A0A061I251_CRIGR Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A061I251, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tpst1, Length 370 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
1M58Low71.4Confident224 Ų224127.2 Ų127.2100%1.10366%0.662SS**  0-32.90-115.4176.5-81.800114
2V56.9Low72.5Confident104 Ų104120.3 Ų120.363%0.6364%0.637SS**Hα-helixtrans-70-31.3-176.1-178.90000114.7L5 K6V2-L5 PolarHBondContact O-N 3Å; V2-K6 PolarHBondContact O-N 3.45Å
3G66.2Low73.3Confident53 Ų53116.9 Ų116.955%0.54663%0.628SS.*Hα-helixtrans-67.9-42.7-17900000114.5L5 K6 Q7G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.15Å; G3-K6 PolarHBondContact O-N 3.15Å; G3-Q7 PolarHBondContact O-N 3.42Å; G3-Q7 VanDerWaalsContact O-N 3.12Å
4K65.8Low74.2Confident165 Ų165116.9 Ų116.972%0.71763%0.626SS**Hα-helixtrans-65.9-34177.1-76.3-176.2175.8-176.90112.2Q7 N8K4-Q7 PolarHBondContact O-N 2.96Å; K4-N8 WeakPolarHBondContact O-CB 3.12Å; K4-N8 PolarHBondContact O-N 3.42Å; K4-N8 PolarHBondContact O-ND2 3.49Å; K4-N8 PolarHBondContact O-OD1 3.15Å
5L71.8Confident75.2Confident126 Ų126114.7 Ų114.766%0.6662%0.619SS**Hα-helixtrans-67.6-42.8177.3-17067.7000111.9V2 G3 N8 L9V2-L5 PolarHBondContact O-N 3Å; G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.15Å; L5-N8 PolarHBondContact O-N 2.92Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 3.36Å
6K70.2Confident75.9Confident143 Ų143114.4 Ų114.462%0.62262%0.615SS**Hα-helixtrans-64.4-39.8175.6-75.3-172.6175-174.10112.4V2 G3 L9 L10V2-K6 PolarHBondContact O-N 3.45Å; G3-K6 PolarHBondContact O-N 3.15Å; K6-L9 PolarHBondContact O-N 3.2Å; K6-L10 PolarHBondContact O-N 3.08Å
7Q74.3Confident76.2Confident128 Ų128111.1 Ų111.160%0.59860%0.603SS**Hα-helixtrans-68.3-40.3179.3-165165.95.500112G3 K4 L10 L11G3-Q7 PolarHBondContact O-N 3.42Å; G3-Q7 VanDerWaalsContact O-N 3.12Å; K4-Q7 PolarHBondContact O-N 2.96Å; Q7-L10 PolarHBondContact O-N 3.15Å; Q7-L11 PolarHBondContact O-N 2.89Å
8N76.9Confident76.6Confident111 Ų111108.6 Ų108.659%0.59460%0.595SS**Hα-helixtrans-66.9-36.2174.8-69.6-6.7000112.3K4 L5 L11 A12K4-N8 WeakPolarHBondContact O-CB 3.12Å; K4-N8 PolarHBondContact O-N 3.42Å; K4-N8 PolarHBondContact O-ND2 3.49Å; K4-N8 PolarHBondContact O-OD1 3.15Å; L5-N8 PolarHBondContact O-N 2.92Å; N8-L11 PolarHBondContact O-N 3.48Å; N8-A12 WeakPolarHBondContact O-CB 3.37Å; N8-A12 PolarHBondContact O-N 3.48Å
9L81.1Confident77.1Confident117 Ų117107.6 Ų107.661%0.61359%0.592SS**Hα-helixtrans-68.1-41.8176.7-159.877.9000111.8L5 K6 L11 A12 C13L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 3.36Å; K6-L9 PolarHBondContact O-N 3.2Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-C13 PolarHBondContact O-N 3.06Å; L9-C13 PolarHBondContact O-SG 3.05Å; L9-C13 VanDerWaalsContact O-SG 3.39Å
10L81.2Confident77.4Confident118 Ų118105.7 Ų105.762%0.61858%0.584SS**Hα-helixtrans-61.8-41.9174.1-85.8159.3000111.7K6 Q7 C13 L14K6-L10 PolarHBondContact O-N 3.08Å; Q7-L10 PolarHBondContact O-N 3.15Å; L10-C13 PolarHBondContact O-N 3.41Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 2.69Å
11L82.9Confident77.7Confident110 Ų110105.7 Ų105.758%0.57659%0.587SS**Hα-helixtrans-62.5-44.3175.8-128.795.4000111.4Q7 N8 L9 L14 V15Q7-L11 PolarHBondContact O-N 2.89Å; N8-L11 PolarHBondContact O-N 3.48Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.27Å; L11-L14 PolarHBondContact O-N 2.98Å; L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.06Å; L11-V15 PolarHBondContact O-N 3.38Å
12A84.4Confident78.8Confident45 Ų45101.5 Ų101.537%0.37256%0.563SS.*Hα-helixtrans-62.7-43.9177.900000111.8N8 L9 L14 V15 I16N8-A12 WeakPolarHBondContact O-CB 3.37Å; N8-A12 PolarHBondContact O-N 3.48Å; L9-A12 PolarHBondContact O-N 2.95Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.04Å; A12-V15 PolarHBondContact O-N 3.23Å; A12-I16 WeakPolarHBondContact O-CD1 3.2Å; A12-I16 VanDerWaalsContact O-CG1 3.24Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 2.95Å
13C83.6Confident79.9Confident76 Ų76103.3 Ų103.351%0.51456%0.559SS.*Hα-helixtrans-62.1-40.1175.3-71.90000112.2L9 L10 I16 S17L9-C13 PolarHBondContact O-N 3.06Å; L9-C13 PolarHBondContact O-SG 3.05Å; L9-C13 VanDerWaalsContact O-SG 3.39Å; L10-C13 PolarHBondContact O-N 3.41Å; C13-I16 PolarHBondContact O-N 3.41Å; C13-S17 WeakPolarHBondContact O-CB 3.41Å; C13-S17 PolarHBondContact O-N 3.15Å; C13-S17 PolarHBondContact O-OG 2.93Å
14L85.5Confident80.5Confident116 Ų116106.1 Ų106.161%0.60756%0.561SS**Hα-helixtrans-62.2-47176.4-113.5153.9000111.3L10 L11 A12 S17 S18L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 2.69Å; L11-L14 PolarHBondContact O-N 2.98Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.04Å; L14-S17 PolarHBondContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 3.41Å; L14-S18 PolarHBondContact O-N 3.05Å; L14-S18 PolarHBondContact O-OG 3.42Å
15V88.8Confident81Confident84 Ų8499.8 Ų99.851%0.50954%0.542SS..Hα-helixtrans-63.6-43.1178174.10000111.6L11 A12 S17 S18 V19L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.06Å; L11-V15 PolarHBondContact O-N 3.38Å; A12-V15 PolarHBondContact O-N 3.23Å; V15-S17 PolarHBondContact O-N 3.35Å; V15-S18 WeakPolarHBondContact CA-OG 3.43Å; V15-S18 PolarHBondContact O-N 3.14Å; V15-S18 PolarHBondContact O-OG 2.86Å; V15-V19 HydrophobicContact CG1-CG2 4.42Å; V15-V19 WeakPolarHBondContact O-CB 3.46Å; V15-V19 VanDerWaalsContact O-CG2 3.24Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.01Å
16I87.1Confident81.1Confident110 Ų11098.1 Ų98.156%0.56453%0.531SS*.Hα-helixtrans-63.9-44.4177.3-66.9164.4000110A12 C13 S18 V19 T20A12-I16 WeakPolarHBondContact O-CD1 3.2Å; A12-I16 VanDerWaalsContact O-CG1 3.24Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 2.95Å; C13-I16 PolarHBondContact O-N 3.41Å; I16-S18 PolarHBondContact O-N 3.15Å; I16-V19 PolarHBondContact O-N 3.36Å; I16-T20 WeakPolarHBondContact O-CB 3.27Å; I16-T20 PolarHBondContact O-N 2.82Å; I16-T20 PolarHBondContact O-OG1 3.28Å
17S81.6Confident80.9Confident59 Ų5996.7 Ų96.741%0.41353%0.526SS..Hα-helixtrans-62.3-42.1179.773.80000112.3C13 L14 V15 T20 V21C13-S17 WeakPolarHBondContact O-CB 3.41Å; C13-S17 PolarHBondContact O-N 3.15Å; C13-S17 PolarHBondContact O-OG 2.93Å; L14-S17 PolarHBondContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 3.41Å; V15-S17 PolarHBondContact O-N 3.35Å; S17-T20 PolarHBondContact O-N 3.28Å; S17-V21 VanDerWaalsContact O-CG2 3.29Å; S17-V21 WeakPolarHBondContact O-CG2 3.39Å; S17-V21 PolarHBondContact O-N 3.41Å
18S83.1Confident80.6Confident65 Ų6593.4 Ų93.446%0.45552%0.522SS..Hα-helixtrans-70.7-38.2179.749.30000112.3L14 V15 I16 T20 V21 F22L14-S18 PolarHBondContact O-N 3.05Å; L14-S18 PolarHBondContact O-OG 3.42Å; V15-S18 WeakPolarHBondContact CA-OG 3.43Å; V15-S18 PolarHBondContact O-N 3.14Å; V15-S18 PolarHBondContact O-OG 2.86Å; I16-S18 PolarHBondContact O-N 3.15Å; S18-T20 VanDerWaalsContact C-N 3.34Å; S18-V21 PolarHBondContact O-N 3.32Å; S18-F22 WeakPolarHBondContact O-CB 3.27Å; S18-F22 PolarHBondContact O-N 2.87Å
19V85.7Confident79.9Confident90 Ų9094.4 Ų94.455%0.54552%0.524SS..Hα-helixtrans-63.4-41172.2172.50000111V15 I16 F22 Y23V15-V19 HydrophobicContact CG1-CG2 4.42Å; V15-V19 WeakPolarHBondContact O-CB 3.46Å; V15-V19 VanDerWaalsContact O-CG2 3.24Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.01Å; I16-V19 PolarHBondContact O-N 3.36Å; V19-F22 PolarHBondContact O-N 2.97Å; V19-Y23 WeakPolarHBondContact O-CB 3.45Å; V19-Y23 PolarHBondContact O-N 3.07Å
20T83Confident79.1Confident69 Ų6994.9 Ų94.942%0.42352%0.523SS..Hα-helixtrans-66.5-43.4179.6-43.10000111.5I16 S17 S18 F22 Y23 L24I16-T20 WeakPolarHBondContact O-CB 3.27Å; I16-T20 PolarHBondContact O-N 2.82Å; I16-T20 PolarHBondContact O-OG1 3.28Å; S17-T20 PolarHBondContact O-N 3.28Å; S18-T20 VanDerWaalsContact C-N 3.34Å; T20-F22 VanDerWaalsContact C-N 3.34Å; T20-Y23 PolarHBondContact O-N 2.78Å; T20-L24 HydrophobicContact CG2-CD1 4.24Å; T20-L24 WeakPolarHBondContact O-CB 2.83Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.45Å; T20-L24 PolarHBondContact O-N 3.02Å
21V83.3Confident77.8Confident106 Ų10693.1 Ų93.164%0.64252%0.52SS*.Hα-helixtrans-63.9-40.4176170.30000111.1S17 S18 G25S17-V21 VanDerWaalsContact O-CG2 3.29Å; S17-V21 WeakPolarHBondContact O-CG2 3.39Å; S17-V21 PolarHBondContact O-N 3.41Å; S18-V21 PolarHBondContact O-N 3.32Å; V21-G25 PolarHBondContact O-N 3.23Å
22F82.4Confident76.5Confident136 Ų13693.4 Ų93.460%0.59652%0.518SS*.Hα-helixtrans-64.8-43.7176.5-169.9-96.3000112S18 V19 T20 G25 Q26S18-F22 WeakPolarHBondContact O-CB 3.27Å; S18-F22 PolarHBondContact O-N 2.87Å; V19-F22 PolarHBondContact O-N 2.97Å; T20-F22 VanDerWaalsContact C-N 3.34Å; F22-G25 PolarHBondContact O-N 2.94Å; F22-Q26 HydrophobicContact CD1-CG 4.3Å; F22-Q26 VanDerWaalsContact CE1-CD 3.42Å; F22-Q26 HydrophobicContact CE1-CG 4.01Å; F22-Q26 HydrophobicContact CZ-CG 4.43Å; F22-Q26 PolarHBondContact O-N 2.75Å
23Y79.8Confident74.9Confident142 Ų14296.5 Ų96.556%0.55753%0.525SS*.Hα-helixtrans-66.2-41.1179.1-152.1-93.2000112.3V19 T20 G25 Q26 H27V19-Y23 WeakPolarHBondContact O-CB 3.45Å; V19-Y23 PolarHBondContact O-N 3.07Å; T20-Y23 PolarHBondContact O-N 2.78Å; Y23-G25 VanDerWaalsContact C-N 3.35Å; Y23-Q26 PolarHBondContact O-N 3.29Å; Y23-H27 AromaticContact CD1-CD2 3.76Å; Y23-H27 AromaticContact CE1-CD2 3.6Å; Y23-H27 AromaticContact CE1-NE2 3.56Å; Y23-H27 PolarHBondContact O-N 2.78Å; Y23-H27 VanDerWaalsContact O-N 3.09Å
24L78.2Confident73.4Confident113 Ų113101.3 Ų101.359%0.59253%0.532SS*.Hα-helixtrans-65.4-37.8173.1-71.9170000111.9T20 H27 A28T20-L24 HydrophobicContact CG2-CD1 4.24Å; T20-L24 WeakPolarHBondContact O-CB 2.83Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.45Å; T20-L24 PolarHBondContact O-N 3.02Å; L24-H27 PolarHBondContact O-N 2.94Å; L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.27Å
25G75.6Confident71.8Confident31 Ų31100.9 Ų100.932%0.3253%0.529SS..Hα-helixtrans-64.1-41.817500000113.1V21 F22 Y23 A28 M29V21-G25 PolarHBondContact O-N 3.23Å; F22-G25 PolarHBondContact O-N 2.94Å; Y23-G25 VanDerWaalsContact C-N 3.35Å; G25-A28 PolarHBondContact O-N 3.17Å; G25-M29 WeakPolarHBondContact O-CG 3.46Å; G25-M29 PolarHBondContact O-N 3.48Å
26Q73.8Confident70Confident92 Ų92102.5 Ų102.543%0.4353%0.531SS..Hα-helixtrans-63.7-44.6174.5-73.9-171.5-43.300111.8F22 Y23 A28 M29 E30F22-Q26 HydrophobicContact CD1-CG 4.3Å; F22-Q26 VanDerWaalsContact CE1-CD 3.42Å; F22-Q26 HydrophobicContact CE1-CG 4.01Å; F22-Q26 HydrophobicContact CZ-CG 4.43Å; F22-Q26 PolarHBondContact O-N 2.75Å; Y23-Q26 PolarHBondContact O-N 3.29Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.05Å; Q26-M29 PolarHBondContact O-N 3.44Å; Q26-E30 PolarHBondContact O-N 3.48Å
27H66.9Low68Low112 Ų112103.3 Ų103.352%0.51953%0.533SS..Hα-helixtrans-64.1-36.5175.6-95.1-70.1000113.4Y23 L24 E30 C31Y23-H27 AromaticContact CD1-CD2 3.76Å; Y23-H27 AromaticContact CE1-CD2 3.6Å; Y23-H27 AromaticContact CE1-NE2 3.56Å; Y23-H27 PolarHBondContact O-N 2.78Å; Y23-H27 VanDerWaalsContact O-N 3.09Å; L24-H27 PolarHBondContact O-N 2.94Å; H27-E30 PolarHBondContact O-N 2.94Å; H27-C31 WeakPolarHBondContact O-CB 3.48Å; H27-C31 PolarHBondContact O-N 3.25Å
28A67.2Low66.3Low60 Ų60111.5 Ų111.550%0.49655%0.554SS.*Hα-helixtrans-66-40175.400000111.8L24 G25 Q26 C31 H32L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.27Å; G25-A28 PolarHBondContact O-N 3.17Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.05Å; A28-C31 PolarHBondContact O-N 2.88Å; A28-H32 PolarHBondContact O-N 3.48Å
29M63.1Low64.3Low131 Ų131112.2 Ų112.265%0.64556%0.56SS**Hα-helixtrans-67.4-39.1175.5-73.2-163.7-69.300112.6G25 Q26 C31 H32 H33G25-M29 WeakPolarHBondContact O-CG 3.46Å; G25-M29 PolarHBondContact O-N 3.48Å; Q26-M29 PolarHBondContact O-N 3.44Å; M29-C31 VanDerWaalsContact C-N 3.33Å; M29-C31 PolarHBondContact O-N 3.07Å; M29-H32 PolarHBondContact O-N 3.21Å; M29-H33 WeakPolarHBondContact O-CB 3.49Å; M29-H33 PolarHBondContact O-N 3.03Å
30E63.8Low61.8Low127 Ų127115.2 Ų115.259%0.59357%0.567SS**Hα-helixtrans-63.5-39.1173.9-163.7107.9-160.200111.8Q26 H27 R34Q26-E30 PolarHBondContact O-N 3.48Å; H27-E30 PolarHBondContact O-N 2.94Å; E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 VanDerWaalsContact O-N 3.08Å
31C54Low59.5Low81 Ų81117.9 Ų117.955%0.54759%0.586SS.*Hα-helixtrans-65.5-38.3172.8-109.10000112.2H27 A28 M29 I35H27-C31 WeakPolarHBondContact O-CB 3.48Å; H27-C31 PolarHBondContact O-N 3.25Å; A28-C31 PolarHBondContact O-N 2.88Å; M29-C31 VanDerWaalsContact C-N 3.33Å; M29-C31 PolarHBondContact O-N 3.07Å; C31-I35 WeakPolarHBondContact O-CD1 3.32Å; C31-I35 VanDerWaalsContact O-CG1 3.26Å; C31-I35 WeakPolarHBondContact O-CG1 3.31Å; C31-I35 PolarHBondContact O-N 3.45Å
32H56.6Low57.2Low117 Ų117116.8 Ų116.854%0.54259%0.588SS.*Hα-helixtrans-69.6-41.7177.9-143.360.8000111.8A28 M29 R34 I35 E36A28-H32 PolarHBondContact O-N 3.48Å; M29-H32 PolarHBondContact O-N 3.21Å; H32-R34 VanDerWaalsContact C-N 3.35Å; H32-R34 PolarHBondContact O-N 3.12Å; H32-I35 WeakPolarHBondContact O-CB 3.49Å; H32-I35 PolarHBondContact O-N 2.93Å; H32-I35 VanDerWaalsContact O-N 3.09Å; H32-E36 PolarHBondContact O-N 2.75Å
33H49.8Very low54.9Low110 Ų110122 Ų12251%0.50960%0.604SS.*Hα-helixtrans-64-37.5176.3-161.7-68.5000112.2M29 I35 E36 E37M29-H33 WeakPolarHBondContact O-CB 3.49Å; M29-H33 PolarHBondContact O-N 3.03Å; H33-I35 VanDerWaalsContact C-N 3.32Å; H33-I35 PolarHBondContact O-N 3.11Å; H33-E36 PolarHBondContact O-N 3.34Å; H33-E37 IonicContact CE1-OE1 2.85Å; H33-E37 IonicContact ND1-OE1 3.68Å; H33-E37 PolarHBondContact O-N 2.82Å
34R52.2Low52.8Low177 Ų177122.4 Ų122.467%0.66862%0.615SS**Hα-helixtrans-67.9-27.6172.4-80.9-169.6178.6-167.11.1113.9E30 H32 R38E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 VanDerWaalsContact O-N 3.08Å; H32-R34 VanDerWaalsContact C-N 3.35Å; H32-R34 PolarHBondContact O-N 3.12Å; R34-R38 PolarHBondContact O-N 3.22Å
35I53Low50.8Low106 Ų106125 Ų12554%0.54462%0.624SS.*Hα-helixtrans-75.6-41.7174.2-69.6165.7000109.6C31 H32 H33 R38 S39C31-I35 WeakPolarHBondContact O-CD1 3.32Å; C31-I35 VanDerWaalsContact O-CG1 3.26Å; C31-I35 WeakPolarHBondContact O-CG1 3.31Å; C31-I35 PolarHBondContact O-N 3.45Å; H32-I35 WeakPolarHBondContact O-CB 3.49Å; H32-I35 PolarHBondContact O-N 2.93Å; H32-I35 VanDerWaalsContact O-N 3.09Å; H33-I35 VanDerWaalsContact C-N 3.32Å; H33-I35 PolarHBondContact O-N 3.11Å; I35-R38 PolarHBondContact O-N 3.44Å; I35-S39 PolarHBondContact O-N 3.14Å; I35-S39 VanDerWaalsContact O-N 3.1Å; I35-S39 PolarHBondContact O-OG 2.84Å; I35-S39 VanDerWaalsContact O-OG 3.13Å
36E49.2Very low49Very low118 Ų118130.5 Ų130.555%0.55165%0.646SS**Hα-helixtrans-65.2-41.9178-81.5-174.3151.700112.9H32 H33 R38 S39H32-E36 PolarHBondContact O-N 2.75Å; H33-E36 PolarHBondContact O-N 3.34Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.72Å; E36-S39 VanDerWaalsContact CA-OG 3.24Å; E36-S39 WeakPolarHBondContact CA-OG 3.47Å; E36-S39 PolarHBondContact O-N 3.28Å; E36-S39 VanDerWaalsContact O-N 3.09Å; E36-S39 PolarHBondContact O-OG 3.42Å
37E46.2Very low47.6Very low128 Ų128131 Ų13160%0.59866%0.657SS**Hα-helixtrans-63.3-31.8173-80.2-174.7162.300113H33 S39H33-E37 IonicContact CE1-OE1 2.85Å; H33-E37 IonicContact ND1-OE1 3.68Å; H33-E37 PolarHBondContact O-N 2.82Å; E37-S39 VanDerWaalsContact C-N 3.33Å
38R45.3Very low46.7Very low230 Ų230134.6 Ų134.687%0.86867%0.672SS**Hα-helixtrans-76.2-17.4173.9-101.2-178.4173.9-179.4-1.5113.9R34 I35 E36R34-R38 PolarHBondContact O-N 3.22Å; I35-R38 PolarHBondContact O-N 3.44Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 2.72Å
