G4VJJ1_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)-interacting protein

One HIP oligomer binds the ATPase domains of at least two HSC70 molecules dependent on activation of the HSC70 ATPase by HSP40. Stabilizes the ADP state of HSC70 that has a high affinity for substrate protein. Through its own chaperone activity, it may contribute to the interaction of HSC70 with various target proteins.

AlphaFold DB , UniProt , Accession G4VJJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 356 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
1M63Low87.7Confident217 Ų217113.7 Ų113.7100%1.06958%0.581SS**  0136.60-91.4179.5178.500108.6V6M1-V6 HydrophobicContact CB-CG2 3.81Å; M1-V6 HydrophobicContact CG-CG2 4.37Å; M1-V6 HydrophobicContact SD-CG2 3.91Å
2N86.5Confident88.2Confident76 Ų76109.2 Ų109.241%0.40655%0.554SS.*  trans-65.9125.3174.7178-21.2000109.2E4 K5 V6N2-E4 VanDerWaalsContact C-N 3.27Å; N2-E4 PolarHBondContact O-N 2.88Å; N2-E4 PolarHBondContact OD1-N 2.99Å; N2-K5 HydrophobicContact CB-CB 4.35Å; N2-K5 HydrophobicContact CB-CD 4.25Å; N2-K5 HydrophobicContact CB-CG 4.12Å; N2-K5 PolarHBondContact O-N 3.01Å; N2-V6 WeakPolarHBondContact O-CG2 3.41Å; N2-V6 PolarHBondContact O-N 3.29Å
3P88.8Confident88.4Confident104 Ų104105.8 Ų105.868%0.67554%0.542SS*.Hα-helixtrans-58.7-34.5-176.623.3-34.3000113.6V6 A7P3-V6 PolarHBondContact O-N 2.99Å; P3-A7 PolarHBondContact O-N 3.36Å
4E88Confident88.8Confident142 Ų142106.9 Ų106.966%0.66454%0.544SS*.Hα-helixtrans-67.2-42.6179.4-63.9178.5161.700111.7N2 V6 A7 L8N2-E4 VanDerWaalsContact C-N 3.27Å; N2-E4 PolarHBondContact O-N 2.88Å; N2-E4 PolarHBondContact OD1-N 2.99Å; E4-V6 VanDerWaalsContact C-N 3.27Å; E4-V6 PolarHBondContact O-N 3.2Å; E4-A7 WeakPolarHBondContact O-CB 3.18Å; E4-A7 PolarHBondContact O-N 3.01Å; E4-A7 VanDerWaalsContact O-N 3.14Å; E4-L8 PolarHBondContact O-N 3.38Å
5K89Confident88.9Confident149 Ų149104.3 Ų104.365%0.64853%0.532SS*.Hα-helixtrans-63.4-36.3176-65.5-170.8177-174.30111.5N2 L9N2-K5 HydrophobicContact CB-CB 4.35Å; N2-K5 HydrophobicContact CB-CD 4.25Å; N2-K5 HydrophobicContact CB-CG 4.12Å; N2-K5 PolarHBondContact O-N 3.01Å; K5-L9 WeakPolarHBondContact O-CB 3.08Å; K5-L9 PolarHBondContact O-N 3.28Å
6V91.4Very high88.9Confident47 Ų4799.6 Ų99.629%0.28551%0.507SS..Hα-helixtrans-68-38175176.50000111.1M1 N2 P3 E4 L9 K10M1-V6 HydrophobicContact CB-CG2 3.81Å; M1-V6 HydrophobicContact CG-CG2 4.37Å; M1-V6 HydrophobicContact SD-CG2 3.91Å; N2-V6 WeakPolarHBondContact O-CG2 3.41Å; N2-V6 PolarHBondContact O-N 3.29Å; P3-V6 PolarHBondContact O-N 2.99Å; E4-V6 VanDerWaalsContact C-N 3.27Å; E4-V6 PolarHBondContact O-N 3.2Å; V6-L9 PolarHBondContact O-N 3.04Å; V6-K10 WeakPolarHBondContact O-CG 3.23Å; V6-K10 PolarHBondContact O-N 3.24Å
7A91.4Very high88.8Confident45 Ų45106.1 Ų106.137%0.37252%0.524SS..Hα-helixtrans-65-45.617600000112P3 E4 L9 K10 Q11P3-A7 PolarHBondContact O-N 3.36Å; E4-A7 WeakPolarHBondContact O-CB 3.18Å; E4-A7 PolarHBondContact O-N 3.01Å; E4-A7 VanDerWaalsContact O-N 3.14Å; A7-L9 VanDerWaalsContact C-N 3.33Å; A7-L9 PolarHBondContact O-N 3.48Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.56Å; A7-Q11 WeakPolarHBondContact O-CG 3.44Å; A7-Q11 PolarHBondContact O-N 3.31Å
8L91.2Very high88.9Confident111 Ų111108.8 Ų108.858%0.58154%0.535SS*.Hα-helixtrans-59.5-43.3174.1-76166000111.9E4 K10 Q11 F12E4-L8 PolarHBondContact O-N 3.38Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.39Å; L8-Q11 PolarHBondContact O-N 2.83Å; L8-F12 PolarHBondContact O-N 3.41Å
9L91.3Very high88.8Confident100 Ų100109.6 Ų109.652%0.52454%0.536SS..Hα-helixtrans-62.2-39.9176.8-176.563.4000111.8K5 V6 A7 F12 V13K5-L9 WeakPolarHBondContact O-CB 3.08Å; K5-L9 PolarHBondContact O-N 3.28Å; V6-L9 PolarHBondContact O-N 3.04Å; A7-L9 VanDerWaalsContact C-N 3.33Å; A7-L9 PolarHBondContact O-N 3.48Å; L9-F12 PolarHBondContact O-N 3.18Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.1Å
10K92.2Very high88.6Confident139 Ų139106.7 Ų106.760%0.60453%0.525SS*.Hα-helixtrans-61.7-46.3175.6-76.3177.8177.8-176.70111.8V6 A7 L8 F12 V13 E14V6-K10 WeakPolarHBondContact O-CG 3.23Å; V6-K10 PolarHBondContact O-N 3.24Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.56Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.39Å; K10-F12 VanDerWaalsContact C-N 3.3Å; K10-F12 PolarHBondContact O-N 2.93Å; K10-V13 PolarHBondContact O-N 3.3Å; K10-E14 WeakPolarHBondContact O-CG 3.43Å; K10-E14 PolarHBondContact O-N 3.48Å
11Q92.5Very high88.5Confident121 Ų121107.9 Ų107.957%0.56553%0.53SS*.Hα-helixtrans-60.4-41.2176.6-69.2174.2-1.200111.7A7 L8 E14 L15A7-Q11 WeakPolarHBondContact O-CG 3.44Å; A7-Q11 PolarHBondContact O-N 3.31Å; L8-Q11 PolarHBondContact O-N 2.83Å; Q11-E14 PolarHBondContact O-N 2.89Å; Q11-L15 PolarHBondContact O-N 3.35Å
12F93.2Very high89.6Confident59 Ų5999.3 Ų99.326%0.25949%0.489SS..Hα-helixtrans-65.3-40.6176.8-174.7-112.9000112.3L8 L9 K10 E14 L15 L16 L28 F31L8-F12 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 3.18Å; K10-F12 VanDerWaalsContact C-N 3.3Å; K10-F12 PolarHBondContact O-N 2.93Å; F12-E14 VanDerWaalsContact C-N 3.33Å; F12-E14 PolarHBondContact O-N 3.29Å; F12-L15 HydrophobicContact CD2-CD2 4.35Å; F12-L15 WeakPolarHBondContact O-CB 3.32Å; F12-L15 PolarHBondContact O-N 3.06Å; F12-L16 HydrophobicContact CD1-CD1 4.07Å; F12-L16 HydrophobicContact CE1-CD1 3.61Å; F12-L16 HydrophobicContact CE1-CG 4.18Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 HydrophobicContact CZ-CD2 4.27Å; F12-L16 HydrophobicContact CZ-CG 4.2Å; F12-L16 WeakPolarHBondContact O-CG 3.29Å; F12-L16 PolarHBondContact O-N 3.12Å; F12-L28 HydrophobicContact CE2-CD1 4.24Å; F12-L28 HydrophobicContact CZ-CD1 3.83Å; F12-L28 HydrophobicContact CZ-CD2 4.07Å; F12-F31 HydrophobicContact CE1-CD1 4.47Å; F12-F31 HydrophobicContact CE1-CE1 4.12Å
13V91.3Very high89.5Confident65 Ų6596.3 Ų96.339%0.39447%0.474SS..Hα-helixtrans-65.2-36.9175.1171.50000111.6L9 K10 L16 R17L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.1Å; K10-V13 PolarHBondContact O-N 3.3Å; V13-L16 PolarHBondContact O-N 3.39Å; V13-R17 WeakPolarHBondContact O-CG 3.33Å; V13-R17 PolarHBondContact O-N 3.18Å; V13-R17 VanDerWaalsContact O-N 3.11Å
14E92.9Very high89.2Confident121 Ų12194 Ų9457%0.56546%0.455SS*.Hα-helixtrans-63.3-45.1172.8-74.7173.2175.700111.5K10 Q11 F12 L16 R17 E18K10-E14 WeakPolarHBondContact O-CG 3.43Å; K10-E14 PolarHBondContact O-N 3.48Å; Q11-E14 PolarHBondContact O-N 2.89Å; F12-E14 VanDerWaalsContact C-N 3.33Å; F12-E14 PolarHBondContact O-N 3.29Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.29Å; E14-R17 WeakPolarHBondContact O-CB 3.33Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 VanDerWaalsContact O-N 3.09Å; E14-E18 PolarHBondContact O-N 3.25Å; E14-E18 VanDerWaalsContact O-N 3.14Å
15L91.3Very high89.2Confident69 Ų6989.6 Ų89.636%0.36144%0.438SS..Hα-helixtrans-56.6-44174.2178.769.1000112Q11 F12 R17 E18 K19Q11-L15 PolarHBondContact O-N 3.35Å; F12-L15 HydrophobicContact CD2-CD2 4.35Å; F12-L15 WeakPolarHBondContact O-CB 3.32Å; F12-L15 PolarHBondContact O-N 3.06Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.29Å; L15-E18 PolarHBondContact O-N 3.07Å; L15-K19 PolarHBondContact O-N 3.44Å
16L88.8Confident89.1Confident28 Ų2887.7 Ų87.715%0.14744%0.441CS..Hα-helixtrans-67.5-27.8178.6-70.5-177.4000113.2F12 V13 E14 K19 P20 V22 L23 F31F12-L16 HydrophobicContact CD1-CD1 4.07Å; F12-L16 HydrophobicContact CE1-CD1 3.61Å; F12-L16 HydrophobicContact CE1-CG 4.18Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 HydrophobicContact CZ-CD2 4.27Å; F12-L16 HydrophobicContact CZ-CG 4.2Å; F12-L16 WeakPolarHBondContact O-CG 3.29Å; F12-L16 PolarHBondContact O-N 3.12Å; V13-L16 PolarHBondContact O-N 3.39Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.29Å; L16-K19 CarbonylContact O-C 3.59Å; L16-P20 WeakPolarHBondContact O-CA 3.31Å; L16-V22 HydrophobicContact CD2-CB 4.07Å; L16-V22 HydrophobicContact CD2-CG1 4.32Å; L16-L23 HydrophobicContact CD1-CD2 4.04Å; L16-L23 HydrophobicContact CD2-CD2 3.89Å; L16-L23 HydrophobicContact CD2-CG 3.8Å; L16-F31 HydrophobicContact CD1-CE1 3.9Å
17R87.6Confident88.9Confident211 Ų21193.1 Ų93.180%0.79646%0.463SS*.Hα-helixtrans-70.5-37.4172.9-75.2-179.9178.9-157.4-0.3112V13 E14 L15V13-R17 WeakPolarHBondContact O-CG 3.33Å; V13-R17 PolarHBondContact O-N 3.18Å; V13-R17 VanDerWaalsContact O-N 3.11Å; E14-R17 WeakPolarHBondContact O-CB 3.33Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 VanDerWaalsContact O-N 3.09Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.29Å
18E89.2Confident88.8Confident154 Ų15492.4 Ų92.472%0.7245%0.453SS*.Hα-helixtrans-77.6-38.4177.6-66.8-174.1172.400112.3E14 L15E14-E18 PolarHBondContact O-N 3.25Å; E14-E18 VanDerWaalsContact O-N 3.14Å; L15-E18 PolarHBondContact O-N 3.07Å
19K88.1Confident88.6Confident125 Ų12590 Ų9054%0.54345%0.446SS..  trans-136.780.5-173.5-64.8-178.1-176.7173.70111L15 L16 E21 V22L15-K19 PolarHBondContact O-N 3.44Å; L16-K19 CarbonylContact O-C 3.59Å; K19-E21 PolarHBondContact O-N 3.04Å; K19-E21 VanDerWaalsContact O-N 3.15Å; K19-V22 HydrophobicContact CB-CG2 3.93Å; K19-V22 WeakPolarHBondContact O-CG2 3.49Å; K19-V22 PolarHBondContact O-N 3.05Å
20P85.4Confident88.6Confident51 Ų5192 Ų9233%0.33145%0.451SS..G310 helixtrans-64.2-2017925.5-34000113.1L16 V22 L23 P43L16-P20 WeakPolarHBondContact O-CA 3.31Å; P20-V22 PolarHBondContact O-N 3.15Å; P20-L23 WeakPolarHBondContact O-CB 3.5Å; P20-L23 PolarHBondContact O-N 2.92Å; P20-P43 HydrophobicContact CB-CG 4.33Å
21E85.2Confident88.5Confident131 Ų13187.6 Ų87.661%0.61243%0.431SS*.G310 helixtrans-62.5-22.2178.7-51.1-172.1156.900113.3K19 L23 N24 S45K19-E21 PolarHBondContact O-N 3.04Å; K19-E21 VanDerWaalsContact O-N 3.15Å; E21-L23 PolarHBondContact O-N 3.08Å; E21-L23 VanDerWaalsContact O-N 3.15Å; E21-N24 VanDerWaalsContact O-CB 3.31Å; E21-N24 WeakPolarHBondContact O-CB 3.39Å; E21-N24 PolarHBondContact O-N 2.8Å; E21-S45 WeakPolarHBondContact CG-OG 3.28Å
22V86.2Confident88.3Confident37 Ų3783.9 Ų83.922%0.22441%0.413CS..G310 helixtrans-57.7-29.9176.8176.50000111.2L16 K19 P20 N24 T25 L28L16-V22 HydrophobicContact CD2-CB 4.07Å; L16-V22 HydrophobicContact CD2-CG1 4.32Å; K19-V22 HydrophobicContact CB-CG2 3.93Å; K19-V22 WeakPolarHBondContact O-CG2 3.49Å; K19-V22 PolarHBondContact O-N 3.05Å; P20-V22 PolarHBondContact O-N 3.15Å; V22-N24 PolarHBondContact O-N 3.43Å; V22-N24 VanDerWaalsContact O-N 3.12Å; V22-T25 WeakPolarHBondContact O-CB 3.4Å; V22-T25 WeakPolarHBondContact O-CG2 3.33Å; V22-T25 PolarHBondContact O-N 3.34Å; V22-T25 VanDerWaalsContact O-N 3.13Å; V22-T25 PolarHBondContact O-OG1 3.01Å; V22-L28 HydrophobicContact CG1-CD1 3.74Å
23L84.6Confident88Confident14 Ų1485.4 Ų85.47%0.07342%0.424CS..G310 helixtrans-63.4-15.1174.8-67.3172.5000113.6L16 P20 E21 T25 F31 K32 L35 V42L16-L23 HydrophobicContact CD1-CD2 4.04Å; L16-L23 HydrophobicContact CD2-CD2 3.89Å; L16-L23 HydrophobicContact CD2-CG 3.8Å; P20-L23 WeakPolarHBondContact O-CB 3.5Å; P20-L23 PolarHBondContact O-N 2.92Å; E21-L23 PolarHBondContact O-N 3.08Å; E21-L23 VanDerWaalsContact O-N 3.15Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-F31 HydrophobicContact CD2-CD1 3.6Å; L23-F31 HydrophobicContact CD2-CE1 3.85Å; L23-K32 WeakPolarHBondContact O-CD 3.38Å; L23-L35 HydrophobicContact CD1-CD1 3.89Å; L23-L35 HydrophobicContact CD2-CD1 3.95Å; L23-V42 HydrophobicContact CB-CG1 4.17Å; L23-V42 HydrophobicContact CD1-CG1 3.92Å; L23-V42 HydrophobicContact CD1-CG2 4.44Å
24N83.1Confident88Confident54 Ų5488.8 Ų88.829%0.28943%0.43SS..G310 helixtrans-87.2-1178-62.9-39.4000113.3E21 V22 K32 S45E21-N24 VanDerWaalsContact O-CB 3.31Å; E21-N24 WeakPolarHBondContact O-CB 3.39Å; E21-N24 PolarHBondContact O-N 2.8Å; V22-N24 PolarHBondContact O-N 3.43Å; V22-N24 VanDerWaalsContact O-N 3.12Å; N24-K32 PolarHBondContact OD1-NZ 3.32Å; N24-S45 PolarHBondContact ND2-OG 3.1Å
25T86.8Confident87.9Confident50 Ų5084.6 Ų84.631%0.30741%0.411SS..SBendtrans-70.2143.6173.354.90000111.6V22 L23 E27 L28V22-T25 WeakPolarHBondContact O-CB 3.4Å; V22-T25 WeakPolarHBondContact O-CG2 3.33Å; V22-T25 PolarHBondContact O-N 3.34Å; V22-T25 VanDerWaalsContact O-N 3.13Å; V22-T25 PolarHBondContact O-OG1 3.01Å; L23-T25 VanDerWaalsContact C-N 3.33Å; T25-E27 PolarHBondContact O-N 3.39Å; T25-L28 PolarHBondContact O-N 3.17Å; T25-L28 VanDerWaalsContact O-N 3.14Å
26P87.6Confident87.7Confident110 Ų11086.6 Ų86.671%0.71442%0.417SS*.G310 helixtrans-61.4-32.8-178.122.2-31.8000112.7L28 S29P26-L28 PolarHBondContact O-N 3.33Å; P26-S29 WeakPolarHBondContact O-CB 3.41Å; P26-S29 PolarHBondContact O-N 3.43Å; P26-S29 PolarHBondContact O-OG 3.36Å
27E87.8Confident87.7Confident160 Ų16089.5 Ų89.575%0.74844%0.44SS*.G310 helixtrans-61.6-27.6178.2-64.8160.8-174.800113T25 F30T25-E27 PolarHBondContact O-N 3.39Å; E27-F30 WeakPolarHBondContact O-CE1 2.92Å
28L88.7Confident87.9Confident30 Ų3085 Ų8516%0.15743%0.431CS..G310 helixtrans-104.913.3-178.6-65.1176000113.4F12 V22 T25 P26 F30 F31 K32F12-L28 HydrophobicContact CE2-CD1 4.24Å; F12-L28 HydrophobicContact CZ-CD1 3.83Å; F12-L28 HydrophobicContact CZ-CD2 4.07Å; V22-L28 HydrophobicContact CG1-CD1 3.74Å; T25-L28 PolarHBondContact O-N 3.17Å; T25-L28 VanDerWaalsContact O-N 3.14Å; P26-L28 PolarHBondContact O-N 3.33Å; L28-F30 PolarHBondContact O-N 2.91Å; L28-F31 PolarHBondContact O-N 3.11Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L28-K32 PolarHBondContact O-N 2.98Å
29S86.3Confident87.7Confident61 Ų6180.9 Ų80.943%0.42743%0.43SS..Hα-helixtrans-53.2-47.717849.60000112.9P26 F31 K32 D33P26-S29 WeakPolarHBondContact O-CB 3.41Å; P26-S29 PolarHBondContact O-N 3.43Å; P26-S29 PolarHBondContact O-OG 3.36Å; S29-F31 VanDerWaalsContact C-N 3.27Å; S29-F31 PolarHBondContact O-N 3.27Å; S29-K32 WeakPolarHBondContact O-CB 3.5Å; S29-K32 PolarHBondContact O-N 3.29Å; S29-D33 PolarHBondContact O-N 3.24Å
30F91.1Very high87.5Confident143 Ų14377 Ų7763%0.62742%0.421SS*.Hα-helixtrans-59-37.517876.6-85.5000112.6E27 L28 W34E27-F30 WeakPolarHBondContact O-CE1 2.92Å; L28-F30 PolarHBondContact O-N 2.91Å; F30-W34 WeakPolarHBondContact O-CB 3.28Å; F30-W34 PolarHBondContact O-N 3.07Å
31F90.6Very high87.3Confident45 Ų4582.3 Ų82.320%0.19745%0.447CS..Hα-helixtrans-75.4-38.5-179.9-174.3-113.4000111.3F12 L16 L23 L28 S29 D33 W34 L35F12-F31 HydrophobicContact CE1-CD1 4.47Å; F12-F31 HydrophobicContact CE1-CE1 4.12Å; L16-F31 HydrophobicContact CD1-CE1 3.9Å; L23-F31 HydrophobicContact CD2-CD1 3.6Å; L23-F31 HydrophobicContact CD2-CE1 3.85Å; L28-F31 PolarHBondContact O-N 3.11Å; L28-F31 VanDerWaalsContact O-N 3.1Å; S29-F31 VanDerWaalsContact C-N 3.27Å; S29-F31 PolarHBondContact O-N 3.27Å; F31-D33 VanDerWaalsContact C-N 3.33Å; F31-D33 PolarHBondContact O-N 2.59Å; F31-W34 AromaticContact CD2-CE3 3.77Å; F31-W34 HydrophobicContact CD2-CE3 3.77Å; F31-W34 HydrophobicContact CD2-CZ3 4.23Å; F31-W34 AromaticContact CE2-CE3 3.48Å; F31-W34 HydrophobicContact CE2-CE3 3.48Å; F31-W34 VanDerWaalsContact CE2-CE3 3.48Å; F31-W34 AromaticContact CE2-CZ3 3.46Å; F31-W34 HydrophobicContact CE2-CZ3 3.46Å; F31-W34 VanDerWaalsContact CE2-CZ3 3.46Å; F31-W34 HydrophobicContact CZ-CE3 4.29Å; F31-W34 HydrophobicContact CZ-CZ3 4.07Å; F31-W34 PolarHBondContact O-N 3.04Å; F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE1-CG 4.22Å; F31-L35 HydrophobicContact CZ-CD1 4.28Å; F31-L35 HydrophobicContact CZ-CD2 4.39Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.33Å; F31-L35 PolarHBondContact O-N 3.21Å
32K87.8Confident86.7Confident43 Ų4376.8 Ų76.819%0.18742%0.422CS..Hα-helixtrans-60.1-42.2171.6-178.3178.3-178.6171.10111.6L23 N24 L28 S29 L35 K36L23-K32 WeakPolarHBondContact O-CD 3.38Å; N24-K32 PolarHBondContact OD1-NZ 3.32Å; L28-K32 PolarHBondContact O-N 2.98Å; S29-K32 WeakPolarHBondContact O-CB 3.5Å; S29-K32 PolarHBondContact O-N 3.29Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-K36 WeakPolarHBondContact O-CG 3.47Å; K32-K36 PolarHBondContact O-N 3.02Å
33D87.8Confident85.7Confident92 Ų9278.8 Ų78.849%0.49244%0.436SS..Hα-helixtrans-68.8-38.8177.9-70-21.2000111.8S29 F31 K36 S37S29-D33 PolarHBondContact O-N 3.24Å; F31-D33 VanDerWaalsContact C-N 3.33Å; F31-D33 PolarHBondContact O-N 2.59Å; D33-K36 PolarHBondContact O-N 3.13Å; D33-S37 PolarHBondContact O-N 3.32Å
34W91.3Very high84.7Confident136 Ų13683.9 Ų83.952%0.51547%0.467SS..Hα-helixtrans-60.8-45.2171.2178.272.7000112.2F30 F31 K36 S37 L38F30-W34 WeakPolarHBondContact O-CB 3.28Å; F30-W34 PolarHBondContact O-N 3.07Å; F31-W34 AromaticContact CD2-CE3 3.77Å; F31-W34 HydrophobicContact CD2-CE3 3.77Å; F31-W34 HydrophobicContact CD2-CZ3 4.23Å; F31-W34 AromaticContact CE2-CE3 3.48Å; F31-W34 HydrophobicContact CE2-CE3 3.48Å; F31-W34 VanDerWaalsContact CE2-CE3 3.48Å; F31-W34 AromaticContact CE2-CZ3 3.46Å; F31-W34 HydrophobicContact CE2-CZ3 3.46Å; F31-W34 VanDerWaalsContact CE2-CZ3 3.46Å; F31-W34 HydrophobicContact CZ-CE3 4.29Å; F31-W34 HydrophobicContact CZ-CZ3 4.07Å; F31-W34 PolarHBondContact O-N 3.04Å; W34-K36 VanDerWaalsContact C-N 3.35Å; W34-K36 PolarHBondContact O-N 3.21Å; W34-S37 WeakPolarHBondContact O-CB 3.29Å; W34-S37 PolarHBondContact O-N 3.46Å; W34-S37 VanDerWaalsContact O-N 3.13Å; W34-S37 PolarHBondContact O-OG 2.92Å; W34-L38 HydrophobicContact CD2-CD1 4.13Å; W34-L38 HydrophobicContact CE3-CD1 4.32Å; W34-L38 HydrophobicContact CH2-CD1 3.75Å; W34-L38 HydrophobicContact CZ2-CD1 3.52Å; W34-L38 HydrophobicContact CZ3-CD1 4.14Å; W34-L38 PolarHBondContact O-N 2.87Å
35L90Very high83.4Confident32 Ų3283.3 Ų83.317%0.16847%0.468CS..Hα-helixtrans-59.8-43.1175.4-74.8175.1000112.2L23 F31 K32 S37 L38 G39 A40 V42L23-L35 HydrophobicContact CD1-CD1 3.89Å; L23-L35 HydrophobicContact CD2-CD1 3.95Å; F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE1-CG 4.22Å; F31-L35 HydrophobicContact CZ-CD1 4.28Å; F31-L35 HydrophobicContact CZ-CD2 4.39Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.33Å; F31-L35 PolarHBondContact O-N 3.21Å; K32-L35 PolarHBondContact O-N 2.85Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 3.15Å; L35-L38 PolarHBondContact O-N 3.44Å; L35-G39 PolarHBondContact O-N 3.02Å; L35-A40 HydrophobicContact CB-CB 4.12Å; L35-A40 WeakPolarHBondContact O-CB 3.47Å; L35-A40 PolarHBondContact O-N 3.48Å; L35-V42 HydrophobicContact CB-CG2 4.35Å; L35-V42 HydrophobicContact CD1-CG2 4.49Å
36K86.9Confident81.7Confident112 Ų11288.8 Ų88.849%0.48749%0.49SS..Hα-helixtrans-61.8-38174.6-73.9174.9177.9175.90112.1K32 D33 W34 L38 G39K32-K36 WeakPolarHBondContact O-CG 3.47Å; K32-K36 PolarHBondContact O-N 3.02Å; D33-K36 PolarHBondContact O-N 3.13Å; W34-K36 VanDerWaalsContact C-N 3.35Å; W34-K36 PolarHBondContact O-N 3.21Å; K36-L38 PolarHBondContact O-N 2.83Å; K36-G39 PolarHBondContact O-N 3.45Å
37S90.3Very high79.5Confident89 Ų8991.3 Ų91.362%0.62250%0.497SS*.Hα-helixtrans-62.4-28.6176.782.70000112.9D33 W34 L35 G39D33-S37 PolarHBondContact O-N 3.32Å; W34-S37 WeakPolarHBondContact O-CB 3.29Å; W34-S37 PolarHBondContact O-N 3.46Å; W34-S37 VanDerWaalsContact O-N 3.13Å; W34-S37 PolarHBondContact O-OG 2.92Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 3.15Å; S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 2.86Å
38L90.4Very high77.3Confident115 Ų11590.4 Ų90.460%0.60250%0.497SS*.THydrogen-bonded Turntrans-85.13.9174.9-65.3176.4000113.5W34 L35 K36W34-L38 HydrophobicContact CD2-CD1 4.13Å; W34-L38 HydrophobicContact CE3-CD1 4.32Å; W34-L38 HydrophobicContact CH2-CD1 3.75Å; W34-L38 HydrophobicContact CZ2-CD1 3.52Å; W34-L38 HydrophobicContact CZ3-CD1 4.14Å; W34-L38 PolarHBondContact O-N 2.87Å; L35-L38 PolarHBondContact O-N 3.44Å; K36-L38 PolarHBondContact O-N 2.83Å
39G86.7Confident74.6Confident69 Ų6999.7 Ų99.771%0.71153%0.53SS*.THydrogen-bonded Turntrans78.416.5-178.300000114.4L35 K36 S37L35-G39 PolarHBondContact O-N 3.02Å; K36-G39 PolarHBondContact O-N 3.45Å; S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 2.86Å
40A83.1Confident72.4Confident43 Ų43102.7 Ų102.736%0.35555%0.548SS..  trans-73.4132.4176.800000111.3L35 V42L35-A40 HydrophobicContact CB-CB 4.12Å; L35-A40 WeakPolarHBondContact O-CB 3.47Å; L35-A40 PolarHBondContact O-N 3.48Å; A40-V42 PolarHBondContact O-N 3.49Å
41N80.1Confident69.8Low163 Ų163101.9 Ų101.987%0.87256%0.555SS**  trans-88102.9174-168.89.6000109.8
42V73.3Confident67.1Low15 Ų15109 Ų1099%0.09159%0.589CS.*  trans-89.6124-178.9179.50000108.8L23 L35 A40 V44L23-V42 HydrophobicContact CB-CG1 4.17Å; L23-V42 HydrophobicContact CD1-CG1 3.92Å; L23-V42 HydrophobicContact CD1-CG2 4.44Å; L35-V42 HydrophobicContact CB-CG2 4.35Å; L35-V42 HydrophobicContact CD1-CG2 4.49Å; A40-V42 PolarHBondContact O-N 3.49Å; V42-V44 PolarHBondContact O-N 3.06Å; V42-V44 VanDerWaalsContact O-N 3.17Å
43P66.4Low64.7Low78 Ų78113.5 Ų113.551%0.50662%0.615SS.*  trans-59.1121.5177.8-16.827.7000110.5P20 S45P20-P43 HydrophobicContact CB-CG 4.33Å; P43-S45 PolarHBondContact O-N 2.93Å
44V61.8Low62.2Low122 Ų122114.6 Ų114.674%0.73963%0.63SS**  trans-76.2111.6170.6-177.70000106.5V42 Q46V42-V44 PolarHBondContact O-N 3.06Å; V42-V44 VanDerWaalsContact O-N 3.17Å; V44-Q46 PolarHBondContact O-N 3.23Å
45S57.7Low59.6Low42 Ų42117 Ų11729%0.29465%0.645SS.*  trans-60.5120.7168.1-62.10000107.1E21 N24 P43 D47E21-S45 WeakPolarHBondContact CG-OG 3.28Å; N24-S45 PolarHBondContact ND2-OG 3.1Å; P43-S45 PolarHBondContact O-N 2.93Å; S45-D47 PolarHBondContact O-N 3.47Å
46Q50.7Low57Low165 Ų165120.8 Ų120.877%0.77167%0.674SS**  trans-56.6131.2170.1-70.8-175.7-27.100107.7V44 N48V44-Q46 PolarHBondContact O-N 3.23Å; Q46-N48 PolarHBondContact O-N 3.29Å
47D40.9Very low54.7Low162 Ų162123.3 Ų123.387%0.86669%0.693SS**  trans-57.781.7171.7-79.4-40.4000109.5S45 R49S45-D47 PolarHBondContact O-N 3.47Å; D47-R49 PolarHBondContact O-N 2.83Å
48N41.3Very low52.5Low141 Ų141125.8 Ų125.875%0.75470%0.699SS**  trans-75.881.1161.1-82.9-18.6000106.1Q46 P50Q46-N48 PolarHBondContact O-N 3.29Å; N48-P50 WeakPolarHBondContact O-CD 3.33Å; N48-P50 VanDerWaalsContact O-N 3.13Å
49R32.4Very low50Low226 Ų226125.6 Ų125.685%0.85371%0.707SS**  trans-47.8116.3152.1-84-176.6-177-163.9-0.6106.3D47 T51D47-R49 PolarHBondContact O-N 2.83Å; R49-T51 PolarHBondContact O-N 3.49Å
50P39.7Very low47.9Very low124 Ų124125.9 Ų125.981%0.80571%0.71SS**  trans-65.1112.4166.4-11.628000105.6N48 E52N48-P50 WeakPolarHBondContact O-CD 3.33Å; N48-P50 VanDerWaalsContact O-N 3.13Å; P50-E52 PolarHBondContact O-N 3.22Å
51T36Very low46Very low126 Ų126128 Ų12877%0.77373%0.728SS**  trans-46.3126.9165.331.20000109R49 N53R49-T51 PolarHBondContact O-N 3.49Å; T51-N53 PolarHBondContact O-N 3.03Å
52E35.5Very low44.5Very low195 Ų195125 Ų12591%0.91171%0.711SS**  trans-47.698.6168.2-68.3178.2158.200109.1P50P50-E52 PolarHBondContact O-N 3.22Å
53N37.4Very low43.4Very low136 Ų136132 Ų13273%0.72774%0.743SS**  trans-116.8102162-111.78.4000105.9T51 F55T51-N53 PolarHBondContact O-N 3.03Å; N53-F55 PolarHBondContact O-N 3.17Å
54S34.3Very low42.9Very low116 Ų116129.3 Ų129.381%0.81173%0.726SS**  trans-49.294.2168.255.60000110.4
55F37.1Very low42.6Very low187 Ų187127.9 Ų127.982%0.8272%0.721SS**  trans-97.6107.6151.2-97.2-92.1000106.3N53 D57N53-F55 PolarHBondContact O-N 3.17Å; F55-D57 PolarHBondContact O-N 3.43Å
