455 HydrophobicContact CE1-CE2 3.64Å; F435-F455 AromaticContact CE1-CG 3.34Å; F435-F455 HydrophobicContact CE1-CG 3.34Å; F435-F455 HydrophobicContact CE1-CZ 4.19Å; F435-F455 HydrophobicContact CE2-CD2 4.18Å; F435-F455 HydrophobicContact CE2-CE2 4.41Å; F435-F455 HydrophobicContact CG-CB 4.34Å; F435-F455 HydrophobicContact CG-CD2 4.37Å; F435-F455 AromaticContact CZ-CD2 3.45Å; F435-F455 HydrophobicContact CZ-CD2 3.45Å; F435-F455 VanDerWaalsContact CZ-CD2 3.45Å; F435-F455 AromaticContact CZ-CE2 3.54Å; F435-F455 HydrophobicContact CZ-CE2 3.54Å; F435-F455 HydrophobicContact CZ-CG 4.11Å; F435-F455 HydrophobicContact CZ-CZ 4.26Å
436E95.9Very high95.4Very high133 Ų13360.5 Ų60.562%0.62129%0.291SS*.SBendtrans-62.6-31.4174.8-71.8-173.4-15200112.4F455 K457E436-F455 PolarHBondContact N-O 2.76Å; E436-K457 HydrophobicContact CB-CG 3.85Å; E436-K457 WeakPolarHBondContact OE2-CG 3.4Å
437S95.3Very high95.5Very high33 Ų3358.2 Ų58.223%0.23128%0.277CS..SBendtrans-146.6152.8166.565.60000109.1F435 K457 N458F435-S437 PolarHBondContact O-N 3.08Å; S437-K457 WeakPolarHBondContact OG-CA 3.33Å; S437-N458 PolarHBondContact OG-N 3.24Å
438I96.6Very high95.5Very high50 Ų5056.6 Ų56.626%0.25628%0.277SS..PPolyproline II helixtrans-66.1126.5173.3-55.1-63.1000109L391 M394 Y431L391-I438 HydrophobicContact CD1-CD1 4.26Å; L391-I438 HydrophobicContact CD1-CG2 4.12Å; M394-I438 HydrophobicContact CB-CD1 3.98Å; M394-I438 HydrophobicContact CB-CG1 3.98Å; M394-I438 HydrophobicContact CB-CG2 4.21Å; M394-I438 HydrophobicContact CE-CD1 4.01Å; M394-I438 HydrophobicContact CE-CG1 4.26Å; M394-I438 HydrophobicContact SD-CD1 4.03Å; Y431-I438 WeakPolarHBondContact OH-CD1 3.44Å
439P97.1Very high95.7Very high2 Ų256.4 Ų56.41%0.01328%0.275CS..PPolyproline II helixtrans-67.1158.2-178.527-34.7000112.1L391 F435 M441 V459 L461L391-P439 HydrophobicContact CD1-CG 4.29Å; F435-P439 HydrophobicContact CD1-CG 4.44Å; F435-P439 HydrophobicContact CE1-CG 4.12Å; P439-M441 HydrophobicContact CB-CG 4.44Å; P439-M441 HydrophobicContact CG-CG 4.03Å; P439-M441 HydrophobicContact CG-SD 4.06Å; P439-M441 PolarHBondContact O-N 2.87Å; P439-V459 CarbonylContact C-O 3.5Å; P439-V459 WeakPolarHBondContact CA-O 3.31Å; P439-V459 HydrophobicContact CB-CB 4.12Å; P439-V459 HydrophobicContact CB-CG1 4.21Å; P439-V459 WeakPolarHBondContact CB-O 3.41Å; P439-L461 HydrophobicContact CB-CD1 4.02Å; P439-L461 HydrophobicContact CB-CG 4.01Å; P439-L461 HydrophobicContact CG-CD1 3.79Å; P439-L461 HydrophobicContact CG-CG 4.34Å