39S40.6Very low46.3Very low81 Ų81134.3 Ų134.357%0.56666%0.664SS**THydrogen-bonded Turntrans-95.24.5-179.152.40000114.7I35 E36 E37I35-S39 PolarHBondContact O-N 3.14Å; I35-S39 VanDerWaalsContact O-N 3.1Å; I35-S39 PolarHBondContact O-OG 2.84Å; I35-S39 VanDerWaalsContact O-OG 3.13Å; E36-S39 VanDerWaalsContact CA-OG 3.24Å; E36-S39 WeakPolarHBondContact CA-OG 3.47Å; E36-S39 PolarHBondContact O-N 3.28Å; E36-S39 VanDerWaalsContact O-N 3.09Å; E36-S39 PolarHBondContact O-OG 3.42Å; E37-S39 VanDerWaalsContact C-N 3.33Å
40Q34.4Very low46.6Very low152 Ų152133 Ų13371%0.7166%0.663SS**SBendtrans-66.2127164.1-72.1-1711.200109.4A42Q40-A42 VanDerWaalsContact C-N 3.32Å; Q40-A42 PolarHBondContact O-N 2.91Å
41P34.7Very low47Very low125 Ų125131 Ų13181%0.81266%0.659SS**  trans-70.594176.928.6-31.3000108.1R43P41-R43 PolarHBondContact O-N 3.15Å
42A34.9Very low48.3Very low84 Ų84131.1 Ų131.169%0.69465%0.648SS**  trans-55.2116.7158.600000105.9Q40 L44Q40-A42 VanDerWaalsContact C-N 3.32Å; Q40-A42 PolarHBondContact O-N 2.91Å; A42-L44 VanDerWaalsContact C-N 3.26Å; A42-L44 PolarHBondContact O-N 3.49Å
43R34.5Very low49Very low245 Ų245130 Ų13093%0.92565%0.65SS**  trans-55.594.9175.9-158.4-179.6-164.6-174.94.3106.6P41 E45P41-R43 PolarHBondContact O-N 3.15Å; R43-E45 VanDerWaalsContact C-N 3.33Å; R43-E45 PolarHBondContact O-N 2.9Å
44L34.3Very low49.7Very low151 Ų151125 Ų12579%0.79163%0.628SS**  trans-65.399.8177.5-124.2102.1000105.6A42 N46A42-L44 VanDerWaalsContact C-N 3.26Å; A42-L44 PolarHBondContact O-N 3.49Å; L44-N46 PolarHBondContact O-N 3.1Å
45E36.1Very low50Low167 Ų167122.7 Ų122.778%0.7863%0.628SS**  trans-53128.1156.7-71.2-168158.300106.6R43 P47R43-E45 VanDerWaalsContact C-N 3.33Å; R43-E45 PolarHBondContact O-N 2.9Å; E45-P47 VanDerWaalsContact O-N 3.12Å
46N37.8Very low50.4Low147 Ų147119.2 Ų119.279%0.78661%0.611SS**  trans-42.7123.9173.8-96.8-18.4000108.5L44 K48L44-N46 PolarHBondContact O-N 3.1Å; N46-K48 PolarHBondContact O-N 2.91Å
47P45Very low50.8Low102 Ų102121.1 Ų121.166%0.66262%0.623SS**  trans-57.6111.917421.3-29.1000106.6E45 T49E45-P47 VanDerWaalsContact O-N 3.12Å; P47-T49 PolarHBondContact O-N 3.31Å
48K48.5Very low51.2Low188 Ų188122.7 Ų122.782%0.81763%0.628SS**  trans-55.1106.5179.1-71.5178.1-178.8172.40106.8N46 T50N46-K48 PolarHBondContact O-N 2.91Å; K48-T50 PolarHBondContact O-N 2.68Å
49T57.8Low51.9Low54 Ų54114.1 Ų114.133%0.33161%0.607SS.*  trans-51.7118.1174.6-64.60000107.8P47 V51 H66 D68P47-T49 PolarHBondContact O-N 3.31Å; T49-V51 PolarHBondContact O-N 2.96Å; T49-H66 HydrophobicContact CG2-CB 3.61Å; T49-D68 WeakPolarHBondContact CG2-OD2 3.43Å; T49-D68 PolarHBondContact OG1-OD2 3.26Å
50T70.4Confident52.7Low102 Ų102117.3 Ų117.363%0.62662%0.617SS**  trans-66.499.8178.5-510000108.6K48K48-T50 PolarHBondContact O-N 2.68Å
51V72.4Confident54.1Low85 Ų85117.2 Ų117.252%0.51561%0.614SS.*  trans-82.4122.7175.6-179.80000108.5T49 T64T49-V51 PolarHBondContact O-N 2.96Å; V51-T64 HydrophobicContact CG1-CG2 4.02Å
52R79.6Confident55.7Low84 Ų84116.1 Ų116.132%0.31761%0.605SS.*EExtended strand (participates in β ladder)trans-104.6151.7173.2-65.9-177.1177.6-136.8-6.1110T64 Y65 E144R52-T64 WeakPolarHBondContact O-CA 3.12Å; R52-Y65 HydrophobicContact CB-CD1 4.26Å; R52-Y65 HydrophobicContact CB-CD2 4.03Å; R52-Y65 HydrophobicContact CB-CE1 3.77Å; R52-Y65 HydrophobicContact CB-CE2 3.54Å; R52-Y65 HydrophobicContact CB-CG 4.38Å; R52-Y65 HydrophobicContact CG-CE2 4.19Å; R52-Y65 PolarHBondContact N-O 3.37Å; R52-Y65 PolarHBondContact O-N 2.84Å; R52-E144 IonicContact CZ-OE1 2.74Å; R52-E144 IonicContact NH1-OE1 3.65Å; R52-E144 PolarHBondContact NH1-OE1 3.44Å
53T72.5Confident57.8Low93 Ų93114.5 Ų114.557%0.57158%0.583SS**EExtended strand (participates in β ladder)trans-110.4136.9175.949.50000110.5F63 T64T53-F63 CarbonylContact C-O 3.31Å; T53-F63 WeakPolarHBondContact CA-O 3.33Å; T53-T64 HydrophobicContact CG2-CG2 4.12Å
54G63.8Low60.3Low5 Ų5106.6 Ų106.65%0.05256%0.562CS.*EExtended strand (participates in β ladder)trans-111.5142.8164.700000110T62 F63 K148G54-T62 CarbonylContact O-C 3.57Å; G54-T62 WeakPolarHBondContact O-CA 3.49Å; G54-F63 PolarHBondContact N-O 2.91Å; G54-F63 PolarHBondContact O-N 3.4Å; G54-K148 VanDerWaalsContact CA-NZ 3.3Å
55L58.8Low63.2Low129 Ų12999.5 Ų99.568%0.67553%0.525SS*.EExtended strand (participates in β ladder)trans-88.8121.7169.4-88.2136.5000108.7I57L55-I57 PolarHBondContact O-N 2.98Å
56D61.9Low66.1Low33 Ų3394.2 Ų94.218%0.17650%0.5CS..EExtended strand (participates in β ladder)trans-81.5103.7158.6-177.3-13.5000107.8K58 A59 N60 K61 P152D56-K58 PolarHBondContact O-N 3.12Å; D56-K58 PolarHBondContact OD1-N 3.44Å; D56-A59 HydrophobicContact CB-CB 4.28Å; D56-A59 PolarHBondContact O-N 3.23Å; D56-A59 PolarHBondContact OD1-N 3.42Å; D56-A59 VanDerWaalsContact OD1-N 3.13Å; D56-A59 WeakPolarHBondContact OD2-CB 3.08Å; D56-N60 WeakPolarHBondContact O-CA 3.27Å; D56-N60 PolarHBondContact O-N 2.88Å; D56-K61 WeakPolarHBondContact CB-O 3.4Å; D56-K61 PolarHBondContact N-O 2.91Å; D56-P152 HydrophobicContact CB-CG 4.11Å; D56-P152 WeakPolarHBondContact OD2-CG 3.45Å
57I56.8Low68.9Low158 Ų15890.3 Ų90.381%0.8148%0.476SS*.THydrogen-bonded Turntrans-64.6-26.6-177.3-60.1174.4000111.1L55L55-I57 PolarHBondContact O-N 2.98Å
58K55.6Low71.4Confident161 Ų16187.1 Ų87.170%0.745%0.453SS*.THydrogen-bonded Turntrans-85-37.3-178.2-70.7174.9-179.21620112.5D56 E151D56-K58 PolarHBondContact O-N 3.12Å; D56-K58 PolarHBondContact OD1-N 3.44Å; K58-E151 IonicContact NZ-OE1 2.59Å; K58-E151 PolarHBondContact NZ-OE1 3.25Å; K58-E151 IonicContact NZ-OE2 3.79Å; K58-E151 PolarHBondContact NZ-OE2 2.92Å
59A59.2Low73.7Confident51 Ų5178.7 Ų78.742%0.42142%0.417SS..THydrogen-bonded Turntrans-96.4-5-177.600000114.6D56 K61D56-A59 HydrophobicContact CB-CB 4.28Å; D56-A59 PolarHBondContact O-N 3.23Å; D56-A59 PolarHBondContact OD1-N 3.42Å; D56-A59 VanDerWaalsContact OD1-N 3.13Å; D56-A59 WeakPolarHBondContact OD2-CB 3.08Å; A59-K61 HydrophobicContact CB-CB 4.3Å; A59-K61 HydrophobicContact CB-CG 4.43Å; A59-K61 PolarHBondContact O-N 3.5Å; A59-K61 VanDerWaalsContact O-N 3.13Å
60N57.4Low75.6Confident147 Ų14779.1 Ų79.179%0.78642%0.421SS*.THydrogen-bonded Turntrans5033.4-171.8-154.427000112.6D56D56-N60 WeakPolarHBondContact O-CA 3.27Å; D56-N60 PolarHBondContact O-N 2.88Å
61K64.3Low77Confident150 Ų15074.5 Ų74.565%0.65239%0.392SS*.EExtended strand (participates in β ladder)trans-113.8137.6-179.5-79.3-179-179.91780109.9D56 A59D56-K61 WeakPolarHBondContact CB-O 3.4Å; D56-K61 PolarHBondContact N-O 2.91Å; A59-K61 HydrophobicContact CB-CB 4.3Å; A59-K61 HydrophobicContact CB-CG 4.43Å; A59-K61 PolarHBondContact O-N 3.5Å; A59-K61 VanDerWaalsContact O-N 3.13Å
62T68.6Low78.2Confident102 Ų10270.8 Ų70.863%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-81.2118.8170.534.50000109.6G54G54-T62 CarbonylContact O-C 3.57Å; G54-T62 WeakPolarHBondContact O-CA 3.49Å
63F77.9Confident79.2Confident51 Ų5166.8 Ų66.822%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-95129.7171.8-178.9-101.1000109.3T53 G54 Y65 M69 V147 L156T53-F63 CarbonylContact C-O 3.31Å; T53-F63 WeakPolarHBondContact CA-O 3.33Å; G54-F63 PolarHBondContact N-O 2.91Å; G54-F63 PolarHBondContact O-N 3.4Å; F63-Y65 HydrophobicContact CD1-CD1 4.39Å; F63-M69 HydrophobicContact CE1-CE 4.27Å; F63-M69 HydrophobicContact CZ-CE 4.16Å; F63-V147 HydrophobicContact CD1-CG1 4.41Å; F63-L156 HydrophobicContact CE1-CD1 4.26Å
64T88.3Confident80.4Confident78 Ų7862.4 Ų62.448%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-98.6139178.252.50000110.6V51 R52 T53V51-T64 HydrophobicContact CG1-CG2 4.02Å; R52-T64 WeakPolarHBondContact O-CA 3.12Å; T53-T64 HydrophobicContact CG2-CG2 4.12Å
65Y94.9Very high82.1Confident2 Ų262.1 Ų62.11%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-143.7149.817864.3-86.7000111R52 F63 L143 E144 V147R52-Y65 HydrophobicContact CB-CD1 4.26Å; R52-Y65 HydrophobicContact CB-CD2 4.03Å; R52-Y65 HydrophobicContact CB-CE1 3.77Å; R52-Y65 HydrophobicContact CB-CE2 3.54Å; R52-Y65 HydrophobicContact CB-CG 4.38Å; R52-Y65 HydrophobicContact CG-CE2 4.19Å; R52-Y65 PolarHBondContact N-O 3.37Å; R52-Y65 PolarHBondContact O-N 2.84Å; F63-Y65 HydrophobicContact CD1-CD1 4.39Å; Y65-L143 HydrophobicContact CD2-CB 3.99Å; Y65-L143 HydrophobicContact CD2-CD1 4.39Å; Y65-L143 HydrophobicContact CE2-CB 3.97Å; Y65-E144 PolarHBondContact OH-OE1 2.99Å; Y65-E144 PolarHBondContact OH-OE2 3.09Å; Y65-V147 HydrophobicContact CD1-CB 4.43Å; Y65-V147 HydrophobicContact CD1-CG1 3.78Å; Y65-V147 HydrophobicContact CD1-CG2 4.13Å; Y65-V147 HydrophobicContact CD2-CB 4.47Å; Y65-V147 HydrophobicContact CD2-CG2 3.65Å; Y65-V147 HydrophobicContact CE1-CG1 3.92Å; Y65-V147 HydrophobicContact CE2-CG2 4.1Å; Y65-V147 HydrophobicContact CG-CB 4.4Å; Y65-V147 HydrophobicContact CG-CG1 4.17Å; Y65-V147 HydrophobicContact CG-CG2 3.64Å
66H96.8Very high84Confident56 Ų5656 Ų5626%0.25929%0.293SS..  trans-162.1168.5-173.756.4-83.6000110.5T49 D68 M69T49-H66 HydrophobicContact CG2-CB 3.61Å; H66-D68 PolarHBondContact CD2-N 3.17Å; H66-D68 PolarHBondContact O-N 3.46Å; H66-D68 VanDerWaalsContact O-N 3.14Å; H66-M69 WeakPolarHBondContact O-CB 3.34Å; H66-M69 WeakPolarHBondContact O-CG 3.21Å; H66-M69 PolarHBondContact O-N 3.31Å; H66-M69 VanDerWaalsContact O-N 3.14Å
67K96.1Very high85.7Confident65 Ų6554.4 Ų54.428%0.28328%0.284SS..THydrogen-bonded Turntrans-61.6-22.9-174.569.3167.6-176.472.90115.4Q139 F174K67-Q139 HydrophobicContact CB-CG 4.37Å; K67-F174 HydrophobicContact CB-CD1 4.27Å; K67-F174 HydrophobicContact CB-CE1 4.41Å; K67-F174 WeakPolarHBondContact O-CD1 3.49Å
68D97.6Very high87.7Confident36 Ų3647.9 Ų47.919%0.19325%0.252CS..THydrogen-bonded Turntrans-93.13.5-177.8-51.1-55.3000112.6T49 H66 N176T49-D68 WeakPolarHBondContact CG2-OD2 3.43Å; T49-D68 PolarHBondContact OG1-OD2 3.26Å; H66-D68 PolarHBondContact CD2-N 3.17Å; H66-D68 PolarHBondContact O-N 3.46Å; H66-D68 VanDerWaalsContact O-N 3.14Å; D68-N176 WeakPolarHBondContact O-CB 3.44Å; D68-N176 PolarHBondContact O-ND2 3.17Å
69M97.3Very high89.8Confident10 Ų1041.3 Ų41.35%0.04922%0.223CC..SBendtrans-67.3150.8175.578.7-175.5-6700111.6F63 H66 L71 L143 L156F63-M69 HydrophobicContact CE1-CE 4.27Å; F63-M69 HydrophobicContact CZ-CE 4.16Å; H66-M69 WeakPolarHBondContact O-CB 3.34Å; H66-M69 WeakPolarHBondContact O-CG 3.21Å; H66-M69 PolarHBondContact O-N 3.31Å; H66-M69 VanDerWaalsContact O-N 3.14Å; M69-L71 HydrophobicContact CE-CD2 4.3Å; M69-L71 HydrophobicContact CG-CD2 3.88Å; M69-L71 HydrophobicContact CG-CG 3.91Å; M69-L71 PolarHBondContact O-N 2.75Å; M69-L71 VanDerWaalsContact O-N 3.09Å; M69-L71 HydrophobicContact SD-CD2 3.97Å; M69-L143 HydrophobicContact SD-CD2 4.03Å; M69-L156 HydrophobicContact CE-CB 4.29Å; M69-L156 HydrophobicContact CE-CD1 3.66Å; M69-L156 HydrophobicContact CE-CG 3.97Å; M69-L156 HydrophobicContact SD-CD1 4.46Å
70P98.1Very high91.6Very high64 Ų6438.9 Ų38.942%0.41620%0.203SC..  trans-72105.817729.7-33.7000110.4Y155P70-Y155 HydrophobicContact CG-CD1 4.22Å; P70-Y155 HydrophobicContact CG-CE1 4.43Å
71L98.8Very high93.6Very high4 Ų432.6 Ų32.62%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-101.6146.7174.4-66.3177.4000111.4M69 F73 L143 I146 L156 F174 A177 K178M69-L71 HydrophobicContact CE-CD2 4.3Å; M69-L71 HydrophobicContact CG-CD2 3.88Å; M69-L71 HydrophobicContact CG-CG 3.91Å; M69-L71 PolarHBondContact O-N 2.75Å; M69-L71 VanDerWaalsContact O-N 3.09Å; M69-L71 HydrophobicContact SD-CD2 3.97Å; L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.67Å; L71-F73 HydrophobicContact CB-CZ 4.38Å; L71-F73 HydrophobicContact CD1-CE2 3.9Å; L71-F73 HydrophobicContact CD1-CZ 3.94Å; L71-F73 HydrophobicContact CG-CE2 4.45Å; L71-L143 HydrophobicContact CD1-CD2 4.04Å; L71-I146 HydrophobicContact CD1-CD1 4.34Å; L71-I146 HydrophobicContact CD2-CG2 4.22Å; L71-L156 WeakPolarHBondContact CA-O 3.48Å; L71-L156 HydrophobicContact CD2-CB 3.84Å; L71-F174 HydrophobicContact CD1-CB 4.32Å; L71-F174 HydrophobicContact CD1-CD1 3.82Å; L71-F174 HydrophobicContact CD1-CD2 4.11Å; L71-F174 HydrophobicContact CD1-CE1 4.13Å; L71-F174 HydrophobicContact CD1-CE2 4.38Å; L71-F174 HydrophobicContact CD1-CG 3.82Å; L71-F174 HydrophobicContact CD1-CZ 4.39Å; L71-A177 HydrophobicContact CB-CB 4.08Å; L71-A177 CarbonylContact O-C 3.58Å; L71-A177 WeakPolarHBondContact O-CA 3.31Å; L71-K178 PolarHBondContact O-N 3.25Å
72I98.9Very high95.2Very high7 Ų725.7 Ų25.74%0.03614%0.143CC..EExtended strand (participates in β ladder)trans-111123.7172.6-54.3159.3000108.5I74 L89 I95 L156 C157 N158 K178 L180 L257 I259I72-I74 HydrophobicContact CG2-CG1 4.29Å; I72-L89 HydrophobicContact CG2-CD1 4.22Å; I72-I95 HydrophobicContact CD1-CG2 4.01Å; I72-L156 PolarHBondContact N-O 2.93Å; I72-C157 HydrophobicContact CB-CB 3.9Å; I72-C157 HydrophobicContact CD1-CB 4.37Å; I72-C157 HydrophobicContact CG2-CB 4.5Å; I72-C157 CarbonylContact O-C 3.59Å; I72-C157 WeakPolarHBondContact O-CA 3.22Å; I72-N158 PolarHBondContact O-N 3.47Å; I72-K178 WeakPolarHBondContact CA-O 3.35Å; I72-L180 HydrophobicContact CG2-CD1 3.99Å; I72-L180 HydrophobicContact CG2-CG 4.41Å; I72-L257 HydrophobicContact CD1-CD1 3.83Å; I72-L257 HydrophobicContact CG1-CD1 4.21Å; I72-L257 HydrophobicContact CG1-CD2 4.18Å; I72-L257 HydrophobicContact CG2-CD1 4.35Å; I72-L257 HydrophobicContact CG2-CD2 4.32Å; I72-I259 HydrophobicContact CD1-CD1 3.94Å
73F98.9Very high96.7Very high1 Ų121 Ų210%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-112.4120173.6-70.5-88.3000110.3L71 I146 N158 L164 L170 F174 A177 K178 F179 L180L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.67Å; L71-F73 HydrophobicContact CB-CZ 4.38Å; L71-F73 HydrophobicContact CD1-CE2 3.9Å; L71-F73 HydrophobicContact CD1-CZ 3.94Å; L71-F73 HydrophobicContact CG-CE2 4.45Å; F73-I146 HydrophobicContact CE1-CD1 3.85Å; F73-I146 HydrophobicContact CZ-CD1 3.81Å; F73-N158 WeakPolarHBondContact CA-O 3.43Å; F73-N158 HydrophobicContact CD1-CB 4.05Å; F73-N158 HydrophobicContact CE1-CB 4.13Å; F73-L164 HydrophobicContact CB-CD1 4.16Å; F73-L170 HydrophobicContact CD1-CD1 4.12Å; F73-L170 HydrophobicContact CE1-CD1 4.29Å; F73-L170 HydrophobicContact CE1-CD2 4.18Å; F73-L170 HydrophobicContact CG-CD1 4.47Å; F73-L170 HydrophobicContact CZ-CD2 4.19Å; F73-F174 HydrophobicContact CE2-CD2 4.03Å; F73-F174 AromaticContact CZ-CD2 3.91Å; F73-F174 HydrophobicContact CZ-CD2 3.91Å; F73-F174 HydrophobicContact CZ-CE2 4.09Å; F73-A177 HydrophobicContact CD2-CB 3.99Å; F73-A177 HydrophobicContact CE2-CB 3.89Å; F73-K178 PolarHBondContact N-O 3.45Å; F73-F179 HydrophobicContact CB-CD1 3.55Å; F73-F179 HydrophobicContact CB-CE1 3.75Å; F73-F179 HydrophobicContact CD2-CD1 4.32Å; F73-F179 AromaticContact CD2-CE1 3.74Å; F73-F179 HydrophobicContact CD2-CE1 3.74Å; F73-F179 HydrophobicContact CD2-CZ 4.2Å; F73-F179 HydrophobicContact CG-CD1 4.24Å; F73-F179 AromaticContact CG-CE1 3.91Å; F73-F179 HydrophobicContact CG-CE1 3.91Å; F73-F179 CarbonylContact O-C 3.57Å; F73-F179 WeakPolarHBondContact O-CA 3.4Å; F73-L180 PolarHBondContact O-N 2.72Å
74I98.9Very high97.7Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-104.9132.4175.8-56.2167.5000108.6I72 M85 R86 L89 N158 K159 L180 M182I72-I74 HydrophobicContact CG2-CG1 4.29Å; I74-M85 HydrophobicContact CD1-CG 4.14Å; I74-M85 HydrophobicContact CG2-CB 4.26Å; I74-M85 HydrophobicContact CG2-CG 4.07Å; I74-R86 HydrophobicContact CD1-CB 3.54Å; I74-L89 HydrophobicContact CD1-CD1 3.88Å; I74-N158 PolarHBondContact N-O 2.76Å; I74-K159 HydrophobicContact CB-CB 4.06Å; I74-K159 HydrophobicContact CB-CG 3.94Å; I74-K159 HydrophobicContact CG2-CG 3.95Å; I74-K159 WeakPolarHBondContact O-CA 3.18Å; I74-L180 HydrophobicContact CD1-CD1 4.5Å; I74-L180 HydrophobicContact CG1-CB 4.19Å; I74-L180 HydrophobicContact CG1-CD1 4Å; I74-M182 HydrophobicContact CG2-CG 4.11Å