56S35.1Very low42.7Very low111 Ų111127.5 Ų127.578%0.77671%0.714SS**  trans-54.7103165.851.80000108.9
57D39.5Very low43.2Very low165 Ų165124.4 Ų124.488%0.88271%0.711SS**  trans-98.897.4165.3-138.86.1000107.2F55F55-D57 PolarHBondContact O-N 3.43Å
58D43.1Very low44.7Very low140 Ų140124.7 Ų124.775%0.74971%0.707SS**  trans-82.8130.3171.8176.434.6000108
59S37.7Very low46.4Very low111 Ų111119.6 Ų119.678%0.77668%0.679SS**  trans76.7106.3169.577.30000119
60G42.8Very low48.5Very low75 Ų75116.8 Ų116.877%0.77368%0.676SS**  trans160.381.1162.200000111.8D62G60-D62 PolarHBondContact O-N 3.36Å
61A43Very low50.6Low88 Ų88113.1 Ų113.173%0.72765%0.647SS**  trans-42.6138.4173.200000111.1E63A61-E63 PolarHBondContact O-N 3.41Å
62D48.9Very low52.8Low99 Ų99115.5 Ų115.553%0.52966%0.656SS.*  trans-61.581.5173.3-175.516.8000109.7G60 T64 S65G60-D62 PolarHBondContact O-N 3.36Å; D62-T64 PolarHBondContact O-N 3.04Å; D62-T64 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact OD1-N 3.03Å; D62-T64 PolarHBondContact OD1-OG1 2.65Å; D62-S65 VanDerWaalsContact O-CB 3.31Å; D62-S65 WeakPolarHBondContact O-CB 3.17Å; D62-S65 PolarHBondContact O-N 3.5Å
63E49.7Very low55.1Low162 Ų162109.4 Ų109.476%0.75763%0.629SS**THydrogen-bonded Turntrans-67.4-6.2179.5-68.3-151.7165.100112.8A61A61-E63 PolarHBondContact O-N 3.41Å
64T56.3Low57.2Low23 Ų23112.2 Ų112.214%0.14164%0.638CS.*THydrogen-bonded Turntrans-90.7-3.9171.236.10000113.3D62 E66 Y225 K232D62-T64 PolarHBondContact O-N 3.04Å; D62-T64 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact OD1-N 3.03Å; D62-T64 PolarHBondContact OD1-OG1 2.65Å; T64-E66 PolarHBondContact O-N 3.38Å; T64-Y225 VanDerWaalsContact O-CE2 3.27Å; T64-Y225 WeakPolarHBondContact O-CE2 3.41Å; T64-K232 HydrophobicContact CG2-CD 4Å; T64-K232 PolarHBondContact OG1-NZ 3.41Å
65S55.5Low59.8Low91 Ų91109.5 Ų109.564%0.63662%0.616SS**  trans-7575.6171.2-162.70000109.9D62D62-S65 VanDerWaalsContact O-CB 3.31Å; D62-S65 WeakPolarHBondContact O-CB 3.17Å; D62-S65 PolarHBondContact O-N 3.5Å
66E60.6Low62.3Low34 Ų34103 Ų10316%0.15959%0.59CS.*PPolyproline II helixtrans-79.5126.9162.8-58.7-147143.300107.9T64 E68 H221 K224 Y225 K228T64-E66 PolarHBondContact O-N 3.38Å; E66-E68 PolarHBondContact O-N 3.42Å; E66-H221 WeakPolarHBondContact CB-NE2 3.37Å; E66-H221 IonicContact OE2-CD2 3.68Å; E66-H221 PolarHBondContact OE2-CD2 3.39Å; E66-H221 IonicContact OE2-NE2 3.87Å; E66-K224 WeakPolarHBondContact OE1-CE 3.34Å; E66-K224 IonicContact OE1-NZ 3.46Å; E66-K224 PolarHBondContact OE1-NZ 3.38Å; E66-K224 IonicContact OE2-NZ 3.34Å; E66-Y225 HydrophobicContact CB-CD2 4.35Å; E66-Y225 HydrophobicContact CG-CD2 4.31Å; E66-K228 WeakPolarHBondContact OE1-CE 3.38Å; E66-K228 IonicContact OE1-NZ 3.91Å; E66-K228 PolarHBondContact OE1-NZ 3.31Å
67S61Low64.6Low100 Ų100102 Ų10270%0.69958%0.581SS**PPolyproline II helixtrans-58.4135.3176.653.60000110.3I69 H221S67-I69 PolarHBondContact O-N 2.97Å; S67-H221 PolarHBondContact O-NE2 3Å
68E71.7Confident66.8Low169 Ų169102.1 Ų102.179%0.7957%0.573SS**PPolyproline II helixtrans-52135.6171.5-170167.3-172.600110.2E66 E70E66-E68 PolarHBondContact O-N 3.42Å; E68-E70 PolarHBondContact O-N 2.8Å; E68-E70 VanDerWaalsContact O-N 3.09Å
69I77.8Confident68.8Low33 Ų33100.5 Ų100.517%0.16956%0.561CS.*  trans-74.1108.8-179.2-60.7165.9000108.5S67 F71 R217 I218 H221S67-I69 PolarHBondContact O-N 2.97Å; I69-F71 HydrophobicContact CB-CE2 4.29Å; I69-F71 HydrophobicContact CG2-CD2 4.17Å; I69-F71 HydrophobicContact CG2-CE1 4.08Å; I69-F71 HydrophobicContact CG2-CE2 3.55Å; I69-F71 HydrophobicContact CG2-CZ 3.5Å; I69-F71 VanDerWaalsContact CG2-CZ 3.5Å; I69-R217 HydrophobicContact CD1-CG 4.26Å; I69-R217 WeakPolarHBondContact CD1-O 3.29Å; I69-R217 HydrophobicContact CG2-CG 4.29Å; I69-I218 HydrophobicContact CD1-CB 4.4Å; I69-I218 HydrophobicContact CD1-CG1 4.18Å; I69-H221 HydrophobicContact CD1-CB 3.2Å; I69-H221 VanDerWaalsContact CD1-CG 3.46Å; I69-H221 HydrophobicContact CG1-CB 4.05Å
70E76.1Confident71Confident167 Ų167100.7 Ų100.778%0.7856%0.56SS**  trans-87.5136170.4-64.7-179.9-179.600110.6E68E68-E70 PolarHBondContact O-N 2.8Å; E68-E70 VanDerWaalsContact O-N 3.09Å
71F83.6Confident72.6Confident47 Ų47100.8 Ų100.821%0.20655%0.545CS..  trans-112.5139.1170.4-63.1-82.5000108.5I69 D73 W185 K214 R217 I218I69-F71 HydrophobicContact CB-CE2 4.29Å; I69-F71 HydrophobicContact CG2-CD2 4.17Å; I69-F71 HydrophobicContact CG2-CE1 4.08Å; I69-F71 HydrophobicContact CG2-CE2 3.55Å; I69-F71 HydrophobicContact CG2-CZ 3.5Å; I69-F71 VanDerWaalsContact CG2-CZ 3.5Å; F71-D73 WeakPolarHBondContact CB-OD2 3.32Å; F71-D73 PolarHBondContact O-N 3.4Å; F71-W185 AromaticContact CD2-CD1 3.68Å; F71-W185 AromaticContact CD2-NE1 3.33Å; F71-W185 VanDerWaalsContact CD2-NE1 3.33Å; F71-W185 AromaticContact CE2-CD1 3.68Å; F71-W185 AromaticContact CE2-NE1 3.84Å; F71-W185 AromaticContact CG-NE1 3.91Å; F71-K214 HydrophobicContact CD1-CB 4.11Å; F71-K214 HydrophobicContact CD1-CD 4.19Å; F71-K214 HydrophobicContact CD1-CG 3.81Å; F71-K214 HydrophobicContact CE1-CB 3.6Å; F71-K214 HydrophobicContact CE1-CG 3.74Å; F71-K214 HydrophobicContact CE2-CB 4.43Å; F71-K214 HydrophobicContact CG-CD 4.48Å; F71-K214 HydrophobicContact CZ-CB 3.78Å; F71-K214 HydrophobicContact CZ-CG 4.39Å; F71-R217 HydrophobicContact CE1-CB 4.41Å; F71-R217 HydrophobicContact CZ-CB 4.32Å; F71-I218 HydrophobicContact CE2-CD1 3.64Å; F71-I218 HydrophobicContact CE2-CG1 3.64Å; F71-I218 HydrophobicContact CZ-CD1 3.99Å; F71-I218 HydrophobicContact CZ-CG1 3.69Å
72D81.5Confident74Confident177 Ų17799.8 Ų99.895%0.94753%0.531SS*.  trans-79.140.6-179.3-165.820.2000112.1
73D83.8Confident75.5Confident66 Ų66103.3 Ų103.335%0.35355%0.551SS.*SBendtrans-105.3139.3-179.2-64.9-85.6000110.7F71 V75 W185 K214F71-D73 WeakPolarHBondContact CB-OD2 3.32Å; F71-D73 PolarHBondContact O-N 3.4Å; D73-V75 HydrophobicContact CB-CG2 4.37Å; D73-V75 PolarHBondContact O-N 3.12Å; D73-W185 HydrophobicContact CB-CH2 4.08Å; D73-W185 HydrophobicContact CB-CZ2 3.89Å; D73-K214 IonicContact OD1-NZ 2.72Å; D73-K214 PolarHBondContact OD1-NZ 2.82Å; D73-K214 WeakPolarHBondContact OD2-CE 3.44Å; D73-K214 IonicContact OD2-NZ 2.74Å; D73-K214 PolarHBondContact OD2-NZ 3.37Å
74E82.7Confident77.3Confident195 Ų19596.8 Ų96.891%0.91152%0.521SS*.  trans-69.2103.6170.2-168.8179.9175.500109.6
75V88.6Confident79.1Confident60 Ų6097.8 Ų97.836%0.36453%0.531SS..  trans-104.4136.4179.8169.80000109.7D73 I182 W185D73-V75 HydrophobicContact CB-CG2 4.37Å; D73-V75 PolarHBondContact O-N 3.12Å; V75-I182 VanDerWaalsContact CG1-O 3.29Å; V75-I182 WeakPolarHBondContact CG1-O 3.47Å; V75-W185 HydrophobicContact CG2-CZ2 4.05Å
76L88.3Confident80.8Confident50 Ų5095.7 Ų95.726%0.26251%0.512SS..  trans-76.2140.9173.2-63.3-180000110.6K149 P151 M181L76-K149 HydrophobicContact CD1-CB 3.98Å; L76-P151 HydrophobicContact CB-CG 4.44Å; L76-P151 HydrophobicContact CD1-CG 4.22Å; L76-M181 HydrophobicContact CD1-CB 4.25Å; L76-M181 HydrophobicContact CD1-CE 3.47Å; L76-M181 VanDerWaalsContact CD1-CE 3.47Å; L76-M181 PolarHBondContact N-O 2.94Å
77P85.4Confident82.2Confident91 Ų9195.6 Ų95.659%0.59152%0.52SS*.  trans-62.3141.8174.427.7-34.2000110.3E79P77-E79 PolarHBondContact O-N 3Å
78K85.4Confident83.7Confident166 Ų16695.3 Ų95.372%0.72251%0.511SS*.  trans-72.999.4171.6-173.4179.4-178.9178.20109.2I182K78-I182 HydrophobicContact CD-CD1 4.49Å; K78-I182 HydrophobicContact CG-CD1 4.49Å
79E84.7Confident84.6Confident106 Ų10691.1 Ų91.150%0.49549%0.494SS..PPolyproline II helixtrans-76.6147.9176.7-65.1-178.4170.600111.2P77 V81 S152P77-E79 PolarHBondContact O-N 3Å; E79-V81 PolarHBondContact O-N 3.12Å; E79-S152 PolarHBondContact N-OG 3.18Å; E79-S152 VanDerWaalsContact O-CB 3.22Å; E79-S152 WeakPolarHBondContact O-CB 3.37Å; E79-S152 PolarHBondContact O-OG 2.97Å
80P84.3Confident85.3Confident116 Ų11694 Ų9475%0.75352%0.517SS*.PPolyproline II helixtrans-59.8137.7168.127-33.4000109.6P82P80-P82 VanDerWaalsContact O-CD 3.31Å; P80-P82 WeakPolarHBondContact O-CD 3.37Å
81V75.9Confident86Confident76 Ų7688.9 Ų88.946%0.46149%0.494SS..PPolyproline II helixtrans-73.6120.3179.3-173.40000108.4E79 L84 S152 A156E79-V81 PolarHBondContact O-N 3.12Å; V81-L84 HydrophobicContact CG1-CD1 4.17Å; V81-L84 HydrophobicContact CG1-CG 4.48Å; V81-S152 WeakPolarHBondContact CG2-O 3.33Å; V81-A156 HydrophobicContact CG1-CB 3.8Å
82P71.5Confident86.5Confident67 Ų6795 Ų9544%0.43552%0.524SS..PPolyproline II helixtrans-65160.6170.8-17.232.4000110.8P80 L84 H153P80-P82 VanDerWaalsContact O-CD 3.31Å; P80-P82 WeakPolarHBondContact O-CD 3.37Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.39Å; P82-H153 WeakPolarHBondContact CD-CE1 3.4Å; P82-H153 WeakPolarHBondContact CD-NE2 3.25Å; P82-H153 WeakPolarHBondContact CG-NE2 3.46Å
83D82.1Confident87.1Confident174 Ų17488.2 Ų88.293%0.9349%0.488SS*.  trans-62.892.1174.7-167.112.4000110.4
84L87.6Confident87.7Confident25 Ų2588.3 Ų88.313%0.13149%0.491CS..  trans-74.3135.3177.9-75.9174.2000108.6V81 P82 M86 F145 H153 A156V81-L84 HydrophobicContact CG1-CD1 4.17Å; V81-L84 HydrophobicContact CG1-CG 4.48Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.39Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 HydrophobicContact CB-CG 4.35Å; L84-M86 HydrophobicContact CB-SD 3.63Å; L84-M86 HydrophobicContact CD1-SD 4.38Å; L84-M86 WeakPolarHBondContact O-CG 3.23Å; L84-M86 PolarHBondContact O-N 2.72Å; L84-F145 HydrophobicContact CD1-CE2 4.45Å; L84-F145 HydrophobicContact CD2-CE2 4.13Å; L84-F145 HydrophobicContact CD2-CZ 3.87Å; L84-H153 HydrophobicContact CD1-CB 4.24Å; L84-A156 HydrophobicContact CD1-CB 4Å
85A92.6Very high88.3Confident43 Ų4384.3 Ų84.336%0.35548%0.476SS..  trans-69.491.6172.500000109.7G87 T125 R141A85-G87 VanDerWaalsContact C-N 3.28Å; A85-T125 HydrophobicContact CB-CG2 3.74Å; A85-R141 PolarHBondContact O-NH1 3.32Å; A85-R141 PolarHBondContact O-NH2 3Å
86M91.6Very high88.7Confident47 Ų4787.7 Ų87.723%0.23249%0.488CS..  trans-85-0.1-179.5-55.5-52.7-100.800113.5L84 I128 H138 R141 D157 K160L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 HydrophobicContact CB-CG 4.35Å; L84-M86 HydrophobicContact CB-SD 3.63Å; L84-M86 HydrophobicContact CD1-SD 4.38Å; L84-M86 WeakPolarHBondContact O-CG 3.23Å; L84-M86 PolarHBondContact O-N 2.72Å; M86-I128 VanDerWaalsContact O-CG2 3.23Å; M86-I128 WeakPolarHBondContact O-CG2 3.14Å; M86-H138 PolarHBondContact O-CE1 3.08Å; M86-R141 PolarHBondContact SD-NH2 3.3Å; M86-D157 WeakPolarHBondContact CE-OD1 3.41Å; M86-K160 HydrophobicContact CE-CB 3.6Å; M86-K160 HydrophobicContact CE-CG 4.05Å
87G90.4Very high89.2Confident33 Ų3387 Ų8734%0.3448%0.484SS..  trans75.6176.8-173.500000112.7A85A85-G87 VanDerWaalsContact C-N 3.28Å
88D92.2Very high89.7Confident93 Ų9389 Ų8950%0.49748%0.48SS..  trans-104.7107.7-178.9-179-4.2000109.9S90 I91 P132D88-S90 PolarHBondContact O-N 3.21Å; D88-S90 WeakPolarHBondContact OD1-CB 3.4Å; D88-S90 PolarHBondContact OD1-N 2.86Å; D88-S90 PolarHBondContact OD1-OG 2.89Å; D88-S90 PolarHBondContact OD2-OG 3.25Å; D88-I91 WeakPolarHBondContact O-CG2 3.33Å; D88-I91 PolarHBondContact O-N 2.75Å; D88-I91 VanDerWaalsContact O-N 3.14Å; D88-P132 WeakPolarHBondContact O-CG 3.36Å
89D90.2Very high90.3Very high82 Ų8287.2 Ų87.244%0.43947%0.474SS..THydrogen-bonded Turntrans-60.6-15.7-178.7-71.6-29.9000113.9K160D89-K160 WeakPolarHBondContact OD1-CE 3.29Å; D89-K160 IonicContact OD1-NZ 3.36Å; D89-K160 PolarHBondContact OD1-NZ 3.03Å; D89-K160 IonicContact OD2-NZ 3.89Å; D89-K160 PolarHBondContact OD2-NZ 3.37Å
90S92.1Very high91Very high93 Ų9387 Ų8765%0.6547%0.471SS*.THydrogen-bonded Turntrans-85.2-7.9179.873.40000114.4D88 E92D88-S90 PolarHBondContact O-N 3.21Å; D88-S90 WeakPolarHBondContact OD1-CB 3.4Å; D88-S90 PolarHBondContact OD1-N 2.86Å; D88-S90 PolarHBondContact OD1-OG 2.89Å; D88-S90 PolarHBondContact OD2-OG 3.25Å; S90-E92 PolarHBondContact O-N 2.92Å
91I91.9Very high91.6Very high60 Ų6081.5 Ų81.531%0.30844%0.435SS..  trans-70.4129.9-177.7-157.7167.7000111.6D88 V93 M97 P132D88-I91 WeakPolarHBondContact O-CG2 3.33Å; D88-I91 PolarHBondContact O-N 2.75Å; D88-I91 VanDerWaalsContact O-N 3.14Å; I91-V93 HydrophobicContact CG2-CG2 4.03Å; I91-V93 PolarHBondContact O-N 3.33Å; I91-M97 HydrophobicContact CD1-CE 3.47Å; I91-M97 VanDerWaalsContact CD1-CE 3.47Å; I91-M97 HydrophobicContact CG1-CE 3.86Å; I91-P132 HydrophobicContact CG2-CG 3.53Å
92E93Very high92.6Very high176 Ų17681.7 Ų81.782%0.82243%0.431SS*.  trans-75.5106.3169.6-69.8-173.4177.500109.3S90 T94S90-E92 PolarHBondContact O-N 2.92Å; E92-T94 PolarHBondContact O-N 3.24Å
93V94.5Very high93.9Very high33 Ų3383.3 Ų83.320%0.243%0.433CS..  trans-76.8107.2-176.6-174.20000110.2I91 M97 R98 N131I91-V93 HydrophobicContact CG2-CG2 4.03Å; I91-V93 PolarHBondContact O-N 3.33Å; V93-M97 HydrophobicContact CG1-CB 4.17Å; V93-R98 HydrophobicContact CG1-CG 3.5Å; V93-R98 VanDerWaalsContact CG1-CG 3.5Å; V93-N131 HydrophobicContact CG1-CB 3.78Å; V93-N131 HydrophobicContact CG2-CB 4.42Å
94T96.7Very high94.7Very high68 Ų6877.3 Ų77.342%0.41740%0.399SS..  trans-78.1164.6176.669.90000112.6E92 E96 M97 R98E92-T94 PolarHBondContact O-N 3.24Å; T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 PolarHBondContact O-N 3.48Å; T94-M97 HydrophobicContact CG2-SD 4.18Å; T94-M97 WeakPolarHBondContact O-CB 3.32Å; T94-M97 PolarHBondContact O-N 2.78Å; T94-M97 VanDerWaalsContact O-N 3.07Å; T94-M97 VanDerWaalsContact OG1-CG 3.31Å; T94-M97 WeakPolarHBondContact OG1-CG 3.29Å; T94-M97 PolarHBondContact OG1-N 2.76Å; T94-R98 WeakPolarHBondContact O-CG 3.35Å; T94-R98 PolarHBondContact O-N 3.2Å
95D96.5Very high95.2Very high112 Ų11277.5 Ų77.560%0.59940%0.399SS*.Hα-helixtrans-56.6-43176-67.7-3000112.2M97 R98 E99D95-M97 VanDerWaalsContact C-N 3.31Å; D95-M97 PolarHBondContact O-N 3.09Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 IonicContact OD1-CZ 3.21Å; D95-R98 IonicContact OD1-NE 3.69Å; D95-R98 IonicContact OD1-NH2 2.81Å; D95-R98 PolarHBondContact OD1-NH2 3.34Å; D95-E99 PolarHBondContact O-N 3.19Å
96E96.9Very high95.4Very high130 Ų13078.9 Ų78.961%0.60741%0.405SS*.Hα-helixtrans-61.7-37.9175.6-62.6-178.1-172.500112.3T94 K100T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact O-CB 3.43Å; E96-K100 VanDerWaalsContact O-CG 3.32Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 2.9Å
97M97.4Very high95.8Very high35 Ų3580.9 Ų80.917%0.17241%0.414CS..Hα-helixtrans-69.6-37.5176.9-70167.959.900111.4I91 V93 T94 D95 A101 L130I91-M97 HydrophobicContact CD1-CE 3.47Å; I91-M97 VanDerWaalsContact CD1-CE 3.47Å; I91-M97 HydrophobicContact CG1-CE 3.86Å; V93-M97 HydrophobicContact CG1-CB 4.17Å; T94-M97 HydrophobicContact CG2-SD 4.18Å; T94-M97 WeakPolarHBondContact O-CB 3.32Å; T94-M97 PolarHBondContact O-N 2.78Å; T94-M97 VanDerWaalsContact O-N 3.07Å; T94-M97 VanDerWaalsContact OG1-CG 3.31Å; T94-M97 WeakPolarHBondContact OG1-CG 3.29Å; T94-M97 PolarHBondContact OG1-N 2.76Å; D95-M97 VanDerWaalsContact C-N 3.31Å; D95-M97 PolarHBondContact O-N 3.09Å; M97-A101 VanDerWaalsContact O-CB 3.24Å; M97-A101 WeakPolarHBondContact O-CB 3.45Å; M97-A101 PolarHBondContact O-N 3.47Å; M97-L130 WeakPolarHBondContact CE-O 3.36Å
98R97.3Very high96.1Very high135 Ų13579.3 Ų79.351%0.50940%0.397SS..Hα-helixtrans-64.3-44.2174-65.2-169.2-70.1-175.53.7111.7V93 T94 D95 A101 E102V93-R98 HydrophobicContact CG1-CG 3.5Å; V93-R98 VanDerWaalsContact CG1-CG 3.5Å; T94-R98 WeakPolarHBondContact O-CG 3.35Å; T94-R98 PolarHBondContact O-N 3.2Å; D95-R98 PolarHBondContact O-N 2.91Å; D95-R98 IonicContact OD1-CZ 3.21Å; D95-R98 IonicContact OD1-NE 3.69Å; D95-R98 IonicContact OD1-NH2 2.81Å; D95-R98 PolarHBondContact OD1-NH2 3.34Å; R98-A101 PolarHBondContact O-N 3.14Å; R98-E102 WeakPolarHBondContact O-CB 3.36Å; R98-E102 PolarHBondContact O-N 2.94Å
99E97.8Very high96.4Very high127 Ų12778.4 Ų78.459%0.59339%0.391SS*.Hα-helixtrans-61.7-49.8177.4-174.2173.4-160.800111.1D95 A101 E102 E103D95-E99 PolarHBondContact O-N 3.19Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.41Å; E99-E102 WeakPolarHBondContact O-CB 3.38Å; E99-E102 PolarHBondContact O-N 3.33Å; E99-E102 VanDerWaalsContact O-N 3.1Å; E99-E103 PolarHBondContact O-N 3.41Å
100K97.9Very high96.8Very high102 Ų10277 Ų7744%0.44339%0.39SS..Hα-helixtrans-61.5-39.4175.7-71.3171.9-177.1166.70112.8E96 E102 E103 K104 L130E96-K100 WeakPolarHBondContact O-CB 3.43Å; E96-K100 VanDerWaalsContact O-CG 3.32Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 2.9Å; K100-E102 VanDerWaalsContact C-N 3.27Å; K100-E102 PolarHBondContact O-N 2.96Å; K100-E103 PolarHBondContact O-N 3.38Å; K100-K104 VanDerWaalsContact O-CG 3.28Å; K100-K104 WeakPolarHBondContact O-CG 3.42Å; K100-K104 PolarHBondContact O-N 3.41Å; K100-L130 HydrophobicContact CB-CD1 3.77Å
101A97.8Very high97.1Very high0 Ų076.3 Ų76.30%038%0.376CS..Hα-helixtrans-63.7-36.5176.200000111.5M97 R98 E99 K104 K105 A127 L130 N131 F137M97-A101 VanDerWaalsContact O-CB 3.24Å; M97-A101 WeakPolarHBondContact O-CB 3.45Å; M97-A101 PolarHBondContact O-N 3.47Å; R98-A101 PolarHBondContact O-N 3.14Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.41Å; A101-K104 PolarHBondContact O-N 3.21Å; A101-K105 PolarHBondContact O-N 3.38Å; A101-A127 HydrophobicContact CB-CB 4.44Å; A101-L130 HydrophobicContact CB-CB 3.86Å; A101-L130 HydrophobicContact CB-CD1 4.41Å; A101-N131 HydrophobicContact CB-CB 3.99Å; A101-F137 HydrophobicContact CB-CE2 3.77Å; A101-F137 HydrophobicContact CB-CZ 3.79Å
102E97.6Very high97.3Very high80 Ų8074.5 Ų74.537%0.37437%0.366SS..Hα-helixtrans-70.1-40176-177.660.9-162.400112.2R98 E99 K100 K104 K105 C106R98-E102 WeakPolarHBondContact O-CB 3.36Å; R98-E102 PolarHBondContact O-N 2.94Å; E99-E102 WeakPolarHBondContact O-CB 3.38Å; E99-E102 PolarHBondContact O-N 3.33Å; E99-E102 VanDerWaalsContact O-N 3.1Å; K100-E102 VanDerWaalsContact C-N 3.27Å; K100-E102 PolarHBondContact O-N 2.96Å; E102-K104 VanDerWaalsContact C-N 3.34Å; E102-K104 PolarHBondContact O-N 2.89Å; E102-K105 VanDerWaalsContact CD-CE 3.47Å; E102-K105 VanDerWaalsContact O-CB 3.31Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-K105 WeakPolarHBondContact OE1-CE 3.38Å; E102-K105 IonicContact OE1-NZ 2.58Å; E102-K105 PolarHBondContact OE1-NZ 3.1Å; E102-K105 VanDerWaalsContact OE2-CE 3.22Å; E102-K105 WeakPolarHBondContact OE2-CE 3.28Å; E102-K105 IonicContact OE2-NZ 2.68Å; E102-K105 PolarHBondContact OE2-NZ 3.15Å; E102-C106 PolarHBondContact O-N 3.06Å; E102-C106 PolarHBondContact O-SG 3.37Å
103E98.1Very high97.5Very high101 Ų10171 Ų7147%0.47236%0.362SS..Hα-helixtrans-57-48.2170.3-69.8176.3169.500111E99 K100 K105 C106 E107E99-E103 PolarHBondContact O-N 3.41Å; K100-E103 PolarHBondContact O-N 3.38Å; E103-K105 VanDerWaalsContact C-N 3.28Å; E103-K105 PolarHBondContact O-N 2.93Å; E103-C106 WeakPolarHBondContact O-CB 3.18Å; E103-C106 PolarHBondContact O-N 3.46Å; E103-E107 PolarHBondContact O-N 3.4Å
104K98.3Very high97.6Very high49 Ų4975.7 Ų75.721%0.21339%0.385CS..Hα-helixtrans-61.1-35.7176.6-67.8-68.4167.2-176.90112.9K100 A101 E102 E107 A108 L123 E126 A127 L130K100-K104 VanDerWaalsContact O-CG 3.28Å; K100-K104 WeakPolarHBondContact O-CG 3.42Å; K100-K104 PolarHBondContact O-N 3.41Å; A101-K104 PolarHBondContact O-N 3.21Å; E102-K104 VanDerWaalsContact C-N 3.34Å; E102-K104 PolarHBondContact O-N 2.89Å; K104-E107 IonicContact NZ-OE2 2.81Å; K104-E107 PolarHBondContact NZ-OE2 2.9Å; K104-E107 VanDerWaalsContact NZ-OE2 3.17Å; K104-E107 PolarHBondContact O-N 3.17Å; K104-A108 VanDerWaalsContact O-CB 3.29Å; K104-A108 WeakPolarHBondContact O-CB 3.13Å; K104-A108 PolarHBondContact O-N 3.36Å; K104-L123 HydrophobicContact CD-CD2 3.89Å; K104-E126 HydrophobicContact CD-CB 4.14Å; K104-E126 VanDerWaalsContact CD-OE2 3.25Å; K104-E126 WeakPolarHBondContact CD-OE2 3.33Å; K104-E126 WeakPolarHBondContact CE-OE2 3.37Å; K104-E126 HydrophobicContact CG-CB 4.32Å; K104-E126 IonicContact NZ-OE2 3.73Å; K104-E126 PolarHBondContact NZ-OE2 3.18Å; K104-A127 HydrophobicContact CB-CB 3.91Å; K104-L130 HydrophobicContact CG-CD1 4.3Å
105K97.9Very high97.6Very high29 Ų2974.6 Ų74.613%0.12639%0.387CS..Hα-helixtrans-62.2-45.8172.2-167.3-163.169.3-166.80111.4A101 E102 E103 A108 M109 F124 L136 F137A101-K105 PolarHBondContact O-N 3.38Å; E102-K105 VanDerWaalsContact CD-CE 3.47Å; E102-K105 VanDerWaalsContact O-CB 3.31Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-K105 WeakPolarHBondContact OE1-CE 3.38Å; E102-K105 IonicContact OE1-NZ 2.58Å; E102-K105 PolarHBondContact OE1-NZ 3.1Å; E102-K105 VanDerWaalsContact OE2-CE 3.22Å; E102-K105 WeakPolarHBondContact OE2-CE 3.28Å; E102-K105 IonicContact OE2-NZ 2.68Å; E102-K105 PolarHBondContact OE2-NZ 3.15Å; E103-K105 VanDerWaalsContact C-N 3.28Å; E103-K105 PolarHBondContact O-N 2.93Å; K105-A108 PolarHBondContact O-N 2.96Å; K105-M109 HydrophobicContact CD-SD 4.47Å; K105-M109 HydrophobicContact CG-SD 4.32Å; K105-M109 WeakPolarHBondContact O-CB 3.46Å; K105-M109 VanDerWaalsContact O-CG 3.26Å; K105-M109 WeakPolarHBondContact O-CG 3.39Å; K105-M109 PolarHBondContact O-N 3.32Å; K105-F124 HydrophobicContact CG-CE1 3.98Å; K105-L136 HydrophobicContact CD-CD2 3.82Å; K105-F137 HydrophobicContact CB-CD1 4.33Å; K105-F137 HydrophobicContact CB-CE1 3.75Å; K105-F137 HydrophobicContact CD-CD1 4.38Å; K105-F137 HydrophobicContact CD-CE1 3.87Å; K105-F137 HydrophobicContact CG-CD1 4.17Å; K105-F137 HydrophobicContact CG-CE1 3.87Å
106C98.1Very high97.7Very high72 Ų7271.6 Ų71.649%0.48637%0.371SS..Hα-helixtrans-62.1-44.9177.9-70.80000111.6E102 E103 A108 M109 A110E102-C106 PolarHBondContact O-N 3.06Å; E102-C106 PolarHBondContact O-SG 3.37Å; E103-C106 WeakPolarHBondContact O-CB 3.18Å; E103-C106 PolarHBondContact O-N 3.46Å; C106-A108 PolarHBondContact O-N 2.88Å; C106-M109 PolarHBondContact O-N 2.9Å; C106-A110 PolarHBondContact O-N 3.03Å
107E98.4Very high97.7Very high89 Ų8966.7 Ų66.742%0.41635%0.349SS..Hα-helixtrans-59.3-45.6173.6-67176.6-178.200111.5E103 K104 M109 A110 K111 L123E103-E107 PolarHBondContact O-N 3.4Å; K104-E107 IonicContact NZ-OE2 2.81Å; K104-E107 PolarHBondContact NZ-OE2 2.9Å; K104-E107 VanDerWaalsContact NZ-OE2 3.17Å; K104-E107 PolarHBondContact O-N 3.17Å; E107-M109 VanDerWaalsContact C-N 3.34Å; E107-M109 PolarHBondContact O-N 3.33Å; E107-A110 WeakPolarHBondContact O-CB 3.48Å; E107-A110 PolarHBondContact O-N 2.92Å; E107-K111 PolarHBondContact O-N 3.28Å; E107-L123 HydrophobicContact CB-CD1 3.79Å; E107-L123 HydrophobicContact CB-CD2 4.17Å; E107-L123 VanDerWaalsContact OE2-CD2 3.3Å; E107-L123 WeakPolarHBondContact OE2-CD2 3.42Å
108A98.3Very high97.7Very high0 Ų069 Ų690%037%0.365CS..Hα-helixtrans-62.5-40.9179.200000111.9K104 K105 C106 A110 K111 M112 A120 L123 F124K104-A108 VanDerWaalsContact O-CB 3.29Å; K104-A108 WeakPolarHBondContact O-CB 3.13Å; K104-A108 PolarHBondContact O-N 3.36Å; K105-A108 PolarHBondContact O-N 2.96Å; C106-A108 PolarHBondContact O-N 2.88Å; A108-A110 VanDerWaalsContact C-N 3.34Å; A108-A110 PolarHBondContact O-N 3.31Å; A108-K111 WeakPolarHBondContact O-CB 3.38Å; A108-K111 PolarHBondContact O-N 3Å; A108-M112 WeakPolarHBondContact O-CG 3.46Å; A108-M112 PolarHBondContact O-N 3.36Å; A108-A120 WeakPolarHBondContact O-CB 3.35Å; A108-L123 HydrophobicContact CB-CB 3.64Å; A108-L123 HydrophobicContact CB-CD1 4.38Å; A108-F124 HydrophobicContact CB-CD1 3.88Å; A108-F124 HydrophobicContact CB-CD2 3.91Å; A108-F124 HydrophobicContact CB-CE1 3.62Å; A108-F124 HydrophobicContact CB-CE2 3.66Å; A108-F124 HydrophobicContact CB-CG 3.99Å; A108-F124 HydrophobicContact CB-CZ 3.48Å; A108-F124 VanDerWaalsContact CB-CZ 3.48Å