440D97.1Very high95.8Very high48 Ų4853.7 Ų53.726%0.25727%0.274SS..BIsolated β-bridgetrans-67.3124.6162.7167.229.6000109.1N396 L442 V459 S460 L461N396-D440 PolarHBondContact ND2-OD1 2.7Å; N396-D440 PolarHBondContact OD1-OD1 2.84Å; D440-L442 WeakPolarHBondContact OD1-CB 3.45Å; D440-L442 PolarHBondContact OD1-N 2.92Å; D440-L442 VanDerWaalsContact OD1-N 3.08Å; D440-V459 PolarHBondContact N-O 3.28Å; D440-S460 PolarHBondContact OD2-OG 2.86Å; D440-L461 PolarHBondContact O-N 3.39Å
441M96.6Very high95.7Very high0 Ų053.4 Ų53.40%028%0.28CS..  trans-129.218-176.9-60.6175.873.800111.4L391 L392 N396 R411 V419 P439 E443 L444 L447 L461L391-M441 HydrophobicContact CD1-SD 4.07Å; L391-M441 HydrophobicContact CD2-CE 3.97Å; L391-M441 HydrophobicContact CD2-SD 4.11Å; L391-M441 HydrophobicContact CG-CE 3.99Å; L391-M441 HydrophobicContact CG-SD 3.69Å; L392-M441 HydrophobicContact CD2-CE 4.41Å; N396-M441 PolarHBondContact OD1-N 3.15Å; R411-M441 PolarHBondContact NH1-O 2.94Å; V419-M441 HydrophobicContact CG2-CE 3.6Å; P439-M441 HydrophobicContact CB-CG 4.44Å; P439-M441 HydrophobicContact CG-CG 4.03Å; P439-M441 HydrophobicContact CG-SD 4.06Å; P439-M441 PolarHBondContact O-N 2.87Å; M441-E443 VanDerWaalsContact C-N 3.32Å; M441-E443 PolarHBondContact O-N 2.78Å; M441-L444 HydrophobicContact CB-CB 4.23Å; M441-L444 HydrophobicContact CB-CD2 4.17Å; M441-L444 HydrophobicContact CE-CD2 3.24Å; M441-L444 HydrophobicContact CG-CD2 4.25Å; M441-L444 WeakPolarHBondContact O-CB 3.21Å; M441-L444 PolarHBondContact O-N 2.96Å; M441-L447 HydrophobicContact CE-CD2 4.14Å; M441-L461 HydrophobicContact CG-CD1 4.46Å
442L95Very high95.7Very high28 Ų2859.8 Ų59.815%0.14731%0.314CS..THydrogen-bonded Turntrans-67.5-33.9-172.8-169.367.5000112.5K410 R411 D440K410-L442 HydrophobicContact CB-CD1 4.25Å; K410-L442 HydrophobicContact CB-CD2 3.65Å; K410-L442 HydrophobicContact CB-CG 4.47Å; K410-L442 HydrophobicContact CD-CD2 4.41Å; R411-L442 HydrophobicContact CB-CD1 4.18Å; R411-L442 WeakPolarHBondContact CD-O 3.38Å; R411-L442 PolarHBondContact NH1-O 2.82Å; D440-L442 WeakPolarHBondContact OD1-CB 3.45Å; D440-L442 PolarHBondContact OD1-N 2.92Å; D440-L442 VanDerWaalsContact OD1-N 3.08Å
443E94.2Very high95.9Very high97 Ų9757.7 Ų57.745%0.45331%0.305SS..THydrogen-bonded Turntrans-104.620178.5-64.5170.5-145.700112.4M441 K462 N463M441-E443 VanDerWaalsContact C-N 3.32Å; M441-E443 PolarHBondContact O-N 2.78Å; E443-K462 HydrophobicContact CB-CB 4.33Å; E443-K462 HydrophobicContact CB-CG 4.17Å; E443-K462 IonicContact OE1-NZ 2.74Å; E443-K462 PolarHBondContact OE1-NZ 2.78Å; E443-K462 VanDerWaalsContact OE2-CD 3.31Å; E443-K462 WeakPolarHBondContact OE2-CD 3.2Å; E443-K462 WeakPolarHBondContact OE2-CE 3.12Å; E443-K462 IonicContact OE2-NZ 2.76Å; E443-K462 PolarHBondContact OE2-NZ 3.01Å; E443-N463 CarbonylContact O-C 3.6Å; E443-N463 PolarHBondContact O-N 2.9Å