75G98.8Very high98.2Very high0 Ų016.1 Ų16.10%09%0.087CC..EExtended strand (participates in β ladder)trans-160-156.3171.800000112.9T82 P161 L180 M182G75-T82 WeakPolarHBondContact O-CG2 3.38Å; G75-P161 WeakPolarHBondContact CA-O 3.19Å; G75-L180 PolarHBondContact N-O 2.84Å; G75-L180 VanDerWaalsContact N-O 3.09Å; G75-M182 VanDerWaalsContact O-CB 3.29Å; G75-M182 WeakPolarHBondContact O-CB 3.39Å; G75-M182 PolarHBondContact O-N 3.31Å
76G98.8Very high98.4Very high0 Ų016 Ų160%09%0.087CC..SBendtrans127.3177.2-167.800000110.1P161G76-P161 PolarHBondContact N-O 2.79Å; G76-P161 CarbonylContact O-C 3.52Å; G76-P161 VanDerWaalsContact O-C 3.31Å; G76-P161 WeakPolarHBondContact O-CA 3.05Å; G76-P161 WeakPolarHBondContact O-CB 3.35Å
77V98.6Very high98.5Very high0 Ų013.3 Ų13.30%08%0.075CC..SBendtrans-65.5136.6177.2-173.80000108.2S80 M193 A218 I219 M222V77-S80 WeakPolarHBondContact O-CB 3.29Å; V77-S80 PolarHBondContact O-N 2.74Å; V77-S80 PolarHBondContact O-OG 3Å; V77-M193 HydrophobicContact CG1-CE 4.45Å; V77-A218 HydrophobicContact CG2-CB 3.95Å; V77-I219 HydrophobicContact CG2-CB 3.98Å; V77-I219 HydrophobicContact CG2-CD1 4.48Å; V77-M222 HydrophobicContact CB-CE 4.37Å; V77-M222 HydrophobicContact CG2-CE 3.48Å; V77-M222 VanDerWaalsContact CG2-CE 3.48Å
78P98.5Very high98.6Very high20 Ų2010.2 Ų10.213%0.136%0.061CC..THydrogen-bonded Turntrans-47.8149.7172.6-28.634.2000111.8S80 P161 F162 I200P78-S80 VanDerWaalsContact C-N 3.28Å; P78-S80 PolarHBondContact O-N 2.85Å; P78-P161 HydrophobicContact CG-CB 3.79Å; P78-P161 HydrophobicContact CG-CG 4.2Å; P78-F162 HydrophobicContact CG-CD2 4.49Å; P78-F162 HydrophobicContact CG-CE1 4.44Å; P78-F162 HydrophobicContact CG-CE2 3.86Å; P78-F162 HydrophobicContact CG-CZ 3.84Å; P78-I200 HydrophobicContact CB-CD1 3.77Å; P78-I200 HydrophobicContact CB-CG1 4.5Å; P78-I200 HydrophobicContact CG-CD1 3.85Å; P78-I200 HydrophobicContact CG-CG1 4.39Å
79R98.3Very high98.7Very high23 Ų238.5 Ų8.59%0.0875%0.052CC..THydrogen-bonded Turntrans72.411.8-174.5-40.3-49.9-56.7153.83.6115.6R184 S189 S192 M193 S286R79-R184 WeakPolarHBondContact O-CD 3.36Å; R79-R184 PolarHBondContact O-NH1 3.2Å; R79-S189 PolarHBondContact O-OG 3.45Å; R79-S192 PolarHBondContact NE-OG 3.46Å; R79-S192 PolarHBondContact NH2-OG 2.93Å; R79-M193 HydrophobicContact CG-CB 3.93Å; R79-S286 PolarHBondContact NH1-OG 2.77Å
80S98.8Very high98.7Very high1 Ų18.1 Ų8.11%0.0075%0.05CC..SBendtrans-9619.9175.6-48.80000114.5V77 P78 S189V77-S80 WeakPolarHBondContact O-CB 3.29Å; V77-S80 PolarHBondContact O-N 2.74Å; V77-S80 PolarHBondContact O-OG 3Å; P78-S80 VanDerWaalsContact C-N 3.28Å; P78-S80 PolarHBondContact O-N 2.85Å; S80-S189 PolarHBondContact OG-OG 3.11Å; S80-S189 VanDerWaalsContact OG-OG 3.06Å
81G98.5Very high98.8Very high15 Ų155 Ų516%0.1553%0.03CC..SBendtrans84.313.6178.700000115.8T83 L84 M85G81-T83 PolarHBondContact O-N 3.17Å; G81-L84 WeakPolarHBondContact O-CB 3.47Å; G81-L84 PolarHBondContact O-N 2.87Å; G81-L84 VanDerWaalsContact O-N 3.12Å; G81-M85 PolarHBondContact O-N 2.9Å
82T98.8Very high98.8Very high5 Ų55 Ų53%0.0313%0.029CC..Hα-helixtrans-59.8-38.7-179.855.20000113.9G75 M85 R86 M182G75-T82 WeakPolarHBondContact O-CG2 3.38Å; T82-M85 PolarHBondContact O-N 2.91Å; T82-R86 PolarHBondContact O-N 3.18Å; T82-M182 HydrophobicContact CG2-CB 3.77Å; T82-M182 HydrophobicContact CG2-CG 3.67Å
83T98.7Very high98.7Very high3 Ų37.8 Ų7.82%0.0185%0.048CC..Hα-helixtrans-68.2-34.7175-52.10000112.2G81 R86 A87 K159 S286 V290G81-T83 PolarHBondContact O-N 3.17Å; T83-R86 WeakPolarHBondContact O-CG 3.28Å; T83-A87 VanDerWaalsContact O-CB 3.26Å; T83-A87 WeakPolarHBondContact O-CB 3.45Å; T83-A87 PolarHBondContact O-N 2.89Å; T83-K159 PolarHBondContact OG1-NZ 3.13Å; T83-S286 WeakPolarHBondContact OG1-CB 3.44Å; T83-S286 PolarHBondContact OG1-OG 3.49Å; T83-V290 HydrophobicContact CG2-CB 4.26Å; T83-V290 HydrophobicContact CG2-CG1 4.16Å; T83-V290 HydrophobicContact CG2-CG2 4.28Å
84L98.9Very high98.7Very high26 Ų2610.7 Ų10.714%0.1366%0.064CC..Hα-helixtrans-65.8-48.2174.4177.363.3000110.4G81 R86 A87 M88 Y239 V243 H268 V290 V294G81-L84 WeakPolarHBondContact O-CB 3.47Å; G81-L84 PolarHBondContact O-N 2.87Å; G81-L84 VanDerWaalsContact O-N 3.12Å; L84-R86 PolarHBondContact O-N 3.07Å; L84-A87 PolarHBondContact O-N 2.96Å; L84-A87 VanDerWaalsContact O-N 3.14Å; L84-M88 HydrophobicContact CD1-CG 4.19Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CG-CG 4.46Å; L84-M88 HydrophobicContact CG-SD 4.03Å; L84-M88 WeakPolarHBondContact O-CG 3.42Å; L84-M88 PolarHBondContact O-N 2.95Å; L84-Y239 HydrophobicContact CD2-CE2 4.24Å; L84-V243 HydrophobicContact CD2-CG1 3.76Å; L84-H268 WeakPolarHBondContact CD1-NE2 3.14Å; L84-V290 HydrophobicContact CD1-CG2 4.47Å; L84-V294 HydrophobicContact CD1-CG2 4.26Å
85M98.9Very high98.7Very high0 Ų010.9 Ų10.90%07%0.065CC..Hα-helixtrans-55.7-49.3178.5-175.567.7-102.800111.8I74 G81 T82 A87 M88 L89 M182 V237 L242 M250 L253I74-M85 HydrophobicContact CD1-CG 4.14Å; I74-M85 HydrophobicContact CG2-CB 4.26Å; I74-M85 HydrophobicContact CG2-CG 4.07Å; G81-M85 PolarHBondContact O-N 2.9Å; T82-M85 PolarHBondContact O-N 2.91Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.02Å; M85-M88 PolarHBondContact O-N 2.86Å; M85-L89 HydrophobicContact CE-CD1 4.37Å; M85-L89 HydrophobicContact CE-CD2 4.11Å; M85-L89 HydrophobicContact CE-CG 3.86Å; M85-L89 PolarHBondContact O-N 2.93Å; M85-M182 HydrophobicContact CB-CE 4.11Å; M85-M182 HydrophobicContact CB-CG 4.25Å; M85-M182 HydrophobicContact CB-SD 3.56Å; M85-M182 VanDerWaalsContact CB-SD 3.56Å; M85-M182 HydrophobicContact CG-CG 4.48Å; M85-M182 HydrophobicContact CG-SD 3.52Å; M85-M182 VanDerWaalsContact CG-SD 3.52Å; M85-M182 HydrophobicContact SD-SD 3.95Å; M85-V237 HydrophobicContact SD-CG1 4.21Å; M85-L242 HydrophobicContact SD-CD2 4.04Å; M85-M250 HydrophobicContact CE-CE 3.78Å; M85-M250 HydrophobicContact CE-SD 3.61Å; M85-L253 HydrophobicContact CE-CD1 3.37Å; M85-L253 HydrophobicContact CE-CD2 4.28Å; M85-L253 HydrophobicContact CE-CG 4.47Å; M85-L253 HydrophobicContact SD-CD1 3.49Å; M85-L253 WeakPolarHBondContact SD-CD1 3.48Å
86R98.8Very high98.7Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-67.3-33.8179.277.182.5175.5174.9-8.4112.5I74 T82 T83 L84 L89 D90 C97 G98 K159 S279 L280I74-R86 HydrophobicContact CD1-CB 3.54Å; T82-R86 PolarHBondContact O-N 3.18Å; T83-R86 WeakPolarHBondContact O-CG 3.28Å; L84-R86 PolarHBondContact O-N 3.07Å; R86-L89 PolarHBondContact O-N 3.08Å; R86-D90 VanDerWaalsContact CD-OD2 3.24Å; R86-D90 WeakPolarHBondContact CD-OD2 3.13Å; R86-D90 IonicContact CZ-OD2 2.73Å; R86-D90 IonicContact NE-OD2 2.72Å; R86-D90 IonicContact NH1-OD2 2.73Å; R86-D90 PolarHBondContact NH1-OD2 3.49Å; R86-D90 WeakPolarHBondContact O-CB 3.41Å; R86-D90 PolarHBondContact O-N 3.33Å; R86-C97 HydrophobicContact CB-CB 3.88Å; R86-G98 VanDerWaalsContact CD-O 3.3Å; R86-G98 WeakPolarHBondContact CD-O 3.46Å; R86-G98 PolarHBondContact NE-O 2.87Å; R86-G98 PolarHBondContact NH1-O 3.48Å; R86-K159 HydrophobicContact CB-CB 3.82Å; R86-K159 HydrophobicContact CB-CG 4.02Å; R86-K159 HydrophobicContact CG-CB 3.95Å; R86-K159 HydrophobicContact CG-CD 4.48Å; R86-K159 HydrophobicContact CG-CG 3.97Å; R86-S279 VanDerWaalsContact CZ-O 3.29Å; R86-S279 PolarHBondContact NH1-O 2.96Å; R86-S279 PolarHBondContact NH2-O 2.73Å; R86-L280 VanDerWaalsContact NH2-CD2 3.29Å
87A98.8Very high98.7Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-69.3-38.2178.400000111.9T83 L84 M85 L89 D90 A91 V278 V290T83-A87 VanDerWaalsContact O-CB 3.26Å; T83-A87 WeakPolarHBondContact O-CB 3.45Å; T83-A87 PolarHBondContact O-N 2.89Å; L84-A87 PolarHBondContact O-N 2.96Å; L84-A87 VanDerWaalsContact O-N 3.14Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.02Å; A87-L89 VanDerWaalsContact C-N 3.26Å; A87-L89 PolarHBondContact O-N 3.32Å; A87-D90 PolarHBondContact O-N 3.48Å; A87-A91 PolarHBondContact O-N 3.4Å; A87-V278 HydrophobicContact CB-CG1 3.78Å; A87-V278 WeakPolarHBondContact O-CG2 3.47Å; A87-V290 HydrophobicContact CB-CG2 3.41Å; A87-V290 VanDerWaalsContact CB-CG2 3.41Å
88M98.9Very high98.7Very high0 Ų011.9 Ų11.90%07%0.069CC..Hα-helixtrans-63-33.4172.2-66.7175.678.700111.9L84 M85 L242 P246 M250 V265 L266 V294L84-M88 HydrophobicContact CD1-CG 4.19Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CG-CG 4.46Å; L84-M88 HydrophobicContact CG-SD 4.03Å; L84-M88 WeakPolarHBondContact O-CG 3.42Å; L84-M88 PolarHBondContact O-N 2.95Å; M85-M88 PolarHBondContact O-N 2.86Å; M88-L242 HydrophobicContact CE-CD1 4.15Å; M88-L242 HydrophobicContact SD-CD1 4.09Å; M88-L242 HydrophobicContact SD-CD2 4.22Å; M88-L242 HydrophobicContact SD-CG 4.32Å; M88-P246 HydrophobicContact CE-CB 3.93Å; M88-M250 HydrophobicContact CB-CE 4.02Å; M88-M250 HydrophobicContact CB-SD 4.19Å; M88-M250 HydrophobicContact CE-CG 3.41Å; M88-M250 VanDerWaalsContact CE-CG 3.41Å; M88-M250 HydrophobicContact CE-SD 3.66Å; M88-M250 HydrophobicContact SD-SD 4.25Å; M88-V265 WeakPolarHBondContact CE-O 3.32Å; M88-V265 WeakPolarHBondContact O-CA 3.47Å; M88-V265 VanDerWaalsContact O-CB 3.32Å; M88-V265 WeakPolarHBondContact O-CB 3.31Å; M88-V265 WeakPolarHBondContact O-CG1 3.12Å; M88-L266 HydrophobicContact CE-CD2 4.43Å; M88-V294 HydrophobicContact CE-CG2 4.11Å; M88-V294 HydrophobicContact SD-CG2 4.11Å
89L98.9Very high98.7Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-75.7-43.3172.2-67.3-172.2000113.2I72 I74 M85 R86 A87 A91 H92 I95 L180 M250 L253 L254 L257I72-L89 HydrophobicContact CG2-CD1 4.22Å; I74-L89 HydrophobicContact CD1-CD1 3.88Å; M85-L89 HydrophobicContact CE-CD1 4.37Å; M85-L89 HydrophobicContact CE-CD2 4.11Å; M85-L89 HydrophobicContact CE-CG 3.86Å; M85-L89 PolarHBondContact O-N 2.93Å; R86-L89 PolarHBondContact O-N 3.08Å; A87-L89 VanDerWaalsContact C-N 3.26Å; A87-L89 PolarHBondContact O-N 3.32Å; L89-A91 PolarHBondContact O-N 3.48Å; L89-A91 VanDerWaalsContact O-N 3.14Å; L89-H92 WeakPolarHBondContact O-CA 3.38Å; L89-H92 WeakPolarHBondContact O-CB 3.26Å; L89-H92 PolarHBondContact O-N 3.16Å; L89-I95 HydrophobicContact CB-CD1 4.38Å; L89-I95 HydrophobicContact CB-CG2 4.1Å; L89-I95 HydrophobicContact CD2-CD1 3.97Å; L89-I95 WeakPolarHBondContact O-CB 3.22Å; L89-L180 HydrophobicContact CD1-CD1 3.94Å; L89-M250 HydrophobicContact CD2-CE 3.7Å; L89-L253 HydrophobicContact CD2-CD2 3.75Å; L89-L254 HydrophobicContact CD2-CD2 4.15Å; L89-L257 HydrophobicContact CD1-CD1 4.33Å
90D98.8Very high98.7Very high1 Ų114 Ų141%0.0058%0.078CC..Hα-helixtrans-58-24.2174.9-83.4-42.1000112.4R86 A87 H92 C97 G98 G277 V278R86-D90 VanDerWaalsContact CD-OD2 3.24Å; R86-D90 WeakPolarHBondContact CD-OD2 3.13Å; R86-D90 IonicContact CZ-OD2 2.73Å; R86-D90 IonicContact NE-OD2 2.72Å; R86-D90 IonicContact NH1-OD2 2.73Å; R86-D90 PolarHBondContact NH1-OD2 3.49Å; R86-D90 WeakPolarHBondContact O-CB 3.41Å; R86-D90 PolarHBondContact O-N 3.33Å; A87-D90 PolarHBondContact O-N 3.48Å; D90-H92 PolarHBondContact O-N 3.25Å; D90-C97 WeakPolarHBondContact OD1-CA 3.46Å; D90-C97 WeakPolarHBondContact OD1-CB 3.33Å; D90-C97 PolarHBondContact OD1-N 3.06Å; D90-G98 PolarHBondContact OD1-N 3.04Å; D90-G98 PolarHBondContact OD2-N 3.03Å; D90-G277 CarbonylContact O-C 3.51Å; D90-G277 WeakPolarHBondContact O-CA 3.29Å; D90-V278 HydrophobicContact CB-CB 4.22Å; D90-V278 HydrophobicContact CB-CG1 4.3Å; D90-V278 HydrophobicContact CB-CG2 3.86Å
91A98.7Very high98.7Very high0 Ų015 Ų150%08%0.084CC..THydrogen-bonded Turntrans-72.6-17.8173.900000112.9A87 L89 S264 H268 M271 V278A87-A91 PolarHBondContact O-N 3.4Å; L89-A91 PolarHBondContact O-N 3.48Å; L89-A91 VanDerWaalsContact O-N 3.14Å; A91-S264 WeakPolarHBondContact CB-O 3.38Å; A91-S264 WeakPolarHBondContact O-CB 3.44Å; A91-S264 PolarHBondContact O-OG 3.38Å; A91-H268 HydrophobicContact CB-CB 3.93Å; A91-M271 HydrophobicContact CB-CB 4.12Å; A91-M271 HydrophobicContact CB-CG 4.03Å; A91-V278 HydrophobicContact CB-CG2 4.22Å
92H98.8Very high98.6Very high2 Ų221 Ų211%0.00910%0.102CC..SBendtrans-73.9128.1173.7-167.5-74.2000109.5L89 D90 D94 I95 P260 N262 V265L89-H92 WeakPolarHBondContact O-CA 3.38Å; L89-H92 WeakPolarHBondContact O-CB 3.26Å; L89-H92 PolarHBondContact O-N 3.16Å; D90-H92 PolarHBondContact O-N 3.25Å; H92-D94 IonicContact CE1-OD2 2.76Å; H92-D94 PolarHBondContact CE1-OD2 3Å; H92-D94 PolarHBondContact ND1-N 3.36Å; H92-D94 VanDerWaalsContact ND1-N 3.18Å; H92-D94 IonicContact ND1-OD2 3.61Å; H92-D94 PolarHBondContact O-N 2.89Å; H92-I95 HydrophobicContact CB-CB 4.15Å; H92-I95 HydrophobicContact CB-CD1 3.78Å; H92-I95 HydrophobicContact CB-CG1 3.88Å; H92-I95 PolarHBondContact O-N 2.95Å; H92-P260 PolarHBondContact NE2-O 3.5Å; H92-N262 VanDerWaalsContact CD2-CB 3.41Å; H92-N262 WeakPolarHBondContact CD2-CB 3.35Å; H92-N262 WeakPolarHBondContact NE2-CB 3.49Å; H92-V265 HydrophobicContact CB-CG1 3.87Å
93P98.3Very high98.6Very high67 Ų6723.4 Ų23.444%0.43512%0.117SC..THydrogen-bonded Turntrans-60.7-25-172.724.5-35.6000114.1N262P93-N262 WeakPolarHBondContact CD-ND2 3.38Å; P93-N262 WeakPolarHBondContact CG-ND2 3.24Å
94D98.4Very high98.6Very high61 Ų6123.2 Ų23.233%0.32612%0.116SC..THydrogen-bonded Turntrans-96.3-1.1-179.2-55.2-43.4000114.9H92 P154 Y155H92-D94 IonicContact CE1-OD2 2.76Å; H92-D94 PolarHBondContact CE1-OD2 3Å; H92-D94 PolarHBondContact ND1-N 3.36Å; H92-D94 VanDerWaalsContact ND1-N 3.18Å; H92-D94 IonicContact ND1-OD2 3.61Å; H92-D94 PolarHBondContact O-N 2.89Å; D94-P154 HydrophobicContact CB-CB 4.17Å; D94-P154 HydrophobicContact CB-CG 3.96Å; D94-P154 WeakPolarHBondContact O-CD 3.15Å; D94-Y155 HydrophobicContact CB-CD2 3.88Å; D94-Y155 HydrophobicContact CB-CE2 4.12Å; D94-Y155 WeakPolarHBondContact O-CD2 3.26Å; D94-Y155 PolarHBondContact O-N 3.42Å
95I98.8Very high98.6Very high4 Ų423.4 Ų23.42%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-119.3131.7-175.6-49.4174.9000110.4I72 L89 H92 Y155 C157 L254 I259I72-I95 HydrophobicContact CD1-CG2 4.01Å; L89-I95 HydrophobicContact CB-CD1 4.38Å; L89-I95 HydrophobicContact CB-CG2 4.1Å; L89-I95 HydrophobicContact CD2-CD1 3.97Å; L89-I95 WeakPolarHBondContact O-CB 3.22Å; H92-I95 HydrophobicContact CB-CB 4.15Å; H92-I95 HydrophobicContact CB-CD1 3.78Å; H92-I95 HydrophobicContact CB-CG1 3.88Å; H92-I95 PolarHBondContact O-N 2.95Å; I95-Y155 WeakPolarHBondContact CA-O 3.39Å; I95-Y155 HydrophobicContact CG1-CD2 4.33Å; I95-C157 HydrophobicContact CG2-CB 4.2Å; I95-L254 HydrophobicContact CD1-CD2 3.97Å; I95-I259 HydrophobicContact CD1-CD1 3.65Å; I95-I259 HydrophobicContact CD1-CG2 4.2Å; I95-I259 HydrophobicContact CG1-CD1 3.97Å; I95-I259 HydrophobicContact CG1-CG2 4.46Å
96R98.6Very high98.6Very high19 Ų1930.9 Ų30.97%0.07215%0.147CC..EExtended strand (participates in β ladder)trans-126.4116.9168.3-169.4-82.5-67.1167.2-5.8111.2I146 V147 H149 G150 E151 A153 Y155 C157R96-I146 VanDerWaalsContact CZ-O 3.25Å; R96-I146 PolarHBondContact NH1-O 3.42Å; R96-I146 PolarHBondContact NH2-O 3.02Å; R96-V147 PolarHBondContact NH2-O 3.33Å; R96-H149 PolarHBondContact NH1-CE1 3.46Å; R96-H149 VanDerWaalsContact NH1-CE1 3.32Å; R96-H149 PolarHBondContact NH1-NE2 2.94Å; R96-H149 VanDerWaalsContact NH1-NE2 3.1Å; R96-G150 PolarHBondContact NH2-O 3.16Å; R96-E151 PolarHBondContact NE-O 3.34Å; R96-E151 PolarHBondContact NH2-O 3.36Å; R96-A153 HydrophobicContact CB-CB 3.53Å; R96-Y155 PolarHBondContact N-O 3.3Å; R96-C157 WeakPolarHBondContact O-CB 3.43Å; R96-C157 PolarHBondContact O-N 3.09Å