109M97.7Very high97.7Very high74 Ų7463 Ų6337%0.36535%0.346SS..Hα-helixtrans-65.8-35.6177-72.9-178.566.800112.4K105 C106 E107 M112 S113 F124K105-M109 HydrophobicContact CD-SD 4.47Å; K105-M109 HydrophobicContact CG-SD 4.32Å; K105-M109 WeakPolarHBondContact O-CB 3.46Å; K105-M109 VanDerWaalsContact O-CG 3.26Å; K105-M109 WeakPolarHBondContact O-CG 3.39Å; K105-M109 PolarHBondContact O-N 3.32Å; C106-M109 PolarHBondContact O-N 2.9Å; E107-M109 VanDerWaalsContact C-N 3.34Å; E107-M109 PolarHBondContact O-N 3.33Å; M109-M112 PolarHBondContact O-N 2.85Å; M109-S113 PolarHBondContact O-N 3.19Å; M109-S113 VanDerWaalsContact O-N 3.12Å; M109-S113 PolarHBondContact O-OG 3.45Å; M109-F124 HydrophobicContact CG-CZ 4.44Å
110A98.2Very high97.8Very high51 Ų5157 Ų5742%0.42132%0.318SS..Hα-helixtrans-62.8-48.4171.500000110.7C106 E107 A108 M112 S113 D114C106-A110 PolarHBondContact O-N 3.03Å; E107-A110 WeakPolarHBondContact O-CB 3.48Å; E107-A110 PolarHBondContact O-N 2.92Å; A108-A110 VanDerWaalsContact C-N 3.34Å; A108-A110 PolarHBondContact O-N 3.31Å; A110-M112 VanDerWaalsContact C-N 3.32Å; A110-M112 PolarHBondContact O-N 3.03Å; A110-S113 WeakPolarHBondContact O-CA 3.46Å; A110-S113 WeakPolarHBondContact O-CB 3.33Å; A110-S113 PolarHBondContact O-N 2.88Å; A110-D114 PolarHBondContact O-N 3.34Å
111K98.1Very high97.8Very high80 Ų8052.9 Ų52.935%0.34830%0.301SS..Hα-helixtrans-56.8-41.6174.8-71-59.9-157.9148.20113.3E107 A108 S113 D114 G115 D116 A120 L123E107-K111 PolarHBondContact O-N 3.28Å; A108-K111 WeakPolarHBondContact O-CB 3.38Å; A108-K111 PolarHBondContact O-N 3Å; K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 2.96Å; K111-D114 PolarHBondContact O-N 3.47Å; K111-G115 PolarHBondContact O-N 2.92Å; K111-G115 VanDerWaalsContact O-N 3.1Å; K111-D116 HydrophobicContact CB-CB 4.43Å; K111-D116 HydrophobicContact CD-CB 4.16Å; K111-D116 WeakPolarHBondContact CD-OD2 3.36Å; K111-D116 IonicContact NZ-OD2 3.17Å; K111-D116 PolarHBondContact NZ-OD2 3.04Å; K111-D116 PolarHBondContact O-N 3.26Å; K111-A120 HydrophobicContact CB-CB 3.99Å; K111-L123 HydrophobicContact CB-CD1 4.49Å; K111-L123 HydrophobicContact CG-CD1 3.65Å
112M97.2Very high97.8Very high22 Ų2257.8 Ų57.811%0.10833%0.327CS..Hα-helixtrans-62.2-33.9174.7-72.3-177.974.100113.2A108 M109 A110 G115 A120 F124 S143 C144 R147A108-M112 WeakPolarHBondContact O-CG 3.46Å; A108-M112 PolarHBondContact O-N 3.36Å; M109-M112 PolarHBondContact O-N 2.85Å; A110-M112 VanDerWaalsContact C-N 3.32Å; A110-M112 PolarHBondContact O-N 3.03Å; M112-G115 PolarHBondContact O-N 3.49Å; M112-A120 HydrophobicContact CG-CB 3.47Å; M112-A120 VanDerWaalsContact CG-CB 3.47Å; M112-F124 HydrophobicContact CG-CE2 4.36Å; M112-F124 HydrophobicContact SD-CE2 3.67Å; M112-F124 HydrophobicContact SD-CZ 3.95Å; M112-S143 WeakPolarHBondContact CE-OG 3.22Å; M112-C144 VanDerWaalsContact SD-SG 3.62Å; M112-R147 PolarHBondContact O-NH1 3.19Å
113S97Very high97.8Very high103 Ų10354.9 Ų54.972%0.7231%0.314SS*.Hα-helixtrans-75.1-35.4178.8-55.60000111.1M109 A110 K111 G115M109-S113 PolarHBondContact O-N 3.19Å; M109-S113 VanDerWaalsContact O-N 3.12Å; M109-S113 PolarHBondContact O-OG 3.45Å; A110-S113 WeakPolarHBondContact O-CA 3.46Å; A110-S113 WeakPolarHBondContact O-CB 3.33Å; A110-S113 PolarHBondContact O-N 2.88Å; K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 2.96Å; S113-G115 PolarHBondContact O-N 2.91Å
114D97Very high97.8Very high131 Ų13150.1 Ų50.170%0.70129%0.292SS*.THydrogen-bonded Turntrans-73.5-9.4172.1-63.9-21.3000113.1A110 K111 D116A110-D114 PolarHBondContact O-N 3.34Å; K111-D114 PolarHBondContact O-N 3.47Å; D114-D116 VanDerWaalsContact C-N 3.34Å
115G95.9Very high97.8Very high44 Ų4448.9 Ų48.945%0.45429%0.289SS..THydrogen-bonded Turntrans85.9-1-178.200000114.9K111 M112 S113 L117K111-G115 PolarHBondContact O-N 2.92Å; K111-G115 VanDerWaalsContact O-N 3.1Å; M112-G115 PolarHBondContact O-N 3.49Å; S113-G115 PolarHBondContact O-N 2.91Å; G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.41Å
116D98Very high97.8Very high49 Ų4951.5 Ų51.526%0.26230%0.302SS..  trans-78.178.7174.4-179.511.6000110.6K111 D114 T118 G119 A120K111-D116 HydrophobicContact CB-CB 4.43Å; K111-D116 HydrophobicContact CD-CB 4.16Å; K111-D116 WeakPolarHBondContact CD-OD2 3.36Å; K111-D116 IonicContact NZ-OD2 3.17Å; K111-D116 PolarHBondContact NZ-OD2 3.04Å; K111-D116 PolarHBondContact O-N 3.26Å; D114-D116 VanDerWaalsContact C-N 3.34Å; D116-T118 VanDerWaalsContact C-N 3.3Å; D116-T118 PolarHBondContact O-N 3.45Å; D116-T118 PolarHBondContact OD1-OG1 3.16Å; D116-G119 PolarHBondContact OD1-N 3.41Å; D116-A120 PolarHBondContact O-N 3.02Å; D116-A120 VanDerWaalsContact O-N 3.09Å
117L97.9Very high97.8Very high27 Ų2748.1 Ų48.114%0.14128%0.278CS..Hα-helixtrans-66-33.5179.4-63.5175.4000112.6G115 A120 V121 R147 M148G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.41Å; L117-A120 PolarHBondContact O-N 2.91Å; L117-V121 WeakPolarHBondContact O-CG2 3.3Å; L117-V121 PolarHBondContact O-N 2.7Å; L117-R147 HydrophobicContact CD1-CB 3.52Å; L117-R147 HydrophobicContact CD2-CB 4.2Å; L117-M148 HydrophobicContact CB-CG 3.62Å; L117-M148 HydrophobicContact CB-SD 3.86Å; L117-M148 HydrophobicContact CD1-CG 3.74Å; L117-M148 HydrophobicContact CG-CG 4.32Å
118T97.4Very high97.7Very high83 Ų8343.9 Ų43.951%0.50926%0.259SS..Hα-helixtrans-63.7-51.217734.80000111.4D116 A120 V121 D122 M148D116-T118 VanDerWaalsContact C-N 3.3Å; D116-T118 PolarHBondContact O-N 3.45Å; D116-T118 PolarHBondContact OD1-OG1 3.16Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.74Å; T118-V121 WeakPolarHBondContact O-CB 3.5Å; T118-V121 PolarHBondContact O-N 3.46Å; T118-V121 VanDerWaalsContact O-N 3.13Å; T118-D122 PolarHBondContact O-N 3.45Å; T118-D122 VanDerWaalsContact O-N 3.08Å; T118-M148 HydrophobicContact CG2-CE 3.57Å
119G97.8Very high97.7Very high11 Ų1149.6 Ų49.611%0.11328%0.284CS..Hα-helixtrans-63.1-34.6176.400000112.4D116 D122 L123D116-G119 PolarHBondContact OD1-N 3.41Å; G119-D122 PolarHBondContact O-N 3.46Å; G119-L123 WeakPolarHBondContact O-CD1 3.32Å; G119-L123 VanDerWaalsContact O-CG 3.3Å; G119-L123 WeakPolarHBondContact O-CG 3.41Å; G119-L123 PolarHBondContact O-N 2.86Å; G119-L123 VanDerWaalsContact O-N 3.08Å
120A98.3Very high97.6Very high0 Ų048.2 Ų48.20%028%0.277CS..Hα-helixtrans-63.4-42.7172.800000112.6A108 K111 M112 D116 L117 T118 D122 L123 F124A108-A120 WeakPolarHBondContact O-CB 3.35Å; K111-A120 HydrophobicContact CB-CB 3.99Å; M112-A120 HydrophobicContact CG-CB 3.47Å; M112-A120 VanDerWaalsContact CG-CB 3.47Å; D116-A120 PolarHBondContact O-N 3.02Å; D116-A120 VanDerWaalsContact O-N 3.09Å; L117-A120 PolarHBondContact O-N 2.91Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.74Å; A120-D122 VanDerWaalsContact C-N 3.34Å; A120-D122 PolarHBondContact O-N 3.37Å; A120-L123 PolarHBondContact O-N 2.72Å; A120-F124 HydrophobicContact CB-CE2 4.32Å; A120-F124 WeakPolarHBondContact O-CD2 3.42Å; A120-F124 WeakPolarHBondContact O-CG 3.33Å; A120-F124 PolarHBondContact O-N 2.89Å
121V98Very high97.6Very high16 Ų1647 Ų4710%0.09726%0.264CS..Hα-helixtrans-61.6-42176.5166.40000111.5L117 T118 F124 T125 R141 C144 F145 M148L117-V121 WeakPolarHBondContact O-CG2 3.3Å; L117-V121 PolarHBondContact O-N 2.7Å; T118-V121 WeakPolarHBondContact O-CB 3.5Å; T118-V121 PolarHBondContact O-N 3.46Å; T118-V121 VanDerWaalsContact O-N 3.13Å; V121-F124 PolarHBondContact O-N 3.46Å; V121-T125 WeakPolarHBondContact O-CB 3.49Å; V121-T125 PolarHBondContact O-N 3.28Å; V121-T125 PolarHBondContact O-OG1 3.38Å; V121-R141 HydrophobicContact CG1-CG 4.22Å; V121-R141 HydrophobicContact CG2-CG 4.33Å; V121-C144 HydrophobicContact CG2-CB 3.51Å; V121-F145 HydrophobicContact CG1-CE1 3.87Å; V121-F145 HydrophobicContact CG1-CZ 3.75Å; V121-F145 HydrophobicContact CG2-CD1 4.33Å; V121-F145 HydrophobicContact CG2-CE1 4.07Å; V121-F145 HydrophobicContact CG2-CZ 4.41Å; V121-M148 HydrophobicContact CG2-SD 3.94Å
122D97.7Very high97.4Very high102 Ų10243.1 Ų43.155%0.54525%0.247SC..Hα-helixtrans-63-46.2178.2-67.8-24.5000111T118 G119 A120 T125 E126T118-D122 PolarHBondContact O-N 3.45Å; T118-D122 VanDerWaalsContact O-N 3.08Å; G119-D122 PolarHBondContact O-N 3.46Å; A120-D122 VanDerWaalsContact C-N 3.34Å; A120-D122 PolarHBondContact O-N 3.37Å; D122-T125 WeakPolarHBondContact O-CA 3.39Å; D122-T125 VanDerWaalsContact O-CB 3.32Å; D122-T125 WeakPolarHBondContact O-CB 3.35Å; D122-T125 PolarHBondContact O-N 3.02Å; D122-T125 VanDerWaalsContact O-N 3.1Å; D122-E126 PolarHBondContact O-N 3.34Å
123L98.4Very high97.3Very high20 Ų2047.6 Ų47.611%0.10527%0.267CS..Hα-helixtrans-66.2-39.4177.7-70.3165.9000112.8K104 E107 A108 K111 G119 A120 T125 E126 A127K104-L123 HydrophobicContact CD-CD2 3.89Å; E107-L123 HydrophobicContact CB-CD1 3.79Å; E107-L123 HydrophobicContact CB-CD2 4.17Å; E107-L123 VanDerWaalsContact OE2-CD2 3.3Å; E107-L123 WeakPolarHBondContact OE2-CD2 3.42Å; A108-L123 HydrophobicContact CB-CB 3.64Å; A108-L123 HydrophobicContact CB-CD1 4.38Å; K111-L123 HydrophobicContact CB-CD1 4.49Å; K111-L123 HydrophobicContact CG-CD1 3.65Å; G119-L123 WeakPolarHBondContact O-CD1 3.32Å; G119-L123 VanDerWaalsContact O-CG 3.3Å; G119-L123 WeakPolarHBondContact O-CG 3.41Å; G119-L123 PolarHBondContact O-N 2.86Å; G119-L123 VanDerWaalsContact O-N 3.08Å; A120-L123 PolarHBondContact O-N 2.72Å; L123-T125 VanDerWaalsContact C-N 3.26Å; L123-T125 PolarHBondContact O-N 3.44Å; L123-E126 WeakPolarHBondContact O-CB 3.4Å; L123-E126 PolarHBondContact O-N 3.5Å; L123-A127 PolarHBondContact O-N 2.8Å
124F98.4Very high97.3Very high0 Ų043.8 Ų43.80%024%0.241CC..Hα-helixtrans-64.8-33.1171.2-74.6-53.7000112K105 A108 M109 M112 A120 V121 A127 I128 R140 R141K105-F124 HydrophobicContact CG-CE1 3.98Å; A108-F124 HydrophobicContact CB-CD1 3.88Å; A108-F124 HydrophobicContact CB-CD2 3.91Å; A108-F124 HydrophobicContact CB-CE1 3.62Å; A108-F124 HydrophobicContact CB-CE2 3.66Å; A108-F124 HydrophobicContact CB-CG 3.99Å; A108-F124 HydrophobicContact CB-CZ 3.48Å; A108-F124 VanDerWaalsContact CB-CZ 3.48Å; M109-F124 HydrophobicContact CG-CZ 4.44Å; M112-F124 HydrophobicContact CG-CE2 4.36Å; M112-F124 HydrophobicContact SD-CE2 3.67Å; M112-F124 HydrophobicContact SD-CZ 3.95Å; A120-F124 HydrophobicContact CB-CE2 4.32Å; A120-F124 WeakPolarHBondContact O-CD2 3.42Å; A120-F124 WeakPolarHBondContact O-CG 3.33Å; A120-F124 PolarHBondContact O-N 2.89Å; V121-F124 PolarHBondContact O-N 3.46Å; F124-A127 PolarHBondContact O-N 3.07Å; F124-I128 WeakPolarHBondContact O-CB 3.28Å; F124-I128 WeakPolarHBondContact O-CD1 3.49Å; F124-I128 WeakPolarHBondContact O-CG1 3.37Å; F124-I128 PolarHBondContact O-N 3.09Å; F124-R140 HydrophobicContact CD1-CB 4.03Å; F124-R140 HydrophobicContact CD2-CB 4.36Å; F124-R140 HydrophobicContact CE1-CB 3.51Å; F124-R140 HydrophobicContact CE1-CG 4.16Å; F124-R140 HydrophobicContact CE2-CB 3.89Å; F124-R140 HydrophobicContact CG-CB 4.45Å; F124-R140 HydrophobicContact CZ-CB 3.46Å; F124-R140 VanDerWaalsContact CZ-CB 3.46Å; F124-R140 HydrophobicContact CZ-CG 4.19Å; F124-R141 HydrophobicContact CB-CB 3.87Å; F124-R141 HydrophobicContact CB-CG 4.12Å; F124-R141 HydrophobicContact CD2-CB 4.37Å; F124-R141 HydrophobicContact CG-CB 4.31Å
125T97.9Very high97.3Very high24 Ų2438 Ų3815%0.14721%0.211CC..Hα-helixtrans-67.2-38.4174.9-60.60000111.4A85 V121 D122 L123 I128 K129 R141A85-T125 HydrophobicContact CB-CG2 3.74Å; V121-T125 WeakPolarHBondContact O-CB 3.49Å; V121-T125 PolarHBondContact O-N 3.28Å; V121-T125 PolarHBondContact O-OG1 3.38Å; D122-T125 WeakPolarHBondContact O-CA 3.39Å; D122-T125 VanDerWaalsContact O-CB 3.32Å; D122-T125 WeakPolarHBondContact O-CB 3.35Å; D122-T125 PolarHBondContact O-N 3.02Å; D122-T125 VanDerWaalsContact O-N 3.1Å; L123-T125 VanDerWaalsContact C-N 3.26Å; L123-T125 PolarHBondContact O-N 3.44Å; T125-I128 PolarHBondContact O-N 3.33Å; T125-K129 WeakPolarHBondContact O-CG 3.4Å; T125-K129 PolarHBondContact O-N 3.35Å; T125-K129 VanDerWaalsContact O-N 3.1Å; T125-R141 PolarHBondContact OG1-NH1 2.87Å
126E97.7Very high97.4Very high84 Ų8439.2 Ų39.239%0.39321%0.206SC..Hα-helixtrans-62.1-45.1169.6-69.1178.8-160.900111.6K104 D122 L123 I128 K129 L130K104-E126 HydrophobicContact CD-CB 4.14Å; K104-E126 VanDerWaalsContact CD-OE2 3.25Å; K104-E126 WeakPolarHBondContact CD-OE2 3.33Å; K104-E126 WeakPolarHBondContact CE-OE2 3.37Å; K104-E126 HydrophobicContact CG-CB 4.32Å; K104-E126 IonicContact NZ-OE2 3.73Å; K104-E126 PolarHBondContact NZ-OE2 3.18Å; D122-E126 PolarHBondContact O-N 3.34Å; L123-E126 WeakPolarHBondContact O-CB 3.4Å; L123-E126 PolarHBondContact O-N 3.5Å; E126-I128 PolarHBondContact O-N 2.93Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 2.92Å
127A97.9Very high97.4Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-60.9-41.4176.800000112.6A101 K104 L123 F124 L130 N131 F137A101-A127 HydrophobicContact CB-CB 4.44Å; K104-A127 HydrophobicContact CB-CB 3.91Å; L123-A127 PolarHBondContact O-N 2.8Å; F124-A127 PolarHBondContact O-N 3.07Å; A127-L130 PolarHBondContact O-N 3.42Å; A127-N131 PolarHBondContact O-N 2.89Å; A127-F137 HydrophobicContact CB-CD1 4.09Å; A127-F137 HydrophobicContact CB-CD2 4.17Å; A127-F137 HydrophobicContact CB-CE1 4.27Å; A127-F137 HydrophobicContact CB-CE2 4.37Å; A127-F137 HydrophobicContact CB-CG 4.06Å; A127-F137 HydrophobicContact CB-CZ 4.41Å
128I97.7Very high97.4Very high0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-64.5-39.5177-72.8163.4000111.3M86 F124 T125 E126 L130 N131 P132 F137 R141M86-I128 VanDerWaalsContact O-CG2 3.23Å; M86-I128 WeakPolarHBondContact O-CG2 3.14Å; F124-I128 WeakPolarHBondContact O-CB 3.28Å; F124-I128 WeakPolarHBondContact O-CD1 3.49Å; F124-I128 WeakPolarHBondContact O-CG1 3.37Å; F124-I128 PolarHBondContact O-N 3.09Å; T125-I128 PolarHBondContact O-N 3.33Å; E126-I128 PolarHBondContact O-N 2.93Å; I128-L130 VanDerWaalsContact C-N 3.26Å; I128-L130 PolarHBondContact O-N 3.38Å; I128-N131 CarbonylContact O-C 3.3Å; I128-N131 VanDerWaalsContact O-C 3.3Å; I128-N131 PolarHBondContact O-N 2.92Å; I128-P132 WeakPolarHBondContact O-CA 3.37Å; I128-P132 WeakPolarHBondContact O-CB 3.33Å; I128-P132 VanDerWaalsContact O-CD 3.3Å; I128-P132 WeakPolarHBondContact O-CD 3.35Å; I128-F137 HydrophobicContact CD1-CB 4.31Å; I128-F137 HydrophobicContact CG1-CB 3.58Å; I128-R141 HydrophobicContact CD1-CB 4.46Å
129K96.8Very high97.4Very high121 Ų12132 Ų3253%0.52617%0.165SC..Hα-helixtrans-63.8-33.3175.6-73.1173.1-178.5176.70112.4T125 E126T125-K129 WeakPolarHBondContact O-CG 3.4Å; T125-K129 PolarHBondContact O-N 3.35Å; T125-K129 VanDerWaalsContact O-N 3.1Å; E126-K129 PolarHBondContact O-N 2.91Å
130L97.1Very high97.4Very high45 Ų4535.3 Ų35.324%0.23617%0.174CC..Hα-helixtrans-78.8-36.1177.8-68.4167.6000112.5M97 K100 A101 K104 E126 A127 I128M97-L130 WeakPolarHBondContact CE-O 3.36Å; K100-L130 HydrophobicContact CB-CD1 3.77Å; A101-L130 HydrophobicContact CB-CB 3.86Å; A101-L130 HydrophobicContact CB-CD1 4.41Å; K104-L130 HydrophobicContact CG-CD1 4.3Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 2.92Å; A127-L130 PolarHBondContact O-N 3.42Å; I128-L130 VanDerWaalsContact C-N 3.26Å; I128-L130 PolarHBondContact O-N 3.38Å
131N96.2Very high97.4Very high24 Ų2435.4 Ų35.413%0.12817%0.174CC..  trans-145.482.9179.1176.27.9000110.9V93 A101 A127 I128 Q133 S134 F137V93-N131 HydrophobicContact CG1-CB 3.78Å; V93-N131 HydrophobicContact CG2-CB 4.42Å; A101-N131 HydrophobicContact CB-CB 3.99Å; A127-N131 PolarHBondContact O-N 2.89Å; I128-N131 CarbonylContact O-C 3.3Å; I128-N131 VanDerWaalsContact O-C 3.3Å; I128-N131 PolarHBondContact O-N 2.92Å; N131-Q133 PolarHBondContact O-N 3.36Å; N131-S134 PolarHBondContact O-N 3.44Å; N131-S134 PolarHBondContact OD1-N 3.43Å; N131-F137 HydrophobicContact CB-CE2 3.97Å
132P95.7Very high97.4Very high0 Ų034.6 Ų34.60%017%0.17CC..THydrogen-bonded Turntrans-71.3-19-17521.7-27.7000113.8D88 I91 I128 S134 H138 L164D88-P132 WeakPolarHBondContact O-CG 3.36Å; I91-P132 HydrophobicContact CG2-CG 3.53Å; I128-P132 WeakPolarHBondContact O-CA 3.37Å; I128-P132 WeakPolarHBondContact O-CB 3.33Å; I128-P132 VanDerWaalsContact O-CD 3.3Å; I128-P132 WeakPolarHBondContact O-CD 3.35Å; P132-S134 VanDerWaalsContact C-N 3.27Å; P132-S134 PolarHBondContact O-N 2.95Å; P132-H138 PolarHBondContact O-NE2 2.87Å; P132-L164 WeakPolarHBondContact O-CD1 3.41Å
133Q94.8Very high97.4Very high115 Ų11529.9 Ų29.954%0.53715%0.145SC..THydrogen-bonded Turntrans-80.4-6-179.5-63.1-172.6-24.300113.4N131 S135N131-Q133 PolarHBondContact O-N 3.36Å; Q133-S135 PolarHBondContact O-N 3.08Å
134S96.3Very high97.4Very high23 Ų2329 Ų2916%0.16114%0.14CC..  trans-81.1103.5176.4178.40000111.4N131 P132 L136 F137 H138N131-S134 PolarHBondContact O-N 3.44Å; N131-S134 PolarHBondContact OD1-N 3.43Å; P132-S134 VanDerWaalsContact C-N 3.27Å; P132-S134 PolarHBondContact O-N 2.95Å; S134-L136 PolarHBondContact O-N 2.89Å; S134-L136 VanDerWaalsContact O-N 3.11Å; S134-F137 VanDerWaalsContact CB-CE2 3.44Å; S134-F137 PolarHBondContact O-N 2.95Å; S134-F137 WeakPolarHBondContact OG-CD2 3.35Å; S134-F137 WeakPolarHBondContact OG-CE2 3.45Å; S134-H138 PolarHBondContact O-CD2 3.12Å
135S97.2Very high97.4Very high11 Ų1129.3 Ų29.38%0.07714%0.142CC..Hα-helixtrans-51-33.6171.8176.60000112.7Q133 F137 A139 A161Q133-S135 PolarHBondContact O-N 3.08Å; S135-F137 PolarHBondContact O-N 3.05Å; S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 2.64Å; S135-A161 WeakPolarHBondContact CB-O 3.34Å; S135-A161 WeakPolarHBondContact O-CB 3.31Å; S135-A161 PolarHBondContact OG-O 3.45Å
136L97.3Very high97.4Very high68 Ų6829 Ų2936%0.35614%0.14SC..Hα-helixtrans-60.7-42.5-178.3-179.666.3000112.8K105 S134 A139 R140K105-L136 HydrophobicContact CD-CD2 3.82Å; S134-L136 PolarHBondContact O-N 2.89Å; S134-L136 VanDerWaalsContact O-N 3.11Å; L136-A139 PolarHBondContact O-N 2.86Å; L136-R140 HydrophobicContact CD1-CG 4.07Å; L136-R140 HydrophobicContact CG-CG 4.29Å; L136-R140 WeakPolarHBondContact O-CB 3.26Å; L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.36Å
137F97.9Very high97.3Very high5 Ų531.1 Ų31.12%0.02214%0.144CC..Hα-helixtrans-68.7-42.9-175.7-57.7-42.4000111.6A101 K105 A127 I128 N131 S134 S135 R140 R141A101-F137 HydrophobicContact CB-CE2 3.77Å; A101-F137 HydrophobicContact CB-CZ 3.79Å; K105-F137 HydrophobicContact CB-CD1 4.33Å; K105-F137 HydrophobicContact CB-CE1 3.75Å; K105-F137 HydrophobicContact CD-CD1 4.38Å; K105-F137 HydrophobicContact CD-CE1 3.87Å; K105-F137 HydrophobicContact CG-CD1 4.17Å; K105-F137 HydrophobicContact CG-CE1 3.87Å; A127-F137 HydrophobicContact CB-CD1 4.09Å; A127-F137 HydrophobicContact CB-CD2 4.17Å; A127-F137 HydrophobicContact CB-CE1 4.27Å; A127-F137 HydrophobicContact CB-CE2 4.37Å; A127-F137 HydrophobicContact CB-CG 4.06Å; A127-F137 HydrophobicContact CB-CZ 4.41Å; I128-F137 HydrophobicContact CD1-CB 4.31Å; I128-F137 HydrophobicContact CG1-CB 3.58Å; N131-F137 HydrophobicContact CB-CE2 3.97Å; S134-F137 VanDerWaalsContact CB-CE2 3.44Å; S134-F137 PolarHBondContact O-N 2.95Å; S134-F137 WeakPolarHBondContact OG-CD2 3.35Å; S134-F137 WeakPolarHBondContact OG-CE2 3.45Å; S135-F137 PolarHBondContact O-N 3.05Å; F137-R140 PolarHBondContact O-N 3.47Å; F137-R141 WeakPolarHBondContact O-CB 3.48Å; F137-R141 PolarHBondContact O-N 3.39Å
138H98.1Very high97.2Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-59.1-47.2172.6-63.7-74.8000111M86 P132 S134 R140 R141 A142 A161M86-H138 PolarHBondContact O-CE1 3.08Å; P132-H138 PolarHBondContact O-NE2 2.87Å; S134-H138 PolarHBondContact O-CD2 3.12Å; H138-R140 VanDerWaalsContact C-N 3.33Å; H138-R140 PolarHBondContact O-N 3.21Å; H138-R141 PolarHBondContact O-N 3.31Å; H138-A142 WeakPolarHBondContact O-CB 3.5Å; H138-A142 PolarHBondContact O-N 3.48Å; H138-A161 HydrophobicContact CB-CB 3.85Å
139A98.3Very high97.2Very high3 Ų340.7 Ų40.73%0.02519%0.187CC..Hα-helixtrans-61-39.1177.700000113.2S135 L136 S143 A161 Q170 P171S135-A139 WeakPolarHBondContact O-CB 3.42Å; S135-A139 PolarHBondContact O-N 2.64Å; L136-A139 PolarHBondContact O-N 2.86Å; A139-S143 PolarHBondContact O-N 3.42Å; A139-S143 VanDerWaalsContact O-N 3.08Å; A139-A161 HydrophobicContact CB-CB 4.28Å; A139-Q170 HydrophobicContact CB-CB 4.47Å; A139-P171 HydrophobicContact CB-CG 3.92Å
140R98Very high97.1Very high81 Ų8138.7 Ų38.731%0.30618%0.178SC..Hα-helixtrans-71.7-40178.4-70.5-70.9-176.8-178.40.3111.9F124 L136 F137 H138 S143 C144F124-R140 HydrophobicContact CD1-CB 4.03Å; F124-R140 HydrophobicContact CD2-CB 4.36Å; F124-R140 HydrophobicContact CE1-CB 3.51Å; F124-R140 HydrophobicContact CE1-CG 4.16Å; F124-R140 HydrophobicContact CE2-CB 3.89Å; F124-R140 HydrophobicContact CG-CB 4.45Å; F124-R140 HydrophobicContact CZ-CB 3.46Å; F124-R140 VanDerWaalsContact CZ-CB 3.46Å; F124-R140 HydrophobicContact CZ-CG 4.19Å; L136-R140 HydrophobicContact CD1-CG 4.07Å; L136-R140 HydrophobicContact CG-CG 4.29Å; L136-R140 WeakPolarHBondContact O-CB 3.26Å; L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.36Å; F137-R140 PolarHBondContact O-N 3.47Å; H138-R140 VanDerWaalsContact C-N 3.33Å; H138-R140 PolarHBondContact O-N 3.21Å; R140-S143 WeakPolarHBondContact O-CB 3.35Å; R140-S143 PolarHBondContact O-N 2.95Å; R140-S143 PolarHBondContact O-OG 2.96Å; R140-C144 PolarHBondContact O-N 3.42Å; R140-C144 PolarHBondContact O-SG 3.26Å; R140-C144 VanDerWaalsContact O-SG 3.41Å
141R98.2Very high97.1Very high1 Ų136.9 Ų36.90%0.00417%0.169CC..Hα-helixtrans-64.2-40.7173.5-165.5173.869.3-178.1-4.3111.4A85 M86 V121 F124 T125 I128 F137 H138 S143 C144 F145 D157A85-R141 PolarHBondContact O-NH1 3.32Å; A85-R141 PolarHBondContact O-NH2 3Å; M86-R141 PolarHBondContact SD-NH2 3.3Å; V121-R141 HydrophobicContact CG1-CG 4.22Å; V121-R141 HydrophobicContact CG2-CG 4.33Å; F124-R141 HydrophobicContact CB-CB 3.87Å; F124-R141 HydrophobicContact CB-CG 4.12Å; F124-R141 HydrophobicContact CD2-CB 4.37Å; F124-R141 HydrophobicContact CG-CB 4.31Å; T125-R141 PolarHBondContact OG1-NH1 2.87Å; I128-R141 HydrophobicContact CD1-CB 4.46Å; F137-R141 WeakPolarHBondContact O-CB 3.48Å; F137-R141 PolarHBondContact O-N 3.39Å; H138-R141 PolarHBondContact O-N 3.31Å; R141-S143 VanDerWaalsContact C-N 3.32Å; R141-S143 PolarHBondContact O-N 3.31Å; R141-C144 WeakPolarHBondContact O-CA 2.87Å; R141-C144 WeakPolarHBondContact O-CB 3.29Å; R141-C144 PolarHBondContact O-N 2.83Å; R141-F145 HydrophobicContact CG-CD2 4.19Å; R141-F145 HydrophobicContact CG-CE2 3.67Å; R141-F145 HydrophobicContact CG-CZ 4.18Å; R141-F145 WeakPolarHBondContact O-CD2 3.41Å; R141-F145 PolarHBondContact O-N 3.3Å; R141-D157 VanDerWaalsContact CB-OD2 3.31Å; R141-D157 WeakPolarHBondContact CB-OD2 3.41Å; R141-D157 WeakPolarHBondContact CG-OD2 3.36Å; R141-D157 IonicContact CZ-OD1 2.79Å; R141-D157 IonicContact CZ-OD2 3.41Å; R141-D157 IonicContact NE-OD1 2.63Å; R141-D157 PolarHBondContact NE-OD1 2.85Å; R141-D157 IonicContact NE-OD2 2.55Å; R141-D157 PolarHBondContact NE-OD2 3.34Å; R141-D157 IonicContact NH2-OD1 3.55Å; R141-D157 PolarHBondContact NH2-OD1 3.14Å; R141-D157 IonicContact NH2-OD2 2.61Å