444L95.2Very high95.9Very high4 Ų454.6 Ų54.62%0.02131%0.305CS..  trans-87.3136.2-179.7-179.470.4000111.5R411 P417 V419 M441 H446 L447 L461R411-L444 PolarHBondContact NH1-O 3.43Å; R411-L444 PolarHBondContact NH2-O 3.49Å; P417-L444 HydrophobicContact CB-CB 4.48Å; P417-L444 HydrophobicContact CB-CD2 4.2Å; P417-L444 HydrophobicContact CB-CG 4.16Å; P417-L444 VanDerWaalsContact CB-O 3.28Å; P417-L444 WeakPolarHBondContact CB-O 3.02Å; P417-L444 HydrophobicContact CG-CD2 4.48Å; V419-L444 HydrophobicContact CG2-CD2 4.23Å; M441-L444 HydrophobicContact CB-CB 4.23Å; M441-L444 HydrophobicContact CB-CD2 4.17Å; M441-L444 HydrophobicContact CE-CD2 3.24Å; M441-L444 HydrophobicContact CG-CD2 4.25Å; M441-L444 WeakPolarHBondContact O-CB 3.21Å; M441-L444 PolarHBondContact O-N 2.96Å; L444-H446 WeakPolarHBondContact CD1-O 3.45Å; L444-L447 HydrophobicContact CD1-CB 4.25Å; L444-L447 HydrophobicContact CD2-CB 3.93Å; L444-L461 HydrophobicContact CD1-CB 4.09Å
445D91.5Very high95.9Very high75 Ų7554.6 Ų54.640%0.40131%0.306SS..SBendtrans-106.1-39166.5-71.6-20.9000113R411 P417 L418 N463R411-D445 IonicContact NH2-OD1 2.74Å; R411-D445 PolarHBondContact NH2-OD1 3.46Å; P417-D445 VanDerWaalsContact CA-O 3.3Å; P417-D445 WeakPolarHBondContact CA-O 3.07Å; P417-D445 WeakPolarHBondContact CB-O 3.4Å; L418-D445 PolarHBondContact N-O 3.48Å; D445-N463 WeakPolarHBondContact CB-O 3.47Å; D445-N463 PolarHBondContact N-O 3.13Å
446H93.9Very high96Very high103 Ų10355.4 Ų55.448%0.47732%0.318SS..EExtended strand (participates in β ladder)trans-143.5131.7-176.6-173.686.7000113.2L418 L444 T448L418-H446 WeakPolarHBondContact O-CA 3.34Å; L444-H446 WeakPolarHBondContact CD1-O 3.45Å; H446-T448 PolarHBondContact NE2-OG1 2.78Å
447L95.7Very high96Very high19 Ų1956 Ų5610%0.09932%0.319CS..EExtended strand (participates in β ladder)trans-132123.3173.2177.963.8000110.4L391 L418 V419 K420 L421 M441 L444 V449 L461L391-L447 HydrophobicContact CD2-CD2 3.92Å; L418-L447 PolarHBondContact O-N 3.1Å; V419-L447 CarbonylContact C-O 3.6Å; V419-L447 WeakPolarHBondContact CA-O 3.28Å; V419-L447 HydrophobicContact CG1-CD2 4.14Å; V419-L447 HydrophobicContact CG2-CB 4.22Å; K420-L447 PolarHBondContact N-O 2.99Å; L421-L447 HydrophobicContact CD2-CD2 4.49Å; M441-L447 HydrophobicContact CE-CD2 4.14Å; L444-L447 HydrophobicContact CD1-CB 4.25Å; L444-L447 HydrophobicContact CD2-CB 3.93Å; L447-V449 HydrophobicContact CD1-CG2 3.63Å; L447-V449 HydrophobicContact CD2-CG2 4.34Å; L447-V449 HydrophobicContact CG-CG2 3.9Å; L447-L461 HydrophobicContact CD1-CD1 4.1Å; L447-L461 HydrophobicContact CD2-CD1 3.71Å