97C98.8Very high98.6Very high0 Ų032.6 Ų32.60%016%0.156CC..  trans-92.9-62166.2-61.30000111.3R86 D90 H149 C157R86-C97 HydrophobicContact CB-CB 3.88Å; D90-C97 WeakPolarHBondContact OD1-CA 3.46Å; D90-C97 WeakPolarHBondContact OD1-CB 3.33Å; D90-C97 PolarHBondContact OD1-N 3.06Å; C97-H149 PolarHBondContact O-CE1 3.3Å; C97-H149 VanDerWaalsContact O-CE1 3.27Å; C97-C157 WeakPolarHBondContact CA-O 3.41Å; C97-C157 HydrophobicContact CB-CB 3.67Å; C97-C157 WeakPolarHBondContact CB-SG 3.32Å; C97-C157 WeakPolarHBondContact SG-CB 3.03Å; C97-C157 CovalentContact SG-SG 2.03Å; C97-C157 PolarHBondContact SG-SG 3.29Å
98G98.1Very high98.6Very high2 Ų232.7 Ų32.72%0.02116%0.156CC..  trans77.5-159.5-171.800000114.6R86 D90R86-G98 VanDerWaalsContact CD-O 3.3Å; R86-G98 WeakPolarHBondContact CD-O 3.46Å; R86-G98 PolarHBondContact NE-O 2.87Å; R86-G98 PolarHBondContact NH1-O 3.48Å; D90-G98 PolarHBondContact OD1-N 3.04Å; D90-G98 PolarHBondContact OD2-N 3.03Å
99E98.6Very high98.5Very high40 Ų4035 Ų3519%0.18718%0.175CC..SBendtrans-76.5170.2-175.3-6182.917800114T101 S279 E284E99-T101 PolarHBondContact O-N 3.2Å; E99-S279 VanDerWaalsContact OE1-CB 3.25Å; E99-S279 WeakPolarHBondContact OE1-CB 3.48Å; E99-S279 PolarHBondContact OE1-OG 2.76Å; E99-E284 WeakPolarHBondContact CB-OE1 3.41Å
100E98.6Very high98.5Very high48 Ų4838.6 Ų38.622%0.22419%0.194CC..  trans-66.2122.9168.3-64.4-173.3172.900110.6R102 K159 E284E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 HydrophobicContact CB-CG 4.38Å; E100-R102 PolarHBondContact O-N 3.39Å; E100-K159 VanDerWaalsContact CD-NZ 3.28Å; E100-K159 HydrophobicContact CG-CD 4.22Å; E100-K159 VanDerWaalsContact CG-CE 3.45Å; E100-K159 IonicContact OE1-NZ 2.78Å; E100-K159 PolarHBondContact OE1-NZ 3.47Å; E100-E284 PolarHBondContact N-OE1 3.42Å
101T98.6Very high98.5Very high21 Ų2138.8 Ų38.813%0.12920%0.195CC..  trans-74.9-26.9-179.171.20000111.8E99 V103 I104 V145 N158 D160E99-T101 PolarHBondContact O-N 3.2Å; T101-V103 PolarHBondContact O-N 3.21Å; T101-I104 HydrophobicContact CG2-CD1 3.98Å; T101-I104 WeakPolarHBondContact OG1-CB 3.34Å; T101-I104 WeakPolarHBondContact OG1-CD1 3.33Å; T101-I104 VanDerWaalsContact OG1-CG1 3.29Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.3Å; T101-V145 HydrophobicContact CG2-CG1 3.74Å; T101-N158 WeakPolarHBondContact CG2-ND2 3.45Å; T101-D160 WeakPolarHBondContact CB-OD2 3.32Å; T101-D160 PolarHBondContact N-OD1 2.95Å; T101-D160 PolarHBondContact N-OD2 2.85Å; T101-D160 VanDerWaalsContact N-OD2 3.12Å; T101-D160 PolarHBondContact OG1-OD2 3.38Å
102R98Very high98.4Very high141 Ų14141.1 Ų41.153%0.53221%0.206SC..SBendtrans64.8-33.9-177.7-46177.864.972.5-3.6114.5E100 P105 R106 D160E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 HydrophobicContact CB-CG 4.38Å; E100-R102 PolarHBondContact O-N 3.39Å; R102-P105 WeakPolarHBondContact O-CD 3.31Å; R102-P105 WeakPolarHBondContact O-CG 3.29Å; R102-R106 WeakPolarHBondContact O-CD 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.4Å; R102-D160 PolarHBondContact N-OD1 3.36Å
103V98.5Very high98.4Very high56 Ų5647.6 Ų47.634%0.33924%0.237SC..Hα-helixtrans-75.7-34.3-178.3-63.20000112.4T101 R106 I107 V145T101-V103 PolarHBondContact O-N 3.21Å; V103-R106 WeakPolarHBondContact O-CB 3.35Å; V103-R106 PolarHBondContact O-N 3Å; V103-I107 PolarHBondContact O-N 3.21Å; V103-V145 HydrophobicContact CG2-CG1 3.88Å; V103-V145 HydrophobicContact CG2-CG2 3.99Å
104I98.8Very high98.4Very high0 Ų048.7 Ų48.70%023%0.233CC..Hα-helixtrans-57.7-55178.4-70.8177.6000112.4T101 R106 I107 L108 L142 V145 I146 A163T101-I104 HydrophobicContact CG2-CD1 3.98Å; T101-I104 WeakPolarHBondContact OG1-CB 3.34Å; T101-I104 WeakPolarHBondContact OG1-CD1 3.33Å; T101-I104 VanDerWaalsContact OG1-CG1 3.29Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.3Å; I104-R106 PolarHBondContact O-N 3.02Å; I104-I107 VanDerWaalsContact O-CG2 3.31Å; I104-I107 WeakPolarHBondContact O-CG2 3.44Å; I104-I107 PolarHBondContact O-N 2.87Å; I104-L108 HydrophobicContact CG2-CD1 3.66Å; I104-L108 HydrophobicContact CG2-CG 4.4Å; I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.31Å; I104-L108 PolarHBondContact O-N 2.65Å; I104-L142 HydrophobicContact CB-CD2 4.12Å; I104-L142 HydrophobicContact CD1-CD2 4.39Å; I104-L142 HydrophobicContact CG1-CD2 3.75Å; I104-L142 HydrophobicContact CG2-CD2 3.78Å; I104-V145 HydrophobicContact CD1-CB 4.47Å; I104-V145 HydrophobicContact CD1-CG1 4.03Å; I104-V145 HydrophobicContact CG1-CB 4.48Å; I104-V145 HydrophobicContact CG1-CG1 4.1Å; I104-I146 HydrophobicContact CD1-CD1 4.22Å; I104-I146 HydrophobicContact CD1-CG1 3.7Å; I104-A163 HydrophobicContact CG2-CB 4.2Å
105P98.4Very high98.2Very high30 Ų3048.1 Ų48.120%0.19523%0.234CC..Hα-helixtrans-64.2-27.1179.123.4-33.8000112.8R102 A109 D160R102-P105 WeakPolarHBondContact O-CD 3.31Å; R102-P105 WeakPolarHBondContact O-CG 3.29Å; P105-A109 WeakPolarHBondContact O-CB 3.15Å; P105-A109 PolarHBondContact O-N 3.01Å; P105-D160 HydrophobicContact CG-CB 4.03Å
106R98.5Very high98.1Very high156 Ų15656.4 Ų56.459%0.58927%0.265SS*.Hα-helixtrans-70-49.4177.3-68.8170.2179.2176.7-4.4111.8R102 V103 I104 L108 A109 L110R102-R106 WeakPolarHBondContact O-CD 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.4Å; V103-R106 WeakPolarHBondContact O-CB 3.35Å; V103-R106 PolarHBondContact O-N 3Å; I104-R106 PolarHBondContact O-N 3.02Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.29Å; R106-A109 PolarHBondContact O-N 2.95Å; R106-L110 PolarHBondContact O-N 2.93Å
107I98.7Very high98Very high36 Ų3658 Ų5819%0.18528%0.279CS..Hα-helixtrans-67.7-35.6178.6-163.3174.2000111.4V103 I104 L110 K111 M138 F141 L142V103-I107 PolarHBondContact O-N 3.21Å; I104-I107 VanDerWaalsContact O-CG2 3.31Å; I104-I107 WeakPolarHBondContact O-CG2 3.44Å; I104-I107 PolarHBondContact O-N 2.87Å; I107-L110 PolarHBondContact O-N 3.07Å; I107-K111 PolarHBondContact O-N 3.23Å; I107-M138 HydrophobicContact CD1-CE 4.48Å; I107-M138 HydrophobicContact CD1-SD 3.83Å; I107-M138 HydrophobicContact CG1-CE 4.06Å; I107-M138 HydrophobicContact CG1-SD 3.76Å; I107-M138 HydrophobicContact CG2-CE 4.02Å; I107-F141 HydrophobicContact CB-CE1 4.2Å; I107-F141 HydrophobicContact CD1-CB 4.25Å; I107-F141 HydrophobicContact CD1-CD1 3.46Å; I107-F141 VanDerWaalsContact CD1-CD1 3.46Å; I107-F141 HydrophobicContact CD1-CD2 3.91Å; I107-F141 HydrophobicContact CD1-CE1 3.69Å; I107-F141 HydrophobicContact CD1-CE2 4.1Å; I107-F141 HydrophobicContact CD1-CG 3.59Å; I107-F141 HydrophobicContact CD1-CZ 4Å; I107-F141 HydrophobicContact CG2-CD1 3.89Å; I107-F141 HydrophobicContact CG2-CE1 3.71Å; I107-L142 HydrophobicContact CG2-CD2 4.03Å
108L98.7Very high97.9Very high3 Ų362.5 Ų62.52%0.01631%0.311CS..Hα-helixtrans-62.2-42.1173.1-73.5170.3000112.2I104 R106 Q112 M138 L142 A163 Y169 L170I104-L108 HydrophobicContact CG2-CD1 3.66Å; I104-L108 HydrophobicContact CG2-CG 4.4Å; I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.31Å; I104-L108 PolarHBondContact O-N 2.65Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.29Å; L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 3.27Å; L108-M138 HydrophobicContact CD2-CE 3.92Å; L108-M138 HydrophobicContact CG-CE 4.46Å; L108-L142 HydrophobicContact CD2-CD1 4.29Å; L108-A163 HydrophobicContact CD1-CB 4.04Å; L108-Y169 HydrophobicContact CD2-CD1 3.92Å; L108-Y169 HydrophobicContact CD2-CE1 4.08Å; L108-L170 HydrophobicContact CD1-CD1 4.12Å; L108-L170 HydrophobicContact CD1-CD2 4.25Å; L108-L170 HydrophobicContact CD1-CG 4.37Å; L108-L170 HydrophobicContact CD2-CD2 4.03Å; L108-L170 HydrophobicContact CD2-CG 4.35Å
109A98.1Very high97.9Very high47 Ų4770.2 Ų70.239%0.38834%0.344SS..Hα-helixtrans-64.1-42.2176.400000111.6P105 R106 Q112 M113P105-A109 WeakPolarHBondContact O-CB 3.15Å; P105-A109 PolarHBondContact O-N 3.01Å; R106-A109 PolarHBondContact O-N 2.95Å; A109-Q112 WeakPolarHBondContact O-CB 3.49Å; A109-Q112 PolarHBondContact O-N 3.2Å; A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.9Å
110L98.4Very high97.9Very high76 Ų7671 Ų7140%0.39835%0.348SS..Hα-helixtrans-65.1-45.5178.3174.3147000111.9R106 I107 Q112 M113 W114R106-L110 PolarHBondContact O-N 2.93Å; I107-L110 PolarHBondContact O-N 3.07Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.36Å; L110-M113 WeakPolarHBondContact O-CB 3.42Å; L110-M113 PolarHBondContact O-N 2.96Å; L110-M113 VanDerWaalsContact O-N 3.16Å; L110-W114 HydrophobicContact CD1-CZ2 4.42Å; L110-W114 HydrophobicContact CD2-CD2 4.06Å; L110-W114 HydrophobicContact CD2-CE3 4.04Å; L110-W114 HydrophobicContact CD2-CH2 3.14Å; L110-W114 HydrophobicContact CD2-CZ2 3.13Å; L110-W114 HydrophobicContact CD2-CZ3 3.6Å; L110-W114 HydrophobicContact CG-CH2 4.33Å; L110-W114 HydrophobicContact CG-CZ2 3.87Å; L110-W114 PolarHBondContact O-N 3.28Å
111K98.4Very high97.8Very high5 Ų572.1 Ų72.12%0.02235%0.352CS..Hα-helixtrans-58.6-41.6170.9174.757.4170.669.40112.2I107 M113 W114 S115 D131 L134 M138 Y169I107-K111 PolarHBondContact O-N 3.23Å; K111-M113 VanDerWaalsContact C-N 3.32Å; K111-M113 PolarHBondContact O-N 3.1Å; K111-W114 HydrophobicContact CD-CE3 4.08Å; K111-W114 PolarHBondContact O-N 3.1Å; K111-S115 PolarHBondContact NZ-OG 2.96Å; K111-S115 PolarHBondContact O-N 3.39Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 3.12Å; K111-D131 IonicContact NZ-OD1 3.89Å; K111-L134 HydrophobicContact CD-CB 4.31Å; K111-L134 HydrophobicContact CD-CD1 4.26Å; K111-L134 VanDerWaalsContact CE-CB 3.49Å; K111-M138 HydrophobicContact CB-CE 4.04Å; K111-M138 HydrophobicContact CB-SD 4.13Å; K111-M138 HydrophobicContact CG-CE 4.46Å; K111-M138 HydrophobicContact CG-CG 4.36Å; K111-M138 HydrophobicContact CG-SD 4.49Å; K111-Y169 VanDerWaalsContact CE-OH 3.31Å; K111-Y169 WeakPolarHBondContact CE-OH 3.39Å; K111-Y169 HydrophobicContact CG-CE1 4.14Å; K111-Y169 WeakPolarHBondContact CG-OH 3.5Å
112Q97.6Very high97.8Very high50 Ų5076.1 Ų76.123%0.23437%0.371CS..Hα-helixtrans-63.8-36.8177.5179.9173.58000112.1L108 A109 L110 S115 R116L108-Q112 WeakPolarHBondContact O-CB 3.34Å; L108-Q112 PolarHBondContact O-N 3.27Å; A109-Q112 WeakPolarHBondContact O-CB 3.49Å; A109-Q112 PolarHBondContact O-N 3.2Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 3.36Å; Q112-S115 PolarHBondContact O-N 3.36Å; Q112-R116 HydrophobicContact CG-CG 4.36Å; Q112-R116 WeakPolarHBondContact O-CB 3.42Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.34Å; Q112-R116 PolarHBondContact O-N 3.45Å
113M97.8Very high97.9Very high137 Ų13777.1 Ų77.168%0.67538%0.375SS*.Hα-helixtrans-63.1-44.7176-73.3173.559.900111.9A109 L110 K111 S115 R116 S117A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.9Å; L110-M113 WeakPolarHBondContact O-CB 3.42Å; L110-M113 PolarHBondContact O-N 2.96Å; L110-M113 VanDerWaalsContact O-N 3.16Å; K111-M113 VanDerWaalsContact C-N 3.32Å; K111-M113 PolarHBondContact O-N 3.1Å; M113-S115 PolarHBondContact O-N 3.23Å; M113-R116 PolarHBondContact O-N 3.43Å; M113-S117 PolarHBondContact O-N 3.19Å
114W97.7Very high97.8Very high90 Ų9075.8 Ų75.834%0.34137%0.366SS..Hα-helixtrans-59.1-47.6175.5-59.7-29.6000111.8L110 K111 R116 S117 L124 L134L110-W114 HydrophobicContact CD1-CZ2 4.42Å; L110-W114 HydrophobicContact CD2-CD2 4.06Å; L110-W114 HydrophobicContact CD2-CE3 4.04Å; L110-W114 HydrophobicContact CD2-CH2 3.14Å; L110-W114 HydrophobicContact CD2-CZ2 3.13Å; L110-W114 HydrophobicContact CD2-CZ3 3.6Å; L110-W114 HydrophobicContact CG-CH2 4.33Å; L110-W114 HydrophobicContact CG-CZ2 3.87Å; L110-W114 PolarHBondContact O-N 3.28Å; K111-W114 HydrophobicContact CD-CE3 4.08Å; K111-W114 PolarHBondContact O-N 3.1Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 3.03Å; W114-S117 PolarHBondContact O-N 3.27Å; W114-L124 HydrophobicContact CB-CD1 4.01Å; W114-L124 HydrophobicContact CG-CD1 4.41Å; W114-L134 HydrophobicContact CE3-CD2 4.27Å; W114-L134 HydrophobicContact CZ3-CD2 4.03Å
115S95.1Very high97.8Very high50 Ų5079 Ų7935%0.3538%0.383SS..Hα-helixtrans-69.9-21.7-179.3-64.50000114.5K111 Q112 M113K111-S115 PolarHBondContact NZ-OG 2.96Å; K111-S115 PolarHBondContact O-N 3.39Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 3.12Å; Q112-S115 PolarHBondContact O-N 3.36Å; M113-S115 PolarHBondContact O-N 3.23Å
116R95.6Very high97.8Very high177 Ų17785.4 Ų85.467%0.66841%0.41SS*.Hα-helixtrans-83-23.4177.1-78.4179.8177.1-177.61.9113.6Q112 M113 W114Q112-R116 HydrophobicContact CG-CG 4.36Å; Q112-R116 WeakPolarHBondContact O-CB 3.42Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.34Å; Q112-R116 PolarHBondContact O-N 3.45Å; M113-R116 PolarHBondContact O-N 3.43Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 3.03Å
117S97.8Very high97.8Very high53 Ų5381.4 Ų81.437%0.37141%0.41SS..  trans-90.9104.9178.4175.70000109.8M113 W114 K119 E120 K121M113-S117 PolarHBondContact O-N 3.19Å; W114-S117 PolarHBondContact O-N 3.27Å; S117-K119 PolarHBondContact O-N 3.08Å; S117-E120 PolarHBondContact O-N 2.95Å; S117-E120 VanDerWaalsContact O-N 3.08Å; S117-E120 PolarHBondContact OG-N 2.82Å; S117-K121 PolarHBondContact O-N 3.38Å
118S97.3Very high97.8Very high95 Ų9581.8 Ų81.866%0.66442%0.424SS*.Hα-helixtrans-56.6-38178.9-51.50000112.3K121 I122S118-K121 PolarHBondContact O-N 3.08Å; S118-I122 VanDerWaalsContact O-CG1 3.31Å; S118-I122 WeakPolarHBondContact O-CG1 3.42Å; S118-I122 PolarHBondContact O-N 3.27Å
119K98Very high97.7Very high163 Ų16383.9 Ų83.971%0.70944%0.436SS*.Hα-helixtrans-64.9-42.2177.2-172.9176.3-177.4176.70111.9S117 R123S117-K119 PolarHBondContact O-N 3.08Å; K119-R123 WeakPolarHBondContact O-CG 3.49Å; K119-R123 PolarHBondContact O-N 2.9Å
120E98.2Very high97.7Very high58 Ų5884.1 Ų84.127%0.27143%0.433SS..Hα-helixtrans-70.1-39.4177.8-171.261.5-17200111.2S117 I122 R123 L124S117-E120 PolarHBondContact O-N 2.95Å; S117-E120 VanDerWaalsContact O-N 3.08Å; S117-E120 PolarHBondContact OG-N 2.82Å; E120-I122 PolarHBondContact O-N 3.48Å; E120-R123 PolarHBondContact O-N 3.36Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E120-R123 IonicContact OE2-NH1 3.58Å; E120-L124 HydrophobicContact CG-CD1 4.17Å; E120-L124 HydrophobicContact CG-CG 4.45Å; E120-L124 WeakPolarHBondContact O-CG 3.38Å; E120-L124 PolarHBondContact O-N 3.28Å
121K96.9Very high97.7Very high71 Ų7182.8 Ų82.831%0.30943%0.426SS..Hα-helixtrans-57.5-47.1175.5-170.3171-173.9169.30111.9S117 S118 R123 L124 D125 D131S117-K121 PolarHBondContact O-N 3.38Å; S118-K121 PolarHBondContact O-N 3.08Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 3.44Å; K121-L124 PolarHBondContact O-N 2.88Å; K121-D125 WeakPolarHBondContact O-CB 3.16Å; K121-D125 VanDerWaalsContact O-CG 3.28Å; K121-D125 PolarHBondContact O-N 2.83Å; K121-D131 WeakPolarHBondContact CE-OD2 3.26Å; K121-D131 IonicContact NZ-OD2 3.81Å; K121-D131 PolarHBondContact NZ-OD2 2.88Å
122I98.1Very high97.7Very high105 Ų10588.7 Ų88.754%0.53846%0.458SS..Hα-helixtrans-57.4-45175.2-67.9163.5000110.9S118 E120 L124 D125 E126S118-I122 VanDerWaalsContact O-CG1 3.31Å; S118-I122 WeakPolarHBondContact O-CG1 3.42Å; S118-I122 PolarHBondContact O-N 3.27Å; E120-I122 PolarHBondContact O-N 3.48Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 3.44Å; I122-D125 PolarHBondContact O-N 2.96Å; I122-E126 HydrophobicContact CG2-CG 4.3Å; I122-E126 WeakPolarHBondContact O-CB 3.28Å; I122-E126 VanDerWaalsContact O-CG 3.29Å; I122-E126 WeakPolarHBondContact O-CG 3.43Å; I122-E126 PolarHBondContact O-N 2.84Å
123R98.5Very high97.7Very high161 Ų16189.9 Ų89.961%0.60847%0.469SS*.Hα-helixtrans-63.2-39.5179.3-67.2176.878.2-168.26.7112.8K119 E120 K121 A127K119-R123 WeakPolarHBondContact O-CG 3.49Å; K119-R123 PolarHBondContact O-N 2.9Å; E120-R123 PolarHBondContact O-N 3.36Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E120-R123 IonicContact OE2-NH1 3.58Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 3.44Å; R123-A127 WeakPolarHBondContact O-CB 3.23Å; R123-A127 PolarHBondContact O-N 2.77Å; R123-A127 VanDerWaalsContact O-N 3.12Å