142A98.2Very high97.1Very high0 Ų036 Ų360%017%0.165CC..Hα-helixtrans-56.3-43.5171.100000112.6H138 C144 F145 V146 A154 D157 C158 W174H138-A142 WeakPolarHBondContact O-CB 3.5Å; H138-A142 PolarHBondContact O-N 3.48Å; A142-C144 PolarHBondContact O-N 2.98Å; A142-F145 PolarHBondContact O-N 3.34Å; A142-F145 VanDerWaalsContact O-N 3.09Å; A142-V146 WeakPolarHBondContact O-CG2 3.33Å; A142-V146 PolarHBondContact O-N 3.09Å; A142-A154 HydrophobicContact CB-CB 4.34Å; A142-D157 HydrophobicContact CB-CB 3.74Å; A142-D157 PolarHBondContact N-OD2 2.82Å; A142-C158 WeakPolarHBondContact CB-SG 3.49Å; A142-W174 HydrophobicContact CB-CB 4.3Å
143S98Very high97.1Very high3 Ų336.9 Ų36.92%0.02117%0.169CC..Hα-helixtrans-59.8-35.3176.682.60000112.8M112 A139 R140 R141 R147M112-S143 WeakPolarHBondContact CE-OG 3.22Å; A139-S143 PolarHBondContact O-N 3.42Å; A139-S143 VanDerWaalsContact O-N 3.08Å; R140-S143 WeakPolarHBondContact O-CB 3.35Å; R140-S143 PolarHBondContact O-N 2.95Å; R140-S143 PolarHBondContact O-OG 2.96Å; R141-S143 VanDerWaalsContact C-N 3.32Å; R141-S143 PolarHBondContact O-N 3.31Å; S143-R147 WeakPolarHBondContact O-CG 3.27Å; S143-R147 PolarHBondContact O-N 3.39Å
144C98.1Very high97.2Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-67.7-45.7173.8-59.60000110.5M112 V121 R140 R141 A142 V146 R147 M148M112-C144 VanDerWaalsContact SD-SG 3.62Å; V121-C144 HydrophobicContact CG2-CB 3.51Å; R140-C144 PolarHBondContact O-N 3.42Å; R140-C144 PolarHBondContact O-SG 3.26Å; R140-C144 VanDerWaalsContact O-SG 3.41Å; R141-C144 WeakPolarHBondContact O-CA 2.87Å; R141-C144 WeakPolarHBondContact O-CB 3.29Å; R141-C144 PolarHBondContact O-N 2.83Å; A142-C144 PolarHBondContact O-N 2.98Å; C144-V146 VanDerWaalsContact C-N 3.33Å; C144-V146 PolarHBondContact O-N 3.35Å; C144-R147 CarbonylContact O-C 3.59Å; C144-R147 PolarHBondContact O-N 3.31Å; C144-R147 VanDerWaalsContact O-N 3.15Å; C144-M148 WeakPolarHBondContact O-CB 3.34Å; C144-M148 VanDerWaalsContact O-CG 3.24Å; C144-M148 WeakPolarHBondContact O-CG 3.35Å; C144-M148 PolarHBondContact O-N 3Å
145F97.5Very high97.2Very high8 Ų831.6 Ų31.64%0.03514%0.142CC..Hα-helixtrans-60.8-38.4177.3-71.9-47000113.3L84 V121 R141 A142 M148 K149 K150 H153 A154 D157L84-F145 HydrophobicContact CD1-CE2 4.45Å; L84-F145 HydrophobicContact CD2-CE2 4.13Å; L84-F145 HydrophobicContact CD2-CZ 3.87Å; V121-F145 HydrophobicContact CG1-CE1 3.87Å; V121-F145 HydrophobicContact CG1-CZ 3.75Å; V121-F145 HydrophobicContact CG2-CD1 4.33Å; V121-F145 HydrophobicContact CG2-CE1 4.07Å; V121-F145 HydrophobicContact CG2-CZ 4.41Å; R141-F145 HydrophobicContact CG-CD2 4.19Å; R141-F145 HydrophobicContact CG-CE2 3.67Å; R141-F145 HydrophobicContact CG-CZ 4.18Å; R141-F145 WeakPolarHBondContact O-CD2 3.41Å; R141-F145 PolarHBondContact O-N 3.3Å; A142-F145 PolarHBondContact O-N 3.34Å; A142-F145 VanDerWaalsContact O-N 3.09Å; F145-M148 CarbonylContact O-C 3.5Å; F145-M148 PolarHBondContact O-N 3.24Å; F145-K149 PolarHBondContact O-N 3.14Å; F145-K149 VanDerWaalsContact O-N 3.16Å; F145-K150 HydrophobicContact CB-CB 4.24Å; F145-K150 HydrophobicContact CD1-CB 4.17Å; F145-K150 HydrophobicContact CD1-CD 4.07Å; F145-K150 HydrophobicContact CE1-CD 4.43Å; F145-K150 PolarHBondContact O-N 3.2Å; F145-H153 HydrophobicContact CB-CB 4.14Å; F145-H153 HydrophobicContact CD1-CB 3.83Å; F145-H153 HydrophobicContact CD2-CB 3.64Å; F145-H153 HydrophobicContact CE1-CB 4.08Å; F145-H153 AromaticContact CE1-CD2 3.95Å; F145-H153 HydrophobicContact CE2-CB 3.88Å; F145-H153 HydrophobicContact CG-CB 3.61Å; F145-H153 HydrophobicContact CZ-CB 4.11Å; F145-A154 HydrophobicContact CB-CB 3.85Å; F145-D157 VanDerWaalsContact CE2-OD2 3.3Å; F145-D157 WeakPolarHBondContact CE2-OD2 3.34Å
146V97.4Very high97.2Very high18 Ų1832.2 Ų32.211%0.10915%0.148CC..Hα-helixtrans-60.3-49.5172.2172.80000110.6A142 C144 M148 K149 A154 W174 F177 A178 M181A142-V146 WeakPolarHBondContact O-CG2 3.33Å; A142-V146 PolarHBondContact O-N 3.09Å; C144-V146 VanDerWaalsContact C-N 3.33Å; C144-V146 PolarHBondContact O-N 3.35Å; V146-M148 PolarHBondContact O-N 3.14Å; V146-K149 PolarHBondContact O-N 3.43Å; V146-A154 HydrophobicContact CG2-CB 3.65Å; V146-W174 HydrophobicContact CB-CE3 4.21Å; V146-W174 HydrophobicContact CG1-CE3 4.22Å; V146-W174 HydrophobicContact CG1-CZ3 4.44Å; V146-W174 HydrophobicContact CG2-CB 4.31Å; V146-W174 HydrophobicContact CG2-CE3 4.19Å; V146-F177 HydrophobicContact CG1-CB 3.98Å; V146-A178 HydrophobicContact CG2-CB 4.28Å; V146-M181 HydrophobicContact CG1-SD 4.22Å
147R96.8Very high97.2Very high128 Ų12829 Ų2948%0.48313%0.131SC..Hα-helixtrans-62.9-29.3177.4-68.7174.169.3-171.6-1.6112.8M112 L117 S143 C144 K149M112-R147 PolarHBondContact O-NH1 3.19Å; L117-R147 HydrophobicContact CD1-CB 3.52Å; L117-R147 HydrophobicContact CD2-CB 4.2Å; S143-R147 WeakPolarHBondContact O-CG 3.27Å; S143-R147 PolarHBondContact O-N 3.39Å; C144-R147 CarbonylContact O-C 3.59Å; C144-R147 PolarHBondContact O-N 3.31Å; C144-R147 VanDerWaalsContact O-N 3.15Å; R147-K149 VanDerWaalsContact C-N 3.29Å
148M96.6Very high97.2Very high50 Ų5028.7 Ų28.725%0.24613%0.13CC..THydrogen-bonded Turntrans-83.93.4175.2-67175.572.100114L117 T118 V121 C144 F145 V146 K150L117-M148 HydrophobicContact CB-CG 3.62Å; L117-M148 HydrophobicContact CB-SD 3.86Å; L117-M148 HydrophobicContact CD1-CG 3.74Å; L117-M148 HydrophobicContact CG-CG 4.32Å; T118-M148 HydrophobicContact CG2-CE 3.57Å; V121-M148 HydrophobicContact CG2-SD 3.94Å; C144-M148 WeakPolarHBondContact O-CB 3.34Å; C144-M148 VanDerWaalsContact O-CG 3.24Å; C144-M148 WeakPolarHBondContact O-CG 3.35Å; C144-M148 PolarHBondContact O-N 3Å; F145-M148 CarbonylContact O-C 3.5Å; F145-M148 PolarHBondContact O-N 3.24Å; V146-M148 PolarHBondContact O-N 3.14Å; M148-K150 VanDerWaalsContact C-N 3.34Å; M148-K150 HydrophobicContact CB-CG 4.38Å; M148-K150 PolarHBondContact O-N 2.96Å
149K95.8Very high97.2Very high150 Ų15032.1 Ų32.165%0.65215%0.148SC*.THydrogen-bonded Turntrans57.738.5-174.9-53.9-171.1176.8-173.50114.9L76 F145 V146 R147 P151 M181L76-K149 HydrophobicContact CD1-CB 3.98Å; F145-K149 PolarHBondContact O-N 3.14Å; F145-K149 VanDerWaalsContact O-N 3.16Å; V146-K149 PolarHBondContact O-N 3.43Å; R147-K149 VanDerWaalsContact C-N 3.29Å; K149-P151 WeakPolarHBondContact O-CD 3.48Å; K149-M181 VanDerWaalsContact CA-CE 3.47Å; K149-M181 HydrophobicContact CB-CE 3.71Å; K149-M181 HydrophobicContact CG-CE 3.81Å
150K95.8Very high97.1Very high79 Ų7933.6 Ų33.634%0.34315%0.154SC..  trans-111.769.2175.7-65.5-172.4175.3-172.80111.5F145 M148 S152 H153 A154F145-K150 HydrophobicContact CB-CB 4.24Å; F145-K150 HydrophobicContact CD1-CB 4.17Å; F145-K150 HydrophobicContact CD1-CD 4.07Å; F145-K150 HydrophobicContact CE1-CD 4.43Å; F145-K150 PolarHBondContact O-N 3.2Å; M148-K150 VanDerWaalsContact C-N 3.34Å; M148-K150 HydrophobicContact CB-CG 4.38Å; M148-K150 PolarHBondContact O-N 2.96Å; K150-S152 PolarHBondContact O-N 3.07Å; K150-H153 HydrophobicContact CB-CB 4.19Å; K150-H153 PolarHBondContact O-N 3.22Å; K150-A154 PolarHBondContact O-N 3Å; K150-A154 VanDerWaalsContact O-N 3.15Å
151P96.4Very high97.1Very high7 Ų729.7 Ų29.75%0.04514%0.139CC..Hα-helixtrans-61.9-39.8-170.824.5-34.6000113.5L76 K149 H153 A154 I155 A178 M181 I182L76-P151 HydrophobicContact CB-CG 4.44Å; L76-P151 HydrophobicContact CD1-CG 4.22Å; K149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-H153 VanDerWaalsContact C-N 3.28Å; P151-H153 PolarHBondContact O-N 3.45Å; P151-A154 PolarHBondContact O-N 3.43Å; P151-I155 WeakPolarHBondContact O-CG1 3.32Å; P151-I155 PolarHBondContact O-N 3.29Å; P151-A178 HydrophobicContact CB-CB 3.97Å; P151-A178 WeakPolarHBondContact CB-O 3.39Å; P151-M181 HydrophobicContact CB-CB 4.22Å; P151-M181 HydrophobicContact CG-CB 4.41Å; P151-I182 HydrophobicContact CB-CG2 3.65Å; P151-I182 HydrophobicContact CG-CG2 3.34Å
152S95.7Very high97.1Very high6 Ų630.8 Ų30.84%0.04215%0.145CC..Hα-helixtrans-60.4-37.7178.3-56.50000112.6E79 V81 K150 A156E79-S152 PolarHBondContact N-OG 3.18Å; E79-S152 VanDerWaalsContact O-CB 3.22Å; E79-S152 WeakPolarHBondContact O-CB 3.37Å; E79-S152 PolarHBondContact O-OG 2.97Å; V81-S152 WeakPolarHBondContact CG2-O 3.33Å; K150-S152 PolarHBondContact O-N 3.07Å; S152-A156 PolarHBondContact O-N 3.3Å
153H95.8Very high97.1Very high18 Ų1834.8 Ų34.88%0.08317%0.173CC..Hα-helixtrans-70.2-41.9177.2-62.956.9000110.8P82 L84 F145 K150 P151 I155 A156 D157P82-H153 WeakPolarHBondContact CD-CE1 3.4Å; P82-H153 WeakPolarHBondContact CD-NE2 3.25Å; P82-H153 WeakPolarHBondContact CG-NE2 3.46Å; L84-H153 HydrophobicContact CD1-CB 4.24Å; F145-H153 HydrophobicContact CB-CB 4.14Å; F145-H153 HydrophobicContact CD1-CB 3.83Å; F145-H153 HydrophobicContact CD2-CB 3.64Å; F145-H153 HydrophobicContact CE1-CB 4.08Å; F145-H153 AromaticContact CE1-CD2 3.95Å; F145-H153 HydrophobicContact CE2-CB 3.88Å; F145-H153 HydrophobicContact CG-CB 3.61Å; F145-H153 HydrophobicContact CZ-CB 4.11Å; K150-H153 HydrophobicContact CB-CB 4.19Å; K150-H153 PolarHBondContact O-N 3.22Å; P151-H153 VanDerWaalsContact C-N 3.28Å; P151-H153 PolarHBondContact O-N 3.45Å; H153-I155 PolarHBondContact O-N 3.09Å; H153-A156 PolarHBondContact O-N 3.35Å; H153-D157 PolarHBondContact O-N 2.95Å
154A97.5Very high97.1Very high0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-61.7-42176.200000112.4A142 F145 V146 K150 P151 D157 C158 A178A142-A154 HydrophobicContact CB-CB 4.34Å; F145-A154 HydrophobicContact CB-CB 3.85Å; V146-A154 HydrophobicContact CG2-CB 3.65Å; K150-A154 PolarHBondContact O-N 3Å; K150-A154 VanDerWaalsContact O-N 3.15Å; P151-A154 PolarHBondContact O-N 3.43Å; A154-D157 PolarHBondContact O-N 3.01Å; A154-C158 WeakPolarHBondContact O-CB 3.48Å; A154-C158 PolarHBondContact O-N 3.29Å; A154-C158 PolarHBondContact O-SG 3.35Å; A154-A178 HydrophobicContact CB-CB 3.91Å
155I97.3Very high97Very high27 Ų2740.4 Ų40.414%0.13820%0.203CC..Hα-helixtrans-60.7-47.5178.1-69.2165.2000110.6P151 H153 D157 C158 D159 R175 A178 I182P151-I155 WeakPolarHBondContact O-CG1 3.32Å; P151-I155 PolarHBondContact O-N 3.29Å; H153-I155 PolarHBondContact O-N 3.09Å; I155-D157 PolarHBondContact O-N 3.49Å; I155-C158 PolarHBondContact O-N 2.85Å; I155-C158 VanDerWaalsContact O-N 3.14Å; I155-D159 PolarHBondContact O-N 3.24Å; I155-R175 HydrophobicContact CG1-CG 4.21Å; I155-R175 HydrophobicContact CG2-CG 4.41Å; I155-A178 HydrophobicContact CD1-CB 4.26Å; I155-A178 HydrophobicContact CG1-CB 3.72Å; I155-I182 HydrophobicContact CD1-CD1 3.78Å
156A96.3Very high97Very high24 Ų2443.2 Ų43.220%0.19822%0.222CC..Hα-helixtrans-59-45.517900000112.8V81 L84 S152 H153 D159 K160V81-A156 HydrophobicContact CG1-CB 3.8Å; L84-A156 HydrophobicContact CD1-CB 4Å; S152-A156 PolarHBondContact O-N 3.3Å; H153-A156 PolarHBondContact O-N 3.35Å; A156-D159 PolarHBondContact O-N 2.95Å; A156-K160 PolarHBondContact O-N 3.46Å; A156-K160 VanDerWaalsContact O-N 3.09Å
157D97.5Very high97Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-64.3-39175-84.7-3.6000112.3M86 R141 A142 F145 H153 A154 I155 K160 A161M86-D157 WeakPolarHBondContact CE-OD1 3.41Å; R141-D157 VanDerWaalsContact CB-OD2 3.31Å; R141-D157 WeakPolarHBondContact CB-OD2 3.41Å; R141-D157 WeakPolarHBondContact CG-OD2 3.36Å; R141-D157 IonicContact CZ-OD1 2.79Å; R141-D157 IonicContact CZ-OD2 3.41Å; R141-D157 IonicContact NE-OD1 2.63Å; R141-D157 PolarHBondContact NE-OD1 2.85Å; R141-D157 IonicContact NE-OD2 2.55Å; R141-D157 PolarHBondContact NE-OD2 3.34Å; R141-D157 IonicContact NH2-OD1 3.55Å; R141-D157 PolarHBondContact NH2-OD1 3.14Å; R141-D157 IonicContact NH2-OD2 2.61Å; A142-D157 HydrophobicContact CB-CB 3.74Å; A142-D157 PolarHBondContact N-OD2 2.82Å; F145-D157 VanDerWaalsContact CE2-OD2 3.3Å; F145-D157 WeakPolarHBondContact CE2-OD2 3.34Å; H153-D157 PolarHBondContact O-N 2.95Å; A154-D157 PolarHBondContact O-N 3.01Å; I155-D157 PolarHBondContact O-N 3.49Å; D157-K160 PolarHBondContact O-N 3.2Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.31Å; D157-A161 PolarHBondContact O-N 3.49Å
158C98.3Very high97Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-66.6-42.2177.2-67.90000112A142 A154 I155 K160 A161 I162 P171 R175A142-C158 WeakPolarHBondContact CB-SG 3.49Å; A154-C158 WeakPolarHBondContact O-CB 3.48Å; A154-C158 PolarHBondContact O-N 3.29Å; A154-C158 PolarHBondContact O-SG 3.35Å; I155-C158 PolarHBondContact O-N 2.85Å; I155-C158 VanDerWaalsContact O-N 3.14Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 2.79Å; C158-A161 PolarHBondContact O-N 3.08Å; C158-I162 WeakPolarHBondContact O-CB 3.27Å; C158-I162 VanDerWaalsContact O-CG1 3.23Å; C158-I162 WeakPolarHBondContact O-CG1 3.35Å; C158-I162 PolarHBondContact O-N 3.08Å; C158-P171 HydrophobicContact CB-CB 4.46Å; C158-P171 PolarHBondContact SG-O 2.86Å; C158-R175 HydrophobicContact CB-CB 3.65Å; C158-R175 HydrophobicContact CB-CG 4.02Å; C158-R175 PolarHBondContact SG-N 3.44Å; C158-R175 VanDerWaalsContact SG-N 3.43Å
159D97.6Very high97.1Very high71 Ų7141.7 Ų41.738%0.3823%0.227SC..Hα-helixtrans-60.6-43.3176.5-71.1-20.5000110.8I155 A156 I162 S163 R175I155-D159 PolarHBondContact O-N 3.24Å; A156-D159 PolarHBondContact O-N 2.95Å; D159-I162 PolarHBondContact O-N 3.33Å; D159-S163 WeakPolarHBondContact O-CB 3.36Å; D159-S163 PolarHBondContact O-N 2.92Å; D159-R175 VanDerWaalsContact OD1-CD 3.22Å; D159-R175 WeakPolarHBondContact OD1-CD 3.5Å; D159-R175 IonicContact OD1-CZ 3.45Å; D159-R175 IonicContact OD1-NE 3.6Å; D159-R175 IonicContact OD1-NH1 3.95Å; D159-R175 PolarHBondContact OD1-NH1 3.2Å
160K97Very high97.2Very high34 Ų3436.9 Ų36.915%0.14821%0.207CC..Hα-helixtrans-62.2-46.7172.8-176.660.3174.8175.90111.6M86 D89 A156 D157 C158 I162 S163 L164M86-K160 HydrophobicContact CE-CB 3.6Å; M86-K160 HydrophobicContact CE-CG 4.05Å; D89-K160 WeakPolarHBondContact OD1-CE 3.29Å; D89-K160 IonicContact OD1-NZ 3.36Å; D89-K160 PolarHBondContact OD1-NZ 3.03Å; D89-K160 IonicContact OD2-NZ 3.89Å; D89-K160 PolarHBondContact OD2-NZ 3.37Å; A156-K160 PolarHBondContact O-N 3.46Å; A156-K160 VanDerWaalsContact O-N 3.09Å; D157-K160 PolarHBondContact O-N 3.2Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 2.79Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 3.14Å; K160-S163 PolarHBondContact O-N 3.28Å; K160-S163 PolarHBondContact O-OG 3.48Å; K160-L164 HydrophobicContact CD-CD1 4.44Å; K160-L164 HydrophobicContact CG-CD1 4.26Å; K160-L164 WeakPolarHBondContact O-CG 3.38Å; K160-L164 PolarHBondContact O-N 3.07Å; K160-L164 VanDerWaalsContact O-N 3.12Å
161A98.2Very high97.3Very high0 Ų033.1 Ų33.10%019%0.191CC..Hα-helixtrans-61.7-40.1179.700000112.8S135 H138 A139 D157 C158 L164 N165 P171S135-A161 WeakPolarHBondContact CB-O 3.34Å; S135-A161 WeakPolarHBondContact O-CB 3.31Å; S135-A161 PolarHBondContact OG-O 3.45Å; H138-A161 HydrophobicContact CB-CB 3.85Å; A139-A161 HydrophobicContact CB-CB 4.28Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.31Å; D157-A161 PolarHBondContact O-N 3.49Å; C158-A161 PolarHBondContact O-N 3.08Å; A161-L164 PolarHBondContact O-N 3.43Å; A161-N165 PolarHBondContact O-N 2.97Å; A161-P171 HydrophobicContact CB-CB 3.9Å; A161-P171 HydrophobicContact CB-CG 3.53Å
162I98.3Very high97.5Very high24 Ų2434.2 Ų34.212%0.12319%0.194CC..Hα-helixtrans-66.9-40.5175.7-69.2164.2000110.5C158 D159 K160 L164 N165 P166 P171 Y172 R175C158-I162 WeakPolarHBondContact O-CB 3.27Å; C158-I162 VanDerWaalsContact O-CG1 3.23Å; C158-I162 WeakPolarHBondContact O-CG1 3.35Å; C158-I162 PolarHBondContact O-N 3.08Å; D159-I162 PolarHBondContact O-N 3.33Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 3.14Å; I162-L164 PolarHBondContact O-N 3.35Å; I162-N165 CarbonylContact O-C 3.27Å; I162-N165 PolarHBondContact O-N 3.48Å; I162-P166 WeakPolarHBondContact O-CA 3.47Å; I162-P166 VanDerWaalsContact O-N 3.16Å; I162-P171 HydrophobicContact CD1-CB 4.11Å; I162-P171 HydrophobicContact CG1-CB 3.52Å; I162-P171 HydrophobicContact CG1-CG 4.45Å; I162-Y172 HydrophobicContact CD1-CD1 3.74Å; I162-Y172 HydrophobicContact CD1-CE1 3.69Å; I162-Y172 HydrophobicContact CD1-CG 4.31Å; I162-Y172 HydrophobicContact CG1-CD1 4.36Å; I162-Y172 HydrophobicContact CG1-CE1 4.05Å; I162-Y172 HydrophobicContact CG1-CE2 4.34Å; I162-Y172 HydrophobicContact CG2-CE1 4.21Å; I162-R175 VanDerWaalsContact CD1-CZ 3.45Å
163S97.5Very high97.6Very high84 Ų8434.6 Ų34.659%0.58720%0.195SC*.Hα-helixtrans-63-30.9177.177.40000112.9D159 K160D159-S163 WeakPolarHBondContact O-CB 3.36Å; D159-S163 PolarHBondContact O-N 2.92Å; K160-S163 PolarHBondContact O-N 3.28Å; K160-S163 PolarHBondContact O-OG 3.48Å
164L97.2Very high97.7Very high55 Ų5535.5 Ų35.529%0.28820%0.197SC..Hα-helixtrans-83-40.4177.7-67.8169.9000112.9P132 K160 A161 I162P132-L164 WeakPolarHBondContact O-CD1 3.41Å; K160-L164 HydrophobicContact CD-CD1 4.44Å; K160-L164 HydrophobicContact CG-CD1 4.26Å; K160-L164 WeakPolarHBondContact O-CG 3.38Å; K160-L164 PolarHBondContact O-N 3.07Å; K160-L164 VanDerWaalsContact O-N 3.12Å; A161-L164 PolarHBondContact O-N 3.43Å; I162-L164 PolarHBondContact O-N 3.35Å
165N97.1Very high97.8Very high66 Ų6637.9 Ų37.935%0.35321%0.206SC..  trans-146.295.8177.3-176.92.8000110.8A161 I162 D167 S168A161-N165 PolarHBondContact O-N 2.97Å; I162-N165 CarbonylContact O-C 3.27Å; I162-N165 PolarHBondContact O-N 3.48Å; N165-D167 PolarHBondContact O-N 2.94Å; N165-D167 PolarHBondContact OD1-N 3.49Å; N165-D167 VanDerWaalsContact OD1-N 3.11Å; N165-S168 PolarHBondContact O-N 3.46Å
166P97.4Very high97.8Very high67 Ų6736.6 Ų36.644%0.43520%0.2SC..THydrogen-bonded Turntrans-74-10.1-178.230.2-35.8000113.9I162 Y172I162-P166 WeakPolarHBondContact O-CA 3.47Å; I162-P166 VanDerWaalsContact O-N 3.16Å; P166-Y172 WeakPolarHBondContact O-CE2 3.43Å; P166-Y172 PolarHBondContact O-OH 2.83Å
167D97.1Very high97.9Very high126 Ų12637.1 Ų37.167%0.67420%0.198SC*.THydrogen-bonded Turntrans-92.2-1.9179.2-63.3-31.4000112.5N165N165-D167 PolarHBondContact O-N 2.94Å; N165-D167 PolarHBondContact OD1-N 3.49Å; N165-D167 VanDerWaalsContact OD1-N 3.11Å
168S97.3Very high97.9Very high29 Ų2937.1 Ų37.120%0.20320%0.198CC..  trans-79.4123176.2-174.20000110.9N165 Q170 P171 Y172N165-S168 PolarHBondContact O-N 3.46Å; S168-Q170 PolarHBondContact O-N 2.81Å; S168-P171 WeakPolarHBondContact O-CD 3.33Å; S168-P171 VanDerWaalsContact OG-CD 3.23Å; S168-P171 WeakPolarHBondContact OG-CD 3.45Å; S168-Y172 WeakPolarHBondContact O-CD2 3.44Å; S168-Y172 WeakPolarHBondContact O-CE2 3.23Å
169A98.1Very high97.9Very high9 Ų937.6 Ų37.67%0.07420%0.2CC..Hα-helixtrans-69.3-30.6179.700000113.9Y172 K173 S195 L198 D199A169-Y172 PolarHBondContact O-N 2.99Å; A169-K173 PolarHBondContact O-N 3.04Å; A169-K173 VanDerWaalsContact O-N 3.08Å; A169-S195 PolarHBondContact O-OG 3.43Å; A169-L198 HydrophobicContact CB-CB 3.63Å; A169-L198 HydrophobicContact CB-CD1 4.46Å; A169-D199 HydrophobicContact CB-CB 3.5Å
170Q98.2Very high97.8Very high49 Ų4936.8 Ų36.823%0.22919%0.193CC..Hα-helixtrans-65.3-46.4-170.8-69.2-68.7-43.200113.6A139 S168 Y172 K173 W174A139-Q170 HydrophobicContact CB-CB 4.47Å; S168-Q170 PolarHBondContact O-N 2.81Å; Q170-Y172 PolarHBondContact O-N 2.97Å; Q170-K173 WeakPolarHBondContact O-CB 3.41Å; Q170-K173 PolarHBondContact O-N 3.2Å; Q170-K173 VanDerWaalsContact O-N 3.12Å; Q170-W174 PolarHBondContact O-N 3.34Å; Q170-W174 VanDerWaalsContact OE1-NE1 3.14Å
171P98.5Very high97.8Very high0 Ų037.2 Ų37.20%020%0.196CC..Hα-helixtrans-54.9-45.3174.3-28.635.4000113.9A139 C158 A161 I162 S168 K173 W174 R175A139-P171 HydrophobicContact CB-CG 3.92Å; C158-P171 HydrophobicContact CB-CB 4.46Å; C158-P171 PolarHBondContact SG-O 2.86Å; A161-P171 HydrophobicContact CB-CB 3.9Å; A161-P171 HydrophobicContact CB-CG 3.53Å; I162-P171 HydrophobicContact CD1-CB 4.11Å; I162-P171 HydrophobicContact CG1-CB 3.52Å; I162-P171 HydrophobicContact CG1-CG 4.45Å; S168-P171 WeakPolarHBondContact O-CD 3.33Å; S168-P171 VanDerWaalsContact OG-CD 3.23Å; S168-P171 WeakPolarHBondContact OG-CD 3.45Å; P171-K173 VanDerWaalsContact C-N 3.31Å; P171-K173 PolarHBondContact O-N 3.28Å; P171-W174 PolarHBondContact O-N 3.04Å; P171-R175 VanDerWaalsContact O-CB 3.31Å; P171-R175 WeakPolarHBondContact O-CB 3.49Å; P171-R175 PolarHBondContact O-N 3.26Å
172Y98.7Very high97.6Very high30 Ų3038.2 Ų38.212%0.11820%0.202CC..Hα-helixtrans-63.1-40.2176.1-59.8-78.8000111.2I162 P166 S168 A169 Q170 W174 R175 G176 D191 T194 L198I162-Y172 HydrophobicContact CD1-CD1 3.74Å; I162-Y172 HydrophobicContact CD1-CE1 3.69Å; I162-Y172 HydrophobicContact CD1-CG 4.31Å; I162-Y172 HydrophobicContact CG1-CD1 4.36Å; I162-Y172 HydrophobicContact CG1-CE1 4.05Å; I162-Y172 HydrophobicContact CG1-CE2 4.34Å; I162-Y172 HydrophobicContact CG2-CE1 4.21Å; P166-Y172 WeakPolarHBondContact O-CE2 3.43Å; P166-Y172 PolarHBondContact O-OH 2.83Å; S168-Y172 WeakPolarHBondContact O-CD2 3.44Å; S168-Y172 WeakPolarHBondContact O-CE2 3.23Å; A169-Y172 PolarHBondContact O-N 2.99Å; Q170-Y172 PolarHBondContact O-N 2.97Å; Y172-W174 PolarHBondContact O-N 3.39Å; Y172-R175 PolarHBondContact O-N 3.46Å; Y172-G176 PolarHBondContact O-N 3.15Å; Y172-D191 WeakPolarHBondContact CB-O 3.42Å; Y172-D191 WeakPolarHBondContact O-CB 3.44Å; Y172-T194 HydrophobicContact CD1-CG2 3.86Å; Y172-T194 HydrophobicContact CD2-CG2 4.04Å; Y172-T194 HydrophobicContact CE1-CG2 3.95Å; Y172-T194 HydrophobicContact CE2-CG2 4.13Å; Y172-T194 HydrophobicContact CG-CG2 3.9Å; Y172-L198 HydrophobicContact CD2-CD1 3.83Å; Y172-L198 HydrophobicContact CE2-CD1 3.77Å
173K98.6Very high97.4Very high13 Ų1338 Ų386%0.05721%0.206CC..Hα-helixtrans-55.9-54175.9-162.2171.274.91530111.7A169 Q170 P171 G176 F177 L192 S195 D203 A204A169-K173 PolarHBondContact O-N 3.04Å; A169-K173 VanDerWaalsContact O-N 3.08Å; Q170-K173 WeakPolarHBondContact O-CB 3.41Å; Q170-K173 PolarHBondContact O-N 3.2Å; Q170-K173 VanDerWaalsContact O-N 3.12Å; P171-K173 VanDerWaalsContact C-N 3.31Å; P171-K173 PolarHBondContact O-N 3.28Å; K173-G176 PolarHBondContact O-N 3.48Å; K173-F177 HydrophobicContact CD-CE2 4.1Å; K173-F177 HydrophobicContact CG-CD2 3.93Å; K173-F177 HydrophobicContact CG-CE2 3.67Å; K173-F177 WeakPolarHBondContact O-CD2 3.4Å; K173-F177 PolarHBondContact O-N 3.4Å; K173-L192 HydrophobicContact CG-CD2 4.39Å; K173-S195 VanDerWaalsContact CB-OG 3.3Å; K173-S195 WeakPolarHBondContact CB-OG 3.48Å; K173-D203 IonicContact NZ-OD1 2.65Å; K173-D203 PolarHBondContact NZ-OD1 3.39Å; K173-D203 IonicContact NZ-OD2 2.71Å; K173-D203 PolarHBondContact NZ-OD2 3.43Å; K173-A204 HydrophobicContact CD-CB 4.11Å; K173-A204 HydrophobicContact CG-CB 4.17Å