448T96.5Very high96Very high83 Ų8361.4 Ų61.451%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-126.3123167.5-66.80000109.1K420 H446K420-T448 WeakPolarHBondContact O-CA 3.36Å; H446-T448 PolarHBondContact NE2-OG1 2.78Å
449V96.6Very high96Very high13 Ų1361 Ų618%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-124.8125.7179.7-1750000108.5K420 L421 G422 F425 L447 V453 F455K420-V449 PolarHBondContact O-N 2.83Å; L421-V449 HydrophobicContact CD2-CB 4.08Å; L421-V449 HydrophobicContact CD2-CG2 4.02Å; G422-V449 WeakPolarHBondContact CA-O 3.47Å; G422-V449 PolarHBondContact N-O 2.66Å; F425-V449 HydrophobicContact CE2-CG1 3.77Å; F425-V449 HydrophobicContact CZ-CG1 4.01Å; L447-V449 HydrophobicContact CD1-CG2 3.63Å; L447-V449 HydrophobicContact CD2-CG2 4.34Å; L447-V449 HydrophobicContact CG-CG2 3.9Å; V449-V453 HydrophobicContact CG1-CB 3.75Å; V449-V453 HydrophobicContact CG1-CG1 3.87Å; V449-V453 HydrophobicContact CG1-CG2 3.86Å; V449-F455 HydrophobicContact CG1-CE2 4.16Å; V449-F455 HydrophobicContact CG1-CZ 4.24Å; V449-F455 HydrophobicContact CG2-CE2 4.31Å; V449-F455 HydrophobicContact CG2-CZ 3.79Å
450S96.2Very high96Very high100 Ų10063.6 Ų63.670%0.69936%0.363SS*.  trans-135.2150.6178.7-171.30000110.6
451G94.8Very high96Very high34 Ų3462.7 Ų62.735%0.35136%0.358SS..SBendtrans88.9-162.8-178.600000114.1S424 V453S424-G451 VanDerWaalsContact CB-O 3.31Å; S424-G451 WeakPolarHBondContact CB-O 3.49Å; S424-G451 PolarHBondContact OG-O 2.99Å; G451-V453 PolarHBondContact O-N 2.74Å
452D96.4Very high95.8Very high134 Ų13467.2 Ų67.272%0.71738%0.378SS*.SBendtrans-89.283.5-178.5-164.95.9000110.2R434R434-D452 IonicContact CZ-OD1 3.07Å; R434-D452 IonicContact NH1-OD1 2.66Å; R434-D452 PolarHBondContact NH1-OD1 3.33Å; R434-D452 IonicContact NH2-OD1 2.95Å; R434-D452 PolarHBondContact NH2-OD1 2.75Å
453V97.9Very high94.8Very high47 Ų4774 Ų7429%0.28541%0.414SS..  trans-114.3143.4-174.1-178.60000110.7F425 R434 V449 G451 F455F425-V453 HydrophobicContact CE2-CB 4.38Å; F425-V453 HydrophobicContact CZ-CB 4.19Å; F425-V453 WeakPolarHBondContact CZ-O 3.41Å; R434-V453 PolarHBondContact NH1-O 2.93Å; V449-V453 HydrophobicContact CG1-CB 3.75Å; V449-V453 HydrophobicContact CG1-CG1 3.87Å; V449-V453 HydrophobicContact CG1-CG2 3.86Å; G451-V453 PolarHBondContact O-N 2.74Å; V453-F455 HydrophobicContact CG1-CD2 4.38Å; V453-F455 HydrophobicContact CG1-CE2 3.83Å; V453-F455 HydrophobicContact CG1-CZ 4.15Å