124L98.4Very high97.7Very high29 Ų2984.2 Ų84.215%0.15244%0.441CS..Hα-helixtrans-66.9-43.7177-69.8169.9000111W114 E120 K121 I122 A127 G128 V129 L134W114-L124 HydrophobicContact CB-CD1 4.01Å; W114-L124 HydrophobicContact CG-CD1 4.41Å; E120-L124 HydrophobicContact CG-CD1 4.17Å; E120-L124 HydrophobicContact CG-CG 4.45Å; E120-L124 WeakPolarHBondContact O-CG 3.38Å; E120-L124 PolarHBondContact O-N 3.28Å; K121-L124 PolarHBondContact O-N 2.88Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 3.44Å; L124-A127 CarbonylContact O-C 3.42Å; L124-A127 PolarHBondContact O-N 3.07Å; L124-A127 VanDerWaalsContact O-N 3.14Å; L124-G128 PolarHBondContact O-N 3.09Å; L124-V129 HydrophobicContact CB-CB 4.29Å; L124-V129 HydrophobicContact CD2-CB 4.11Å; L124-V129 HydrophobicContact CD2-CG1 4.11Å; L124-V129 CarbonylContact O-C 3.54Å; L124-V129 WeakPolarHBondContact O-CA 3.32Å; L124-V129 PolarHBondContact O-N 3.47Å; L124-L134 HydrophobicContact CD1-CD1 4.32Å
125D97.9Very high97.8Very high66 Ų6680.2 Ų80.235%0.35343%0.426SS..Hα-helixtrans-62.6-45.6177.9-69.3-24.7000111.2K121 I122 A127 G128K121-D125 WeakPolarHBondContact O-CB 3.16Å; K121-D125 VanDerWaalsContact O-CG 3.28Å; K121-D125 PolarHBondContact O-N 2.83Å; I122-D125 PolarHBondContact O-N 2.96Å; D125-A127 PolarHBondContact O-N 3.03Å; D125-G128 PolarHBondContact O-N 3.37Å
126E98.1Very high97.9Very high165 Ų16581 Ų8177%0.77143%0.432SS*.Hα-helixtrans-63.8-25.8174.8-68-62.2136.300113I122 G128I122-E126 HydrophobicContact CG2-CG 4.3Å; I122-E126 WeakPolarHBondContact O-CB 3.28Å; I122-E126 VanDerWaalsContact O-CG 3.29Å; I122-E126 WeakPolarHBondContact O-CG 3.43Å; I122-E126 PolarHBondContact O-N 2.84Å; E126-G128 VanDerWaalsContact C-N 3.28Å
127A98.4Very high98.1Very high72 Ų7275.3 Ų75.360%0.59542%0.422SS*.THydrogen-bonded Turntrans-852.3174.500000113.3R123 L124 D125 V129R123-A127 WeakPolarHBondContact O-CB 3.23Å; R123-A127 PolarHBondContact O-N 2.77Å; R123-A127 VanDerWaalsContact O-N 3.12Å; L124-A127 CarbonylContact O-C 3.42Å; L124-A127 PolarHBondContact O-N 3.07Å; L124-A127 VanDerWaalsContact O-N 3.14Å; D125-A127 PolarHBondContact O-N 3.03Å; A127-V129 HydrophobicContact CB-CG2 4.18Å; A127-V129 PolarHBondContact O-N 3.11Å
128G98Very high98.1Very high45 Ų4573.1 Ų73.146%0.46441%0.407SS..THydrogen-bonded Turntrans73.39.3-175.100000114.3L124 D125 E126 T130L124-G128 PolarHBondContact O-N 3.09Å; D125-G128 PolarHBondContact O-N 3.37Å; E126-G128 VanDerWaalsContact C-N 3.28Å; G128-T130 PolarHBondContact O-N 3.06Å; G128-T130 VanDerWaalsContact O-N 3.16Å
129V98.4Very high98.2Very high47 Ų4770.4 Ų70.429%0.28538%0.383SS..  trans-90.662.5177.5-169.60000109L124 A127 V133 L134L124-V129 HydrophobicContact CB-CB 4.29Å; L124-V129 HydrophobicContact CD2-CB 4.11Å; L124-V129 HydrophobicContact CD2-CG1 4.11Å; L124-V129 CarbonylContact O-C 3.54Å; L124-V129 WeakPolarHBondContact O-CA 3.32Å; L124-V129 PolarHBondContact O-N 3.47Å; A127-V129 HydrophobicContact CB-CG2 4.18Å; A127-V129 PolarHBondContact O-N 3.11Å; V129-V133 HydrophobicContact CG1-CG1 4.45Å; V129-L134 HydrophobicContact CG1-CD1 4.44Å; V129-L134 HydrophobicContact CG1-CD2 3.67Å; V129-L134 HydrophobicContact CG1-CG 3.86Å
130T98.1Very high98.2Very high51 Ų5163.6 Ų63.631%0.31336%0.357SS..  trans-68.8171.5-176.266.50000112.4G128 D132 V133 L134G128-T130 PolarHBondContact O-N 3.06Å; G128-T130 VanDerWaalsContact O-N 3.16Å; T130-D132 PolarHBondContact O-N 3.16Å; T130-V133 PolarHBondContact O-N 3.32Å; T130-L134 WeakPolarHBondContact O-CG 3.49Å; T130-L134 PolarHBondContact O-N 3.1Å
131D97.6Very high98.2Very high48 Ų4864.8 Ų64.826%0.25736%0.362SS..Hα-helixtrans-55.1-38.9173.9-82.8-40.5000111.8K111 K121 V133 L134 D135K111-D131 IonicContact NZ-OD1 3.89Å; K121-D131 WeakPolarHBondContact CE-OD2 3.26Å; K121-D131 IonicContact NZ-OD2 3.81Å; K121-D131 PolarHBondContact NZ-OD2 2.88Å; D131-V133 PolarHBondContact O-N 2.73Å; D131-L134 PolarHBondContact O-N 3.34Å; D131-D135 WeakPolarHBondContact O-CB 3.14Å; D131-D135 PolarHBondContact O-N 2.83Å
132D97.8Very high98.3Very high129 Ų12961.4 Ų61.469%0.6935%0.347SS*.Hα-helixtrans-63.9-41.8177.7-69.7-28.6000112.8T130 D135 S136T130-D132 PolarHBondContact O-N 3.16Å; D132-D135 PolarHBondContact O-N 2.99Å; D132-S136 WeakPolarHBondContact O-CB 3.16Å; D132-S136 PolarHBondContact O-N 3.37Å
133V98.3Very high98.3Very high76 Ų7656.7 Ų56.746%0.46132%0.323SS..Hα-helixtrans-64.4-47.1176.6174.30000110.1V129 T130 D131 S136 A137V129-V133 HydrophobicContact CG1-CG1 4.45Å; T130-V133 PolarHBondContact O-N 3.32Å; D131-V133 PolarHBondContact O-N 2.73Å; V133-S136 PolarHBondContact O-N 2.67Å; V133-A137 WeakPolarHBondContact O-CB 3.33Å; V133-A137 PolarHBondContact O-N 3.49Å
134L98.4Very high98.3Very high17 Ų1752.2 Ų52.29%0.08931%0.309CS..Hα-helixtrans-64.5-41.8178.4-70.3170.6000111.8K111 W114 L124 V129 T130 D131 A137 M138K111-L134 HydrophobicContact CD-CB 4.31Å; K111-L134 HydrophobicContact CD-CD1 4.26Å; K111-L134 VanDerWaalsContact CE-CB 3.49Å; W114-L134 HydrophobicContact CE3-CD2 4.27Å; W114-L134 HydrophobicContact CZ3-CD2 4.03Å; L124-L134 HydrophobicContact CD1-CD1 4.32Å; V129-L134 HydrophobicContact CG1-CD1 4.44Å; V129-L134 HydrophobicContact CG1-CD2 3.67Å; V129-L134 HydrophobicContact CG1-CG 3.86Å; T130-L134 WeakPolarHBondContact O-CG 3.49Å; T130-L134 PolarHBondContact O-N 3.1Å; D131-L134 PolarHBondContact O-N 3.34Å; L134-A137 PolarHBondContact O-N 2.98Å; L134-M138 VanDerWaalsContact O-CB 3.3Å; L134-M138 WeakPolarHBondContact O-CB 3.39Å; L134-M138 WeakPolarHBondContact O-CG 3.34Å; L134-M138 PolarHBondContact O-N 3.49Å
135D98.5Very high98.3Very high7 Ų752.1 Ų52.14%0.03731%0.31CS..Hα-helixtrans-65.5-42.6-179.9-70.7-32.7000111.3D131 D132 M138 Q139 Y169 R172 L173D131-D135 WeakPolarHBondContact O-CB 3.14Å; D131-D135 PolarHBondContact O-N 2.83Å; D132-D135 PolarHBondContact O-N 2.99Å; D135-M138 PolarHBondContact O-N 3.06Å; D135-Q139 WeakPolarHBondContact O-CB 3.26Å; D135-Q139 WeakPolarHBondContact O-CG 3.49Å; D135-Q139 PolarHBondContact O-N 3.41Å; D135-Y169 VanDerWaalsContact OD1-CE2 3.25Å; D135-Y169 WeakPolarHBondContact OD1-CE2 3.37Å; D135-Y169 PolarHBondContact OD1-OH 3.18Å; D135-R172 IonicContact OD1-CZ 3.28Å; D135-R172 IonicContact OD1-NH1 2.79Å; D135-R172 IonicContact OD1-NH2 2.93Å; D135-R172 PolarHBondContact OD1-NH2 2.77Å; D135-R172 IonicContact OD2-CZ 3.31Å; D135-R172 IonicContact OD2-NH1 3.22Å; D135-R172 PolarHBondContact OD2-NH1 2.71Å; D135-R172 IonicContact OD2-NH2 2.75Å; D135-R172 PolarHBondContact OD2-NH2 3.06Å; D135-L173 HydrophobicContact CB-CD2 3.57Å; D135-L173 WeakPolarHBondContact OD1-CD2 3.29Å
136S98.2Very high98.3Very high66 Ų6649 Ų4946%0.46229%0.293SS..Hα-helixtrans-61.5-45.5173.9-177.50000111.9D132 V133 M138 Q139 A140D132-S136 WeakPolarHBondContact O-CB 3.16Å; D132-S136 PolarHBondContact O-N 3.37Å; V133-S136 PolarHBondContact O-N 2.67Å; S136-M138 PolarHBondContact O-N 3.47Å; S136-Q139 PolarHBondContact O-N 3.14Å; S136-A140 WeakPolarHBondContact O-CB 3.26Å; S136-A140 PolarHBondContact O-N 3.39Å
137A98.4Very high98.2Very high57 Ų5741.7 Ų41.747%0.47126%0.26SS..Hα-helixtrans-63-41.4176.200000112.2V133 L134 A140 F141V133-A137 WeakPolarHBondContact O-CB 3.33Å; V133-A137 PolarHBondContact O-N 3.49Å; L134-A137 PolarHBondContact O-N 2.98Å; A137-A140 PolarHBondContact O-N 3.25Å; A137-F141 WeakPolarHBondContact O-CB 3.41Å; A137-F141 PolarHBondContact O-N 2.99Å
138M98.7Very high98.1Very high8 Ų843.2 Ų43.24%0.03925%0.253CS..Hα-helixtrans-67-43.2177-71.8-66.9-63.700111.7I107 L108 K111 L134 D135 S136 A140 F141 L142 Y169 L173I107-M138 HydrophobicContact CD1-CE 4.48Å; I107-M138 HydrophobicContact CD1-SD 3.83Å; I107-M138 HydrophobicContact CG1-CE 4.06Å; I107-M138 HydrophobicContact CG1-SD 3.76Å; I107-M138 HydrophobicContact CG2-CE 4.02Å; L108-M138 HydrophobicContact CD2-CE 3.92Å; L108-M138 HydrophobicContact CG-CE 4.46Å; K111-M138 HydrophobicContact CB-CE 4.04Å; K111-M138 HydrophobicContact CB-SD 4.13Å; K111-M138 HydrophobicContact CG-CE 4.46Å; K111-M138 HydrophobicContact CG-CG 4.36Å; K111-M138 HydrophobicContact CG-SD 4.49Å; L134-M138 VanDerWaalsContact O-CB 3.3Å; L134-M138 WeakPolarHBondContact O-CB 3.39Å; L134-M138 WeakPolarHBondContact O-CG 3.34Å; L134-M138 PolarHBondContact O-N 3.49Å; D135-M138 PolarHBondContact O-N 3.06Å; S136-M138 PolarHBondContact O-N 3.47Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 3.12Å; M138-F141 PolarHBondContact O-N 3.37Å; M138-L142 HydrophobicContact CE-CD1 4.42Å; M138-L142 VanDerWaalsContact O-CB 3.28Å; M138-L142 WeakPolarHBondContact O-CB 3.45Å; M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 2.93Å; M138-Y169 HydrophobicContact CE-CE1 4.35Å; M138-L173 HydrophobicContact CB-CD1 3.87Å
139Q98.7Very high98.1Very high37 Ų3743.8 Ų43.817%0.17324%0.243CC..Hα-helixtrans-57.1-49.6174.5-75.8161.65.700110.9K67 D135 S136 L143 L173 F174K67-Q139 HydrophobicContact CB-CG 4.37Å; D135-Q139 WeakPolarHBondContact O-CB 3.26Å; D135-Q139 WeakPolarHBondContact O-CG 3.49Å; D135-Q139 PolarHBondContact O-N 3.41Å; S136-Q139 PolarHBondContact O-N 3.14Å; Q139-L143 VanDerWaalsContact O-CB 3.31Å; Q139-L143 WeakPolarHBondContact O-CB 3.32Å; Q139-L143 VanDerWaalsContact O-CG 3.27Å; Q139-L143 WeakPolarHBondContact O-CG 3.22Å; Q139-L143 PolarHBondContact O-N 2.61Å; Q139-L173 HydrophobicContact CG-CB 3.98Å; Q139-L173 HydrophobicContact CG-CD1 4.5Å; Q139-L173 HydrophobicContact CG-CD2 4.13Å; Q139-L173 HydrophobicContact CG-CG 4.43Å; Q139-L173 PolarHBondContact NE2-O 2.7Å; Q139-F174 HydrophobicContact CB-CE1 4.34Å; Q139-F174 HydrophobicContact CG-CE1 4.19Å; Q139-F174 HydrophobicContact CG-CZ 4.43Å
140A97.9Very high97.9Very high20 Ų2043 Ų4317%0.16524%0.244CC..Hα-helixtrans-57.5-53177.800000112.1S136 A137 M138 L142 L143 E144S136-A140 WeakPolarHBondContact O-CB 3.26Å; S136-A140 PolarHBondContact O-N 3.39Å; A137-A140 PolarHBondContact O-N 3.25Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 3.12Å; A140-L142 PolarHBondContact O-N 3.37Å; A140-L143 PolarHBondContact O-N 3.22Å; A140-E144 WeakPolarHBondContact O-CG 3.47Å; A140-E144 PolarHBondContact O-N 3.15Å
141F98.7Very high97.7Very high84 Ų8445.1 Ų45.137%0.36825%0.251SS..Hα-helixtrans-60.2-49.1-178.7-179-84.4000112I107 A137 M138 L143 E144 V145I107-F141 HydrophobicContact CB-CE1 4.2Å; I107-F141 HydrophobicContact CD1-CB 4.25Å; I107-F141 HydrophobicContact CD1-CD1 3.46Å; I107-F141 VanDerWaalsContact CD1-CD1 3.46Å; I107-F141 HydrophobicContact CD1-CD2 3.91Å; I107-F141 HydrophobicContact CD1-CE1 3.69Å; I107-F141 HydrophobicContact CD1-CE2 4.1Å; I107-F141 HydrophobicContact CD1-CG 3.59Å; I107-F141 HydrophobicContact CD1-CZ 4Å; I107-F141 HydrophobicContact CG2-CD1 3.89Å; I107-F141 HydrophobicContact CG2-CE1 3.71Å; A137-F141 WeakPolarHBondContact O-CB 3.41Å; A137-F141 PolarHBondContact O-N 2.99Å; M138-F141 PolarHBondContact O-N 3.37Å; F141-L143 PolarHBondContact O-N 2.87Å; F141-E144 PolarHBondContact O-N 2.83Å; F141-V145 HydrophobicContact CD1-CG2 4.32Å; F141-V145 HydrophobicContact CE1-CG2 3.9Å; F141-V145 HydrophobicContact CZ-CG2 4.2Å; F141-V145 WeakPolarHBondContact O-CG2 3.2Å; F141-V145 PolarHBondContact O-N 3.06Å; F141-V145 VanDerWaalsContact O-N 3.16Å
142L98.8Very high97.6Very high0 Ų045.2 Ų45.20%025%0.253CS..Hα-helixtrans-63.9-42.1-177.7-67174.7000111.1I104 I107 L108 M138 A140 V145 I146 L170 L173 F174I104-L142 HydrophobicContact CB-CD2 4.12Å; I104-L142 HydrophobicContact CD1-CD2 4.39Å; I104-L142 HydrophobicContact CG1-CD2 3.75Å; I104-L142 HydrophobicContact CG2-CD2 3.78Å; I107-L142 HydrophobicContact CG2-CD2 4.03Å; L108-L142 HydrophobicContact CD2-CD1 4.29Å; M138-L142 HydrophobicContact CE-CD1 4.42Å; M138-L142 VanDerWaalsContact O-CB 3.28Å; M138-L142 WeakPolarHBondContact O-CB 3.45Å; M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 2.93Å; A140-L142 PolarHBondContact O-N 3.37Å; L142-V145 PolarHBondContact O-N 3.41Å; L142-I146 WeakPolarHBondContact O-CB 3.16Å; L142-I146 WeakPolarHBondContact O-CD1 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 2.71Å; L142-L170 HydrophobicContact CD1-CD2 3.86Å; L142-L173 HydrophobicContact CD1-CD1 4.03Å; L142-F174 HydrophobicContact CB-CE2 4.22Å; L142-F174 HydrophobicContact CB-CZ 3.96Å; L142-F174 HydrophobicContact CD1-CE2 3.85Å; L142-F174 HydrophobicContact CD1-CZ 4.24Å
143L98.5Very high97.5Very high6 Ų639.5 Ų39.53%0.03123%0.225CC..Hα-helixtrans-65.1-42.8177.7-75.8172000112.5Y65 M69 L71 Q139 A140 F141 V145 I146 V147 F174Y65-L143 HydrophobicContact CD2-CB 3.99Å; Y65-L143 HydrophobicContact CD2-CD1 4.39Å; Y65-L143 HydrophobicContact CE2-CB 3.97Å; M69-L143 HydrophobicContact SD-CD2 4.03Å; L71-L143 HydrophobicContact CD1-CD2 4.04Å; Q139-L143 VanDerWaalsContact O-CB 3.31Å; Q139-L143 WeakPolarHBondContact O-CB 3.32Å; Q139-L143 VanDerWaalsContact O-CG 3.27Å; Q139-L143 WeakPolarHBondContact O-CG 3.22Å; Q139-L143 PolarHBondContact O-N 2.61Å; A140-L143 PolarHBondContact O-N 3.22Å; F141-L143 PolarHBondContact O-N 2.87Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.09Å; L143-I146 PolarHBondContact O-N 3.46Å; L143-V147 VanDerWaalsContact O-CB 3.22Å; L143-V147 WeakPolarHBondContact O-CB 3.37Å; L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.16Å; L143-F174 HydrophobicContact CD1-CE1 4.05Å; L143-F174 HydrophobicContact CD2-CE1 3.93Å; L143-F174 HydrophobicContact CD2-CZ 4.46Å; L143-F174 HydrophobicContact CG-CE1 3.74Å; L143-F174 HydrophobicContact CG-CZ 4.14Å
144E97.8Very high97.4Very high66 Ų6639.6 Ų39.631%0.30823%0.227SC..Hα-helixtrans-57.2-47.1175.8-73.1-64.5162.500110.8R52 Y65 A140 F141 K148R52-E144 IonicContact CZ-OE1 2.74Å; R52-E144 IonicContact NH1-OE1 3.65Å; R52-E144 PolarHBondContact NH1-OE1 3.44Å; Y65-E144 PolarHBondContact OH-OE1 2.99Å; Y65-E144 PolarHBondContact OH-OE2 3.09Å; A140-E144 WeakPolarHBondContact O-CG 3.47Å; A140-E144 PolarHBondContact O-N 3.15Å; F141-E144 PolarHBondContact O-N 2.83Å; E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 WeakPolarHBondContact O-CG 3.18Å; E144-K148 PolarHBondContact O-N 3.45Å
145V98.4Very high97.4Very high28 Ų2841.8 Ų41.817%0.1723%0.234CC..Hα-helixtrans-60.9-58.7177.4177.10000110T101 V103 I104 F141 L142 L143 V147 K148 H149T101-V145 HydrophobicContact CG2-CG1 3.74Å; V103-V145 HydrophobicContact CG2-CG1 3.88Å; V103-V145 HydrophobicContact CG2-CG2 3.99Å; I104-V145 HydrophobicContact CD1-CB 4.47Å; I104-V145 HydrophobicContact CD1-CG1 4.03Å; I104-V145 HydrophobicContact CG1-CB 4.48Å; I104-V145 HydrophobicContact CG1-CG1 4.1Å; F141-V145 HydrophobicContact CD1-CG2 4.32Å; F141-V145 HydrophobicContact CE1-CG2 3.9Å; F141-V145 HydrophobicContact CZ-CG2 4.2Å; F141-V145 WeakPolarHBondContact O-CG2 3.2Å; F141-V145 PolarHBondContact O-N 3.06Å; F141-V145 VanDerWaalsContact O-N 3.16Å; L142-V145 PolarHBondContact O-N 3.41Å; L143-V145 VanDerWaalsContact C-N 3.3Å; L143-V145 PolarHBondContact O-N 3.09Å; V145-V147 VanDerWaalsContact C-N 3.31Å; V145-V147 PolarHBondContact O-N 2.66Å; V145-K148 PolarHBondContact O-N 2.92Å; V145-H149 VanDerWaalsContact O-CB 3.3Å; V145-H149 WeakPolarHBondContact O-CB 3.47Å; V145-H149 PolarHBondContact O-CD2 3.43Å; V145-H149 PolarHBondContact O-N 3.19Å
146I98.4Very high97.4Very high1 Ų141.4 Ų41.41%0.00523%0.232CC..Hα-helixtrans-55-46.5-174.9-67.7168.4000111.2L71 F73 R96 I104 L142 L143 H149 L156 N158L71-I146 HydrophobicContact CD1-CD1 4.34Å; L71-I146 HydrophobicContact CD2-CG2 4.22Å; F73-I146 HydrophobicContact CE1-CD1 3.85Å; F73-I146 HydrophobicContact CZ-CD1 3.81Å; R96-I146 VanDerWaalsContact CZ-O 3.25Å; R96-I146 PolarHBondContact NH1-O 3.42Å; R96-I146 PolarHBondContact NH2-O 3.02Å; I104-I146 HydrophobicContact CD1-CD1 4.22Å; I104-I146 HydrophobicContact CD1-CG1 3.7Å; L142-I146 WeakPolarHBondContact O-CB 3.16Å; L142-I146 WeakPolarHBondContact O-CD1 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 2.71Å; L143-I146 PolarHBondContact O-N 3.46Å; I146-H149 PolarHBondContact O-CD2 3.15Å; I146-L156 HydrophobicContact CG2-CB 4.15Å; I146-L156 HydrophobicContact CG2-CD1 4.37Å; I146-N158 HydrophobicContact CD1-CB 4.27Å; I146-N158 HydrophobicContact CG1-CB 4.1Å