174W98.6Very high97.3Very high37 Ų3737.1 Ų37.114%0.1419%0.194CC..Hα-helixtrans-70.3-35.2-175.8-61.5121.7000112.4A142 V146 Q170 P171 Y172 G176 F177 A178A142-W174 HydrophobicContact CB-CB 4.3Å; V146-W174 HydrophobicContact CB-CE3 4.21Å; V146-W174 HydrophobicContact CG1-CE3 4.22Å; V146-W174 HydrophobicContact CG1-CZ3 4.44Å; V146-W174 HydrophobicContact CG2-CB 4.31Å; V146-W174 HydrophobicContact CG2-CE3 4.19Å; Q170-W174 PolarHBondContact O-N 3.34Å; Q170-W174 VanDerWaalsContact OE1-NE1 3.14Å; P171-W174 PolarHBondContact O-N 3.04Å; Y172-W174 PolarHBondContact O-N 3.39Å; W174-G176 VanDerWaalsContact C-N 3.35Å; W174-F177 HydrophobicContact CE3-CD2 4.04Å; W174-F177 HydrophobicContact CZ3-CD2 4.17Å; W174-F177 PolarHBondContact O-N 2.94Å; W174-A178 WeakPolarHBondContact O-CB 3.07Å; W174-A178 PolarHBondContact O-N 2.92Å
175R98.4Very high97.2Very high50 Ų5035.3 Ų35.319%0.18918%0.184CC..Hα-helixtrans-65.5-39.6172.8-158.7172.467.1-177.6-3.3111.6I155 C158 D159 I162 P171 Y172 A178 N179 D191I155-R175 HydrophobicContact CG1-CG 4.21Å; I155-R175 HydrophobicContact CG2-CG 4.41Å; C158-R175 HydrophobicContact CB-CB 3.65Å; C158-R175 HydrophobicContact CB-CG 4.02Å; C158-R175 PolarHBondContact SG-N 3.44Å; C158-R175 VanDerWaalsContact SG-N 3.43Å; D159-R175 VanDerWaalsContact OD1-CD 3.22Å; D159-R175 WeakPolarHBondContact OD1-CD 3.5Å; D159-R175 IonicContact OD1-CZ 3.45Å; D159-R175 IonicContact OD1-NE 3.6Å; D159-R175 IonicContact OD1-NH1 3.95Å; D159-R175 PolarHBondContact OD1-NH1 3.2Å; I162-R175 VanDerWaalsContact CD1-CZ 3.45Å; P171-R175 VanDerWaalsContact O-CB 3.31Å; P171-R175 WeakPolarHBondContact O-CB 3.49Å; P171-R175 PolarHBondContact O-N 3.26Å; Y172-R175 PolarHBondContact O-N 3.46Å; R175-A178 PolarHBondContact O-N 2.63Å; R175-N179 WeakPolarHBondContact O-CB 3.46Å; R175-N179 PolarHBondContact O-N 2.68Å; R175-N179 PolarHBondContact O-ND2 3.23Å; R175-D191 WeakPolarHBondContact CB-OD2 3.3Å; R175-D191 WeakPolarHBondContact CG-OD2 3.47Å; R175-D191 IonicContact CZ-OD1 2.69Å; R175-D191 IonicContact CZ-OD2 3.64Å; R175-D191 IonicContact NE-OD1 3.42Å; R175-D191 PolarHBondContact NE-OD1 3.25Å; R175-D191 IonicContact NE-OD2 2.79Å; R175-D191 PolarHBondContact NE-OD2 3.17Å; R175-D191 IonicContact NH2-OD1 3.47Å; R175-D191 PolarHBondContact NH2-OD1 2.68Å; R175-D191 IonicContact NH2-OD2 3.63Å
176G98.4Very high97.2Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-60.8-48.1173.900000112.6Y172 K173 W174 A178 N179 K180 A188Y172-G176 PolarHBondContact O-N 3.15Å; K173-G176 PolarHBondContact O-N 3.48Å; W174-G176 VanDerWaalsContact C-N 3.35Å; G176-A178 PolarHBondContact O-N 3Å; G176-N179 PolarHBondContact O-N 3.11Å; G176-K180 WeakPolarHBondContact O-CB 3.38Å; G176-K180 PolarHBondContact O-N 3.29Å; G176-A188 WeakPolarHBondContact O-CB 3.33Å
177F98.3Very high97.1Very high35 Ų3533 Ų3315%0.15417%0.169CC..Hα-helixtrans-61.5-42.4172.9-79.4-63.5000112.7V146 K173 W174 K180 M181 L192 D203 A207V146-F177 HydrophobicContact CG1-CB 3.98Å; K173-F177 HydrophobicContact CD-CE2 4.1Å; K173-F177 HydrophobicContact CG-CD2 3.93Å; K173-F177 HydrophobicContact CG-CE2 3.67Å; K173-F177 WeakPolarHBondContact O-CD2 3.4Å; K173-F177 PolarHBondContact O-N 3.4Å; W174-F177 HydrophobicContact CE3-CD2 4.04Å; W174-F177 HydrophobicContact CZ3-CD2 4.17Å; W174-F177 PolarHBondContact O-N 2.94Å; F177-K180 WeakPolarHBondContact O-CB 3.47Å; F177-K180 PolarHBondContact O-N 2.58Å; F177-M181 VanDerWaalsContact O-CG 3.3Å; F177-M181 WeakPolarHBondContact O-CG 3.36Å; F177-M181 PolarHBondContact O-N 3.01Å; F177-M181 VanDerWaalsContact O-N 3.12Å; F177-L192 HydrophobicContact CD2-CD2 4.39Å; F177-L192 HydrophobicContact CE2-CD2 4.35Å; F177-D203 HydrophobicContact CZ-CB 4.21Å; F177-A207 HydrophobicContact CD1-CB 4.44Å; F177-A207 HydrophobicContact CE1-CB 3.65Å; F177-A207 HydrophobicContact CZ-CB 4.08Å
178A97.9Very high97.2Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-64.5-42.7177.700000112.3V146 P151 A154 I155 W174 R175 G176 K180 M181 I182V146-A178 HydrophobicContact CG2-CB 4.28Å; P151-A178 HydrophobicContact CB-CB 3.97Å; P151-A178 WeakPolarHBondContact CB-O 3.39Å; A154-A178 HydrophobicContact CB-CB 3.91Å; I155-A178 HydrophobicContact CD1-CB 4.26Å; I155-A178 HydrophobicContact CG1-CB 3.72Å; W174-A178 WeakPolarHBondContact O-CB 3.07Å; W174-A178 PolarHBondContact O-N 2.92Å; R175-A178 PolarHBondContact O-N 2.63Å; G176-A178 PolarHBondContact O-N 3Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 2.96Å; A178-M181 WeakPolarHBondContact O-CB 3.37Å; A178-M181 PolarHBondContact O-N 2.93Å; A178-I182 PolarHBondContact O-N 3.34Å
179N97.6Very high97.2Very high11 Ų1127.1 Ų27.16%0.05913%0.133CC..Hα-helixtrans-62.6-39.3174.3-84.4-51.4000111.8R175 G176 M181 I182 G183 N184 A187 A188 D191R175-N179 WeakPolarHBondContact O-CB 3.46Å; R175-N179 PolarHBondContact O-N 2.68Å; R175-N179 PolarHBondContact O-ND2 3.23Å; G176-N179 PolarHBondContact O-N 3.11Å; N179-M181 VanDerWaalsContact C-N 3.28Å; N179-M181 PolarHBondContact O-N 3.48Å; N179-I182 CarbonylContact O-C 3.36Å; N179-I182 VanDerWaalsContact O-CG1 3.32Å; N179-I182 WeakPolarHBondContact O-CG1 3.25Å; N179-I182 PolarHBondContact O-N 3.05Å; N179-G183 PolarHBondContact O-N 3.39Å; N179-N184 HydrophobicContact CB-CB 4.15Å; N179-N184 PolarHBondContact O-N 3.05Å; N179-N184 PolarHBondContact OD1-ND2 3.31Å; N179-N184 VanDerWaalsContact OD1-ND2 3.08Å; N179-A187 HydrophobicContact CB-CB 4.31Å; N179-A188 HydrophobicContact CB-CB 3.81Å; N179-D191 PolarHBondContact ND2-OD2 3.27Å
180K96.4Very high97.2Very high53 Ų5332 Ų3223%0.2315%0.154CC..Hα-helixtrans-57.3-42.1173.4-175.3-166.3166.1-173.80111.1G176 F177 A178 I182 G183 W185 A188 E210 I211G176-K180 WeakPolarHBondContact O-CB 3.38Å; G176-K180 PolarHBondContact O-N 3.29Å; F177-K180 WeakPolarHBondContact O-CB 3.47Å; F177-K180 PolarHBondContact O-N 2.58Å; A178-K180 VanDerWaalsContact C-N 3.34Å; A178-K180 PolarHBondContact O-N 2.96Å; K180-I182 VanDerWaalsContact C-N 3.32Å; K180-I182 PolarHBondContact O-N 3.22Å; K180-G183 PolarHBondContact O-N 2.93Å; K180-W185 HydrophobicContact CG-CE3 4.45Å; K180-W185 HydrophobicContact CG-CZ3 3.79Å; K180-A188 HydrophobicContact CB-CB 4.1Å; K180-E210 WeakPolarHBondContact CE-OE2 3.46Å; K180-E210 IonicContact NZ-OE2 2.75Å; K180-E210 PolarHBondContact NZ-OE2 3.18Å; K180-I211 HydrophobicContact CB-CD1 4.07Å; K180-I211 HydrophobicContact CD-CD1 3.97Å; K180-I211 HydrophobicContact CD-CG1 4.27Å; K180-I211 HydrophobicContact CG-CD1 3.86Å; K180-I211 HydrophobicContact CG-CG1 4.06Å
181M95.7Very high97.2Very high43 Ų4330.2 Ų30.221%0.21215%0.146CC..Hα-helixtrans-67.5-29.8-179.3-64.6172.875.700113.5L76 V146 K149 P151 F177 A178 N179L76-M181 HydrophobicContact CD1-CB 4.25Å; L76-M181 HydrophobicContact CD1-CE 3.47Å; L76-M181 VanDerWaalsContact CD1-CE 3.47Å; L76-M181 PolarHBondContact N-O 2.94Å; V146-M181 HydrophobicContact CG1-SD 4.22Å; K149-M181 VanDerWaalsContact CA-CE 3.47Å; K149-M181 HydrophobicContact CB-CE 3.71Å; K149-M181 HydrophobicContact CG-CE 3.81Å; P151-M181 HydrophobicContact CB-CB 4.22Å; P151-M181 HydrophobicContact CG-CB 4.41Å; F177-M181 VanDerWaalsContact O-CG 3.3Å; F177-M181 WeakPolarHBondContact O-CG 3.36Å; F177-M181 PolarHBondContact O-N 3.01Å; F177-M181 VanDerWaalsContact O-N 3.12Å; A178-M181 WeakPolarHBondContact O-CB 3.37Å; A178-M181 PolarHBondContact O-N 2.93Å; N179-M181 VanDerWaalsContact C-N 3.28Å; N179-M181 PolarHBondContact O-N 3.48Å
182I95.2Very high97.2Very high22 Ų2230.2 Ų30.211%0.11315%0.146CC..THydrogen-bonded Turntrans-96.113.5176.662.8170.1000113V75 K78 P151 I155 A178 N179 K180 N184V75-I182 VanDerWaalsContact CG1-O 3.29Å; V75-I182 WeakPolarHBondContact CG1-O 3.47Å; K78-I182 HydrophobicContact CD-CD1 4.49Å; K78-I182 HydrophobicContact CG-CD1 4.49Å; P151-I182 HydrophobicContact CB-CG2 3.65Å; P151-I182 HydrophobicContact CG-CG2 3.34Å; I155-I182 HydrophobicContact CD1-CD1 3.78Å; A178-I182 PolarHBondContact O-N 3.34Å; N179-I182 CarbonylContact O-C 3.36Å; N179-I182 VanDerWaalsContact O-CG1 3.32Å; N179-I182 WeakPolarHBondContact O-CG1 3.25Å; N179-I182 PolarHBondContact O-N 3.05Å; K180-I182 VanDerWaalsContact C-N 3.32Å; K180-I182 PolarHBondContact O-N 3.22Å; I182-N184 HydrophobicContact CD1-CB 4.25Å; I182-N184 HydrophobicContact CG1-CB 4.05Å; I182-N184 PolarHBondContact O-N 2.93Å
183G94Very high97.2Very high20 Ų2033 Ų3321%0.20616%0.16CC..THydrogen-bonded Turntrans69.813.717600000114.3N179 K180 W185N179-G183 PolarHBondContact O-N 3.39Å; K180-G183 PolarHBondContact O-N 2.93Å; G183-W185 PolarHBondContact O-N 3.49Å; G183-W185 PolarHBondContact O-NE1 3.5Å
184N94.8Very high97.1Very high65 Ų6535 Ų3535%0.34817%0.173SC..  trans-83.568.5177.1-169.68.5000109.9N179 I182 E186 A187 A188N179-N184 HydrophobicContact CB-CB 4.15Å; N179-N184 PolarHBondContact O-N 3.05Å; N179-N184 PolarHBondContact OD1-ND2 3.31Å; N179-N184 VanDerWaalsContact OD1-ND2 3.08Å; I182-N184 HydrophobicContact CD1-CB 4.25Å; I182-N184 HydrophobicContact CG1-CB 4.05Å; I182-N184 PolarHBondContact O-N 2.93Å; N184-E186 VanDerWaalsContact C-N 3.35Å; N184-E186 PolarHBondContact O-N 3.41Å; N184-A187 VanDerWaalsContact ND2-CB 3.27Å; N184-A187 WeakPolarHBondContact ND2-CB 3.44Å; N184-A187 PolarHBondContact O-N 3.08Å; N184-A188 WeakPolarHBondContact O-CB 3.36Å; N184-A188 PolarHBondContact O-N 2.69Å
185W95.7Very high97.1Very high17 Ų1733.2 Ų33.26%0.06417%0.167CC..Hα-helixtrans-61.8-36.9-167.8-51.6109.7000113.6F71 D73 V75 K180 G183 Y189 I211 K214 I218F71-W185 AromaticContact CD2-CD1 3.68Å; F71-W185 AromaticContact CD2-NE1 3.33Å; F71-W185 VanDerWaalsContact CD2-NE1 3.33Å; F71-W185 AromaticContact CE2-CD1 3.68Å; F71-W185 AromaticContact CE2-NE1 3.84Å; F71-W185 AromaticContact CG-NE1 3.91Å; D73-W185 HydrophobicContact CB-CH2 4.08Å; D73-W185 HydrophobicContact CB-CZ2 3.89Å; V75-W185 HydrophobicContact CG2-CZ2 4.05Å; K180-W185 HydrophobicContact CG-CE3 4.45Å; K180-W185 HydrophobicContact CG-CZ3 3.79Å; G183-W185 PolarHBondContact O-N 3.49Å; G183-W185 PolarHBondContact O-NE1 3.5Å; W185-Y189 WeakPolarHBondContact O-CB 3.35Å; W185-Y189 PolarHBondContact O-N 3.21Å; W185-I211 HydrophobicContact CB-CG2 4.3Å; W185-I211 HydrophobicContact CE3-CG1 4.17Å; W185-I211 HydrophobicContact CE3-CG2 4.38Å; W185-I211 HydrophobicContact CZ3-CG1 4.44Å; W185-I211 WeakPolarHBondContact O-CG2 3.48Å; W185-K214 HydrophobicContact CB-CB 4.27Å; W185-K214 HydrophobicContact CD2-CB 4.22Å; W185-K214 HydrophobicContact CD2-CD 3.62Å; W185-K214 HydrophobicContact CE3-CD 3.7Å; W185-K214 HydrophobicContact CG-CB 4.02Å; W185-K214 HydrophobicContact CG-CD 4.29Å; W185-K214 HydrophobicContact CH2-CD 3.95Å; W185-K214 HydrophobicContact CZ2-CD 3.86Å; W185-K214 HydrophobicContact CZ3-CD 3.85Å; W185-I218 HydrophobicContact CB-CD1 3.72Å; W185-I218 HydrophobicContact CG-CD1 4.04Å
186E95.6Very high97.1Very high62 Ų6232.3 Ų32.329%0.2917%0.165SC..Hα-helixtrans-64.7-48.9177.9-66-175.8114.300111.7N184 Y189 Q190 I218 N222N184-E186 VanDerWaalsContact C-N 3.35Å; N184-E186 PolarHBondContact O-N 3.41Å; E186-Y189 PolarHBondContact O-N 3.12Å; E186-Q190 WeakPolarHBondContact O-CG 3.4Å; E186-Q190 PolarHBondContact O-N 2.92Å; E186-Q190 VanDerWaalsContact O-N 3.14Å; E186-I218 VanDerWaalsContact CD-CG2 3.41Å; E186-I218 HydrophobicContact CG-CB 4.27Å; E186-I218 HydrophobicContact CG-CD1 4.37Å; E186-I218 HydrophobicContact CG-CG2 3.73Å; E186-N222 PolarHBondContact OE1-ND2 3.49Å
187A96.6Very high97.1Very high22 Ų2241.2 Ų41.218%0.18220%0.204CC..Hα-helixtrans-66.2-40.2177.300000111.7N179 N184 Y189 Q190 D191N179-A187 HydrophobicContact CB-CB 4.31Å; N184-A187 VanDerWaalsContact ND2-CB 3.27Å; N184-A187 WeakPolarHBondContact ND2-CB 3.44Å; N184-A187 PolarHBondContact O-N 3.08Å; A187-Y189 VanDerWaalsContact C-N 3.34Å; A187-Y189 PolarHBondContact O-N 3.08Å; A187-Q190 PolarHBondContact O-N 2.86Å; A187-D191 WeakPolarHBondContact O-CB 3.35Å; A187-D191 PolarHBondContact O-N 3.45Å
188A98Very high97Very high0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-58.9-45.6176.900000111.9G176 N179 K180 N184 L192 I211G176-A188 WeakPolarHBondContact O-CB 3.33Å; N179-A188 HydrophobicContact CB-CB 3.81Å; K180-A188 HydrophobicContact CB-CB 4.1Å; N184-A188 WeakPolarHBondContact O-CB 3.36Å; N184-A188 PolarHBondContact O-N 2.69Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 VanDerWaalsContact O-CG 3.28Å; A188-L192 WeakPolarHBondContact O-CG 3.38Å; A188-L192 PolarHBondContact O-N 3.11Å; A188-I211 HydrophobicContact CB-CD1 3.91Å
189Y97.9Very high97Very high31 Ų3147.4 Ų47.412%0.12224%0.239CC..Hα-helixtrans-62-49.2178.1-175.2-101.1000111.8W185 E186 A187 D191 L192 Q193 I208 I211 E212 H215W185-Y189 WeakPolarHBondContact O-CB 3.35Å; W185-Y189 PolarHBondContact O-N 3.21Å; E186-Y189 PolarHBondContact O-N 3.12Å; A187-Y189 VanDerWaalsContact C-N 3.34Å; A187-Y189 PolarHBondContact O-N 3.08Å; Y189-D191 PolarHBondContact O-N 3.46Å; Y189-L192 PolarHBondContact O-N 3.44Å; Y189-Q193 HydrophobicContact CD1-CG 4.29Å; Y189-Q193 HydrophobicContact CE1-CG 4.04Å; Y189-Q193 VanDerWaalsContact CE1-NE2 3.31Å; Y189-Q193 VanDerWaalsContact CE1-OE1 3.28Å; Y189-Q193 HydrophobicContact CE2-CG 4.49Å; Y189-Q193 WeakPolarHBondContact O-CB 3.45Å; Y189-Q193 WeakPolarHBondContact O-CG 3.19Å; Y189-Q193 PolarHBondContact O-N 2.98Å; Y189-Q193 PolarHBondContact OH-NE2 3.24Å; Y189-I208 HydrophobicContact CD2-CG2 4.24Å; Y189-I208 HydrophobicContact CE2-CG2 3.8Å; Y189-I211 HydrophobicContact CD2-CG2 4.31Å; Y189-E212 HydrophobicContact CD2-CB 4.47Å; Y189-E212 HydrophobicContact CE2-CB 3.91Å; Y189-E212 HydrophobicContact CE2-CG 4.01Å; Y189-H215 AromaticContact CD1-CD2 3.23Å; Y189-H215 WeakPolarHBondContact CD1-CD2 3.44Å; Y189-H215 AromaticContact CD1-CG 3.74Å; Y189-H215 AromaticContact CD1-NE2 3.47Å; Y189-H215 WeakPolarHBondContact CD1-NE2 3.45Å; Y189-H215 HydrophobicContact CD2-CB 4.23Å; Y189-H215 AromaticContact CE1-CD2 3.41Å; Y189-H215 VanDerWaalsContact CE1-CD2 3.41Å; Y189-H215 WeakPolarHBondContact CE1-CD2 3.39Å; Y189-H215 AromaticContact CE1-NE2 3.67Å; Y189-H215 HydrophobicContact CG-CB 4.03Å; Y189-H215 AromaticContact CG-CD2 3.64Å; Y189-H215 AromaticContact CG-CG 3.72Å; Y189-H215 AromaticContact CZ-CD2 3.97Å
190Q97.7Very high97Very high113 Ų11353 Ų5353%0.52826%0.259SS..Hα-helixtrans-61.5-43.6-179.8-70.5175.46.500112.6E186 A187 T194E186-Q190 WeakPolarHBondContact O-CG 3.4Å; E186-Q190 PolarHBondContact O-N 2.92Å; E186-Q190 VanDerWaalsContact O-N 3.14Å; A187-Q190 PolarHBondContact O-N 2.86Å; Q190-T194 WeakPolarHBondContact O-CB 3.45Å; Q190-T194 PolarHBondContact O-N 2.85Å; Q190-T194 PolarHBondContact O-OG1 3.31Å
191D98.5Very high97Very high10 Ų1051.7 Ų51.75%0.05326%0.256CS..Hα-helixtrans-66-46.4179.6-83.9-21.1000111.9Y172 R175 N179 A187 Y189 Q193 T194 S195Y172-D191 WeakPolarHBondContact CB-O 3.42Å; Y172-D191 WeakPolarHBondContact O-CB 3.44Å; R175-D191 WeakPolarHBondContact CB-OD2 3.3Å; R175-D191 WeakPolarHBondContact CG-OD2 3.47Å; R175-D191 IonicContact CZ-OD1 2.69Å; R175-D191 IonicContact CZ-OD2 3.64Å; R175-D191 IonicContact NE-OD1 3.42Å; R175-D191 PolarHBondContact NE-OD1 3.25Å; R175-D191 IonicContact NE-OD2 2.79Å; R175-D191 PolarHBondContact NE-OD2 3.17Å; R175-D191 IonicContact NH2-OD1 3.47Å; R175-D191 PolarHBondContact NH2-OD1 2.68Å; R175-D191 IonicContact NH2-OD2 3.63Å; N179-D191 PolarHBondContact ND2-OD2 3.27Å; A187-D191 WeakPolarHBondContact O-CB 3.35Å; A187-D191 PolarHBondContact O-N 3.45Å; Y189-D191 PolarHBondContact O-N 3.46Å; D191-Q193 PolarHBondContact O-N 2.91Å; D191-T194 PolarHBondContact O-N 3.28Å; D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 2.81Å
192L98.4Very high97.1Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-66.1-38.5177.9-68.6169.9000111.8K173 F177 A188 Y189 T194 S195 L196 A204 A207 I208 I211K173-L192 HydrophobicContact CG-CD2 4.39Å; F177-L192 HydrophobicContact CD2-CD2 4.39Å; F177-L192 HydrophobicContact CE2-CD2 4.35Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 VanDerWaalsContact O-CG 3.28Å; A188-L192 WeakPolarHBondContact O-CG 3.38Å; A188-L192 PolarHBondContact O-N 3.11Å; Y189-L192 PolarHBondContact O-N 3.44Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.71Å; L192-S195 WeakPolarHBondContact O-CB 3.4Å; L192-S195 PolarHBondContact O-N 3.14Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.13Å; L192-A204 HydrophobicContact CD2-CB 4.04Å; L192-A207 HydrophobicContact CD1-CB 3.67Å; L192-I208 HydrophobicContact CB-CD1 3.85Å; L192-I208 HydrophobicContact CB-CG1 3.55Å; L192-I208 HydrophobicContact CD1-CG1 4.19Å; L192-I211 HydrophobicContact CD1-CD1 3.42Å; L192-I211 VanDerWaalsContact CD1-CD1 3.42Å
193Q98.1Very high97.2Very high90 Ų9056.5 Ų56.542%0.42128%0.283SS..Hα-helixtrans-60.3-44172.9-79.9-164.2-37.800111.8Y189 D191 S195 L196 K197 I208Y189-Q193 HydrophobicContact CD1-CG 4.29Å; Y189-Q193 HydrophobicContact CE1-CG 4.04Å; Y189-Q193 VanDerWaalsContact CE1-NE2 3.31Å; Y189-Q193 VanDerWaalsContact CE1-OE1 3.28Å; Y189-Q193 HydrophobicContact CE2-CG 4.49Å; Y189-Q193 WeakPolarHBondContact O-CB 3.45Å; Y189-Q193 WeakPolarHBondContact O-CG 3.19Å; Y189-Q193 PolarHBondContact O-N 2.98Å; Y189-Q193 PolarHBondContact OH-NE2 3.24Å; D191-Q193 PolarHBondContact O-N 2.91Å; Q193-S195 VanDerWaalsContact C-N 3.33Å; Q193-L196 PolarHBondContact O-N 3.12Å; Q193-K197 WeakPolarHBondContact O-CB 3.44Å; Q193-K197 PolarHBondContact O-N 2.89Å; Q193-I208 HydrophobicContact CB-CD1 4.43Å; Q193-I208 HydrophobicContact CG-CD1 3.81Å
194T98.1Very high97.4Very high53 Ų5355.5 Ų55.533%0.32527%0.273SS..Hα-helixtrans-62.8-42.9176.9-57.20000110.7Y172 Q190 D191 L192 K197 L198Y172-T194 HydrophobicContact CD1-CG2 3.86Å; Y172-T194 HydrophobicContact CD2-CG2 4.04Å; Y172-T194 HydrophobicContact CE1-CG2 3.95Å; Y172-T194 HydrophobicContact CE2-CG2 4.13Å; Y172-T194 HydrophobicContact CG-CG2 3.9Å; Q190-T194 WeakPolarHBondContact O-CB 3.45Å; Q190-T194 PolarHBondContact O-N 2.85Å; Q190-T194 PolarHBondContact O-OG1 3.31Å; D191-T194 PolarHBondContact O-N 3.28Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.71Å; T194-K197 PolarHBondContact O-N 3.15Å; T194-L198 HydrophobicContact CG2-CD1 4.28Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 3.4Å
195S98.2Very high97.5Very high1 Ų154.4 Ų54.41%0.00727%0.267CS..Hα-helixtrans-58.7-52.1175.8-170.10000112A169 K173 D191 L192 Q193 K197 L198 D199A169-S195 PolarHBondContact O-OG 3.43Å; K173-S195 VanDerWaalsContact CB-OG 3.3Å; K173-S195 WeakPolarHBondContact CB-OG 3.48Å; D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 2.81Å; L192-S195 WeakPolarHBondContact O-CB 3.4Å; L192-S195 PolarHBondContact O-N 3.14Å; Q193-S195 VanDerWaalsContact C-N 3.33Å; S195-K197 VanDerWaalsContact C-N 3.26Å; S195-K197 PolarHBondContact O-N 3.2Å; S195-L198 PolarHBondContact O-N 2.85Å; S195-D199 CarbonylContact O-C 3.59Å; S195-D199 PolarHBondContact O-N 3.11Å; S195-D199 VanDerWaalsContact O-O 3.06Å
196L97.7Very high97.6Very high31 Ų3159.2 Ų59.216%0.16229%0.29CS..Hα-helixtrans-63.3-29.5179.8-72.3-178.3000113.8L192 Q193 L198 Y200 T201 A204 N205 I208L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.13Å; Q193-L196 PolarHBondContact O-N 3.12Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-Y200 HydrophobicContact CD2-CD2 3.84Å; L196-Y200 HydrophobicContact CD2-CE2 4.24Å; L196-Y200 HydrophobicContact CD2-CG 4.38Å; L196-T201 WeakPolarHBondContact CD2-O 3.41Å; L196-A204 HydrophobicContact CD2-CB 3.65Å; L196-A204 HydrophobicContact CG-CB 4.02Å; L196-N205 HydrophobicContact CD1-CB 4.03Å; L196-N205 HydrophobicContact CD2-CB 4.2Å; L196-I208 HydrophobicContact CD1-CD1 3.33Å; L196-I208 HydrophobicContact CD1-CG1 4.29Å; L196-I208 HydrophobicContact CG-CD1 4.24Å
197K97.8Very high97.7Very high186 Ų18656.4 Ų56.481%0.80928%0.278SS*.Hα-helixtrans-69.5-33.6174.7-175-178.5177.1-174.80111.9Q193 T194 S195Q193-K197 WeakPolarHBondContact O-CB 3.44Å; Q193-K197 PolarHBondContact O-N 2.89Å; T194-K197 PolarHBondContact O-N 3.15Å; S195-K197 VanDerWaalsContact C-N 3.26Å; S195-K197 PolarHBondContact O-N 3.2Å
198L97.6Very high97.8Very high77 Ų7756.1 Ų56.140%0.40327%0.273SS..Hα-helixtrans-84-46.7179.5-68.9171.3000111.9A169 Y172 T194 S195 L196A169-L198 HydrophobicContact CB-CB 3.63Å; A169-L198 HydrophobicContact CB-CD1 4.46Å; Y172-L198 HydrophobicContact CD2-CD1 3.83Å; Y172-L198 HydrophobicContact CE2-CD1 3.77Å; T194-L198 HydrophobicContact CG2-CD1 4.28Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 3.4Å; S195-L198 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.34Å
199D96.9Very high97.7Very high89 Ų8962.3 Ų62.348%0.47630%0.3SS..SBendtrans-151116.4177.8-172.221000110.3A169 S195 T201A169-D199 HydrophobicContact CB-CB 3.5Å; S195-D199 CarbonylContact O-C 3.59Å; S195-D199 PolarHBondContact O-N 3.11Å; S195-D199 VanDerWaalsContact O-O 3.06Å; D199-T201 PolarHBondContact O-N 3.01Å
200Y97.6Very high97.5Very high127 Ų12765.9 Ų65.950%0.49832%0.317SS..  trans-71.8130.6-176.8179.6-89.5000110.8L196 D202 N205L196-Y200 HydrophobicContact CD2-CD2 3.84Å; L196-Y200 HydrophobicContact CD2-CE2 4.24Å; L196-Y200 HydrophobicContact CD2-CG 4.38Å; Y200-D202 WeakPolarHBondContact CE1-OD1 3.27Å; Y200-N205 HydrophobicContact CE2-CB 3.89Å; Y200-N205 PolarHBondContact OH-ND2 2.99Å
201T97.3Very high97.4Very high26 Ų2660.5 Ų60.516%0.1629%0.292CS..  trans-138.1138.2174.351.20000110.2L196 D199 D203 A204 N205L196-T201 WeakPolarHBondContact CD2-O 3.41Å; D199-T201 PolarHBondContact O-N 3.01Å; T201-D203 VanDerWaalsContact C-N 3.31Å; T201-D203 WeakPolarHBondContact CB-OD1 3.17Å; T201-D203 PolarHBondContact O-N 3.12Å; T201-D203 PolarHBondContact OG1-OD1 3.24Å; T201-D203 VanDerWaalsContact OG1-OD1 3.11Å; T201-A204 PolarHBondContact O-N 3.21Å; T201-A204 VanDerWaalsContact OG1-CB 3.31Å; T201-A204 WeakPolarHBondContact OG1-CB 3.35Å; T201-N205 PolarHBondContact O-N 3.29Å; T201-N205 VanDerWaalsContact O-N 3.07Å
202D97.7Very high97.2Very high107 Ų10764.5 Ų64.557%0.57231%0.311SS*.Hα-helixtrans-61.1-40.3-176.1-69.5-34.8000111.7Y200 A204 N205 E206Y200-D202 WeakPolarHBondContact CE1-OD1 3.27Å; D202-A204 PolarHBondContact O-N 3.24Å; D202-N205 PolarHBondContact O-N 2.89Å; D202-E206 WeakPolarHBondContact O-CG 3.31Å; D202-E206 PolarHBondContact O-N 2.82Å
203D97.3Very high97.1Very high59 Ų5968.4 Ų68.432%0.31634%0.336SS..Hα-helixtrans-63-42.3179.663.9-23.8000112.5K173 F177 T201 A207K173-D203 IonicContact NZ-OD1 2.65Å; K173-D203 PolarHBondContact NZ-OD1 3.39Å; K173-D203 IonicContact NZ-OD2 2.71Å; K173-D203 PolarHBondContact NZ-OD2 3.43Å; F177-D203 HydrophobicContact CZ-CB 4.21Å; T201-D203 VanDerWaalsContact C-N 3.31Å; T201-D203 WeakPolarHBondContact CB-OD1 3.17Å; T201-D203 PolarHBondContact O-N 3.12Å; T201-D203 PolarHBondContact OG1-OD1 3.24Å; T201-D203 VanDerWaalsContact OG1-OD1 3.11Å; D203-A207 WeakPolarHBondContact O-CB 3.36Å; D203-A207 PolarHBondContact O-N 3.19Å
204A97.6Very high96.9Very high0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-67.2-38.6174.600000111.9K173 L192 L196 T201 D202 A207 I208K173-A204 HydrophobicContact CD-CB 4.11Å; K173-A204 HydrophobicContact CG-CB 4.17Å; L192-A204 HydrophobicContact CD2-CB 4.04Å; L196-A204 HydrophobicContact CD2-CB 3.65Å; L196-A204 HydrophobicContact CG-CB 4.02Å; T201-A204 PolarHBondContact O-N 3.21Å; T201-A204 VanDerWaalsContact OG1-CB 3.31Å; T201-A204 WeakPolarHBondContact OG1-CB 3.35Å; D202-A204 PolarHBondContact O-N 3.24Å; A204-A207 PolarHBondContact O-N 3.3Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 3.01Å