454T97.2Very high94.8Very high106 Ų10672.9 Ų72.965%0.6541%0.412SS*.  trans-128.8149.8172.6540000110.4R434R434-T454 HydrophobicContact CG-CG2 4.34Å; R434-T454 CarbonylContact O-C 3.53Å; R434-T454 WeakPolarHBondContact O-CA 3.36Å
455F98Very high94.8Very high25 Ų2576.5 Ų76.511%0.1143%0.433CS..BIsolated β-bridgetrans-119.6122.4179.1-67.3-95.7000109.2F425 R434 F435 E436 V449 V453 V459 L461F425-F455 HydrophobicContact CE1-CE2 4.34Å; F425-F455 HydrophobicContact CZ-CE2 4.08Å; R434-F455 PolarHBondContact O-N 2.78Å; F435-F455 HydrophobicContact CD1-CB 3.5Å; F435-F455 HydrophobicContact CD1-CD1 4.48Å; F435-F455 AromaticContact CD1-CD2 3.69Å; F435-F455 HydrophobicContact CD1-CD2 3.69Å; F435-F455 AromaticContact CD1-CG 3.65Å; F435-F455 HydrophobicContact CD1-CG 3.65Å; F435-F455 HydrophobicContact CE1-CB 3.78Å; F435-F455 AromaticContact CE1-CD1 3.91Å; F435-F455 HydrophobicContact CE1-CD1 3.91Å; F435-F455 AromaticContact CE1-CD2 3.17Å; F435-F455 HydrophobicContact CE1-CD2 3.17Å; F435-F455 HydrophobicContact CE1-CE1 4.3Å; F435-F455 AromaticContact CE1-CE2 3.64Å; F435-F455 HydrophobicContact CE1-CE2 3.64Å; F435-F455 AromaticContact CE1-CG 3.34Å; F435-F455 HydrophobicContact CE1-CG 3.34Å; F435-F455 HydrophobicContact CE1-CZ 4.19Å; F435-F455 HydrophobicContact CE2-CD2 4.18Å; F435-F455 HydrophobicContact CE2-CE2 4.41Å; F435-F455 HydrophobicContact CG-CB 4.34Å; F435-F455 HydrophobicContact CG-CD2 4.37Å; F435-F455 AromaticContact CZ-CD2 3.45Å; F435-F455 HydrophobicContact CZ-CD2 3.45Å; F435-F455 VanDerWaalsContact CZ-CD2 3.45Å; F435-F455 AromaticContact CZ-CE2 3.54Å; F435-F455 HydrophobicContact CZ-CE2 3.54Å; F435-F455 HydrophobicContact CZ-CG 4.11Å; F435-F455 HydrophobicContact CZ-CZ 4.26Å; E436-F455 PolarHBondContact N-O 2.76Å; V449-F455 HydrophobicContact CG1-CE2 4.16Å; V449-F455 HydrophobicContact CG1-CZ 4.24Å; V449-F455 HydrophobicContact CG2-CE2 4.31Å; V449-F455 HydrophobicContact CG2-CZ 3.79Å; V453-F455 HydrophobicContact CG1-CD2 4.38Å; V453-F455 HydrophobicContact CG1-CE2 3.83Å; V453-F455 HydrophobicContact CG1-CZ 4.15Å; F455-V459 HydrophobicContact CD1-CG1 4.21Å; F455-L461 HydrophobicContact CE1-CD2 4.39Å
456G97.5Very high95Very high30 Ų3076.6 Ų76.631%0.30944%0.435SS..  trans-74.9-173.2174.800000112.9V459G456-V459 WeakPolarHBondContact O-CG2 3.44Å
457K96.7Very high95.1Very high144 Ų14475.1 Ų75.163%0.62643%0.432SS*.THydrogen-bonded Turntrans-69.8146.3178.1-68.6176-172.9179.40112.6E436 S437 V459E436-K457 HydrophobicContact CB-CG 3.85Å; E436-K457 WeakPolarHBondContact OE2-CG 3.4Å; S437-K457 WeakPolarHBondContact OG-CA 3.33Å; K457-V459 PolarHBondContact O-N 2.79Å