147V97.1Very high97.4Very high11 Ų1138.3 Ų38.37%0.06721%0.211CC..Hα-helixtrans-73.8-42.5-175.5176.20000111.5F63 Y65 R96 L143 V145 L156F63-V147 HydrophobicContact CD1-CG1 4.41Å; Y65-V147 HydrophobicContact CD1-CB 4.43Å; Y65-V147 HydrophobicContact CD1-CG1 3.78Å; Y65-V147 HydrophobicContact CD1-CG2 4.13Å; Y65-V147 HydrophobicContact CD2-CB 4.47Å; Y65-V147 HydrophobicContact CD2-CG2 3.65Å; Y65-V147 HydrophobicContact CE1-CG1 3.92Å; Y65-V147 HydrophobicContact CE2-CG2 4.1Å; Y65-V147 HydrophobicContact CG-CB 4.4Å; Y65-V147 HydrophobicContact CG-CG1 4.17Å; Y65-V147 HydrophobicContact CG-CG2 3.64Å; R96-V147 PolarHBondContact NH2-O 3.33Å; L143-V147 VanDerWaalsContact O-CB 3.22Å; L143-V147 WeakPolarHBondContact O-CB 3.37Å; L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.16Å; V145-V147 VanDerWaalsContact C-N 3.31Å; V145-V147 PolarHBondContact O-N 2.66Å; V147-L156 HydrophobicContact CB-CD1 4.19Å; V147-L156 HydrophobicContact CG1-CD1 4.48Å; V147-L156 HydrophobicContact CG2-CD1 3.52Å
148K96.6Very high97.4Very high104 Ų10435.7 Ų35.745%0.45219%0.188SC..Hα-helixtrans-94.5-14.5-166.9-54-70.8-176.1147.30114.6G54 E144 V145 G150G54-K148 VanDerWaalsContact CA-NZ 3.3Å; E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 WeakPolarHBondContact O-CG 3.18Å; E144-K148 PolarHBondContact O-N 3.45Å; V145-K148 PolarHBondContact O-N 2.92Å; K148-G150 PolarHBondContact O-N 3.17Å
149H97.1Very high97.4Very high57 Ų5735.3 Ų35.326%0.26419%0.187SC..SBendtrans-75.3-6.1-178.184.177.3000114.4R96 C97 V145 I146R96-H149 PolarHBondContact NH1-CE1 3.46Å; R96-H149 VanDerWaalsContact NH1-CE1 3.32Å; R96-H149 PolarHBondContact NH1-NE2 2.94Å; R96-H149 VanDerWaalsContact NH1-NE2 3.1Å; C97-H149 PolarHBondContact O-CE1 3.3Å; C97-H149 VanDerWaalsContact O-CE1 3.27Å; V145-H149 VanDerWaalsContact O-CB 3.3Å; V145-H149 WeakPolarHBondContact O-CB 3.47Å; V145-H149 PolarHBondContact O-CD2 3.43Å; V145-H149 PolarHBondContact O-N 3.19Å; I146-H149 PolarHBondContact O-CD2 3.15Å
150G95.1Very high97.5Very high29 Ų2933.7 Ų33.730%0.29918%0.179SC..SBendtrans-158.8-178.3-178.600000111.7R96 K148R96-G150 PolarHBondContact NH2-O 3.16Å; K148-G150 PolarHBondContact O-N 3.17Å
151E93.4Very high97.5Very high97 Ų9733.2 Ų33.245%0.45317%0.174SC..  trans-61.6150-178.3-59-69.5151.500111.8K58 R96K58-E151 IonicContact NZ-OE1 2.59Å; K58-E151 PolarHBondContact NZ-OE1 3.25Å; K58-E151 IonicContact NZ-OE2 3.79Å; K58-E151 PolarHBondContact NZ-OE2 2.92Å; R96-E151 PolarHBondContact NE-O 3.34Å; R96-E151 PolarHBondContact NH2-O 3.36Å
152P94.5Very high97.5Very high49 Ų4931.8 Ų31.832%0.31817%0.168SC..  trans-68.1149.8174.929.2-34000111.4D56D56-P152 HydrophobicContact CB-CG 4.11Å; D56-P152 WeakPolarHBondContact OD2-CG 3.45Å
153A95.9Very high97.5Very high10 Ų1031.8 Ų31.88%0.08317%0.168CC..  trans-152.9156.4173.400000110.7R96 Y155 L156R96-A153 HydrophobicContact CB-CB 3.53Å; A153-Y155 VanDerWaalsContact C-N 3.27Å; A153-Y155 PolarHBondContact O-N 3.49Å; A153-L156 HydrophobicContact CB-CD2 4.36Å
154P96.1Very high97.5Very high78 Ų7831.5 Ų31.551%0.50617%0.167SC..SBendtrans-53.5-40.8174.2-27.434000114D94D94-P154 HydrophobicContact CB-CB 4.17Å; D94-P154 HydrophobicContact CB-CG 3.96Å; D94-P154 WeakPolarHBondContact O-CD 3.15Å
155Y98.2Very high97.5Very high62 Ų6232.1 Ų32.124%0.24317%0.168CC..EExtended strand (participates in β ladder)trans-117.6112.8177.6-57.2-77.1000110.2P70 D94 I95 R96 A153 I259P70-Y155 HydrophobicContact CG-CD1 4.22Å; P70-Y155 HydrophobicContact CG-CE1 4.43Å; D94-Y155 HydrophobicContact CB-CD2 3.88Å; D94-Y155 HydrophobicContact CB-CE2 4.12Å; D94-Y155 WeakPolarHBondContact O-CD2 3.26Å; D94-Y155 PolarHBondContact O-N 3.42Å; I95-Y155 WeakPolarHBondContact CA-O 3.39Å; I95-Y155 HydrophobicContact CG1-CD2 4.33Å; R96-Y155 PolarHBondContact N-O 3.3Å; A153-Y155 VanDerWaalsContact C-N 3.27Å; A153-Y155 PolarHBondContact O-N 3.49Å; Y155-I259 HydrophobicContact CD1-CD1 3.91Å; Y155-I259 HydrophobicContact CD1-CG1 4.08Å; Y155-I259 HydrophobicContact CD2-CD1 3.85Å; Y155-I259 HydrophobicContact CD2-CG1 4.06Å; Y155-I259 HydrophobicContact CD2-CG2 4.19Å; Y155-I259 HydrophobicContact CE1-CD1 4.33Å; Y155-I259 HydrophobicContact CE1-CG1 3.98Å; Y155-I259 HydrophobicContact CE2-CD1 4.29Å; Y155-I259 HydrophobicContact CE2-CG1 3.97Å; Y155-I259 HydrophobicContact CE2-CG2 3.98Å; Y155-I259 HydrophobicContact CG-CD1 3.65Å; Y155-I259 HydrophobicContact CG-CG1 4.12Å
156L98.6Very high97.5Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-89140.9176.9-64.8-175.8000111.2F63 M69 L71 I72 I146 V147 A153F63-L156 HydrophobicContact CE1-CD1 4.26Å; M69-L156 HydrophobicContact CE-CB 4.29Å; M69-L156 HydrophobicContact CE-CD1 3.66Å; M69-L156 HydrophobicContact CE-CG 3.97Å; M69-L156 HydrophobicContact SD-CD1 4.46Å; L71-L156 WeakPolarHBondContact CA-O 3.48Å; L71-L156 HydrophobicContact CD2-CB 3.84Å; I72-L156 PolarHBondContact N-O 2.93Å; I146-L156 HydrophobicContact CG2-CB 4.15Å; I146-L156 HydrophobicContact CG2-CD1 4.37Å; V147-L156 HydrophobicContact CB-CD1 4.19Å; V147-L156 HydrophobicContact CG1-CD1 4.48Å; V147-L156 HydrophobicContact CG2-CD1 3.52Å; A153-L156 HydrophobicContact CB-CD2 4.36Å
157C98.9Very high97.6Very high1 Ų131.1 Ų31.11%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-132150.3-176.6164.20000109.9I72 I95 R96 C97I72-C157 HydrophobicContact CB-CB 3.9Å; I72-C157 HydrophobicContact CD1-CB 4.37Å; I72-C157 HydrophobicContact CG2-CB 4.5Å; I72-C157 CarbonylContact O-C 3.59Å; I72-C157 WeakPolarHBondContact O-CA 3.22Å; I95-C157 HydrophobicContact CG2-CB 4.2Å; R96-C157 WeakPolarHBondContact O-CB 3.43Å; R96-C157 PolarHBondContact O-N 3.09Å; C97-C157 WeakPolarHBondContact CA-O 3.41Å; C97-C157 HydrophobicContact CB-CB 3.67Å; C97-C157 WeakPolarHBondContact CB-SG 3.32Å; C97-C157 WeakPolarHBondContact SG-CB 3.03Å; C97-C157 CovalentContact SG-SG 2.03Å; C97-C157 PolarHBondContact SG-SG 3.29Å
158N98.9Very high97.6Very high1 Ų132.5 Ų32.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-131.4135170173.1-109.4000109.9I72 F73 I74 T101 I146 D160I72-N158 PolarHBondContact O-N 3.47Å; F73-N158 WeakPolarHBondContact CA-O 3.43Å; F73-N158 HydrophobicContact CD1-CB 4.05Å; F73-N158 HydrophobicContact CE1-CB 4.13Å; I74-N158 PolarHBondContact N-O 2.76Å; T101-N158 WeakPolarHBondContact CG2-ND2 3.45Å; I146-N158 HydrophobicContact CD1-CB 4.27Å; I146-N158 HydrophobicContact CG1-CB 4.1Å; N158-D160 PolarHBondContact ND2-OD2 3.43Å
159K98.8Very high97.7Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-122100.8172.2-174-82.8-49.6-1580109.4I74 T83 R86 E100 E284I74-K159 HydrophobicContact CB-CB 4.06Å; I74-K159 HydrophobicContact CB-CG 3.94Å; I74-K159 HydrophobicContact CG2-CG 3.95Å; I74-K159 WeakPolarHBondContact O-CA 3.18Å; T83-K159 PolarHBondContact OG1-NZ 3.13Å; R86-K159 HydrophobicContact CB-CB 3.82Å; R86-K159 HydrophobicContact CB-CG 4.02Å; R86-K159 HydrophobicContact CG-CB 3.95Å; R86-K159 HydrophobicContact CG-CD 4.48Å; R86-K159 HydrophobicContact CG-CG 3.97Å; E100-K159 VanDerWaalsContact CD-NZ 3.28Å; E100-K159 HydrophobicContact CG-CD 4.22Å; E100-K159 VanDerWaalsContact CG-CE 3.45Å; E100-K159 IonicContact OE1-NZ 2.78Å; E100-K159 PolarHBondContact OE1-NZ 3.47Å; K159-E284 IonicContact NZ-OE2 3.74Å; K159-E284 PolarHBondContact NZ-OE2 2.94Å
160D98.8Very high97.8Very high3 Ų326.6 Ų26.62%0.01614%0.144CC..  trans-131112.6166.3-85-81000107.2T101 R102 P105 N158 F162 A163T101-D160 WeakPolarHBondContact CB-OD2 3.32Å; T101-D160 PolarHBondContact N-OD1 2.95Å; T101-D160 PolarHBondContact N-OD2 2.85Å; T101-D160 VanDerWaalsContact N-OD2 3.12Å; T101-D160 PolarHBondContact OG1-OD2 3.38Å; R102-D160 PolarHBondContact N-OD1 3.36Å; P105-D160 HydrophobicContact CG-CB 4.03Å; N158-D160 PolarHBondContact ND2-OD2 3.43Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.89Å; D160-A163 HydrophobicContact CB-CB 4.03Å; D160-A163 VanDerWaalsContact O-CB 3.26Å; D160-A163 WeakPolarHBondContact O-CB 3.5Å; D160-A163 PolarHBondContact O-N 3.03Å
161P98.6Very high98Very high10 Ų1025.9 Ų25.97%0.06514%0.135CC..G310 helixtrans-49.3-46.6-164.9-3135.2000114.5G75 G76 P78G75-P161 WeakPolarHBondContact CA-O 3.19Å; G76-P161 PolarHBondContact N-O 2.79Å; G76-P161 CarbonylContact O-C 3.52Å; G76-P161 VanDerWaalsContact O-C 3.31Å; G76-P161 WeakPolarHBondContact O-CA 3.05Å; G76-P161 WeakPolarHBondContact O-CB 3.35Å; P78-P161 HydrophobicContact CG-CB 3.79Å; P78-P161 HydrophobicContact CG-CG 4.2Å
162F98.5Very high98.3Very high54 Ų5427.4 Ų27.424%0.23714%0.136CC..G310 helixtrans-90.94.6-178.2-66.1-45.7000115.3P78 D160 L164 K165 I200 A218 M222P78-F162 HydrophobicContact CG-CD2 4.49Å; P78-F162 HydrophobicContact CG-CE1 4.44Å; P78-F162 HydrophobicContact CG-CE2 3.86Å; P78-F162 HydrophobicContact CG-CZ 3.84Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.89Å; F162-L164 PolarHBondContact O-N 3.38Å; F162-K165 HydrophobicContact CB-CD 4.13Å; F162-K165 HydrophobicContact CB-CG 4.3Å; F162-K165 HydrophobicContact CD1-CD 3.91Å; F162-K165 HydrophobicContact CD1-CG 4.15Å; F162-K165 HydrophobicContact CG-CD 4.18Å; F162-K165 WeakPolarHBondContact O-CB 3.1Å; F162-K165 PolarHBondContact O-N 2.99Å; F162-I200 HydrophobicContact CE2-CG2 3.6Å; F162-I200 HydrophobicContact CZ-CG2 3.97Å; F162-A218 HydrophobicContact CE1-CB 4.22Å; F162-M222 HydrophobicContact CD1-CE 4.39Å; F162-M222 HydrophobicContact CD1-SD 4.48Å; F162-M222 HydrophobicContact CE1-CE 4.41Å
163A98.8Very high98.5Very high0 Ų025.1 Ų25.10%012%0.121CC..G310 helixtrans-57.9-32.8167.500000110.7I104 L108 D160 K165 S166 L170I104-A163 HydrophobicContact CG2-CB 4.2Å; L108-A163 HydrophobicContact CD1-CB 4.04Å; D160-A163 HydrophobicContact CB-CB 4.03Å; D160-A163 VanDerWaalsContact O-CB 3.26Å; D160-A163 WeakPolarHBondContact O-CB 3.5Å; D160-A163 PolarHBondContact O-N 3.03Å; A163-K165 PolarHBondContact O-N 3.2Å; A163-S166 PolarHBondContact O-N 3.45Å; A163-L170 HydrophobicContact CB-CD1 4.3Å
164L98.7Very high98.6Very high0 Ų024.6 Ų24.60%012%0.117CC..G310 helixtrans-71.7-3.8177.1-85.461.8000114.2F73 F162 S166 L167 L181 M222F73-L164 HydrophobicContact CB-CD1 4.16Å; F162-L164 PolarHBondContact O-N 3.38Å; L164-S166 PolarHBondContact O-N 2.89Å; L164-L167 HydrophobicContact CB-CB 4.41Å; L164-L167 HydrophobicContact CB-CD1 4.45Å; L164-L167 HydrophobicContact CD2-CD1 4.21Å; L164-L167 HydrophobicContact CG-CB 4.45Å; L164-L167 HydrophobicContact CG-CD1 4.06Å; L164-L167 HydrophobicContact CG-CG 4.45Å; L164-L167 VanDerWaalsContact O-CB 3.3Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.37Å; L164-L181 HydrophobicContact CD2-CB 4.1Å; L164-L181 HydrophobicContact CD2-CD1 3.9Å; L164-M222 HydrophobicContact CB-CG 4.25Å; L164-M222 HydrophobicContact CB-SD 4Å
165K98.5Very high98.7Very high80 Ų8023.5 Ų23.535%0.34811%0.11SC..G310 helixtrans-69.9-12.4163.1-67.7-174.667.1178.10112.6F162 A163 M222 Q225F162-K165 HydrophobicContact CB-CD 4.13Å; F162-K165 HydrophobicContact CB-CG 4.3Å; F162-K165 HydrophobicContact CD1-CD 3.91Å; F162-K165 HydrophobicContact CD1-CG 4.15Å; F162-K165 HydrophobicContact CG-CD 4.18Å; F162-K165 WeakPolarHBondContact O-CB 3.1Å; F162-K165 PolarHBondContact O-N 2.99Å; A163-K165 PolarHBondContact O-N 3.2Å; K165-M222 HydrophobicContact CG-CG 4.09Å; K165-M222 HydrophobicContact CG-SD 4.33Å; K165-Q225 PolarHBondContact O-NE2 3.4Å; K165-Q225 PolarHBondContact O-OE1 3.06Å
166S98.8Very high98.7Very high8 Ų825 Ų256%0.05612%0.122CC..G310 helixtrans-121.229.5174.2-59.60000110.9A163 L164 T168 Y169 L170A163-S166 PolarHBondContact O-N 3.45Å; L164-S166 PolarHBondContact O-N 2.89Å; S166-T168 PolarHBondContact O-N 2.87Å; S166-Y169 WeakPolarHBondContact O-CB 3.38Å; S166-Y169 PolarHBondContact O-N 3Å; S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3.43Å
167L98.8Very high98.7Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-55.1-49.3-177.7-175.1167000112.2L164 Y169 L170 S171 F179 Q225 C226 V229L164-L167 HydrophobicContact CB-CB 4.41Å; L164-L167 HydrophobicContact CB-CD1 4.45Å; L164-L167 HydrophobicContact CD2-CD1 4.21Å; L164-L167 HydrophobicContact CG-CB 4.45Å; L164-L167 HydrophobicContact CG-CD1 4.06Å; L164-L167 HydrophobicContact CG-CG 4.45Å; L164-L167 VanDerWaalsContact O-CB 3.3Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.37Å; L167-Y169 VanDerWaalsContact C-N 3.28Å; L167-Y169 PolarHBondContact O-N 3.06Å; L167-L170 PolarHBondContact O-N 3.44Å; L167-S171 PolarHBondContact O-N 2.86Å; L167-F179 HydrophobicContact CD1-CB 4.09Å; L167-F179 HydrophobicContact CD1-CD1 4.37Å; L167-F179 HydrophobicContact CD1-CG 4.23Å; L167-F179 HydrophobicContact CD2-CD1 4.36Å; L167-F179 HydrophobicContact CD2-CD2 4.1Å; L167-F179 HydrophobicContact CD2-CE2 4.44Å; L167-F179 HydrophobicContact CD2-CG 4.09Å; L167-F179 HydrophobicContact CG-CB 4.21Å; L167-F179 HydrophobicContact CG-CD1 3.71Å; L167-F179 HydrophobicContact CG-CD2 4.31Å; L167-F179 HydrophobicContact CG-CE1 4.19Å; L167-F179 HydrophobicContact CG-CG 3.8Å; L167-Q225 HydrophobicContact CB-CB 3.96Å; L167-Q225 HydrophobicContact CD2-CB 4.37Å; L167-C226 HydrophobicContact CD1-CB 3.93Å; L167-V229 HydrophobicContact CD2-CB 4.17Å; L167-V229 HydrophobicContact CD2-CG1 3.55Å; L167-V229 HydrophobicContact CD2-CG2 3.51Å
168T98.8Very high98.7Very high40 Ų4026.8 Ų26.825%0.24513%0.13CC..Hα-helixtrans-61.2-40.2179.5-52.10000111.2S166 S171 R172 Q225 E228S166-T168 PolarHBondContact O-N 2.87Å; T168-S171 PolarHBondContact O-N 2.84Å; T168-R172 PolarHBondContact O-N 3.47Å; T168-R172 VanDerWaalsContact O-N 3.15Å; T168-Q225 WeakPolarHBondContact OG1-CB 2.92Å; T168-Q225 WeakPolarHBondContact OG1-CG 3.46Å; T168-E228 HydrophobicContact CG2-CG 4.47Å; T168-E228 WeakPolarHBondContact CG2-OE2 3.39Å; T168-E228 PolarHBondContact OG1-OE2 2.66Å
169Y98.9Very high98.7Very high37 Ų3726.8 Ų26.815%0.14513%0.13CC..Hα-helixtrans-66-45.2176.3-179.6-107000112.1L108 K111 D135 M138 S166 L167 S171 R172 L173L108-Y169 HydrophobicContact CD2-CD1 3.92Å; L108-Y169 HydrophobicContact CD2-CE1 4.08Å; K111-Y169 VanDerWaalsContact CE-OH 3.31Å; K111-Y169 WeakPolarHBondContact CE-OH 3.39Å; K111-Y169 HydrophobicContact CG-CE1 4.14Å; K111-Y169 WeakPolarHBondContact CG-OH 3.5Å; D135-Y169 VanDerWaalsContact OD1-CE2 3.25Å; D135-Y169 WeakPolarHBondContact OD1-CE2 3.37Å; D135-Y169 PolarHBondContact OD1-OH 3.18Å; M138-Y169 HydrophobicContact CE-CE1 4.35Å; S166-Y169 WeakPolarHBondContact O-CB 3.38Å; S166-Y169 PolarHBondContact O-N 3Å; L167-Y169 VanDerWaalsContact C-N 3.28Å; L167-Y169 PolarHBondContact O-N 3.06Å; Y169-S171 VanDerWaalsContact C-N 3.3Å; Y169-S171 PolarHBondContact O-N 3.48Å; Y169-R172 WeakPolarHBondContact O-CB 3.36Å; Y169-R172 PolarHBondContact O-N 3.02Å; Y169-R172 VanDerWaalsContact O-N 3.08Å; Y169-L173 HydrophobicContact CD1-CD1 4.04Å; Y169-L173 HydrophobicContact CD1-CG 4.33Å; Y169-L173 HydrophobicContact CE1-CD1 3.44Å; Y169-L173 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L173 HydrophobicContact CE1-CD2 4.43Å; Y169-L173 HydrophobicContact CE1-CG 3.98Å; Y169-L173 HydrophobicContact CE2-CD2 4.31Å; Y169-L173 HydrophobicContact CE2-CG 4.49Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.25Å