205N97.9Very high96.7Very high41 Ų4164.4 Ų64.422%0.21931%0.313CS..Hα-helixtrans-67.5-39.4178.2-175.254.6000112.4L196 Y200 T201 D202 I208 K209L196-N205 HydrophobicContact CD1-CB 4.03Å; L196-N205 HydrophobicContact CD2-CB 4.2Å; Y200-N205 HydrophobicContact CE2-CB 3.89Å; Y200-N205 PolarHBondContact OH-ND2 2.99Å; T201-N205 PolarHBondContact O-N 3.29Å; T201-N205 VanDerWaalsContact O-N 3.07Å; D202-N205 PolarHBondContact O-N 2.89Å; N205-I208 PolarHBondContact O-N 3.44Å; N205-K209 WeakPolarHBondContact O-CG 3.45Å; N205-K209 PolarHBondContact O-N 2.89Å
206E97.9Very high96.5Very high119 Ų11970.2 Ų70.256%0.55634%0.339SS*.Hα-helixtrans-63.2-44.9172.2-73.5177.9177.900111.5D202 I208 K209 E210D202-E206 WeakPolarHBondContact O-CG 3.31Å; D202-E206 PolarHBondContact O-N 2.82Å; E206-I208 VanDerWaalsContact C-N 3.31Å; E206-I208 PolarHBondContact O-N 3.34Å; E206-K209 WeakPolarHBondContact O-CB 3.36Å; E206-K209 PolarHBondContact O-N 3.31Å; E206-K209 VanDerWaalsContact O-N 3.14Å; E206-E210 PolarHBondContact O-N 2.79Å
207A97.3Very high96.3Very high3 Ų375.6 Ų75.63%0.02536%0.357CS..Hα-helixtrans-60.5-38.3177.400000112.7F177 L192 D203 A204 K209 E210 I211F177-A207 HydrophobicContact CD1-CB 4.44Å; F177-A207 HydrophobicContact CE1-CB 3.65Å; F177-A207 HydrophobicContact CZ-CB 4.08Å; L192-A207 HydrophobicContact CD1-CB 3.67Å; D203-A207 WeakPolarHBondContact O-CB 3.36Å; D203-A207 PolarHBondContact O-N 3.19Å; A204-A207 PolarHBondContact O-N 3.3Å; A207-K209 PolarHBondContact O-N 3.07Å; A207-E210 PolarHBondContact O-N 3.23Å; A207-I211 WeakPolarHBondContact O-CD1 3.49Å; A207-I211 VanDerWaalsContact O-CG1 3.25Å; A207-I211 WeakPolarHBondContact O-CG1 3.45Å; A207-I211 PolarHBondContact O-N 2.75Å; A207-I211 VanDerWaalsContact O-N 3.08Å
208I97.3Very high96Very high15 Ų1567.8 Ų67.88%0.07732%0.324CS..Hα-helixtrans-61-43.5174.9-72.8-175.3000111.5Y189 L192 Q193 L196 A204 N205 E206 E210 I211 E212Y189-I208 HydrophobicContact CD2-CG2 4.24Å; Y189-I208 HydrophobicContact CE2-CG2 3.8Å; L192-I208 HydrophobicContact CB-CD1 3.85Å; L192-I208 HydrophobicContact CB-CG1 3.55Å; L192-I208 HydrophobicContact CD1-CG1 4.19Å; Q193-I208 HydrophobicContact CB-CD1 4.43Å; Q193-I208 HydrophobicContact CG-CD1 3.81Å; L196-I208 HydrophobicContact CD1-CD1 3.33Å; L196-I208 HydrophobicContact CD1-CG1 4.29Å; L196-I208 HydrophobicContact CG-CD1 4.24Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 3.01Å; N205-I208 PolarHBondContact O-N 3.44Å; E206-I208 VanDerWaalsContact C-N 3.31Å; E206-I208 PolarHBondContact O-N 3.34Å; I208-E210 PolarHBondContact O-N 3.27Å; I208-I211 PolarHBondContact O-N 3.38Å; I208-I211 VanDerWaalsContact O-N 3.08Å; I208-E212 VanDerWaalsContact O-CB 3.29Å; I208-E212 WeakPolarHBondContact O-CB 3.31Å; I208-E212 PolarHBondContact O-N 3.43Å
209K96.6Very high95.5Very high130 Ų13069.3 Ų69.357%0.56533%0.327SS*.Hα-helixtrans-59.4-34.1179.8-66.8171.1-173.9171.20112.4N205 E206 A207 P213N205-K209 WeakPolarHBondContact O-CG 3.45Å; N205-K209 PolarHBondContact O-N 2.89Å; E206-K209 WeakPolarHBondContact O-CB 3.36Å; E206-K209 PolarHBondContact O-N 3.31Å; E206-K209 VanDerWaalsContact O-N 3.14Å; A207-K209 PolarHBondContact O-N 3.07Å; K209-P213 WeakPolarHBondContact O-CD 3.33Å
210E94.4Very high95.2Very high106 Ų10670.2 Ų70.250%0.49533%0.328SS..Hα-helixtrans-74.9-36.6176-64.6177.5-178.900112.8K180 E206 A207 I208K180-E210 WeakPolarHBondContact CE-OE2 3.46Å; K180-E210 IonicContact NZ-OE2 2.75Å; K180-E210 PolarHBondContact NZ-OE2 3.18Å; E206-E210 PolarHBondContact O-N 2.79Å; A207-E210 PolarHBondContact O-N 3.23Å; I208-E210 PolarHBondContact O-N 3.27Å
211I95.4Very high94.9Very high0 Ų066 Ų660%031%0.313CS..Hα-helixtrans-83.5-35-175.3-64.7161.8000112K180 W185 A188 Y189 L192 A207 I208 K214 H215K180-I211 HydrophobicContact CB-CD1 4.07Å; K180-I211 HydrophobicContact CD-CD1 3.97Å; K180-I211 HydrophobicContact CD-CG1 4.27Å; K180-I211 HydrophobicContact CG-CD1 3.86Å; K180-I211 HydrophobicContact CG-CG1 4.06Å; W185-I211 HydrophobicContact CB-CG2 4.3Å; W185-I211 HydrophobicContact CE3-CG1 4.17Å; W185-I211 HydrophobicContact CE3-CG2 4.38Å; W185-I211 HydrophobicContact CZ3-CG1 4.44Å; W185-I211 WeakPolarHBondContact O-CG2 3.48Å; A188-I211 HydrophobicContact CB-CD1 3.91Å; Y189-I211 HydrophobicContact CD2-CG2 4.31Å; L192-I211 HydrophobicContact CD1-CD1 3.42Å; L192-I211 VanDerWaalsContact CD1-CD1 3.42Å; A207-I211 WeakPolarHBondContact O-CD1 3.49Å; A207-I211 VanDerWaalsContact O-CG1 3.25Å; A207-I211 WeakPolarHBondContact O-CG1 3.45Å; A207-I211 PolarHBondContact O-N 2.75Å; A207-I211 VanDerWaalsContact O-N 3.08Å; I208-I211 PolarHBondContact O-N 3.38Å; I208-I211 VanDerWaalsContact O-N 3.08Å; I211-K214 WeakPolarHBondContact O-CA 3.46Å; I211-K214 WeakPolarHBondContact O-CB 3.18Å; I211-K214 PolarHBondContact O-N 3.44Å; I211-H215 HydrophobicContact CG2-CB 4.43Å; I211-H215 PolarHBondContact O-N 2.93Å
212E95.1Very high94.5Very high95 Ų9567.8 Ų67.844%0.44432%0.322SS..Hα-helixtrans-48.6-49.5-175.5-174175.8-175.900114.3Y189 I208 K214 H215 K216Y189-E212 HydrophobicContact CD2-CB 4.47Å; Y189-E212 HydrophobicContact CE2-CB 3.91Å; Y189-E212 HydrophobicContact CE2-CG 4.01Å; I208-E212 VanDerWaalsContact O-CB 3.29Å; I208-E212 WeakPolarHBondContact O-CB 3.31Å; I208-E212 PolarHBondContact O-N 3.43Å; E212-K214 VanDerWaalsContact C-N 3.27Å; E212-K214 PolarHBondContact O-N 3.44Å; E212-H215 PolarHBondContact O-N 3.41Å; E212-K216 WeakPolarHBondContact O-CB 3.4Å; E212-K216 PolarHBondContact O-N 3.48Å
213P95.2Very high93.9Very high82 Ų8267.4 Ų67.453%0.53232%0.318SS..Hα-helixtrans-62.5-33.617823.5-34.1000112.9K209 R217K209-P213 WeakPolarHBondContact O-CD 3.33Å; P213-R217 PolarHBondContact O-N 2.72Å; P213-R217 VanDerWaalsContact O-N 3.12Å
214K94.4Very high93.5Very high28 Ų2869.4 Ų69.412%0.12232%0.323CS..Hα-helixtrans-72.5-47.8177.9-54.6178.7-169.8178.80110.7F71 D73 W185 I211 E212 K216 R217 I218F71-K214 HydrophobicContact CD1-CB 4.11Å; F71-K214 HydrophobicContact CD1-CD 4.19Å; F71-K214 HydrophobicContact CD1-CG 3.81Å; F71-K214 HydrophobicContact CE1-CB 3.6Å; F71-K214 HydrophobicContact CE1-CG 3.74Å; F71-K214 HydrophobicContact CE2-CB 4.43Å; F71-K214 HydrophobicContact CG-CD 4.48Å; F71-K214 HydrophobicContact CZ-CB 3.78Å; F71-K214 HydrophobicContact CZ-CG 4.39Å; D73-K214 IonicContact OD1-NZ 2.72Å; D73-K214 PolarHBondContact OD1-NZ 2.82Å; D73-K214 WeakPolarHBondContact OD2-CE 3.44Å; D73-K214 IonicContact OD2-NZ 2.74Å; D73-K214 PolarHBondContact OD2-NZ 3.37Å; W185-K214 HydrophobicContact CB-CB 4.27Å; W185-K214 HydrophobicContact CD2-CB 4.22Å; W185-K214 HydrophobicContact CD2-CD 3.62Å; W185-K214 HydrophobicContact CE3-CD 3.7Å; W185-K214 HydrophobicContact CG-CB 4.02Å; W185-K214 HydrophobicContact CG-CD 4.29Å; W185-K214 HydrophobicContact CH2-CD 3.95Å; W185-K214 HydrophobicContact CZ2-CD 3.86Å; W185-K214 HydrophobicContact CZ3-CD 3.85Å; I211-K214 WeakPolarHBondContact O-CA 3.46Å; I211-K214 WeakPolarHBondContact O-CB 3.18Å; I211-K214 PolarHBondContact O-N 3.44Å; E212-K214 VanDerWaalsContact C-N 3.27Å; E212-K214 PolarHBondContact O-N 3.44Å; K214-K216 VanDerWaalsContact C-N 3.31Å; K214-K216 PolarHBondContact O-N 2.93Å; K214-R217 PolarHBondContact O-N 3.17Å; K214-I218 WeakPolarHBondContact O-CG1 3.41Å; K214-I218 PolarHBondContact O-N 3.18Å
215H94.2Very high93Very high30 Ų3073.6 Ų73.614%0.13934%0.34CS..Hα-helixtrans-55.6-46.3174.6175.658.2000111.4Y189 I211 E212 R217 I218 F219Y189-H215 AromaticContact CD1-CD2 3.23Å; Y189-H215 WeakPolarHBondContact CD1-CD2 3.44Å; Y189-H215 AromaticContact CD1-CG 3.74Å; Y189-H215 AromaticContact CD1-NE2 3.47Å; Y189-H215 WeakPolarHBondContact CD1-NE2 3.45Å; Y189-H215 HydrophobicContact CD2-CB 4.23Å; Y189-H215 AromaticContact CE1-CD2 3.41Å; Y189-H215 VanDerWaalsContact CE1-CD2 3.41Å; Y189-H215 WeakPolarHBondContact CE1-CD2 3.39Å; Y189-H215 AromaticContact CE1-NE2 3.67Å; Y189-H215 HydrophobicContact CG-CB 4.03Å; Y189-H215 AromaticContact CG-CD2 3.64Å; Y189-H215 AromaticContact CG-CG 3.72Å; Y189-H215 AromaticContact CZ-CD2 3.97Å; I211-H215 HydrophobicContact CG2-CB 4.43Å; I211-H215 PolarHBondContact O-N 2.93Å; E212-H215 PolarHBondContact O-N 3.41Å; H215-R217 PolarHBondContact O-N 3.31Å; H215-I218 PolarHBondContact O-N 3.21Å; H215-F219 VanDerWaalsContact O-CB 3.31Å; H215-F219 WeakPolarHBondContact O-CB 3.45Å; H215-F219 PolarHBondContact O-N 3.28Å
216K93.3Very high92.4Very high124 Ų12474.9 Ų74.954%0.53935%0.345SS..Hα-helixtrans-60.5-44.7177.7-177.9175.2173.7179.10112.3E212 K214 I218 F219 E220E212-K216 WeakPolarHBondContact O-CB 3.4Å; E212-K216 PolarHBondContact O-N 3.48Å; K214-K216 VanDerWaalsContact C-N 3.31Å; K214-K216 PolarHBondContact O-N 2.93Å; K216-I218 PolarHBondContact O-N 3.1Å; K216-F219 PolarHBondContact O-N 2.73Å; K216-E220 WeakPolarHBondContact CE-OE1 3.45Å; K216-E220 HydrophobicContact CG-CG 4.4Å; K216-E220 IonicContact NZ-OE1 3.95Å; K216-E220 WeakPolarHBondContact O-CB 3.18Å; K216-E220 VanDerWaalsContact O-CG 3.29Å; K216-E220 WeakPolarHBondContact O-CG 3.32Å; K216-E220 PolarHBondContact O-N 3.32Å
217R92.6Very high91.9Very high144 Ų14476.3 Ų76.354%0.54335%0.345SS..Hα-helixtrans-62.4-42.9178-172.3176.6-179.2-177.3-3.7112I69 F71 P213 K214 H215 H221I69-R217 HydrophobicContact CD1-CG 4.26Å; I69-R217 WeakPolarHBondContact CD1-O 3.29Å; I69-R217 HydrophobicContact CG2-CG 4.29Å; F71-R217 HydrophobicContact CE1-CB 4.41Å; F71-R217 HydrophobicContact CZ-CB 4.32Å; P213-R217 PolarHBondContact O-N 2.72Å; P213-R217 VanDerWaalsContact O-N 3.12Å; K214-R217 PolarHBondContact O-N 3.17Å; H215-R217 PolarHBondContact O-N 3.31Å; R217-H221 WeakPolarHBondContact O-CB 3.22Å; R217-H221 PolarHBondContact O-N 2.73Å; R217-H221 VanDerWaalsContact O-N 3.08Å
218I91.5Very high91.5Very high22 Ų2279.4 Ų79.411%0.11336%0.358CS..Hα-helixtrans-63.4-47.7175.4-63.1166000110.7I69 F71 W185 E186 K214 H215 K216 E220 H221 N222I69-I218 HydrophobicContact CD1-CB 4.4Å; I69-I218 HydrophobicContact CD1-CG1 4.18Å; F71-I218 HydrophobicContact CE2-CD1 3.64Å; F71-I218 HydrophobicContact CE2-CG1 3.64Å; F71-I218 HydrophobicContact CZ-CD1 3.99Å; F71-I218 HydrophobicContact CZ-CG1 3.69Å; W185-I218 HydrophobicContact CB-CD1 3.72Å; W185-I218 HydrophobicContact CG-CD1 4.04Å; E186-I218 VanDerWaalsContact CD-CG2 3.41Å; E186-I218 HydrophobicContact CG-CB 4.27Å; E186-I218 HydrophobicContact CG-CD1 4.37Å; E186-I218 HydrophobicContact CG-CG2 3.73Å; K214-I218 WeakPolarHBondContact O-CG1 3.41Å; K214-I218 PolarHBondContact O-N 3.18Å; H215-I218 PolarHBondContact O-N 3.21Å; K216-I218 PolarHBondContact O-N 3.1Å; I218-E220 PolarHBondContact O-N 3.31Å; I218-H221 PolarHBondContact O-N 3.47Å; I218-N222 VanDerWaalsContact CG2-ND2 3.35Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.3Å; I218-N222 WeakPolarHBondContact O-CB 3.3Å; I218-N222 PolarHBondContact O-N 2.92Å; I218-N222 PolarHBondContact O-OD1 3.36Å
219F88.8Confident91.1Very high108 Ų10884.2 Ų84.247%0.47438%0.375SS..Hα-helixtrans-58.9-47.3179.2178.9-97.2000111.9H215 K216 H221 N222 M223H215-F219 VanDerWaalsContact O-CB 3.31Å; H215-F219 WeakPolarHBondContact O-CB 3.45Å; H215-F219 PolarHBondContact O-N 3.28Å; K216-F219 PolarHBondContact O-N 2.73Å; F219-H221 PolarHBondContact O-N 3.41Å; F219-N222 PolarHBondContact O-N 2.95Å; F219-M223 HydrophobicContact CD1-CG 4.26Å; F219-M223 HydrophobicContact CD2-CG 4.48Å; F219-M223 HydrophobicContact CE1-CG 3.85Å; F219-M223 HydrophobicContact CE2-CG 4.08Å; F219-M223 HydrophobicContact CE2-SD 4.47Å; F219-M223 HydrophobicContact CZ-CG 3.75Å; F219-M223 HydrophobicContact CZ-SD 4.19Å; F219-M223 WeakPolarHBondContact O-CB 3.31Å; F219-M223 VanDerWaalsContact O-CG 3.27Å; F219-M223 WeakPolarHBondContact O-CG 3.46Å; F219-M223 PolarHBondContact O-N 3.2Å
220E90.8Very high90.7Very high108 Ų10882.7 Ų82.751%0.50537%0.37SS..Hα-helixtrans-61.7-41.7178.2-74.8174.3176.800112.3K216 I218 K224K216-E220 WeakPolarHBondContact CE-OE1 3.45Å; K216-E220 HydrophobicContact CG-CG 4.4Å; K216-E220 IonicContact NZ-OE1 3.95Å; K216-E220 WeakPolarHBondContact O-CB 3.18Å; K216-E220 VanDerWaalsContact O-CG 3.29Å; K216-E220 WeakPolarHBondContact O-CG 3.32Å; K216-E220 PolarHBondContact O-N 3.32Å; I218-E220 PolarHBondContact O-N 3.31Å; E220-K224 WeakPolarHBondContact O-CB 3.48Å; E220-K224 PolarHBondContact O-N 3.43Å
221H90.4Very high90.6Very high39 Ų3982.9 Ų82.918%0.18137%0.371CS..Hα-helixtrans-65.3-49.5174.7171.1-88.8000112.1E66 S67 I69 R217 I218 F219 M223 K224 Y225E66-H221 WeakPolarHBondContact CB-NE2 3.37Å; E66-H221 IonicContact OE2-CD2 3.68Å; E66-H221 PolarHBondContact OE2-CD2 3.39Å; E66-H221 IonicContact OE2-NE2 3.87Å; S67-H221 PolarHBondContact O-NE2 3Å; I69-H221 HydrophobicContact CD1-CB 3.2Å; I69-H221 VanDerWaalsContact CD1-CG 3.46Å; I69-H221 HydrophobicContact CG1-CB 4.05Å; R217-H221 WeakPolarHBondContact O-CB 3.22Å; R217-H221 PolarHBondContact O-N 2.73Å; R217-H221 VanDerWaalsContact O-N 3.08Å; I218-H221 PolarHBondContact O-N 3.47Å; F219-H221 PolarHBondContact O-N 3.41Å; H221-M223 VanDerWaalsContact C-N 3.28Å; H221-M223 PolarHBondContact O-N 2.91Å; H221-K224 WeakPolarHBondContact O-CB 3.22Å; H221-K224 PolarHBondContact O-N 3.02Å; H221-Y225 WeakPolarHBondContact O-CB 3.35Å; H221-Y225 PolarHBondContact O-N 3.44Å
222N88.6Confident90.3Very high63 Ų6386.2 Ų86.234%0.33739%0.385SS..Hα-helixtrans-59.5-41.5179.7-70.6-7.8000111.2E186 I218 F219 E226E186-N222 PolarHBondContact OE1-ND2 3.49Å; I218-N222 VanDerWaalsContact CG2-ND2 3.35Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.3Å; I218-N222 WeakPolarHBondContact O-CB 3.3Å; I218-N222 PolarHBondContact O-N 2.92Å; I218-N222 PolarHBondContact O-OD1 3.36Å; F219-N222 PolarHBondContact O-N 2.95Å; N222-E226 WeakPolarHBondContact O-CB 3.33Å; N222-E226 PolarHBondContact O-N 3.35Å
223M84.6Confident90.1Very high99 Ų9985.8 Ų85.849%0.48839%0.386SS..Hα-helixtrans-64-40174.4-77.4-64.1-59.200113F219 H221 R227F219-M223 HydrophobicContact CD1-CG 4.26Å; F219-M223 HydrophobicContact CD2-CG 4.48Å; F219-M223 HydrophobicContact CE1-CG 3.85Å; F219-M223 HydrophobicContact CE2-CG 4.08Å; F219-M223 HydrophobicContact CE2-SD 4.47Å; F219-M223 HydrophobicContact CZ-CG 3.75Å; F219-M223 HydrophobicContact CZ-SD 4.19Å; F219-M223 WeakPolarHBondContact O-CB 3.31Å; F219-M223 VanDerWaalsContact O-CG 3.27Å; F219-M223 WeakPolarHBondContact O-CG 3.46Å; F219-M223 PolarHBondContact O-N 3.2Å; H221-M223 VanDerWaalsContact C-N 3.28Å; H221-M223 PolarHBondContact O-N 2.91Å; M223-R227 WeakPolarHBondContact O-CB 3.47Å; M223-R227 PolarHBondContact O-N 3.02Å; M223-R227 VanDerWaalsContact O-N 3.09Å
224K89.8Confident89.9Confident101 Ų10187.4 Ų87.444%0.43939%0.386SS..Hα-helixtrans-69.3-44.4177.2-176.5-171.9175.6-141.90111.5E66 E220 H221 R227 K228E66-K224 WeakPolarHBondContact OE1-CE 3.34Å; E66-K224 IonicContact OE1-NZ 3.46Å; E66-K224 PolarHBondContact OE1-NZ 3.38Å; E66-K224 IonicContact OE2-NZ 3.34Å; E220-K224 WeakPolarHBondContact O-CB 3.48Å; E220-K224 PolarHBondContact O-N 3.43Å; H221-K224 WeakPolarHBondContact O-CB 3.22Å; H221-K224 PolarHBondContact O-N 3.02Å; K224-R227 PolarHBondContact O-N 3.31Å; K224-K228 WeakPolarHBondContact O-CG 3.46Å; K224-K228 PolarHBondContact O-N 3.39Å
225Y86.1Confident89.8Confident89 Ų8991.8 Ų91.835%0.34940%0.402SS..Hα-helixtrans-59.5-49.2176.2176.5-95.5000111.2T64 E66 H221 R227 K228 R229T64-Y225 VanDerWaalsContact O-CE2 3.27Å; T64-Y225 WeakPolarHBondContact O-CE2 3.41Å; E66-Y225 HydrophobicContact CB-CD2 4.35Å; E66-Y225 HydrophobicContact CG-CD2 4.31Å; H221-Y225 WeakPolarHBondContact O-CB 3.35Å; H221-Y225 PolarHBondContact O-N 3.44Å; Y225-R227 VanDerWaalsContact C-N 3.34Å; Y225-R227 PolarHBondContact O-N 3.15Å; Y225-K228 PolarHBondContact O-N 3.36Å; Y225-R229 WeakPolarHBondContact O-CB 3.23Å; Y225-R229 PolarHBondContact O-N 2.9Å
226E85.9Confident89.8Confident67 Ų6793.5 Ų93.531%0.31341%0.41SS..Hα-helixtrans-64.6-38.3179.4-175.255.9-153.600111.7N222 R229 Q230N222-E226 WeakPolarHBondContact O-CB 3.33Å; N222-E226 PolarHBondContact O-N 3.35Å; E226-R229 PolarHBondContact O-N 3.17Å; E226-R229 IonicContact OE1-NH1 2.72Å; E226-R229 IonicContact OE2-NH1 2.75Å; E226-R229 PolarHBondContact OE2-NH1 3.05Å; E226-Q230 WeakPolarHBondContact O-CB 3.23Å; E226-Q230 VanDerWaalsContact O-CG 3.32Å; E226-Q230 WeakPolarHBondContact O-CG 3.43Å; E226-Q230 PolarHBondContact O-N 2.8Å; E226-Q230 PolarHBondContact OE1-NE2 3.48Å
227R88.6Confident89.7Confident150 Ų15095.4 Ų95.457%0.56641%0.414SS*.Hα-helixtrans-59-51.8172.6-173.4-165.7-49.9-177.23.2112M223 K224 Y225 R229 Q230 E231M223-R227 WeakPolarHBondContact O-CB 3.47Å; M223-R227 PolarHBondContact O-N 3.02Å; M223-R227 VanDerWaalsContact O-N 3.09Å; K224-R227 PolarHBondContact O-N 3.31Å; Y225-R227 VanDerWaalsContact C-N 3.34Å; Y225-R227 PolarHBondContact O-N 3.15Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.18Å; R227-Q230 PolarHBondContact O-N 3.28Å; R227-E231 HydrophobicContact CG-CG 4.5Å; R227-E231 WeakPolarHBondContact CG-OE1 3.15Å; R227-E231 WeakPolarHBondContact O-CG 3.22Å; R227-E231 PolarHBondContact O-N 2.9Å
228K88.2Confident89.7Confident67 Ų6797.1 Ų97.129%0.29142%0.42SS..Hα-helixtrans-59.1-40.4178.2-77.4178.3163.4-171.20112E66 K224 Y225 E231 K232E66-K228 WeakPolarHBondContact OE1-CE 3.38Å; E66-K228 IonicContact OE1-NZ 3.91Å; E66-K228 PolarHBondContact OE1-NZ 3.31Å; K224-K228 WeakPolarHBondContact O-CG 3.46Å; K224-K228 PolarHBondContact O-N 3.39Å; Y225-K228 PolarHBondContact O-N 3.36Å; K228-E231 PolarHBondContact O-N 2.64Å; K228-K232 WeakPolarHBondContact O-CB 3.45Å; K228-K232 PolarHBondContact O-N 3.36Å
229R88.7Confident89.9Confident116 Ų11699.9 Ų99.944%0.43843%0.433SS..Hα-helixtrans-63.7-43.7176.6-175.6176175.7-117.51.1111.6Y225 E226 R227 K232 L233Y225-R229 WeakPolarHBondContact O-CB 3.23Å; Y225-R229 PolarHBondContact O-N 2.9Å; E226-R229 PolarHBondContact O-N 3.17Å; E226-R229 IonicContact OE1-NH1 2.72Å; E226-R229 IonicContact OE2-NH1 2.75Å; E226-R229 PolarHBondContact OE2-NH1 3.05Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.18Å; R229-K232 PolarHBondContact O-N 3.09Å; R229-L233 HydrophobicContact CG-CD1 4.47Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.14Å
230Q88.9Confident90.1Very high98 Ų98102.8 Ų102.846%0.45844%0.441SS..Hα-helixtrans-65-46.4175.3-72.6178.213.100112E226 R227 K232 L233 E234E226-Q230 WeakPolarHBondContact O-CB 3.23Å; E226-Q230 VanDerWaalsContact O-CG 3.32Å; E226-Q230 WeakPolarHBondContact O-CG 3.43Å; E226-Q230 PolarHBondContact O-N 2.8Å; E226-Q230 PolarHBondContact OE1-NE2 3.48Å; R227-Q230 PolarHBondContact O-N 3.28Å; Q230-K232 VanDerWaalsContact C-N 3.29Å; Q230-K232 PolarHBondContact O-N 3.3Å; Q230-L233 PolarHBondContact O-N 3.43Å; Q230-L233 VanDerWaalsContact O-N 3.16Å; Q230-E234 WeakPolarHBondContact O-CG 3.22Å; Q230-E234 PolarHBondContact O-N 2.73Å
231E91.2Very high90.2Very high110 Ų110101.1 Ų101.151%0.51443%0.434SS..Hα-helixtrans-57.8-40.8176-73.2171.8-175.700111.9R227 K228 E234 R235R227-E231 HydrophobicContact CG-CG 4.5Å; R227-E231 WeakPolarHBondContact CG-OE1 3.15Å; R227-E231 WeakPolarHBondContact O-CG 3.22Å; R227-E231 PolarHBondContact O-N 2.9Å; K228-E231 PolarHBondContact O-N 2.64Å; E231-E234 PolarHBondContact O-N 3.22Å; E231-R235 WeakPolarHBondContact O-CB 3.4Å; E231-R235 PolarHBondContact O-N 3.08Å
232K89.1Confident90.3Very high71 Ų71106 Ų10631%0.30945%0.451SS..Hα-helixtrans-62.4-49.2174178.8173.6-179.8-179.10111.8T64 K228 R229 Q230 E234 R235 E236T64-K232 HydrophobicContact CG2-CD 4Å; T64-K232 PolarHBondContact OG1-NZ 3.41Å; K228-K232 WeakPolarHBondContact O-CB 3.45Å; K228-K232 PolarHBondContact O-N 3.36Å; R229-K232 PolarHBondContact O-N 3.09Å; Q230-K232 VanDerWaalsContact C-N 3.29Å; Q230-K232 PolarHBondContact O-N 3.3Å; K232-E234 VanDerWaalsContact C-N 3.31Å; K232-E234 PolarHBondContact O-N 3.27Å; K232-R235 PolarHBondContact O-N 3.43Å; K232-E236 VanDerWaalsContact CE-OE1 3.22Å; K232-E236 WeakPolarHBondContact CE-OE1 3.47Å; K232-E236 WeakPolarHBondContact CG-OE1 3.49Å; K232-E236 WeakPolarHBondContact O-CB 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.41Å; K232-E236 PolarHBondContact O-N 3.35Å
233L91.4Very high90.6Very high86 Ų86110 Ų11045%0.4547%0.465SS..Hα-helixtrans-61.5-39.1177.9-72.4171.5000112.1R229 Q230 R237R229-L233 HydrophobicContact CG-CD1 4.47Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.14Å; Q230-L233 PolarHBondContact O-N 3.43Å; Q230-L233 VanDerWaalsContact O-N 3.16Å; L233-R237 VanDerWaalsContact O-CB 3.26Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.85Å
234E90.1Very high91Very high116 Ų116107.2 Ų107.254%0.54246%0.458SS..Hα-helixtrans-67.1-42.5175.7-74.6-171.517500112.5Q230 E231 K232 R237 R238Q230-E234 WeakPolarHBondContact O-CG 3.22Å; Q230-E234 PolarHBondContact O-N 2.73Å; E231-E234 PolarHBondContact O-N 3.22Å; K232-E234 VanDerWaalsContact C-N 3.31Å; K232-E234 PolarHBondContact O-N 3.27Å; E234-R237 PolarHBondContact O-N 3.49Å; E234-R238 WeakPolarHBondContact O-CB 3.22Å; E234-R238 PolarHBondContact O-N 2.91Å
235R93.4Very high91.2Very high119 Ų119107.6 Ų107.645%0.44946%0.462SS..Hα-helixtrans-61.6-48.8175.3-179.6177.253.971.51.1111.1E231 K232 R237 R238 E239E231-R235 WeakPolarHBondContact O-CB 3.4Å; E231-R235 PolarHBondContact O-N 3.08Å; K232-R235 PolarHBondContact O-N 3.43Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.31Å; R235-R238 PolarHBondContact O-N 2.92Å; R235-E239 WeakPolarHBondContact CG-OE1 3.46Å; R235-E239 IonicContact NH1-OE1 2.68Å; R235-E239 PolarHBondContact NH1-OE1 3.11Å; R235-E239 IonicContact NH1-OE2 3.52Å; R235-E239 WeakPolarHBondContact O-CB 3.45Å; R235-E239 WeakPolarHBondContact O-CG 3.31Å; R235-E239 PolarHBondContact O-N 3.09Å
236E93.2Very high91.5Very high67 Ų67107.6 Ų107.631%0.31347%0.465SS..Hα-helixtrans-62.1-37.2175.9-72173-17100112.1K232 R240K232-E236 VanDerWaalsContact CE-OE1 3.22Å; K232-E236 WeakPolarHBondContact CE-OE1 3.47Å; K232-E236 WeakPolarHBondContact CG-OE1 3.49Å; K232-E236 WeakPolarHBondContact O-CB 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.41Å; K232-E236 PolarHBondContact O-N 3.35Å; E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 WeakPolarHBondContact O-CG 3.44Å; E236-R240 PolarHBondContact O-N 3.42Å; E236-R240 PolarHBondContact O-NE 3.02Å
237R92.1Very high91.7Very high164 Ų164110.8 Ų110.862%0.61948%0.48SS*.Hα-helixtrans-65.7-43.4173.6-175.2176.9-175.8-89.7-0.1111.5L233 E234 R235 R240 I241L233-R237 VanDerWaalsContact O-CB 3.26Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.85Å; E234-R237 PolarHBondContact O-N 3.49Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.31Å; R237-R240 PolarHBondContact O-N 2.67Å; R237-I241 HydrophobicContact CG-CD1 4.13Å; R237-I241 WeakPolarHBondContact O-CG1 3.4Å; R237-I241 PolarHBondContact O-N 3.36Å
238R93.2Very high91.7Very high180 Ų180112.3 Ų112.368%0.67949%0.485SS*.Hα-helixtrans-64.5-43.4178.6-169.5-179.2-61.2171.64111.3E234 R235 I241 R242E234-R238 WeakPolarHBondContact O-CB 3.22Å; E234-R238 PolarHBondContact O-N 2.91Å; R235-R238 PolarHBondContact O-N 2.92Å; R238-I241 PolarHBondContact O-N 3.3Å; R238-R242 WeakPolarHBondContact O-CB 3.41Å; R238-R242 PolarHBondContact O-N 3.43Å