458N95.2Very high95Very high148 Ų14878.6 Ų78.679%0.79145%0.453SS*.THydrogen-bonded Turntrans5929.5170.7-51.4-38.4000114.7S437S437-N458 PolarHBondContact OG-N 3.24Å
459V97.6Very high94.9Very high42 Ų4278.3 Ų78.326%0.25545%0.449SS..  trans-64.5136.5170.9174.80000109.2P439 D440 F455 G456 K457 L461P439-V459 CarbonylContact C-O 3.5Å; P439-V459 WeakPolarHBondContact CA-O 3.31Å; P439-V459 HydrophobicContact CB-CB 4.12Å; P439-V459 HydrophobicContact CB-CG1 4.21Å; P439-V459 WeakPolarHBondContact CB-O 3.41Å; D440-V459 PolarHBondContact N-O 3.28Å; F455-V459 HydrophobicContact CD1-CG1 4.21Å; G456-V459 WeakPolarHBondContact O-CG2 3.44Å; K457-V459 PolarHBondContact O-N 2.79Å; V459-L461 HydrophobicContact CG1-CD2 3.7Å; V459-L461 HydrophobicContact CG1-CG 4.12Å
460S96.9Very high94.8Very high56 Ų5682.9 Ų82.939%0.39248%0.476SS..BIsolated β-bridgetrans-115127.4170.8-179.20000108.7D440 K462D440-S460 PolarHBondContact OD2-OG 2.86Å; S460-K462 WeakPolarHBondContact OG-CE 3.31Å
461L96.2Very high94.7Very high28 Ų2881.6 Ų81.615%0.14746%0.459CS..  trans-111.2113.5179.1-56.6178.2000107.6P439 D440 M441 L444 L447 F455 V459P439-L461 HydrophobicContact CB-CD1 4.02Å; P439-L461 HydrophobicContact CB-CG 4.01Å; P439-L461 HydrophobicContact CG-CD1 3.79Å; P439-L461 HydrophobicContact CG-CG 4.34Å; D440-L461 PolarHBondContact O-N 3.39Å; M441-L461 HydrophobicContact CG-CD1 4.46Å; L444-L461 HydrophobicContact CD1-CB 4.09Å; L447-L461 HydrophobicContact CD1-CD1 4.1Å; L447-L461 HydrophobicContact CD2-CD1 3.71Å; F455-L461 HydrophobicContact CE1-CD2 4.39Å; V459-L461 HydrophobicContact CG1-CD2 3.7Å; V459-L461 HydrophobicContact CG1-CG 4.12Å
462K93.3Very high94.7Very high96 Ų9685.6 Ų85.642%0.41747%0.468SS..  trans-123.7158.9-178.3-56.9-177.3166.7-131.70109.6E443 S460E443-K462 HydrophobicContact CB-CB 4.33Å; E443-K462 HydrophobicContact CB-CG 4.17Å; E443-K462 IonicContact OE1-NZ 2.74Å; E443-K462 PolarHBondContact OE1-NZ 2.78Å; E443-K462 VanDerWaalsContact OE2-CD 3.31Å; E443-K462 WeakPolarHBondContact OE2-CD 3.2Å; E443-K462 WeakPolarHBondContact OE2-CE 3.12Å; E443-K462 IonicContact OE2-NZ 2.76Å; E443-K462 PolarHBondContact OE2-NZ 3.01Å; S460-K462 WeakPolarHBondContact OG-CE 3.31Å
463N73.8Confident94.6Very high171 Ų17181.2 Ų81.291%0.91445%0.445SS*.  trans136.60165-73.9-35.8000109.3E443 D445E443-N463 CarbonylContact O-C 3.6Å; E443-N463 PolarHBondContact O-N 2.9Å; D445-N463 WeakPolarHBondContact CB-O 3.47Å; D445-N463 PolarHBondContact N-O 3.13Å

Retrieved 463 of 463 residues in 93.6 ms (Link to these results)

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