170L98.9Very high98.7Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-60.5-39.3174.6-74.2169.7000111.8F73 L108 L142 A163 S166 L167 R172 L173 F174 F179F73-L170 HydrophobicContact CD1-CD1 4.12Å; F73-L170 HydrophobicContact CE1-CD1 4.29Å; F73-L170 HydrophobicContact CE1-CD2 4.18Å; F73-L170 HydrophobicContact CG-CD1 4.47Å; F73-L170 HydrophobicContact CZ-CD2 4.19Å; L108-L170 HydrophobicContact CD1-CD1 4.12Å; L108-L170 HydrophobicContact CD1-CD2 4.25Å; L108-L170 HydrophobicContact CD1-CG 4.37Å; L108-L170 HydrophobicContact CD2-CD2 4.03Å; L108-L170 HydrophobicContact CD2-CG 4.35Å; L142-L170 HydrophobicContact CD1-CD2 3.86Å; A163-L170 HydrophobicContact CB-CD1 4.3Å; S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3.43Å; L167-L170 PolarHBondContact O-N 3.44Å; L170-R172 PolarHBondContact O-N 3.04Å; L170-L173 PolarHBondContact O-N 3.04Å; L170-F174 HydrophobicContact CD2-CD2 4.32Å; L170-F174 HydrophobicContact CD2-CE2 4.19Å; L170-F174 PolarHBondContact O-N 2.8Å; L170-F179 HydrophobicContact CB-CE1 3.69Å; L170-F179 HydrophobicContact CB-CZ 3.8Å; L170-F179 HydrophobicContact CD1-CE1 4.23Å
171S98.8Very high98.7Very high14 Ų1426.6 Ų26.610%0.09813%0.129CC..Hα-helixtrans-65-27.6176.1-179.10000112.7L167 T168 Y169 K233L167-S171 PolarHBondContact O-N 2.86Å; T168-S171 PolarHBondContact O-N 2.84Å; Y169-S171 VanDerWaalsContact C-N 3.3Å; Y169-S171 PolarHBondContact O-N 3.48Å; S171-K233 WeakPolarHBondContact OG-CD 3.36Å; S171-K233 PolarHBondContact OG-NZ 3.14Å
172R98.6Very high98.8Very high128 Ų12826.1 Ų26.148%0.48313%0.126SC..Hα-helixtrans-77.9-41.2175-170.5175.769.579.5-4.5111.5D135 T168 Y169 L170D135-R172 IonicContact OD1-CZ 3.28Å; D135-R172 IonicContact OD1-NH1 2.79Å; D135-R172 IonicContact OD1-NH2 2.93Å; D135-R172 PolarHBondContact OD1-NH2 2.77Å; D135-R172 IonicContact OD2-CZ 3.31Å; D135-R172 IonicContact OD2-NH1 3.22Å; D135-R172 PolarHBondContact OD2-NH1 2.71Å; D135-R172 IonicContact OD2-NH2 2.75Å; D135-R172 PolarHBondContact OD2-NH2 3.06Å; T168-R172 PolarHBondContact O-N 3.47Å; T168-R172 VanDerWaalsContact O-N 3.15Å; Y169-R172 WeakPolarHBondContact O-CB 3.36Å; Y169-R172 PolarHBondContact O-N 3.02Å; Y169-R172 VanDerWaalsContact O-N 3.08Å; L170-R172 PolarHBondContact O-N 3.04Å
173L98.6Very high98.8Very high1 Ų123.6 Ų23.61%0.00512%0.115CC..Hα-helixtrans-67.2-38.1176.7-66.2-169.5000112.8D135 M138 Q139 L142 Y169 L170D135-L173 HydrophobicContact CB-CD2 3.57Å; D135-L173 WeakPolarHBondContact OD1-CD2 3.29Å; M138-L173 HydrophobicContact CB-CD1 3.87Å; Q139-L173 HydrophobicContact CG-CB 3.98Å; Q139-L173 HydrophobicContact CG-CD1 4.5Å; Q139-L173 HydrophobicContact CG-CD2 4.13Å; Q139-L173 HydrophobicContact CG-CG 4.43Å; Q139-L173 PolarHBondContact NE2-O 2.7Å; L142-L173 HydrophobicContact CD1-CD1 4.03Å; Y169-L173 HydrophobicContact CD1-CD1 4.04Å; Y169-L173 HydrophobicContact CD1-CG 4.33Å; Y169-L173 HydrophobicContact CE1-CD1 3.44Å; Y169-L173 VanDerWaalsContact CE1-CD1 3.44Å; Y169-L173 HydrophobicContact CE1-CD2 4.43Å; Y169-L173 HydrophobicContact CE1-CG 3.98Å; Y169-L173 HydrophobicContact CE2-CD2 4.31Å; Y169-L173 HydrophobicContact CE2-CG 4.49Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.25Å; L170-L173 PolarHBondContact O-N 3.04Å
174F98.8Very high98.8Very high0 Ų024.4 Ų24.40%012%0.118CC..  trans-124.187.2-175.6-56.5-64.6000109.9K67 L71 F73 Q139 L142 L143 L170 N176 A177K67-F174 HydrophobicContact CB-CD1 4.27Å; K67-F174 HydrophobicContact CB-CE1 4.41Å; K67-F174 WeakPolarHBondContact O-CD1 3.49Å; L71-F174 HydrophobicContact CD1-CB 4.32Å; L71-F174 HydrophobicContact CD1-CD1 3.82Å; L71-F174 HydrophobicContact CD1-CD2 4.11Å; L71-F174 HydrophobicContact CD1-CE1 4.13Å; L71-F174 HydrophobicContact CD1-CE2 4.38Å; L71-F174 HydrophobicContact CD1-CG 3.82Å; L71-F174 HydrophobicContact CD1-CZ 4.39Å; F73-F174 HydrophobicContact CE2-CD2 4.03Å; F73-F174 AromaticContact CZ-CD2 3.91Å; F73-F174 HydrophobicContact CZ-CD2 3.91Å; F73-F174 HydrophobicContact CZ-CE2 4.09Å; Q139-F174 HydrophobicContact CB-CE1 4.34Å; Q139-F174 HydrophobicContact CG-CE1 4.19Å; Q139-F174 HydrophobicContact CG-CZ 4.43Å; L142-F174 HydrophobicContact CB-CE2 4.22Å; L142-F174 HydrophobicContact CB-CZ 3.96Å; L142-F174 HydrophobicContact CD1-CE2 3.85Å; L142-F174 HydrophobicContact CD1-CZ 4.24Å; L143-F174 HydrophobicContact CD1-CE1 4.05Å; L143-F174 HydrophobicContact CD2-CE1 3.93Å; L143-F174 HydrophobicContact CD2-CZ 4.46Å; L143-F174 HydrophobicContact CG-CE1 3.74Å; L143-F174 HydrophobicContact CG-CZ 4.14Å; L170-F174 HydrophobicContact CD2-CD2 4.32Å; L170-F174 HydrophobicContact CD2-CE2 4.19Å; L170-F174 PolarHBondContact O-N 2.8Å; F174-N176 PolarHBondContact O-N 3.36Å; F174-N176 VanDerWaalsContact O-N 3.14Å; F174-A177 HydrophobicContact CB-CB 3.68Å; F174-A177 VanDerWaalsContact O-CB 3.24Å; F174-A177 WeakPolarHBondContact O-CB 3.49Å; F174-A177 PolarHBondContact O-N 2.75Å
175P98.4Very high98.8Very high54 Ų5424.4 Ų24.435%0.35112%0.118SC..THydrogen-bonded Turntrans-61.9-26.6-170.4-26.435.9000114.5K233P175-K233 PolarHBondContact O-NZ 2.88Å
176N98.6Very high98.8Very high95 Ų9520.6 Ų20.651%0.50810%0.101SC..THydrogen-bonded Turntrans-96.33.7178.3-68.4-26.2000113.4D68 F174D68-N176 WeakPolarHBondContact O-CB 3.44Å; D68-N176 PolarHBondContact O-ND2 3.17Å; F174-N176 PolarHBondContact O-N 3.36Å; F174-N176 VanDerWaalsContact O-N 3.14Å
177A98.9Very high98.8Very high1 Ų120.2 Ų20.21%0.00810%0.099CC..  trans-69.5147.6175.900000112.3L71 F73 F174 F179L71-A177 HydrophobicContact CB-CB 4.08Å; L71-A177 CarbonylContact O-C 3.58Å; L71-A177 WeakPolarHBondContact O-CA 3.31Å; F73-A177 HydrophobicContact CD2-CB 3.99Å; F73-A177 HydrophobicContact CE2-CB 3.89Å; F174-A177 HydrophobicContact CB-CB 3.68Å; F174-A177 VanDerWaalsContact O-CB 3.24Å; F174-A177 WeakPolarHBondContact O-CB 3.49Å; F174-A177 PolarHBondContact O-N 2.75Å; A177-F179 HydrophobicContact CB-CE2 4.22Å; A177-F179 HydrophobicContact CB-CZ 4.08Å
178K98.9Very high98.8Very high37 Ų3720.4 Ų20.416%0.16110%0.1CC..EExtended strand (participates in β ladder)trans-121.7151.8171.4-66.6-171.5-175-47.60110.8L71 I72 F73 K232 K233 F256 L257L71-K178 PolarHBondContact O-N 3.25Å; I72-K178 WeakPolarHBondContact CA-O 3.35Å; F73-K178 PolarHBondContact N-O 3.45Å; K178-K232 PolarHBondContact NZ-O 3.08Å; K178-K233 CarbonylContact C-O 3.59Å; K178-K233 VanDerWaalsContact CA-O 3.32Å; K178-K233 WeakPolarHBondContact CA-O 3.34Å; K178-F256 HydrophobicContact CB-CE1 4Å; K178-F256 HydrophobicContact CB-CZ 4.11Å; K178-F256 HydrophobicContact CD-CD1 4.45Å; K178-F256 HydrophobicContact CD-CE1 4.05Å; K178-F256 HydrophobicContact CD-CE2 4.5Å; K178-F256 HydrophobicContact CD-CZ 4.08Å; K178-F256 WeakPolarHBondContact CD-O 3.48Å; K178-F256 WeakPolarHBondContact CE-O 3.24Å; K178-F256 HydrophobicContact CG-CE1 4.5Å; K178-F256 HydrophobicContact CG-CZ 4.35Å; K178-L257 HydrophobicContact CB-CD2 3.77Å; K178-L257 HydrophobicContact CD-CD2 3.9Å; K178-L257 HydrophobicContact CG-CD2 4.47Å
179F98.9Very high98.8Very high0 Ų018.5 Ų18.50%09%0.089CC..EExtended strand (participates in β ladder)trans-123.6134-171.1-57.7-88.9000110.4F73 L167 L170 A177 K233 C234 M235F73-F179 HydrophobicContact CB-CD1 3.55Å; F73-F179 HydrophobicContact CB-CE1 3.75Å; F73-F179 HydrophobicContact CD2-CD1 4.32Å; F73-F179 AromaticContact CD2-CE1 3.74Å; F73-F179 HydrophobicContact CD2-CE1 3.74Å; F73-F179 HydrophobicContact CD2-CZ 4.2Å; F73-F179 HydrophobicContact CG-CD1 4.24Å; F73-F179 AromaticContact CG-CE1 3.91Å; F73-F179 HydrophobicContact CG-CE1 3.91Å; F73-F179 CarbonylContact O-C 3.57Å; F73-F179 WeakPolarHBondContact O-CA 3.4Å; L167-F179 HydrophobicContact CD1-CB 4.09Å; L167-F179 HydrophobicContact CD1-CD1 4.37Å; L167-F179 HydrophobicContact CD1-CG 4.23Å; L167-F179 HydrophobicContact CD2-CD1 4.36Å; L167-F179 HydrophobicContact CD2-CD2 4.1Å; L167-F179 HydrophobicContact CD2-CE2 4.44Å; L167-F179 HydrophobicContact CD2-CG 4.09Å; L167-F179 HydrophobicContact CG-CB 4.21Å; L167-F179 HydrophobicContact CG-CD1 3.71Å; L167-F179 HydrophobicContact CG-CD2 4.31Å; L167-F179 HydrophobicContact CG-CE1 4.19Å; L167-F179 HydrophobicContact CG-CG 3.8Å; L170-F179 HydrophobicContact CB-CE1 3.69Å; L170-F179 HydrophobicContact CB-CZ 3.8Å; L170-F179 HydrophobicContact CD1-CE1 4.23Å; A177-F179 HydrophobicContact CB-CE2 4.22Å; A177-F179 HydrophobicContact CB-CZ 4.08Å; F179-K233 WeakPolarHBondContact CD2-O 3.41Å; F179-K233 PolarHBondContact N-O 3.4Å; F179-C234 HydrophobicContact CB-CB 3.98Å; F179-C234 WeakPolarHBondContact O-CA 3.44Å; F179-M235 PolarHBondContact O-N 2.89Å
180L98.9Very high98.8Very high0 Ų016.8 Ų16.80%08%0.082CC..EExtended strand (participates in β ladder)trans-115.5104.1173.5-59.6174.7000107.7I72 F73 I74 G75 L89 M182 M235 V237 L253 F256 L257I72-L180 HydrophobicContact CG2-CD1 3.99Å; I72-L180 HydrophobicContact CG2-CG 4.41Å; F73-L180 PolarHBondContact O-N 2.72Å; I74-L180 HydrophobicContact CD1-CD1 4.5Å; I74-L180 HydrophobicContact CG1-CB 4.19Å; I74-L180 HydrophobicContact CG1-CD1 4Å; G75-L180 PolarHBondContact N-O 2.84Å; G75-L180 VanDerWaalsContact N-O 3.09Å; L89-L180 HydrophobicContact CD1-CD1 3.94Å; L180-M182 PolarHBondContact O-N 3.02Å; L180-M235 HydrophobicContact CD2-CB 4.12Å; L180-V237 HydrophobicContact CD2-CG2 4.35Å; L180-L253 HydrophobicContact CD1-CD1 3.78Å; L180-L253 HydrophobicContact CD1-CD2 4.05Å; L180-L253 HydrophobicContact CD1-CG 4.08Å; L180-L253 HydrophobicContact CD2-CD1 3.91Å; L180-L253 HydrophobicContact CD2-CG 3.89Å; L180-L253 HydrophobicContact CG-CD1 4.44Å; L180-F256 HydrophobicContact CD2-CD1 3.97Å; L180-F256 HydrophobicContact CD2-CE1 3.78Å; L180-L257 HydrophobicContact CD1-CD1 4.4Å; L180-L257 HydrophobicContact CD2-CD2 4.48Å
181L98.9Very high98.8Very high0 Ų018 Ų180%09%0.087CC..EExtended strand (participates in β ladder)trans-89.4105177.5177.557.7000109L164 V183 I219 M222 C226 M235 L236 V237L164-L181 HydrophobicContact CD2-CB 4.1Å; L164-L181 HydrophobicContact CD2-CD1 3.9Å; L181-V183 HydrophobicContact CG-CG2 4.27Å; L181-V183 PolarHBondContact O-N 3.44Å; L181-I219 HydrophobicContact CD1-CD1 4.2Å; L181-M222 HydrophobicContact CD1-CB 3.83Å; L181-M222 HydrophobicContact CD1-SD 4.36Å; L181-M222 HydrophobicContact CD2-CB 4.23Å; L181-C226 HydrophobicContact CD2-CB 3.81Å; L181-M235 PolarHBondContact N-O 3.22Å; L181-L236 HydrophobicContact CD2-CD1 4.33Å; L181-V237 PolarHBondContact O-N 2.97Å
182M98.9Very high98.8Very high0 Ų018 Ų180%09%0.087CC..EExtended strand (participates in β ladder)trans-70.4122.9173-62.7-55.4-59.400110.1I74 G75 T82 M85 L180 V237 L242I74-M182 HydrophobicContact CG2-CG 4.11Å; G75-M182 VanDerWaalsContact O-CB 3.29Å; G75-M182 WeakPolarHBondContact O-CB 3.39Å; G75-M182 PolarHBondContact O-N 3.31Å; T82-M182 HydrophobicContact CG2-CB 3.77Å; T82-M182 HydrophobicContact CG2-CG 3.67Å; M85-M182 HydrophobicContact CB-CE 4.11Å; M85-M182 HydrophobicContact CB-CG 4.25Å; M85-M182 HydrophobicContact CB-SD 3.56Å; M85-M182 VanDerWaalsContact CB-SD 3.56Å; M85-M182 HydrophobicContact CG-CG 4.48Å; M85-M182 HydrophobicContact CG-SD 3.52Å; M85-M182 VanDerWaalsContact CG-SD 3.52Å; M85-M182 HydrophobicContact SD-SD 3.95Å; L180-M182 PolarHBondContact O-N 3.02Å; M182-V237 WeakPolarHBondContact CA-O 3.46Å; M182-V237 HydrophobicContact CE-CB 4.28Å; M182-V237 HydrophobicContact CE-CG1 3.95Å; M182-V237 HydrophobicContact SD-CB 3.73Å; M182-V237 HydrophobicContact SD-CG1 3.87Å; M182-L242 HydrophobicContact CE-CD2 4Å
183V98.9Very high98.8Very high0 Ų011.9 Ų11.90%06%0.064CC..EExtended strand (participates in β ladder)trans-114134.4175.6-177.10000107.9L181 L236 V237 H238 Y239 L324 Y326L181-V183 HydrophobicContact CG-CG2 4.27Å; L181-V183 PolarHBondContact O-N 3.44Å; V183-L236 HydrophobicContact CG2-CB 4.47Å; V183-L236 HydrophobicContact CG2-CD2 4.12Å; V183-L236 HydrophobicContact CG2-CG 3.95Å; V183-V237 PolarHBondContact N-O 2.97Å; V183-H238 CarbonylContact O-C 3.56Å; V183-H238 WeakPolarHBondContact O-CA 3.2Å; V183-Y239 PolarHBondContact O-N 3.16Å; V183-L324 HydrophobicContact CG1-CB 4.26Å; V183-L324 HydrophobicContact CG1-CD1 3.87Å; V183-L324 HydrophobicContact CG1-CD2 4.11Å; V183-L324 HydrophobicContact CG1-CG 4.3Å; V183-L324 HydrophobicContact CG2-CD2 4.48Å; V183-Y326 HydrophobicContact CG1-CE2 3.87Å
184R98.9Very high98.8Very high18 Ų1813.2 Ų13.27%0.0687%0.071CC..  trans-140.8153.8173.5-171.2178.5-172.7-175.75.4108.1R79 G186 A188 Y239 E240 A298R79-R184 WeakPolarHBondContact O-CD 3.36Å; R79-R184 PolarHBondContact O-NH1 3.2Å; R184-G186 PolarHBondContact O-N 3.32Å; R184-G186 VanDerWaalsContact O-N 3.13Å; R184-A188 HydrophobicContact CG-CB 4.32Å; R184-Y239 HydrophobicContact CG-CD1 3.71Å; R184-Y239 HydrophobicContact CG-CG 4.06Å; R184-Y239 VanDerWaalsContact NE-CE1 3.34Å; R184-E240 WeakPolarHBondContact CG-OE1 3.38Å; R184-A298 PolarHBondContact NH2-O 3.43Å
185D98.9Very high98.7Very high0 Ų016.6 Ų16.60%010%0.095CC..  trans-48.8121.4170-167.6-38.3000110.1R187 A188 S189 E240 L321 Y326 Y335D185-R187 PolarHBondContact O-N 3.08Å; D185-R187 VanDerWaalsContact O-N 3.17Å; D185-R187 VanDerWaalsContact OD1-CB 3.26Å; D185-R187 WeakPolarHBondContact OD1-CB 3.46Å; D185-R187 IonicContact OD1-CZ 3.41Å; D185-R187 PolarHBondContact OD1-N 3.23Å; D185-R187 IonicContact OD1-NE 3.57Å; D185-R187 PolarHBondContact OD1-NE 3.15Å; D185-R187 IonicContact OD1-NH2 2.75Å; D185-R187 IonicContact OD2-CZ 3.56Å; D185-R187 IonicContact OD2-NE 3.36Å; D185-R187 PolarHBondContact OD2-NE 2.95Å; D185-R187 IonicContact OD2-NH2 3.66Å; D185-R187 PolarHBondContact OD2-NH2 3.43Å; D185-A188 HydrophobicContact CB-CB 4.25Å; D185-A188 WeakPolarHBondContact O-CB 3.29Å; D185-A188 PolarHBondContact O-N 2.85Å; D185-S189 PolarHBondContact O-N 2.56Å; D185-S189 VanDerWaalsContact O-N 3.07Å; D185-E240 PolarHBondContact N-OE1 3.38Å; D185-L321 WeakPolarHBondContact OD1-CD2 3.35Å; D185-Y326 HydrophobicContact CB-CD1 3.92Å; D185-Y326 HydrophobicContact CB-CE1 3.95Å; D185-Y326 HydrophobicContact CB-CG 4.34Å; D185-Y335 HydrophobicContact CB-CE1 4.19Å; D185-Y335 PolarHBondContact OD2-OH 3.41Å
186G98.8Very high98.6Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-58.1-31.7-176.500000113R184 A188 S189 V190R184-G186 PolarHBondContact O-N 3.32Å; R184-G186 VanDerWaalsContact O-N 3.13Å; G186-A188 VanDerWaalsContact C-N 3.34Å; G186-A188 PolarHBondContact O-N 3.31Å; G186-S189 PolarHBondContact O-N 2.91Å; G186-V190 WeakPolarHBondContact O-CB 3.14Å; G186-V190 VanDerWaalsContact O-CG2 3.29Å; G186-V190 WeakPolarHBondContact O-CG2 3.21Å; G186-V190 PolarHBondContact O-N 3.38Å
187R98.9Very high98.5Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-63.6-40.7175.6-64.6169.3-66.5-162-4.8111.3D185 H191 L212 W302 I306 M314 L321 D327 P328 A330D185-R187 PolarHBondContact O-N 3.08Å; D185-R187 VanDerWaalsContact O-N 3.17Å; D185-R187 VanDerWaalsContact OD1-CB 3.26Å; D185-R187 WeakPolarHBondContact OD1-CB 3.46Å; D185-R187 IonicContact OD1-CZ 3.41Å; D185-R187 PolarHBondContact OD1-N 3.23Å; D185-R187 IonicContact OD1-NE 3.57Å; D185-R187 PolarHBondContact OD1-NE 3.15Å; D185-R187 IonicContact OD1-NH2 2.75Å; D185-R187 IonicContact OD2-CZ 3.56Å; D185-R187 IonicContact OD2-NE 3.36Å; D185-R187 PolarHBondContact OD2-NE 2.95Å; D185-R187 IonicContact OD2-NH2 3.66Å; D185-R187 PolarHBondContact OD2-NH2 3.43Å; R187-H191 VanDerWaalsContact O-CB 3.22Å; R187-H191 WeakPolarHBondContact O-CB 3.5Å; R187-H191 PolarHBondContact O-N 2.96Å; R187-L212 HydrophobicContact CG-CD2 4.37Å; R187-W302 HydrophobicContact CB-CD2 3.67Å; R187-W302 HydrophobicContact CB-CE3 3.66Å; R187-W302 HydrophobicContact CB-CG 4.23Å; R187-W302 HydrophobicContact CB-CH2 4.17Å; R187-W302 HydrophobicContact CB-CZ2 4.16Å; R187-W302 HydrophobicContact CB-CZ3 3.92Å; R187-W302 VanDerWaalsContact CD-CH2 3.45Å; R187-W302 HydrophobicContact CG-CE3 4.41Å; R187-W302 HydrophobicContact CG-CH2 4.39Å; R187-W302 HydrophobicContact CG-CZ3 4.22Å; R187-I306 HydrophobicContact CB-CD1 3.64Å; R187-I306 HydrophobicContact CG-CD1 3.69Å; R187-M314 HydrophobicContact CG-CE 3.75Å; R187-M314 HydrophobicContact CG-SD 3.75Å; R187-L321 HydrophobicContact CG-CD1 4.4Å; R187-D327 PolarHBondContact NH1-O 2.62Å; R187-D327 PolarHBondContact NH2-O 3.33Å; R187-P328 PolarHBondContact NH1-O 2.92Å; R187-A330 PolarHBondContact NH1-O 3.25Å