239E94.2Very high91.7Very high80 Ų80114.1 Ų114.137%0.37450%0.495SS..Hα-helixtrans-63.9-41.2176.1-74.1170.4-166.500112.1R235 R242 K243R235-E239 WeakPolarHBondContact CG-OE1 3.46Å; R235-E239 IonicContact NH1-OE1 2.68Å; R235-E239 PolarHBondContact NH1-OE1 3.11Å; R235-E239 IonicContact NH1-OE2 3.52Å; R235-E239 WeakPolarHBondContact O-CB 3.45Å; R235-E239 WeakPolarHBondContact O-CG 3.31Å; R235-E239 PolarHBondContact O-N 3.09Å; E239-R242 PolarHBondContact O-N 2.85Å; E239-K243 WeakPolarHBondContact O-CB 3.24Å; E239-K243 PolarHBondContact O-N 2.63Å
240R94Very high91.8Very high169 Ų169116.1 Ų116.164%0.63850%0.502SS*.Hα-helixtrans-62-43.9173.8-79.1-173.9-71.6179.1-5112.8E236 R237 A244E236-R240 WeakPolarHBondContact O-CB 3.44Å; E236-R240 WeakPolarHBondContact O-CG 3.44Å; E236-R240 PolarHBondContact O-N 3.42Å; E236-R240 PolarHBondContact O-NE 3.02Å; R237-R240 PolarHBondContact O-N 2.67Å; R240-A244 WeakPolarHBondContact O-CB 3.49Å; R240-A244 PolarHBondContact O-N 3.12Å
241I92.2Very high91.7Very high73 Ų73114.1 Ų114.137%0.37450%0.503SS..Hα-helixtrans-63.5-45.7176.4-68.4167.3000110.2R237 R238 A244 Q245R237-I241 HydrophobicContact CG-CD1 4.13Å; R237-I241 WeakPolarHBondContact O-CG1 3.4Å; R237-I241 PolarHBondContact O-N 3.36Å; R238-I241 PolarHBondContact O-N 3.3Å; I241-A244 PolarHBondContact O-N 2.95Å; I241-Q245 HydrophobicContact CG2-CG 4.42Å; I241-Q245 WeakPolarHBondContact O-CG 3.31Å; I241-Q245 PolarHBondContact O-N 3.33Å
242R93.2Very high91.4Very high141 Ų141114.3 Ų114.353%0.53250%0.504SS..Hα-helixtrans-58.3-49.9177.7-170.6-173.375.3-150.4-4.3111.4R238 E239 A244 Q245 E246R238-R242 WeakPolarHBondContact O-CB 3.41Å; R238-R242 PolarHBondContact O-N 3.43Å; E239-R242 PolarHBondContact O-N 2.85Å; R242-A244 VanDerWaalsContact C-N 3.34Å; R242-A244 PolarHBondContact O-N 3.43Å; R242-Q245 PolarHBondContact O-N 3.27Å; R242-E246 WeakPolarHBondContact CD-OE1 3.47Å; R242-E246 WeakPolarHBondContact CG-OE1 3.31Å; R242-E246 IonicContact NE-OE1 2.86Å; R242-E246 PolarHBondContact NE-OE1 2.65Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.75Å
243K95.1Very high90.9Very high147 Ų147117.9 Ų117.964%0.63952%0.515SS*.Hα-helixtrans-61.3-40.9179-169.4177.2-178.3177.70112.2E239 E246 E247E239-K243 WeakPolarHBondContact O-CB 3.24Å; E239-K243 PolarHBondContact O-N 2.63Å; K243-E246 PolarHBondContact O-N 3.04Å; K243-E247 WeakPolarHBondContact O-CB 3.45Å; K243-E247 PolarHBondContact O-N 3.5Å
244A93.1Very high90.2Very high41 Ų41118.2 Ų118.234%0.33952%0.517SS..Hα-helixtrans-68-34.4176.500000112.9R240 I241 R242 R248R240-A244 WeakPolarHBondContact O-CB 3.49Å; R240-A244 PolarHBondContact O-N 3.12Å; I241-A244 PolarHBondContact O-N 2.95Å; R242-A244 VanDerWaalsContact C-N 3.34Å; R242-A244 PolarHBondContact O-N 3.43Å; A244-R248 VanDerWaalsContact O-CG 3.28Å; A244-R248 WeakPolarHBondContact O-CG 3.45Å; A244-R248 PolarHBondContact O-N 3.48Å; A244-R248 VanDerWaalsContact O-N 3.1Å
245Q92.9Very high89.4Confident109 Ų109118.1 Ų118.151%0.50953%0.525SS..Hα-helixtrans-67.2-49.2172.7-74.5173.2-27.200111I241 R242 E247 R248 E249I241-Q245 HydrophobicContact CG2-CG 4.42Å; I241-Q245 WeakPolarHBondContact O-CG 3.31Å; I241-Q245 PolarHBondContact O-N 3.33Å; R242-Q245 PolarHBondContact O-N 3.27Å; Q245-E247 VanDerWaalsContact C-N 3.28Å; Q245-E247 PolarHBondContact O-N 2.99Å; Q245-R248 PolarHBondContact O-N 3.24Å; Q245-E249 WeakPolarHBondContact O-CB 3.36Å; Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 3.13Å
246E92.9Very high87.7Confident88 Ų88119.5 Ų119.541%0.41154%0.537SS..Hα-helixtrans-58.2-38.3177-72.3170.9-168.800112.2R242 K243 R250R242-E246 WeakPolarHBondContact CD-OE1 3.47Å; R242-E246 WeakPolarHBondContact CG-OE1 3.31Å; R242-E246 IonicContact NE-OE1 2.86Å; R242-E246 PolarHBondContact NE-OE1 2.65Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.75Å; K243-E246 PolarHBondContact O-N 3.04Å; E246-R250 VanDerWaalsContact O-CB 3.32Å; E246-R250 WeakPolarHBondContact O-CB 3.5Å; E246-R250 PolarHBondContact O-N 3.44Å
247E90.5Very high85.6Confident135 Ų135123 Ų12363%0.63155%0.551SS**Hα-helixtrans-69.7-41.8176.6-171.4174.5-173.300112.4K243 Q245 R250 A251K243-E247 WeakPolarHBondContact O-CB 3.45Å; K243-E247 PolarHBondContact O-N 3.5Å; Q245-E247 VanDerWaalsContact C-N 3.28Å; Q245-E247 PolarHBondContact O-N 2.99Å; E247-R250 PolarHBondContact O-N 3.16Å; E247-A251 WeakPolarHBondContact O-CB 3.3Å; E247-A251 PolarHBondContact O-N 3.41Å
248R88.2Confident83.5Confident181 Ų181120.6 Ų120.668%0.68356%0.556SS**Hα-helixtrans-63.2-43.9173.6-75.2174.1-177.1-171.91.2111.9A244 Q245 R250 A251 Q252A244-R248 VanDerWaalsContact O-CG 3.28Å; A244-R248 WeakPolarHBondContact O-CG 3.45Å; A244-R248 PolarHBondContact O-N 3.48Å; A244-R248 VanDerWaalsContact O-N 3.1Å; Q245-R248 PolarHBondContact O-N 3.24Å; R248-R250 VanDerWaalsContact C-N 3.32Å; R248-A251 PolarHBondContact O-N 2.86Å; R248-Q252 WeakPolarHBondContact O-CB 3.45Å; R248-Q252 VanDerWaalsContact O-CG 3.3Å; R248-Q252 WeakPolarHBondContact O-CG 3.34Å; R248-Q252 PolarHBondContact O-N 3.3Å
249E88.5Confident81Confident106 Ų106119.9 Ų119.950%0.49557%0.566SS.*Hα-helixtrans-65.7-34.5176.3-73.3176.6-173.800112.3Q245 R253Q245-E249 WeakPolarHBondContact O-CB 3.36Å; Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 3.13Å; E249-R253 WeakPolarHBondContact O-CG 3.47Å; E249-R253 PolarHBondContact O-N 3.17Å; E249-R253 VanDerWaalsContact O-N 3.09Å; E249-R253 PolarHBondContact O-NE 3.24Å
250R90.1Very high78.5Confident157 Ų157123.6 Ų123.659%0.59258%0.581SS**Hα-helixtrans-68.3-46.6173.5-173-179.4-66.9175.5-1.3111.1E246 E247 R248 Q252 R253 D254E246-R250 VanDerWaalsContact O-CB 3.32Å; E246-R250 WeakPolarHBondContact O-CB 3.5Å; E246-R250 PolarHBondContact O-N 3.44Å; E247-R250 PolarHBondContact O-N 3.16Å; R248-R250 VanDerWaalsContact C-N 3.32Å; R250-Q252 VanDerWaalsContact C-N 3.31Å; R250-Q252 PolarHBondContact O-N 3.01Å; R250-R253 PolarHBondContact O-N 3.44Å; R250-D254 PolarHBondContact O-N 3.05Å
251A87.4Confident75.8Confident56 Ų56122.9 Ų122.946%0.46359%0.59SS.*Hα-helixtrans-60.3-39.9176.600000112.2E247 R248 D254 T255E247-A251 WeakPolarHBondContact O-CB 3.3Å; E247-A251 PolarHBondContact O-N 3.41Å; R248-A251 PolarHBondContact O-N 2.86Å; A251-D254 PolarHBondContact O-N 3.01Å; A251-T255 PolarHBondContact O-N 3.26Å; A251-T255 PolarHBondContact O-OG1 2.87Å
252Q84.1Confident73.4Confident115 Ų115125.4 Ų125.454%0.53760%0.603SS.*Hα-helixtrans-62.6-46.8173.9-75.8173.33.600112R248 R250 D254 T255 E256R248-Q252 WeakPolarHBondContact O-CB 3.45Å; R248-Q252 VanDerWaalsContact O-CG 3.3Å; R248-Q252 WeakPolarHBondContact O-CG 3.34Å; R248-Q252 PolarHBondContact O-N 3.3Å; R250-Q252 VanDerWaalsContact C-N 3.31Å; R250-Q252 PolarHBondContact O-N 3.01Å; Q252-D254 VanDerWaalsContact C-N 3.3Å; Q252-D254 PolarHBondContact O-N 3.48Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.26Å; Q252-T255 PolarHBondContact O-N 2.83Å; Q252-T255 PolarHBondContact O-OG1 3.19Å; Q252-E256 WeakPolarHBondContact O-CB 3.43Å; Q252-E256 WeakPolarHBondContact O-CG 3.44Å; Q252-E256 PolarHBondContact O-N 3.15Å
253R79.4Confident70.7Confident145 Ų145123.3 Ų123.355%0.54761%0.608SS.*Hα-helixtrans-61.8-35.5176.4-81.8-176.7-73.8151.2-11.3113.5E249 R250 E256 K257E249-R253 WeakPolarHBondContact O-CG 3.47Å; E249-R253 PolarHBondContact O-N 3.17Å; E249-R253 VanDerWaalsContact O-N 3.09Å; E249-R253 PolarHBondContact O-NE 3.24Å; R250-R253 PolarHBondContact O-N 3.44Å; R253-E256 PolarHBondContact O-N 2.84Å; R253-K257 PolarHBondContact O-N 3.41Å
254D77Confident68.1Low93 Ų93124.2 Ų124.250%0.49762%0.62SS.*Hα-helixtrans-74.3-30.2177.7-70.1-28.3000111.9R250 A251 Q252 K257R250-D254 PolarHBondContact O-N 3.05Å; A251-D254 PolarHBondContact O-N 3.01Å; Q252-D254 VanDerWaalsContact C-N 3.3Å; Q252-D254 PolarHBondContact O-N 3.48Å; D254-K257 IonicContact OD1-NZ 3.82Å
255T72Confident65.6Low115 Ų115126.8 Ų126.871%0.70664%0.635SS**Hα-helixtrans-76.1-26.717049.10000114.2A251 Q252A251-T255 PolarHBondContact O-N 3.26Å; A251-T255 PolarHBondContact O-OG1 2.87Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.26Å; Q252-T255 PolarHBondContact O-N 2.83Å; Q252-T255 PolarHBondContact O-OG1 3.19Å
256E58.4Low63.1Low148 Ų148124 Ų12469%0.69264%0.635SS**Hα-helixtrans-83.8-12.5179.1-76.6-179.3175.700113.5Q252 R253 P258Q252-E256 WeakPolarHBondContact O-CB 3.43Å; Q252-E256 WeakPolarHBondContact O-CG 3.44Å; Q252-E256 PolarHBondContact O-N 3.15Å; R253-E256 PolarHBondContact O-N 2.84Å; E256-P258 WeakPolarHBondContact O-CD 3.06Å; E256-P258 VanDerWaalsContact O-N 3.15Å
257K49.3Very low60.3Low139 Ų139126.8 Ų126.860%0.60465%0.653SS**SBendtrans-66112.2169.5-82.7176.5-175.6158.60108.4R253 D254 D259R253-K257 PolarHBondContact O-N 3.41Å; D254-K257 IonicContact OD1-NZ 3.82Å; K257-D259 PolarHBondContact O-N 3.2Å; K257-D259 VanDerWaalsContact O-N 3.14Å
258P46.9Very low58.1Low114 Ų114125.4 Ų125.474%0.7465%0.649SS**  trans-69.6114.8171.22.314.5000106.6E256 F260E256-P258 WeakPolarHBondContact O-CD 3.06Å; E256-P258 VanDerWaalsContact O-N 3.15Å; P258-F260 PolarHBondContact O-N 2.91Å
259D41.4Very low55.6Low165 Ų165122.3 Ų122.388%0.88265%0.652SS**  trans-65.177.5159.1-84.6-22.4000107.7K257K257-D259 PolarHBondContact O-N 3.2Å; K257-D259 VanDerWaalsContact O-N 3.14Å
260F41.1Very low53.7Low158 Ų158120 Ų12069%0.69366%0.658SS**  trans-120.283.8161.6-160-80.5000107.1P258 I262P258-F260 PolarHBondContact O-N 2.91Å; F260-I262 HydrophobicContact CD1-CB 4.19Å; F260-I262 HydrophobicContact CD1-CD1 4.46Å; F260-I262 HydrophobicContact CD1-CG1 3.35Å; F260-I262 HydrophobicContact CE1-CB 4.11Å; F260-I262 HydrophobicContact CE1-CG1 3.51Å; F260-I262 PolarHBondContact O-N 2.79Å
261D37.8Very low51.4Low154 Ų154117.5 Ų117.582%0.82465%0.654SS**  trans-61.193.7157.3-81.5-42.3000107.1P263D261-P263 WeakPolarHBondContact O-CD 3.36Å
262I41.6Very low49.3Very low126 Ų126120.9 Ų120.965%0.64666%0.664SS**  trans-63.8114.5162.8-50.8177.3000104.7F260 D264F260-I262 HydrophobicContact CD1-CB 4.19Å; F260-I262 HydrophobicContact CD1-CD1 4.46Å; F260-I262 HydrophobicContact CD1-CG1 3.35Å; F260-I262 HydrophobicContact CE1-CB 4.11Å; F260-I262 HydrophobicContact CE1-CG1 3.51Å; F260-I262 PolarHBondContact O-N 2.79Å; I262-D264 PolarHBondContact O-N 3.42Å
263P37.1Very low47.7Very low97 Ų97120.7 Ų120.763%0.6367%0.666SS**  trans-58.4131.8173.4-15.829.5000107.6D261 S265D261-P263 WeakPolarHBondContact O-CD 3.36Å; P263-S265 PolarHBondContact O-N 2.69Å; P263-S265 PolarHBondContact O-OG 3.15Å
264D40.1Very low46.3Very low166 Ų166117.9 Ų117.989%0.88866%0.661SS**  trans-51.183.7172.6-177.329.3000109.9I262I262-D264 PolarHBondContact O-N 3.42Å
265S40.7Very low45.4Very low96 Ų96118.4 Ų118.467%0.67166%0.659SS**  trans-109.281.2-179.447.30000106P263P263-S265 PolarHBondContact O-N 2.69Å; P263-S265 PolarHBondContact O-OG 3.15Å
266G39.5Very low44.6Very low49 Ų49115.4 Ų115.451%0.50564%0.643SS.*  trans22.5102.3158.100000115.9I268G266-I268 WeakPolarHBondContact O-CG1 3.31Å; G266-I268 PolarHBondContact O-N 3.44Å
267N35.9Very low44.6Very low147 Ų147113.7 Ų113.779%0.78663%0.634SS**  trans1.182.1149.7-167.128.4000114.9P269N267-P269 WeakPolarHBondContact O-CD 3.41Å
268I43Very low45.1Very low107 Ų107107.7 Ų107.755%0.54961%0.609SS.*  trans-91.9106.8164.6-63.4169.4000106.6G266 G270 M271G266-I268 WeakPolarHBondContact O-CG1 3.31Å; G266-I268 PolarHBondContact O-N 3.44Å; I268-G270 PolarHBondContact O-N 2.71Å; I268-M271 PolarHBondContact O-N 2.55Å
269P35.8Very low45.9Very low115 Ų115108.4 Ų108.475%0.74760%0.601SS**THydrogen-bonded Turntrans-61.7121178.2-18.532.5000109.8N267N267-P269 WeakPolarHBondContact O-CD 3.41Å
270G48.1Very low47.1Very low59 Ų59106.8 Ų106.861%0.60859%0.592SS**THydrogen-bonded Turntrans117.1-22.7177.700000115.3I268I268-G270 PolarHBondContact O-N 2.71Å
271M43.7Very low48.5Very low104 Ų104100.4 Ų100.451%0.51257%0.565SS.*Hα-helixtrans-84.7-26.6179.8-152.2142.2110.600113I268 N273 M274 F275I268-M271 PolarHBondContact O-N 2.55Å; M271-N273 VanDerWaalsContact C-N 3.26Å; M271-N273 PolarHBondContact O-N 3.22Å; M271-M274 VanDerWaalsContact O-CB 3.31Å; M271-M274 WeakPolarHBondContact O-CB 3.37Å; M271-M274 PolarHBondContact O-N 3.02Å; M271-F275 PolarHBondContact O-N 3.4Å
272N42.1Very low50.2Low127 Ų12798.1 Ų98.168%0.67956%0.559SS**Hα-helixtrans-61.8-32172.1-82.710.8000113M274 S276N272-M274 VanDerWaalsContact C-N 3.34Å; N272-S276 WeakPolarHBondContact O-CB 3.45Å; N272-S276 PolarHBondContact O-N 3.45Å; N272-S276 VanDerWaalsContact O-N 3.08Å; N272-S276 PolarHBondContact O-OG 3.38Å
273N51.5Low51.7Low110 Ų11097.7 Ų97.759%0.58855%0.554SS**Hα-helixtrans-68.8-35.7174.1-86.65.9000111.4M271 S276 Q277M271-N273 VanDerWaalsContact C-N 3.26Å; M271-N273 PolarHBondContact O-N 3.22Å; N273-S276 PolarHBondContact O-OG 3.32Å; N273-S276 VanDerWaalsContact O-OG 3.1Å; N273-Q277 WeakPolarHBondContact O-CB 3.47Å; N273-Q277 VanDerWaalsContact O-CG 3.23Å; N273-Q277 WeakPolarHBondContact O-CG 3.22Å; N273-Q277 PolarHBondContact O-N 2.61Å; N273-Q277 VanDerWaalsContact O-N 3.12Å; N273-Q277 PolarHBondContact O-OE1 3.41Å
274M50.1Low53.3Low87 Ų8793.4 Ų93.443%0.42953%0.526SS..Hα-helixtrans-64.1-44.3-179.9-158.4175.5-155.600112.1M271 N272 L278 F327M271-M274 VanDerWaalsContact O-CB 3.31Å; M271-M274 WeakPolarHBondContact O-CB 3.37Å; M271-M274 PolarHBondContact O-N 3.02Å; N272-M274 VanDerWaalsContact C-N 3.34Å; M274-L278 PolarHBondContact O-N 3.1Å; M274-F327 HydrophobicContact CB-CE1 4.43Å; M274-F327 HydrophobicContact CB-CZ 4.38Å; M274-F327 HydrophobicContact CE-CD1 4.22Å; M274-F327 HydrophobicContact CE-CD2 4.18Å; M274-F327 HydrophobicContact CE-CE1 3.97Å; M274-F327 HydrophobicContact CE-CE2 3.94Å; M274-F327 HydrophobicContact CE-CG 4.36Å; M274-F327 HydrophobicContact CE-CZ 3.85Å; M274-F327 HydrophobicContact CG-CE1 3.7Å; M274-F327 HydrophobicContact CG-CE2 4.27Å; M274-F327 HydrophobicContact CG-CZ 3.43Å; M274-F327 VanDerWaalsContact CG-CZ 3.43Å
275F56.9Low54.9Low104 Ų10488 Ų8846%0.45650%0.496SS..Hα-helixtrans-74.2-41.6178.1-99-84.2000112.7M271 Q277 L278 F279M271-F275 PolarHBondContact O-N 3.4Å; F275-Q277 PolarHBondContact O-N 3.35Å; F275-L278 WeakPolarHBondContact O-CB 3.22Å; F275-L278 PolarHBondContact O-N 3.46Å; F275-F279 HydrophobicContact CD1-CD2 4.5Å; F275-F279 AromaticContact CD1-CE2 3.91Å; F275-F279 HydrophobicContact CD1-CE2 3.91Å; F275-F279 WeakPolarHBondContact O-CD2 3.09Å; F275-F279 PolarHBondContact O-N 3.44Å
276S56.3Low56.7Low52 Ų5286.9 Ų86.936%0.36449%0.488SS..Hα-helixtrans-62-33.5178.673.40000112.8N272 N273 L278 N280N272-S276 WeakPolarHBondContact O-CB 3.45Å; N272-S276 PolarHBondContact O-N 3.45Å; N272-S276 VanDerWaalsContact O-N 3.08Å; N272-S276 PolarHBondContact O-OG 3.38Å; N273-S276 PolarHBondContact O-OG 3.32Å; N273-S276 VanDerWaalsContact O-OG 3.1Å; S276-L278 VanDerWaalsContact C-N 3.35Å; S276-N280 PolarHBondContact O-ND2 2.93Å
277Q57.8Low58.4Low111 Ų11185.7 Ų85.752%0.51947%0.473SS..Hα-helixtrans-76-24.6177-70.2177.7-67.300112.6N273 F275N273-Q277 WeakPolarHBondContact O-CB 3.47Å; N273-Q277 VanDerWaalsContact O-CG 3.23Å; N273-Q277 WeakPolarHBondContact O-CG 3.22Å; N273-Q277 PolarHBondContact O-N 2.61Å; N273-Q277 VanDerWaalsContact O-N 3.12Å; N273-Q277 PolarHBondContact O-OE1 3.41Å; F275-Q277 PolarHBondContact O-N 3.35Å
278L60.4Low60.1Low14 Ų1480 Ų807%0.07344%0.443CS..Hα-helixtrans-72.6-40.4178.1-155.375.8000111.9M274 F275 S276 N280 L284 I288 F297 M323M274-L278 PolarHBondContact O-N 3.1Å; F275-L278 WeakPolarHBondContact O-CB 3.22Å; F275-L278 PolarHBondContact O-N 3.46Å; S276-L278 VanDerWaalsContact C-N 3.35Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.98Å; L278-L284 HydrophobicContact CD1-CD1 4.33Å; L278-L284 HydrophobicContact CD1-CD2 4.38Å; L278-I288 HydrophobicContact CD1-CD1 4.23Å; L278-I288 HydrophobicContact CD2-CD1 3.42Å; L278-I288 VanDerWaalsContact CD2-CD1 3.42Å; L278-I288 HydrophobicContact CG-CD1 3.64Å; L278-F297 HydrophobicContact CD2-CZ 4.21Å; L278-M323 HydrophobicContact CD1-CE 3.8Å; L278-M323 HydrophobicContact CD1-CG 4.46Å; L278-M323 HydrophobicContact CD1-SD 4.29Å
279F64.1Low61.6Low129 Ų12981.8 Ų81.857%0.56645%0.449SS*.Hα-helixtrans-73-17.4178.4-80.7-76.9000114.1F275 M285F275-F279 HydrophobicContact CD1-CD2 4.5Å; F275-F279 AromaticContact CD1-CE2 3.91Å; F275-F279 HydrophobicContact CD1-CE2 3.91Å; F275-F279 WeakPolarHBondContact O-CD2 3.09Å; F275-F279 PolarHBondContact O-N 3.44Å; F279-M285 HydrophobicContact CB-SD 4.49Å; F279-M285 HydrophobicContact CD1-CE 3.76Å; F279-M285 HydrophobicContact CD1-SD 3.28Å; F279-M285 WeakPolarHBondContact CD1-SD 3.43Å; F279-M285 HydrophobicContact CE1-CE 3.91Å; F279-M285 HydrophobicContact CE1-SD 3.7Å; F279-M285 HydrophobicContact CG-SD 4.14Å
280N66.1Low63.8Low130 Ų13078.2 Ų78.270%0.69542%0.423SS*.THydrogen-bonded Turntrans-88.11.7-178.1-79.2-35.5000114.2S276 L278S276-N280 PolarHBondContact O-ND2 2.93Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.98Å
281D70.1Confident65.4Low24 Ų2480.4 Ų80.413%0.12843%0.427CS..  trans-114105.9178.2-175-36.2000109.4E283 L284 M285 R326D281-E283 PolarHBondContact O-N 3.29Å; D281-E283 VanDerWaalsContact O-N 3.15Å; D281-E283 WeakPolarHBondContact OD1-CB 3.47Å; D281-E283 PolarHBondContact OD1-N 2.97Å; D281-L284 HydrophobicContact CB-CB 3.94Å; D281-L284 HydrophobicContact CB-CD1 3.79Å; D281-L284 HydrophobicContact CB-CG 4.25Å; D281-L284 PolarHBondContact O-N 3.02Å; D281-L284 PolarHBondContact OD1-N 3.32Å; D281-M285 PolarHBondContact O-N 3.47Å; D281-R326 IonicContact OD2-NH2 3.36Å; D281-R326 PolarHBondContact OD2-NH2 2.81Å
282P73.1Confident67.1Low107 Ų10780.3 Ų80.370%0.69543%0.425SS*.Hα-helixtrans-55.8-32.3-177.4-26.333.8000113.4S286P282-S286 WeakPolarHBondContact O-CB 3.23Å; P282-S286 PolarHBondContact O-N 3.41Å; P282-S286 PolarHBondContact O-OG 2.94Å
283E73.1Confident69.1Low117 Ų11774.4 Ų74.455%0.54739%0.394SS..Hα-helixtrans-76.4-35.5178.7-66.7-167.4140.100111.7D281 S286 A287 K322D281-E283 PolarHBondContact O-N 3.29Å; D281-E283 VanDerWaalsContact O-N 3.15Å; D281-E283 WeakPolarHBondContact OD1-CB 3.47Å; D281-E283 PolarHBondContact OD1-N 2.97Å; E283-S286 PolarHBondContact O-OG 3.12Å; E283-A287 WeakPolarHBondContact O-CB 3.47Å; E283-A287 PolarHBondContact O-N 3.37Å; E283-A287 VanDerWaalsContact O-N 3.08Å; E283-K322 IonicContact OE2-NZ 3.25Å; E283-K322 PolarHBondContact OE2-NZ 3.27Å
284L72.1Confident70.5Confident6 Ų674.6 Ų74.63%0.03139%0.392CS..Hα-helixtrans-68.3-38.6172-85.3161.3000111.7L278 D281 A287 I288 V319 M323L278-L284 HydrophobicContact CD1-CD1 4.33Å; L278-L284 HydrophobicContact CD1-CD2 4.38Å; D281-L284 HydrophobicContact CB-CB 3.94Å; D281-L284 HydrophobicContact CB-CD1 3.79Å; D281-L284 HydrophobicContact CB-CG 4.25Å; D281-L284 PolarHBondContact O-N 3.02Å; D281-L284 PolarHBondContact OD1-N 3.32Å; L284-A287 PolarHBondContact O-N 3.45Å; L284-I288 WeakPolarHBondContact O-CB 3.34Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.49Å; L284-I288 PolarHBondContact O-N 3.09Å; L284-V319 HydrophobicContact CD2-CG1 3.9Å; L284-M323 HydrophobicContact CD2-CE 4.42Å
285M73.4Confident72.1Confident53 Ų5376.8 Ų76.826%0.26140%0.399SS..Hα-helixtrans-60.5-47.9174.2-81-62.5-67.900111.9F279 D281 A287 I288 Q289F279-M285 HydrophobicContact CB-SD 4.49Å; F279-M285 HydrophobicContact CD1-CE 3.76Å; F279-M285 HydrophobicContact CD1-SD 3.28Å; F279-M285 WeakPolarHBondContact CD1-SD 3.43Å; F279-M285 HydrophobicContact CE1-CE 3.91Å; F279-M285 HydrophobicContact CE1-SD 3.7Å; F279-M285 HydrophobicContact CG-SD 4.14Å; D281-M285 PolarHBondContact O-N 3.47Å; M285-A287 PolarHBondContact O-N 2.9Å; M285-I288 PolarHBondContact O-N 2.98Å; M285-Q289 WeakPolarHBondContact O-CG 3.18Å; M285-Q289 PolarHBondContact O-N 3.13Å; M285-Q289 VanDerWaalsContact O-N 3.13Å
286S78.6Confident73.3Confident72 Ų7271.8 Ų71.850%0.50338%0.378SS..Hα-helixtrans-61.7-33.8176.172.70000112.5P282 E283P282-S286 WeakPolarHBondContact O-CB 3.23Å; P282-S286 PolarHBondContact O-N 3.41Å; P282-S286 PolarHBondContact O-OG 2.94Å; E283-S286 PolarHBondContact O-OG 3.12Å
287A73.9Confident74.4Confident25 Ų2571.8 Ų71.821%0.20737%0.371CS..Hα-helixtrans-76.7-36.3179.400000112.5E283 L284 M285 Q289 D290 V293 V319E283-A287 WeakPolarHBondContact O-CB 3.47Å; E283-A287 PolarHBondContact O-N 3.37Å; E283-A287 VanDerWaalsContact O-N 3.08Å; L284-A287 PolarHBondContact O-N 3.45Å; M285-A287 PolarHBondContact O-N 2.9Å; A287-Q289 VanDerWaalsContact C-N 3.29Å; A287-Q289 PolarHBondContact O-N 3.06Å; A287-D290 WeakPolarHBondContact O-CB 3.45Å; A287-D290 PolarHBondContact O-N 3.36Å; A287-V293 WeakPolarHBondContact O-CB 3.46Å; A287-V293 VanDerWaalsContact O-CG1 3.25Å; A287-V293 WeakPolarHBondContact O-CG1 3.47Å; A287-V293 WeakPolarHBondContact O-CG2 3.32Å; A287-V319 HydrophobicContact CB-CG2 3.42Å; A287-V319 VanDerWaalsContact CB-CG2 3.42Å
288I72.2Confident75.5Confident28 Ų2869.9 Ų69.914%0.14437%0.37CS..Hα-helixtrans-72.6-23.8178-70.3165.7000111.9L278 L284 M285 D290L278-I288 HydrophobicContact CD1-CD1 4.23Å; L278-I288 HydrophobicContact CD2-CD1 3.42Å; L278-I288 VanDerWaalsContact CD2-CD1 3.42Å; L278-I288 HydrophobicContact CG-CD1 3.64Å; L284-I288 WeakPolarHBondContact O-CB 3.34Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.49Å; L284-I288 PolarHBondContact O-N 3.09Å; M285-I288 PolarHBondContact O-N 2.98Å; I288-D290 PolarHBondContact O-N 2.79Å
289Q74.2Confident76.5Confident144 Ų14471.7 Ų71.767%0.67338%0.378SS*.THydrogen-bonded Turntrans-69.2-15.1171.3-74174.1-1.900113.5M285 A287 P291M285-Q289 WeakPolarHBondContact O-CG 3.18Å; M285-Q289 PolarHBondContact O-N 3.13Å; M285-Q289 VanDerWaalsContact O-N 3.13Å; A287-Q289 VanDerWaalsContact C-N 3.29Å; A287-Q289 PolarHBondContact O-N 3.06Å; Q289-P291 WeakPolarHBondContact O-CD 3.45Å
290D81.6Confident77.2Confident40 Ų4066.9 Ų66.921%0.21436%0.359CS..SBendtrans-72.3120.7172.3-172.6-51.9000109.5A287 I288 E292 V293 M294 K315A287-D290 WeakPolarHBondContact O-CB 3.45Å; A287-D290 PolarHBondContact O-N 3.36Å; I288-D290 PolarHBondContact O-N 2.79Å; D290-E292 PolarHBondContact O-N 3.49Å; D290-E292 VanDerWaalsContact O-N 3.12Å; D290-E292 VanDerWaalsContact OD1-CB 3.28Å; D290-E292 WeakPolarHBondContact OD1-CB 3.29Å; D290-E292 PolarHBondContact OD1-N 3.49Å; D290-V293 HydrophobicContact CB-CB 4.09Å; D290-V293 HydrophobicContact CB-CG2 3.83Å; D290-V293 PolarHBondContact O-N 3.23Å; D290-M294 PolarHBondContact O-N 3.34Å; D290-K315 IonicContact OD1-NZ 3.39Å; D290-K315 WeakPolarHBondContact OD2-CD 3.46Å; D290-K315 WeakPolarHBondContact OD2-CE 3.49Å; D290-K315 IonicContact OD2-NZ 2.59Å; D290-K315 PolarHBondContact OD2-NZ 3.39Å
291P81.8Confident77.7Confident105 Ų10564.6 Ų64.668%0.68235%0.352SS*.Hα-helixtrans-55.9-31.6-177.9-26.434.5000114.1Q289 K295Q289-P291 WeakPolarHBondContact O-CD 3.45Å; P291-K295 WeakPolarHBondContact O-CB 3.38Å; P291-K295 PolarHBondContact O-N 3.39Å
292E80.8Confident78.1Confident102 Ų10268.2 Ų68.248%0.47738%0.38SS..Hα-helixtrans-71.2-38.8178-59-179.2145.200111.3D290 A296 K315D290-E292 PolarHBondContact O-N 3.49Å; D290-E292 VanDerWaalsContact O-N 3.12Å; D290-E292 VanDerWaalsContact OD1-CB 3.28Å; D290-E292 WeakPolarHBondContact OD1-CB 3.29Å; D290-E292 PolarHBondContact OD1-N 3.49Å; E292-A296 WeakPolarHBondContact O-CB 3.4Å; E292-A296 PolarHBondContact O-N 3.43Å; E292-A296 VanDerWaalsContact O-N 3.12Å; E292-K315 IonicContact OE2-NZ 2.75Å; E292-K315 PolarHBondContact OE2-NZ 3.23Å
293V82.5Confident78.4Confident3 Ų367.1 Ų67.12%0.01837%0.368CS..Hα-helixtrans-72.3-41.7178.6176.70000110.7A287 D290 K295 A296 F297 K315 V316 V319A287-V293 WeakPolarHBondContact O-CB 3.46Å; A287-V293 VanDerWaalsContact O-CG1 3.25Å; A287-V293 WeakPolarHBondContact O-CG1 3.47Å; A287-V293 WeakPolarHBondContact O-CG2 3.32Å; D290-V293 HydrophobicContact CB-CB 4.09Å; D290-V293 HydrophobicContact CB-CG2 3.83Å; D290-V293 PolarHBondContact O-N 3.23Å; V293-K295 VanDerWaalsContact C-N 3.35Å; V293-K295 PolarHBondContact O-N 2.9Å; V293-A296 PolarHBondContact O-N 3.3Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.31Å; V293-F297 PolarHBondContact O-N 2.89Å; V293-K315 HydrophobicContact CG2-CB 3.8Å; V293-V316 HydrophobicContact CG2-CG2 4.45Å; V293-V319 HydrophobicContact CG1-CB 4.36Å; V293-V319 HydrophobicContact CG1-CG1 4.37Å; V293-V319 HydrophobicContact CG1-CG2 3.88Å
294M80.9Confident78.7Confident113 Ų11366.6 Ų66.656%0.55738%0.375SS*.Hα-helixtrans-61-44.5177.6-169.1-178.3-122.300111.6D290 F297 S298D290-M294 PolarHBondContact O-N 3.34Å; M294-F297 PolarHBondContact O-N 2.88Å; M294-S298 WeakPolarHBondContact O-CB 3.47Å; M294-S298 PolarHBondContact O-N 3.45Å
295K84Confident79.2Confident133 Ų13369.4 Ų69.458%0.57840%0.399SS*.Hα-helixtrans-62.1-45.9175.9-174.1178.2179.3-179.90111.6P291 V293 F297 S298 E299P291-K295 WeakPolarHBondContact O-CB 3.38Å; P291-K295 PolarHBondContact O-N 3.39Å; V293-K295 VanDerWaalsContact C-N 3.35Å; V293-K295 PolarHBondContact O-N 2.9Å; K295-F297 VanDerWaalsContact C-N 3.35Å; K295-F297 PolarHBondContact O-N 3.04Å; K295-S298 PolarHBondContact O-N 2.78Å; K295-E299 WeakPolarHBondContact CE-OE1 3.45Å; K295-E299 PolarHBondContact O-N 3.1Å
296A83.4Confident79.6Confident0 Ų067 Ų670%039%0.387CS..Hα-helixtrans-63.4-41.2178.100000112.5E292 V293 E299 V300 Y310 V316E292-A296 WeakPolarHBondContact O-CB 3.4Å; E292-A296 PolarHBondContact O-N 3.43Å; E292-A296 VanDerWaalsContact O-N 3.12Å; V293-A296 PolarHBondContact O-N 3.3Å; A296-E299 PolarHBondContact O-N 3.43Å; A296-V300 WeakPolarHBondContact O-CB 3.37Å; A296-V300 VanDerWaalsContact O-CG2 3.23Å; A296-V300 WeakPolarHBondContact O-CG2 3.39Å; A296-V300 PolarHBondContact O-N 3.44Å; A296-Y310 HydrophobicContact CB-CD1 3.47Å; A296-Y310 VanDerWaalsContact CB-CD1 3.47Å; A296-Y310 HydrophobicContact CB-CD2 3.88Å; A296-Y310 HydrophobicContact CB-CE1 3.44Å; A296-Y310 VanDerWaalsContact CB-CE1 3.44Å; A296-Y310 HydrophobicContact CB-CE2 3.88Å; A296-Y310 HydrophobicContact CB-CG 3.7Å; A296-V316 HydrophobicContact CB-CB 4.19Å; A296-V316 HydrophobicContact CB-CG1 3.62Å; A296-V316 HydrophobicContact CB-CG2 3.41Å; A296-V316 VanDerWaalsContact CB-CG2 3.41Å
297F79.5Confident79.6Confident52 Ų5266.1 Ų66.123%0.22838%0.376CS..Hα-helixtrans-63.1-45.1177.5-175-106.2000111.6L278 V293 M294 K295 V300 C301 M323L278-F297 HydrophobicContact CD2-CZ 4.21Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.31Å; V293-F297 PolarHBondContact O-N 2.89Å; M294-F297 PolarHBondContact O-N 2.88Å; K295-F297 VanDerWaalsContact C-N 3.35Å; K295-F297 PolarHBondContact O-N 3.04Å; F297-V300 PolarHBondContact O-N 2.87Å; F297-C301 WeakPolarHBondContact O-CB 3.4Å; F297-C301 PolarHBondContact O-N 3.06Å; F297-C301 PolarHBondContact O-SG 3Å; F297-M323 HydrophobicContact CD2-CE 3.62Å; F297-M323 HydrophobicContact CE2-CE 3.23Å; F297-M323 HydrophobicContact CE2-SD 3.8Å; F297-M323 HydrophobicContact CZ-CE 4.17Å
298S80.1Confident80Confident70 Ų7069.6 Ų69.649%0.4939%0.391SS..Hα-helixtrans-61.6-44.8175.8-179.50000112.4M294 K295 S302M294-S298 WeakPolarHBondContact O-CB 3.47Å; M294-S298 PolarHBondContact O-N 3.45Å; K295-S298 PolarHBondContact O-N 2.78Å; S298-S302 WeakPolarHBondContact O-CB 3.49Å; S298-S302 PolarHBondContact O-N 3.34Å; S298-S302 PolarHBondContact O-OG 2.9Å
299E81.3Confident80.7Confident52 Ų5275.3 Ų75.324%0.24342%0.415CS..Hα-helixtrans-66.1-41.1178.1-77.1-171.9-159.800112.6K295 A296 S302 N303 A306 K309 Y310K295-E299 WeakPolarHBondContact CE-OE1 3.45Å; K295-E299 PolarHBondContact O-N 3.1Å; A296-E299 PolarHBondContact O-N 3.43Å; E299-S302 PolarHBondContact O-N 3.2Å; E299-N303 PolarHBondContact O-N 3.48Å; E299-A306 HydrophobicContact CB-CB 4.03Å; E299-K309 IonicContact OE2-NZ 3.38Å; E299-K309 PolarHBondContact OE2-NZ 3.48Å; E299-Y310 HydrophobicContact CB-CE2 4.11Å; E299-Y310 PolarHBondContact OE1-OH 2.82Å; E299-Y310 PolarHBondContact OE2-OH 2.95Å
300V78.8Confident81.3Confident28 Ų2869.9 Ų69.917%0.1739%0.388CS..Hα-helixtrans-68.3-41.3177.9164.30000111.9A296 F297 S302 N303 M307 Y310A296-V300 WeakPolarHBondContact O-CB 3.37Å; A296-V300 VanDerWaalsContact O-CG2 3.23Å; A296-V300 WeakPolarHBondContact O-CG2 3.39Å; A296-V300 PolarHBondContact O-N 3.44Å; F297-V300 PolarHBondContact O-N 2.87Å; V300-S302 VanDerWaalsContact C-N 3.3Å; V300-S302 PolarHBondContact O-N 2.97Å; V300-N303 CarbonylContact O-C 3.59Å; V300-N303 VanDerWaalsContact O-C 3.27Å; V300-N303 PolarHBondContact O-N 3Å; V300-M307 HydrophobicContact CB-CE 4.11Å; V300-M307 HydrophobicContact CG1-CE 3.34Å; V300-M307 HydrophobicContact CG2-CB 4.46Å; V300-M307 HydrophobicContact CG2-CE 3.58Å; V300-Y310 HydrophobicContact CG2-CD2 4.24Å
301C75.6Confident81.3Confident82 Ų8273.6 Ų73.655%0.55440%0.402SS*.Hα-helixtrans-65.7-35.7177.6-71.60000111.9F297F297-C301 WeakPolarHBondContact O-CB 3.4Å; F297-C301 PolarHBondContact O-N 3.06Å; F297-C301 PolarHBondContact O-SG 3Å
302S79.1Confident81.5Confident100 Ų10076.3 Ų76.370%0.69941%0.411SS*.Hα-helixtrans-81.9-28.7179.1-530000112.7S298 E299 V300S298-S302 WeakPolarHBondContact O-CB 3.49Å; S298-S302 PolarHBondContact O-N 3.34Å; S298-S302 PolarHBondContact O-OG 2.9Å; E299-S302 PolarHBondContact O-N 3.2Å; V300-S302 VanDerWaalsContact C-N 3.3Å; V300-S302 PolarHBondContact O-N 2.97Å
303N79.9Confident81.7Confident85 Ų8573 Ų7346%0.45540%0.397SS..  trans-149102.3-178.6-178.13.4000110.4E299 V300 A305 A306E299-N303 PolarHBondContact O-N 3.48Å; V300-N303 CarbonylContact O-C 3.59Å; V300-N303 VanDerWaalsContact O-C 3.27Å; V300-N303 PolarHBondContact O-N 3Å; N303-A305 PolarHBondContact O-N 3.46Å; N303-A305 VanDerWaalsContact OD1-CB 3.32Å; N303-A305 WeakPolarHBondContact OD1-CB 3.3Å; N303-A305 PolarHBondContact OD1-N 3.29Å; N303-A305 VanDerWaalsContact OD1-N 3.1Å; N303-A306 HydrophobicContact CB-CB 4.36Å; N303-A306 WeakPolarHBondContact O-CB 3.24Å; N303-A306 PolarHBondContact O-N 2.93Å
304P78.6Confident81.8Confident106 Ų10677.8 Ų77.869%0.68843%0.428SS*.G310 helixtrans-55.5-25.5178.4-28.135.5000114.4A306 M307P304-A306 PolarHBondContact O-N 3.27Å; P304-M307 WeakPolarHBondContact O-CB 3.19Å; P304-M307 PolarHBondContact O-N 3.1Å
305A83.3Confident81.8Confident64 Ų6476.8 Ų76.853%0.52942%0.421SS..G310 helixtrans-71.3-17.2175.300000113.3N303 M307 D308N303-A305 PolarHBondContact O-N 3.46Å; N303-A305 VanDerWaalsContact OD1-CB 3.32Å; N303-A305 WeakPolarHBondContact OD1-CB 3.3Å; N303-A305 PolarHBondContact OD1-N 3.29Å; N303-A305 VanDerWaalsContact OD1-N 3.1Å; A305-M307 PolarHBondContact O-N 3.44Å; A305-D308 PolarHBondContact O-N 3.26Å
306A81.2Confident81.8Confident3 Ų370.7 Ų70.73%0.02540%0.395CS..G310 helixtrans-67.4-14.6175.200000112.8E299 N303 P304 D308 K309 Y310E299-A306 HydrophobicContact CB-CB 4.03Å; N303-A306 HydrophobicContact CB-CB 4.36Å; N303-A306 WeakPolarHBondContact O-CB 3.24Å; N303-A306 PolarHBondContact O-N 2.93Å; P304-A306 PolarHBondContact O-N 3.27Å; A306-D308 PolarHBondContact O-N 3.48Å; A306-K309 WeakPolarHBondContact O-CB 3.08Å; A306-K309 PolarHBondContact O-N 2.86Å; A306-Y310 VanDerWaalsContact O-CD2 3.29Å; A306-Y310 WeakPolarHBondContact O-CD2 3.14Å
307M78.5Confident81.7Confident53 Ų5374.2 Ų74.226%0.26141%0.412SS..Hα-helixtrans-54.2-35.3175.4-171.8130.4-63.700112.3V300 P304 A305 K309 Y310 K311 I320V300-M307 HydrophobicContact CB-CE 4.11Å; V300-M307 HydrophobicContact CG1-CE 3.34Å; V300-M307 HydrophobicContact CG2-CB 4.46Å; V300-M307 HydrophobicContact CG2-CE 3.58Å; P304-M307 WeakPolarHBondContact O-CB 3.19Å; P304-M307 PolarHBondContact O-N 3.1Å; A305-M307 PolarHBondContact O-N 3.44Å; M307-K309 PolarHBondContact O-N 2.91Å; M307-Y310 PolarHBondContact O-N 3.36Å; M307-K311 PolarHBondContact O-N 3.38Å; M307-I320 HydrophobicContact CE-CD1 3.29Å; M307-I320 HydrophobicContact CE-CG1 3.89Å; M307-I320 HydrophobicContact CE-CG2 4.25Å; M307-I320 HydrophobicContact SD-CD1 4.08Å; M307-I320 HydrophobicContact SD-CG2 4.26Å
308D83.7Confident81.8Confident99 Ų9978.1 Ų78.153%0.52943%0.429SS..Hα-helixtrans-59.2-31.3179.1-73.2-21.1000113.1A305 A306 Y310 K311A305-D308 PolarHBondContact O-N 3.26Å; A306-D308 PolarHBondContact O-N 3.48Å; D308-Y310 VanDerWaalsContact C-N 3.27Å; D308-Y310 PolarHBondContact O-N 3.1Å; D308-K311 WeakPolarHBondContact OD1-CE 3.35Å; D308-K311 IonicContact OD1-NZ 2.56Å; D308-K311 PolarHBondContact OD1-NZ 3.37Å
309K85.6Confident81.7Confident148 Ų14875.1 Ų75.164%0.64341%0.408SS*.Hα-helixtrans-68.4-27.7178.2-59.8178.4179.9176.60112.7E299 A306 M307E299-K309 IonicContact OE2-NZ 3.38Å; E299-K309 PolarHBondContact OE2-NZ 3.48Å; A306-K309 WeakPolarHBondContact O-CB 3.08Å; A306-K309 PolarHBondContact O-N 2.86Å; M307-K309 PolarHBondContact O-N 2.91Å
310Y86.3Confident81.4Confident29 Ų2974.6 Ų74.611%0.11441%0.406CS..Hα-helixtrans-108.42.9-172.1-58-74000113.8A296 E299 V300 A306 M307 D308 N312 N313 V316A296-Y310 HydrophobicContact CB-CD1 3.47Å; A296-Y310 VanDerWaalsContact CB-CD1 3.47Å; A296-Y310 HydrophobicContact CB-CD2 3.88Å; A296-Y310 HydrophobicContact CB-CE1 3.44Å; A296-Y310 VanDerWaalsContact CB-CE1 3.44Å; A296-Y310 HydrophobicContact CB-CE2 3.88Å; A296-Y310 HydrophobicContact CB-CG 3.7Å; E299-Y310 HydrophobicContact CB-CE2 4.11Å; E299-Y310 PolarHBondContact OE1-OH 2.82Å; E299-Y310 PolarHBondContact OE2-OH 2.95Å; V300-Y310 HydrophobicContact CG2-CD2 4.24Å; A306-Y310 VanDerWaalsContact O-CD2 3.29Å; A306-Y310 WeakPolarHBondContact O-CD2 3.14Å; M307-Y310 PolarHBondContact O-N 3.36Å; D308-Y310 VanDerWaalsContact C-N 3.27Å; D308-Y310 PolarHBondContact O-N 3.1Å; Y310-N312 PolarHBondContact O-N 2.97Å; Y310-N312 VanDerWaalsContact O-N 3.07Å; Y310-N313 PolarHBondContact O-N 3.44Å; Y310-V316 HydrophobicContact CD1-CG2 4.13Å; Y310-V316 HydrophobicContact CG-CG1 4.15Å
311K82.1Confident81.2Confident118 Ų11879 Ų7951%0.51343%0.425SS..THydrogen-bonded Turntrans-52.4-31.7177.4-79.2178.9169.3171.60113.8M307 D308M307-K311 PolarHBondContact O-N 3.38Å; D308-K311 WeakPolarHBondContact OD1-CE 3.35Å; D308-K311 IonicContact OD1-NZ 2.56Å; D308-K311 PolarHBondContact OD1-NZ 3.37Å
312N85.6Confident81.1Confident162 Ų16277.6 Ų77.687%0.86641%0.409SS*.THydrogen-bonded Turntrans-97.41-179.7-62.5-25.7000113.5Y310 P314Y310-N312 PolarHBondContact O-N 2.97Å; Y310-N312 VanDerWaalsContact O-N 3.07Å; N312-P314 VanDerWaalsContact O-CD 3.31Å; N312-P314 WeakPolarHBondContact O-CD 3.47Å
313N85Confident80.6Confident34 Ų3474.2 Ų74.218%0.18238%0.382CS..  trans-91.9108.1177.8-173.4-33.6000109.6Y310 K315 V316 M317Y310-N313 PolarHBondContact O-N 3.44Å; N313-K315 VanDerWaalsContact C-N 3.27Å; N313-K315 PolarHBondContact O-N 2.9Å; N313-K315 WeakPolarHBondContact OD1-CB 3.47Å; N313-K315 PolarHBondContact OD1-N 2.91Å; N313-V316 HydrophobicContact CB-CB 4.08Å; N313-V316 HydrophobicContact CB-CG2 3.96Å; N313-V316 PolarHBondContact O-N 3.41Å; N313-V316 PolarHBondContact OD1-N 3.14Å; N313-M317 WeakPolarHBondContact O-CG 3.45Å; N313-M317 PolarHBondContact O-N 3.16Å
314P84.7Confident80.2Confident102 Ų10277.1 Ų77.166%0.66239%0.391SS*.Hα-helixtrans-64.4-30.8-174.925.3-33.7000112.9N312 K318N312-P314 VanDerWaalsContact O-CD 3.31Å; N312-P314 WeakPolarHBondContact O-CD 3.47Å; P314-K318 WeakPolarHBondContact O-CB 3.3Å; P314-K318 PolarHBondContact O-N 2.64Å; P314-K318 VanDerWaalsContact O-N 3.11Å
315K81.8Confident79.7Confident93 Ų9377.6 Ų77.640%0.40439%0.388SS..Hα-helixtrans-68.1-45178.2-61178.4178.71760111.1D290 E292 V293 N313 V319D290-K315 IonicContact OD1-NZ 3.39Å; D290-K315 WeakPolarHBondContact OD2-CD 3.46Å; D290-K315 WeakPolarHBondContact OD2-CE 3.49Å; D290-K315 IonicContact OD2-NZ 2.59Å; D290-K315 PolarHBondContact OD2-NZ 3.39Å; E292-K315 IonicContact OE2-NZ 2.75Å; E292-K315 PolarHBondContact OE2-NZ 3.23Å; V293-K315 HydrophobicContact CG2-CB 3.8Å; N313-K315 VanDerWaalsContact C-N 3.27Å; N313-K315 PolarHBondContact O-N 2.9Å; N313-K315 WeakPolarHBondContact OD1-CB 3.47Å; N313-K315 PolarHBondContact OD1-N 2.91Å; K315-V319 PolarHBondContact O-N 2.95Å
316V83.1Confident78.6Confident5 Ų582.5 Ų82.53%0.0339%0.393CS..Hα-helixtrans-69.4-43.3179.9-179.90000111.1V293 A296 Y310 N313 K318 V319 I320V293-V316 HydrophobicContact CG2-CG2 4.45Å; A296-V316 HydrophobicContact CB-CB 4.19Å; A296-V316 HydrophobicContact CB-CG1 3.62Å; A296-V316 HydrophobicContact CB-CG2 3.41Å; A296-V316 VanDerWaalsContact CB-CG2 3.41Å; Y310-V316 HydrophobicContact CD1-CG2 4.13Å; Y310-V316 HydrophobicContact CG-CG1 4.15Å; N313-V316 HydrophobicContact CB-CB 4.08Å; N313-V316 HydrophobicContact CB-CG2 3.96Å; N313-V316 PolarHBondContact O-N 3.41Å; N313-V316 PolarHBondContact OD1-N 3.14Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 3.03Å; V316-V319 PolarHBondContact O-N 2.93Å; V316-I320 HydrophobicContact CG1-CD1 3.66Å; V316-I320 HydrophobicContact CG1-CG1 4.38Å; V316-I320 WeakPolarHBondContact O-CG1 3.3Å; V316-I320 PolarHBondContact O-N 2.96Å
317M81.4Confident77.5Confident74 Ų7486.7 Ų86.737%0.36541%0.411SS..Hα-helixtrans-62.8-39178.3-73.5-60.9-65.800112.5N313 V319 I320 E321N313-M317 WeakPolarHBondContact O-CG 3.45Å; N313-M317 PolarHBondContact O-N 3.16Å; M317-V319 VanDerWaalsContact C-N 3.26Å; M317-V319 PolarHBondContact O-N 3.19Å; M317-I320 PolarHBondContact O-N 3.4Å; M317-I320 HydrophobicContact SD-CD1 4.29Å; M317-E321 VanDerWaalsContact O-CB 3.29Å; M317-E321 WeakPolarHBondContact O-CB 3.04Å; M317-E321 PolarHBondContact O-N 3.07Å
318K81.8Confident76.4Confident134 Ų13488.9 Ų88.958%0.58343%0.431SS*.Hα-helixtrans-60.3-36.1175.4-169.9178.3-177.5-176.20112.4P314 V316 K322P314-K318 WeakPolarHBondContact O-CB 3.3Å; P314-K318 PolarHBondContact O-N 2.64Å; P314-K318 VanDerWaalsContact O-N 3.11Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 3.03Å; K318-K322 WeakPolarHBondContact O-CG 3.25Å; K318-K322 PolarHBondContact O-N 3.22Å
319V78.5Confident74.5Confident7 Ų787 Ų874%0.04244%0.436CS..Hα-helixtrans-74.2-44.5177.7171.80000111.6L284 A287 V293 K315 V316 M317 E321 K322 M323L284-V319 HydrophobicContact CD2-CG1 3.9Å; A287-V319 HydrophobicContact CB-CG2 3.42Å; A287-V319 VanDerWaalsContact CB-CG2 3.42Å; V293-V319 HydrophobicContact CG1-CB 4.36Å; V293-V319 HydrophobicContact CG1-CG1 4.37Å; V293-V319 HydrophobicContact CG1-CG2 3.88Å; K315-V319 PolarHBondContact O-N 2.95Å; V316-V319 PolarHBondContact O-N 2.93Å; M317-V319 VanDerWaalsContact C-N 3.26Å; M317-V319 PolarHBondContact O-N 3.19Å; V319-E321 PolarHBondContact O-N 3.36Å; V319-K322 PolarHBondContact O-N 3.49Å; V319-M323 HydrophobicContact CG1-CE 3.47Å; V319-M323 VanDerWaalsContact CG1-CE 3.47Å; V319-M323 WeakPolarHBondContact O-CG 3.28Å; V319-M323 PolarHBondContact O-N 3.22Å
320I74.8Confident72.1Confident40 Ų4084.1 Ų84.121%0.20545%0.447CS..Hα-helixtrans-62.7-42.2177-66.5160.4000111.3M307 V316 M317 M323 K324M307-I320 HydrophobicContact CE-CD1 3.29Å; M307-I320 HydrophobicContact CE-CG1 3.89Å; M307-I320 HydrophobicContact CE-CG2 4.25Å; M307-I320 HydrophobicContact SD-CD1 4.08Å; M307-I320 HydrophobicContact SD-CG2 4.26Å; V316-I320 HydrophobicContact CG1-CD1 3.66Å; V316-I320 HydrophobicContact CG1-CG1 4.38Å; V316-I320 WeakPolarHBondContact O-CG1 3.3Å; V316-I320 PolarHBondContact O-N 2.96Å; M317-I320 PolarHBondContact O-N 3.4Å; M317-I320 HydrophobicContact SD-CD1 4.29Å; I320-M323 PolarHBondContact O-N 2.84Å; I320-K324 WeakPolarHBondContact O-CB 3.44Å; I320-K324 PolarHBondContact O-N 2.79Å
321E75.1Confident69.6Low122 Ų12286.3 Ų86.357%0.5748%0.479SS*.Hα-helixtrans-63.3-42.5179.3-172.5173.8-166.400111.6M317 V319 M323 K324 N325M317-E321 VanDerWaalsContact O-CB 3.29Å; M317-E321 WeakPolarHBondContact O-CB 3.04Å; M317-E321 PolarHBondContact O-N 3.07Å; V319-E321 PolarHBondContact O-N 3.36Å; E321-M323 PolarHBondContact O-N 2.83Å; E321-K324 PolarHBondContact O-N 3.43Å; E321-N325 VanDerWaalsContact O-CG 3.3Å; E321-N325 PolarHBondContact O-N 3.08Å
322K73.5Confident67.4Low52 Ų5289.6 Ų89.623%0.22650%0.498CS..Hα-helixtrans-61.7-41.1173.1-81-175.3172.4-168.60112.9E283 K318 V319 R326E283-K322 IonicContact OE2-NZ 3.25Å; E283-K322 PolarHBondContact OE2-NZ 3.27Å; K318-K322 WeakPolarHBondContact O-CG 3.25Å; K318-K322 PolarHBondContact O-N 3.22Å; V319-K322 PolarHBondContact O-N 3.49Å; K322-R326 WeakPolarHBondContact O-CG 3.32Å; K322-R326 PolarHBondContact O-N 3.08Å
323M68.9Low65.3Low28 Ų2887.3 Ų87.314%0.13849%0.493CS..Hα-helixtrans-64.8-47.3174.3-72.2-170-148.400111.3L278 L284 F297 V319 I320 E321 N325 R326 F327L278-M323 HydrophobicContact CD1-CE 3.8Å; L278-M323 HydrophobicContact CD1-CG 4.46Å; L278-M323 HydrophobicContact CD1-SD 4.29Å; L284-M323 HydrophobicContact CD2-CE 4.42Å; F297-M323 HydrophobicContact CD2-CE 3.62Å; F297-M323 HydrophobicContact CE2-CE 3.23Å; F297-M323 HydrophobicContact CE2-SD 3.8Å; F297-M323 HydrophobicContact CZ-CE 4.17Å; V319-M323 HydrophobicContact CG1-CE 3.47Å; V319-M323 VanDerWaalsContact CG1-CE 3.47Å; V319-M323 WeakPolarHBondContact O-CG 3.28Å; V319-M323 PolarHBondContact O-N 3.22Å; I320-M323 PolarHBondContact O-N 2.84Å; E321-M323 PolarHBondContact O-N 2.83Å; M323-N325 VanDerWaalsContact C-N 3.28Å; M323-N325 PolarHBondContact O-N 3.49Å; M323-R326 PolarHBondContact O-N 2.94Å; M323-F327 HydrophobicContact CB-CD2 4.11Å; M323-F327 HydrophobicContact CB-CE2 4.35Å; M323-F327 HydrophobicContact CG-CE2 4.45Å; M323-F327 WeakPolarHBondContact O-CD2 3.47Å; M323-F327 PolarHBondContact O-N 3.18Å
324K70.1Confident63Low146 Ų14689.7 Ų89.764%0.63553%0.525SS*.Hα-helixtrans-56.8-42.8179.5-172.4-178.3176.7-174.60111.7I320 E321 R326 S328I320-K324 WeakPolarHBondContact O-CB 3.44Å; I320-K324 PolarHBondContact O-N 2.79Å; E321-K324 PolarHBondContact O-N 3.43Å; K324-R326 VanDerWaalsContact C-N 3.28Å; K324-R326 PolarHBondContact O-N 3.17Å; K324-S328 WeakPolarHBondContact O-CB 3.31Å; K324-S328 PolarHBondContact O-N 3.01Å
325N68.3Low60.6Low117 Ų11788.5 Ų88.563%0.62653%0.531SS*.Hα-helixtrans-65.8-28.3177.9-71.2-11.6000113.2E321 M323E321-N325 VanDerWaalsContact O-CG 3.3Å; E321-N325 PolarHBondContact O-N 3.08Å; M323-N325 VanDerWaalsContact C-N 3.28Å; M323-N325 PolarHBondContact O-N 3.49Å
326R60.4Low58.4Low166 Ų16693.2 Ų93.263%0.62656%0.557SS**Hα-helixtrans-85.1-37.9177.6-73.8-87.4-145.6-173.73.5113.2D281 K322 M323 K324D281-R326 IonicContact OD2-NH2 3.36Å; D281-R326 PolarHBondContact OD2-NH2 2.81Å; K322-R326 WeakPolarHBondContact O-CG 3.32Å; K322-R326 PolarHBondContact O-N 3.08Å; M323-R326 PolarHBondContact O-N 2.94Å; K324-R326 VanDerWaalsContact C-N 3.28Å; K324-R326 PolarHBondContact O-N 3.17Å
327F58.2Low56.5Low91 Ų9198.7 Ų98.740%0.39959%0.593SS.*Hα-helixtrans-89.2-16-175.5-71.4-73.2000114M274 M323M274-F327 HydrophobicContact CB-CE1 4.43Å; M274-F327 HydrophobicContact CB-CZ 4.38Å; M274-F327 HydrophobicContact CE-CD1 4.22Å; M274-F327 HydrophobicContact CE-CD2 4.18Å; M274-F327 HydrophobicContact CE-CE1 3.97Å; M274-F327 HydrophobicContact CE-CE2 3.94Å; M274-F327 HydrophobicContact CE-CG 4.36Å; M274-F327 HydrophobicContact CE-CZ 3.85Å; M274-F327 HydrophobicContact CG-CE1 3.7Å; M274-F327 HydrophobicContact CG-CE2 4.27Å; M274-F327 HydrophobicContact CG-CZ 3.43Å; M274-F327 VanDerWaalsContact CG-CZ 3.43Å; M323-F327 HydrophobicContact CB-CD2 4.11Å; M323-F327 HydrophobicContact CB-CE2 4.35Å; M323-F327 HydrophobicContact CG-CE2 4.45Å; M323-F327 WeakPolarHBondContact O-CD2 3.47Å; M323-F327 PolarHBondContact O-N 3.18Å
328S55.3Low54.4Low99 Ų99105.4 Ų105.469%0.69262%0.62SS**SBendtrans-88.4-1176.5-176.10000114.4K324K324-S328 WeakPolarHBondContact O-CB 3.31Å; K324-S328 PolarHBondContact O-N 3.01Å
329G43.4Very low52.3Low61 Ų61102.3 Ų102.363%0.62963%0.626SS**  trans-112.215.3-168.900000116.9G331G329-G331 PolarHBondContact O-N 3.29Å
330G36.2Very low50.5Low86 Ų86111.7 Ų111.789%0.88767%0.672SS**  trans-76.877.4-172.400000115.6
331G33Very low48.7Very low76 Ų76113.7 Ų113.778%0.78470%0.702SS**  trans-102.1120.7160.600000110.7G329G329-G331 PolarHBondContact O-N 3.29Å
332M36.7Very low46.9Very low186 Ų186111.3 Ų111.392%0.91671%0.711SS**  trans-76.9174.2-170.1-124.1-159.8164.800113.9
333P40.8Very low45.6Very low115 Ų115114.1 Ų114.175%0.74774%0.744SS**  -117.6164.9-121.933.2-12.3000114
334G36.5Very low44.3Very low83 Ų83116 Ų11686%0.85677%0.769SS**  trans-174125.3171.300000114.9
335G34.6Very low43.1Very low77 Ų77118.4 Ų118.479%0.79478%0.781SS**  trans115.395.4155.600000116.2
336M36.2Very low42.1Very low192 Ų192119.7 Ų119.795%0.94679%0.787SS**  trans-66.3149.5146.5-79.8177.2171.800108.7
337P43.4Very low41.4Very low120 Ų120120 Ų12078%0.77980%0.798SS**  -151.3157.297.734.3-14.2000116.8
338F36.7Very low41.2Very low216 Ų216121.8 Ų121.895%0.94782%0.818SS**  trans-3.2144.8143.7-95.8-100.4000120.7
339G37.9Very low40.8Very low68 Ų68124 Ų12470%0.70182%0.823SS**  trans139.393.6153.900000112.6
340M40.4Very low41Very low205 Ų205130.3 Ų130.3100%1.0184%0.836SS**  70.712285-159.5175.8-173.500114.6
341G36.6Very low41.7Very low81 Ų81131 Ų13184%0.83583%0.827SS**  trans109.9125170.300000112.1
342G37.7Very low42.4Very low73 Ų73133.3 Ų133.375%0.75383%0.83SS**  cis135.2141.120.100000107.8
343A47.2Very low43.8Very low111 Ų111130 Ų13092%0.91782%0.822SS**  trans70.6130.9177.100000115.5
344G40Very low44.4Very low66 Ų66132.5 Ų132.568%0.6883%0.829SS**  cis116.2114.623.300000108
345F46Very low45.4Very low198 Ų198135.7 Ų135.787%0.86883%0.826SS**  trans-179.198.5158.6-124.5-94.5000107.7
346N47.6Very low46.4Very low143 Ų143143 Ų14377%0.76585%0.846SS**  68.7113.288.7-152.827000114.6
347M44.7Very low46.9Very low174 Ų174140.5 Ų140.586%0.85784%0.841SS**  trans-78.4161.4174.1-72.9-173.5179.100112
348P55Low47.1Very low127 Ų127141.6 Ų141.683%0.82585%0.845SS**  trans-107.6131.4150.718.7-0.3000112.8
349N46Very low47.7Very low146 Ų146137.4 Ų137.478%0.78184%0.839SS**  trans-53.4137.9171.3-165.112.8000113.9
350Q47.4Very low48.2Very low194 Ų194141.5 Ų141.591%0.90785%0.847SS**  trans-135.2116153.8-77.1-167.97.500109.9
351S51.6Low48.7Very low101 Ų101137.6 Ų137.671%0.70684%0.837SS**  trans-79.5137-176.644.10000113.2
352C48Very low49.5Very low123 Ų123141.3 Ų141.383%0.83184%0.837SS**  trans-84.7150.2155.5-65.40000110.1
353P65.9Low50.4Low116 Ų116146.2 Ų146.275%0.75384%0.843SS**  trans-110.2122.115832.9-19.9000110.8
354D52.2Low50.6Low168 Ų168148.9 Ų148.990%0.89884%0.837SS**  trans-97.1133.7152.9-76.4-43.9000107.3
355L58.2Low51.5Low151 Ų151155.8 Ų155.879%0.79185%0.851SS**  trans-120.1122.8171.6-85.6168.3000108.9
356D55.7Low52Low229 Ų229152 Ų152100%1.22585%0.849SS**  trans60.90157-59.2-29.5000121.4

Retrieved 356 of 356 residues in 156.7 ms (Link to these results)

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