188A98.8Very high98.4Very high4 Ų422.2 Ų22.23%0.03311%0.108CC..Hα-helixtrans-70-43.7176.800000112.3R184 D185 G186 S192 W302R184-A188 HydrophobicContact CG-CB 4.32Å; D185-A188 HydrophobicContact CB-CB 4.25Å; D185-A188 WeakPolarHBondContact O-CB 3.29Å; D185-A188 PolarHBondContact O-N 2.85Å; G186-A188 VanDerWaalsContact C-N 3.34Å; G186-A188 PolarHBondContact O-N 3.31Å; A188-S192 VanDerWaalsContact O-CB 3.31Å; A188-S192 WeakPolarHBondContact O-CB 3.48Å; A188-S192 PolarHBondContact O-N 2.95Å; A188-W302 HydrophobicContact CB-CG 4.29Å
189S98.8Very high98.2Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-64.8-44.2178-710000111.9R79 S80 D185 G186 S192 M193R79-S189 PolarHBondContact O-OG 3.45Å; S80-S189 PolarHBondContact OG-OG 3.11Å; S80-S189 VanDerWaalsContact OG-OG 3.06Å; D185-S189 PolarHBondContact O-N 2.56Å; D185-S189 VanDerWaalsContact O-N 3.07Å; G186-S189 PolarHBondContact O-N 2.91Å; S189-S192 PolarHBondContact O-N 3.28Å; S189-M193 PolarHBondContact O-N 3.43Å
190V98.8Very high98Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-65.8-48.6177.21690000111.7G186 S192 M193 I194 Y208 C211 L212 W215G186-V190 WeakPolarHBondContact O-CB 3.14Å; G186-V190 VanDerWaalsContact O-CG2 3.29Å; G186-V190 WeakPolarHBondContact O-CG2 3.21Å; G186-V190 PolarHBondContact O-N 3.38Å; V190-S192 PolarHBondContact O-N 2.92Å; V190-M193 HydrophobicContact CG2-CE 4.18Å; V190-M193 WeakPolarHBondContact O-CG 3.5Å; V190-M193 PolarHBondContact O-N 2.98Å; V190-M193 VanDerWaalsContact O-N 3.16Å; V190-I194 HydrophobicContact CG1-CD1 3.68Å; V190-I194 HydrophobicContact CG1-CG1 4.36Å; V190-I194 WeakPolarHBondContact O-CG1 3.45Å; V190-I194 PolarHBondContact O-N 3.14Å; V190-Y208 HydrophobicContact CG1-CD1 3.68Å; V190-Y208 HydrophobicContact CG1-CE1 4.18Å; V190-Y208 HydrophobicContact CG1-CG 4.42Å; V190-C211 HydrophobicContact CB-CB 4.28Å; V190-C211 HydrophobicContact CG1-CB 3.43Å; V190-C211 VanDerWaalsContact CG1-CB 3.43Å; V190-C211 HydrophobicContact CG2-CB 3.92Å; V190-L212 HydrophobicContact CB-CD2 4.2Å; V190-L212 HydrophobicContact CB-CG 4.24Å; V190-L212 HydrophobicContact CG1-CG 4.21Å; V190-L212 HydrophobicContact CG2-CD2 3.83Å; V190-L212 HydrophobicContact CG2-CG 3.94Å; V190-W215 HydrophobicContact CG2-CB 4.02Å; V190-W215 HydrophobicContact CG2-CG 4.49Å
191H98.8Very high97.6Very high26 Ų2632.4 Ų32.412%0.1218%0.183CC..Hα-helixtrans-56.1-42174.4177.460.8000111.3R187 M193 I194 S195 Y208 W302R187-H191 VanDerWaalsContact O-CB 3.22Å; R187-H191 WeakPolarHBondContact O-CB 3.5Å; R187-H191 PolarHBondContact O-N 2.96Å; H191-M193 PolarHBondContact O-N 2.9Å; H191-I194 PolarHBondContact O-N 3.34Å; H191-S195 VanDerWaalsContact O-CB 3.31Å; H191-S195 WeakPolarHBondContact O-CB 3.24Å; H191-S195 PolarHBondContact O-N 2.02Å; H191-S195 PolarHBondContact O-OG 3.09Å; H191-S195 VanDerWaalsContact O-OG 3.11Å; H191-Y208 HydrophobicContact CB-CE1 4.18Å; H191-Y208 PolarHBondContact ND1-OH 3.47Å; H191-W302 HydrophobicContact CB-CB 3.52Å
192S98.5Very high97.3Very high14 Ų1435.2 Ų35.210%0.09821%0.212CC..Hα-helixtrans-65.9-35.8178.9179.60000114R79 A188 S189 V190 R196R79-S192 PolarHBondContact NE-OG 3.46Å; R79-S192 PolarHBondContact NH2-OG 2.93Å; A188-S192 VanDerWaalsContact O-CB 3.31Å; A188-S192 WeakPolarHBondContact O-CB 3.48Å; A188-S192 PolarHBondContact O-N 2.95Å; S189-S192 PolarHBondContact O-N 3.28Å; V190-S192 PolarHBondContact O-N 2.92Å; S192-R196 WeakPolarHBondContact O-CB 3.3Å; S192-R196 PolarHBondContact O-N 3.25Å
193M97.9Very high97.2Very high0 Ų036.5 Ų36.50%022%0.218CC..Hα-helixtrans-75.2-37.9178.664-176.775.500111.4V77 R79 S189 V190 H191 K197 V198 I200 F203 L205 C211V77-M193 HydrophobicContact CG1-CE 4.45Å; R79-M193 HydrophobicContact CG-CB 3.93Å; S189-M193 PolarHBondContact O-N 3.43Å; V190-M193 HydrophobicContact CG2-CE 4.18Å; V190-M193 WeakPolarHBondContact O-CG 3.5Å; V190-M193 PolarHBondContact O-N 2.98Å; V190-M193 VanDerWaalsContact O-N 3.16Å; H191-M193 PolarHBondContact O-N 2.9Å; M193-K197 CarbonylContact O-C 3.43Å; M193-K197 WeakPolarHBondContact O-CA 3.46Å; M193-K197 PolarHBondContact O-N 3.06Å; M193-V198 HydrophobicContact CB-CB 4.36Å; M193-V198 PolarHBondContact O-N 3.21Å; M193-I200 HydrophobicContact CE-CD1 4.04Å; M193-I200 HydrophobicContact SD-CD1 4Å; M193-F203 HydrophobicContact CE-CD1 4.39Å; M193-F203 HydrophobicContact CE-CE1 4.18Å; M193-F203 HydrophobicContact SD-CD1 3.62Å; M193-F203 HydrophobicContact SD-CE1 4.02Å; M193-L205 HydrophobicContact CB-CD2 4.38Å; M193-L205 HydrophobicContact CG-CD2 4.14Å; M193-L205 HydrophobicContact SD-CD2 4.45Å; M193-C211 HydrophobicContact SD-CB 4.25Å
194I98.4Very high97.1Very high28 Ų2840 Ų4014%0.14424%0.236CC..Hα-helixtrans-67.7-55.8177.5-67.1176.4000110.3V190 H191 R196 K197 Y208 C211V190-I194 HydrophobicContact CG1-CD1 3.68Å; V190-I194 HydrophobicContact CG1-CG1 4.36Å; V190-I194 WeakPolarHBondContact O-CG1 3.45Å; V190-I194 PolarHBondContact O-N 3.14Å; H191-I194 PolarHBondContact O-N 3.34Å; I194-R196 VanDerWaalsContact C-N 3.25Å; I194-R196 PolarHBondContact O-N 2.86Å; I194-K197 PolarHBondContact O-N 2.85Å; I194-Y208 HydrophobicContact CD1-CD1 3.79Å; I194-Y208 HydrophobicContact CD1-CD2 3.65Å; I194-Y208 HydrophobicContact CD1-CE1 3.91Å; I194-Y208 HydrophobicContact CD1-CE2 3.79Å; I194-Y208 HydrophobicContact CD1-CG 3.65Å; I194-Y208 HydrophobicContact CG2-CE2 4.14Å; I194-C211 HydrophobicContact CD1-CB 4.31Å
195S97.8Very high97Very high71 Ų7140.8 Ų40.850%0.49724%0.242SC..Hα-helixtrans-64.4-30.9-173.575.70000113.1H191H191-S195 VanDerWaalsContact O-CB 3.31Å; H191-S195 WeakPolarHBondContact O-CB 3.24Å; H191-S195 PolarHBondContact O-N 2.02Å; H191-S195 PolarHBondContact O-OG 3.09Å; H191-S195 VanDerWaalsContact O-OG 3.11Å
196R96.4Very high97Very high87 Ų8748.1 Ų48.133%0.32828%0.281SS..THydrogen-bonded Turntrans-95.51.8176.5-63.5-175.2170.7-101.17.1113.3S192 I194 V198 R285 D288S192-R196 WeakPolarHBondContact O-CB 3.3Å; S192-R196 PolarHBondContact O-N 3.25Å; I194-R196 VanDerWaalsContact C-N 3.25Å; I194-R196 PolarHBondContact O-N 2.86Å; R196-V198 VanDerWaalsContact C-N 3.28Å; R196-V198 HydrophobicContact CB-CG2 3.89Å; R196-V198 PolarHBondContact O-N 3.37Å; R196-R285 PolarHBondContact O-NH1 3.18Å; R196-R285 PolarHBondContact O-NH2 2.9Å; R196-D288 IonicContact CZ-OD2 3.4Å; R196-D288 IonicContact NH1-OD2 3.11Å; R196-D288 PolarHBondContact NH1-OD2 3.48Å; R196-D288 IonicContact NH2-OD2 3.76Å
197K97Very high97Very high164 Ų16449.9 Ų49.971%0.71329%0.293SS*.THydrogen-bonded Turntrans50.248.2-176.5-54.3-178.8179.6-178.10112M193 I194 T199 R285M193-K197 CarbonylContact O-C 3.43Å; M193-K197 WeakPolarHBondContact O-CA 3.46Å; M193-K197 PolarHBondContact O-N 3.06Å; I194-K197 PolarHBondContact O-N 2.85Å; K197-T199 PolarHBondContact O-N 3.02Å; K197-R285 PolarHBondContact O-NH1 2.03Å
198V95.8Very high97Very high17 Ų1751.4 Ų51.410%0.10330%0.299CS..  trans-86.5103.2176.5-179.10000107.8M193 R196 R285M193-V198 HydrophobicContact CB-CB 4.36Å; M193-V198 PolarHBondContact O-N 3.21Å; R196-V198 VanDerWaalsContact C-N 3.28Å; R196-V198 HydrophobicContact CB-CG2 3.89Å; R196-V198 PolarHBondContact O-N 3.37Å; V198-R285 HydrophobicContact CG1-CG 4.34Å; V198-R285 HydrophobicContact CG2-CB 3.98Å; V198-R285 HydrophobicContact CG2-CG 4.14Å
199T94.4Very high97Very high126 Ų12655 Ų5577%0.77331%0.312SS*.  trans-70.4130.4-175.751.20000111.5K197 L205K197-T199 PolarHBondContact O-N 3.02Å; T199-L205 HydrophobicContact CG2-CD1 4.21Å
200I94.8Very high97Very high21 Ų2156.8 Ų56.811%0.10832%0.322CS..  trans-131.1126.6175.6-58.4171.9000106.9P78 F162 M193 G202 F203P78-I200 HydrophobicContact CB-CD1 3.77Å; P78-I200 HydrophobicContact CB-CG1 4.5Å; P78-I200 HydrophobicContact CG-CD1 3.85Å; P78-I200 HydrophobicContact CG-CG1 4.39Å; F162-I200 HydrophobicContact CE2-CG2 3.6Å; F162-I200 HydrophobicContact CZ-CG2 3.97Å; M193-I200 HydrophobicContact CE-CD1 4.04Å; M193-I200 HydrophobicContact SD-CD1 4Å; I200-G202 PolarHBondContact O-N 2.9Å; I200-F203 HydrophobicContact CB-CB 4.23Å; I200-F203 HydrophobicContact CB-CD2 3.88Å; I200-F203 HydrophobicContact CB-CE2 4.49Å; I200-F203 HydrophobicContact CB-CG 4.11Å; I200-F203 HydrophobicContact CG2-CD2 3.48Å; I200-F203 VanDerWaalsContact CG2-CD2 3.48Å; I200-F203 HydrophobicContact CG2-CE2 3.72Å; I200-F203 HydrophobicContact CG2-CG 4.21Å; I200-F203 PolarHBondContact O-N 2.91Å
201A91.2Very high97Very high104 Ų10456.8 Ų56.886%0.8632%0.322SS*.THydrogen-bonded Turntrans-56.1125.3-17800000111.1
202G91.9Very high97Very high59 Ų5955.6 Ų55.661%0.60832%0.316SS*.THydrogen-bonded Turntrans84.53.7-179.900000116I200 K214I200-G202 PolarHBondContact O-N 2.9Å; G202-K214 PolarHBondContact O-NZ 2.96Å
203F97.2Very high97Very high27 Ų2757.9 Ų57.912%0.11833%0.329CS..  trans-102.2125.2171.5-75.7-117.3000109.7M193 I200 L205 C211 K214 W215M193-F203 HydrophobicContact CE-CD1 4.39Å; M193-F203 HydrophobicContact CE-CE1 4.18Å; M193-F203 HydrophobicContact SD-CD1 3.62Å; M193-F203 HydrophobicContact SD-CE1 4.02Å; I200-F203 HydrophobicContact CB-CB 4.23Å; I200-F203 HydrophobicContact CB-CD2 3.88Å; I200-F203 HydrophobicContact CB-CE2 4.49Å; I200-F203 HydrophobicContact CB-CG 4.11Å; I200-F203 HydrophobicContact CG2-CD2 3.48Å; I200-F203 VanDerWaalsContact CG2-CD2 3.48Å; I200-F203 HydrophobicContact CG2-CE2 3.72Å; I200-F203 HydrophobicContact CG2-CG 4.21Å; I200-F203 PolarHBondContact O-N 2.91Å; F203-L205 PolarHBondContact O-N 3.04Å; F203-C211 HydrophobicContact CD1-CB 4.21Å; F203-C211 WeakPolarHBondContact CE1-O 3.39Å; F203-K214 HydrophobicContact CD1-CB 3.77Å; F203-K214 HydrophobicContact CD2-CB 4.04Å; F203-K214 HydrophobicContact CE1-CB 3.42Å; F203-K214 VanDerWaalsContact CE1-CB 3.42Å; F203-K214 HydrophobicContact CE2-CB 3.72Å; F203-K214 HydrophobicContact CG-CB 4.07Å; F203-K214 HydrophobicContact CZ-CB 3.39Å; F203-W215 HydrophobicContact CE1-CB 4.48Å
204D97.3Very high97Very high74 Ų7461 Ų6140%0.39634%0.343SS..  trans-85105.4170.317717.9000110.5N206 S207 D210 C211D204-N206 PolarHBondContact O-N 3.31Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.47Å; D204-N206 PolarHBondContact OD1-N 3.27Å; D204-N206 PolarHBondContact OD1-ND2 2.66Å; D204-S207 PolarHBondContact O-N 3.36Å; D204-S207 VanDerWaalsContact O-N 3.08Å; D204-D210 HydrophobicContact CB-CB 4.22Å; D204-D210 PolarHBondContact N-OD2 2.9Å; D204-C211 PolarHBondContact O-SG 3.35Å
205L97.5Very high97.1Very high34 Ų3459.8 Ų59.818%0.17834%0.337CS..THydrogen-bonded Turntrans-69.4-8.1-178.1-59.6-174.2000113.7M193 T199 F203 S207M193-L205 HydrophobicContact CB-CD2 4.38Å; M193-L205 HydrophobicContact CG-CD2 4.14Å; M193-L205 HydrophobicContact SD-CD2 4.45Å; T199-L205 HydrophobicContact CG2-CD1 4.21Å; F203-L205 PolarHBondContact O-N 3.04Å; L205-S207 VanDerWaalsContact C-N 3.33Å
206N98Very high97.1Very high155 Ų15557.2 Ų57.283%0.82932%0.317SS*.THydrogen-bonded Turntrans-86.2-7.9173.5-55.7-55.6000112.6D204D204-N206 PolarHBondContact O-N 3.31Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.47Å; D204-N206 PolarHBondContact OD1-N 3.27Å; D204-N206 PolarHBondContact OD1-ND2 2.66Å
207S98.6Very high97.2Very high36 Ų3661.6 Ų61.625%0.25233%0.334SS..  trans-127.5109.6-175.9179.80000111.9D204 L205 R209 D210 C211D204-S207 PolarHBondContact O-N 3.36Å; D204-S207 VanDerWaalsContact O-N 3.08Å; L205-S207 VanDerWaalsContact C-N 3.33Å; S207-R209 PolarHBondContact O-N 3.13Å; S207-D210 PolarHBondContact O-N 3.09Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.1Å; S207-C211 WeakPolarHBondContact O-CB 3.25Å; S207-C211 PolarHBondContact O-N 2.81Å
208Y98.8Very high97.3Very high32 Ų3254.1 Ų54.113%0.12530%0.303CS..Hα-helixtrans-57.6-37.8170.1-86.1-93.9000111.5V190 H191 I194 C211 L212 K305 I306 P307V190-Y208 HydrophobicContact CG1-CD1 3.68Å; V190-Y208 HydrophobicContact CG1-CE1 4.18Å; V190-Y208 HydrophobicContact CG1-CG 4.42Å; H191-Y208 HydrophobicContact CB-CE1 4.18Å; H191-Y208 PolarHBondContact ND1-OH 3.47Å; I194-Y208 HydrophobicContact CD1-CD1 3.79Å; I194-Y208 HydrophobicContact CD1-CD2 3.65Å; I194-Y208 HydrophobicContact CD1-CE1 3.91Å; I194-Y208 HydrophobicContact CD1-CE2 3.79Å; I194-Y208 HydrophobicContact CD1-CG 3.65Å; I194-Y208 HydrophobicContact CG2-CE2 4.14Å; Y208-C211 PolarHBondContact O-N 3.48Å; Y208-L212 VanDerWaalsContact O-CB 3.3Å; Y208-L212 WeakPolarHBondContact O-CB 3.28Å; Y208-L212 WeakPolarHBondContact O-CG 3.42Å; Y208-L212 PolarHBondContact O-N 2.74Å; Y208-K305 PolarHBondContact OH-O 2.83Å; Y208-I306 HydrophobicContact CD1-CG1 3.96Å; Y208-I306 HydrophobicContact CD1-CG2 4.43Å; Y208-I306 HydrophobicContact CE1-CG1 3.92Å; Y208-P307 HydrophobicContact CD2-CG 4.2Å
209R98.8Very high97.4Very high79 Ų7953.4 Ų53.430%0.29830%0.298SS..Hα-helixtrans-62.2-49178.5-174.6174.3-68.3-94.80.8111.6S207 L212 T213 D309 V310 D313 I317S207-R209 PolarHBondContact O-N 3.13Å; R209-L212 PolarHBondContact O-N 3.39Å; R209-T213 WeakPolarHBondContact O-CB 3.38Å; R209-T213 PolarHBondContact O-N 2.89Å; R209-T213 PolarHBondContact O-OG1 2.85Å; R209-D309 IonicContact CZ-OD2 3.9Å; R209-D309 IonicContact NE-OD2 2.7Å; R209-D309 PolarHBondContact NH2-O 3.27Å; R209-D309 IonicContact NH2-OD2 2.88Å; R209-D309 PolarHBondContact NH2-OD2 3.33Å; R209-V310 HydrophobicContact CB-CG2 3.99Å; R209-D313 IonicContact CZ-OD2 3.37Å; R209-D313 VanDerWaalsContact CZ-OD2 3.22Å; R209-D313 IonicContact NH1-OD2 2.74Å; R209-D313 PolarHBondContact NH1-OD2 2.74Å; R209-D313 IonicContact NH2-OD2 3.93Å; R209-D313 PolarHBondContact NH2-OD2 3.04Å; R209-I317 HydrophobicContact CG-CD1 3.98Å; R209-I317 HydrophobicContact CG-CG1 4.4Å
210D98.7Very high97.7Very high39 Ų3950.8 Ų50.821%0.20928%0.277CS..Hα-helixtrans-63.1-49.1176.9-17869.2000110.6D204 S207 L212 T213 K214D204-D210 HydrophobicContact CB-CB 4.22Å; D204-D210 PolarHBondContact N-OD2 2.9Å; S207-D210 PolarHBondContact O-N 3.09Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.1Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 2.98Å; D210-T213 WeakPolarHBondContact O-CB 3.35Å; D210-T213 PolarHBondContact O-N 3.04Å; D210-T213 VanDerWaalsContact O-N 3.16Å; D210-K214 WeakPolarHBondContact O-CB 3.41Å; D210-K214 WeakPolarHBondContact O-CG 3.27Å; D210-K214 PolarHBondContact O-N 3.41Å; D210-K214 IonicContact OD1-NZ 3.65Å; D210-K214 PolarHBondContact OD1-NZ 3.18Å; D210-K214 IonicContact OD2-NZ 3.6Å; D210-K214 PolarHBondContact OD2-NZ 2.77Å
211C98.8Very high97.9Very high0 Ų051.9 Ų51.90%029%0.285CS..Hα-helixtrans-59.3-40.5-179.7-76.60000112.8V190 M193 I194 F203 D204 S207 Y208 W215V190-C211 HydrophobicContact CB-CB 4.28Å; V190-C211 HydrophobicContact CG1-CB 3.43Å; V190-C211 VanDerWaalsContact CG1-CB 3.43Å; V190-C211 HydrophobicContact CG2-CB 3.92Å; M193-C211 HydrophobicContact SD-CB 4.25Å; I194-C211 HydrophobicContact CD1-CB 4.31Å; F203-C211 HydrophobicContact CD1-CB 4.21Å; F203-C211 WeakPolarHBondContact CE1-O 3.39Å; D204-C211 PolarHBondContact O-SG 3.35Å; S207-C211 WeakPolarHBondContact O-CB 3.25Å; S207-C211 PolarHBondContact O-N 2.81Å; Y208-C211 PolarHBondContact O-N 3.48Å; C211-W215 WeakPolarHBondContact O-CB 3.49Å; C211-W215 PolarHBondContact O-N 3.44Å
212L98.9Very high98.2Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-68.5-41.6175.6-79164.4000112.1R187 V190 Y208 R209 D210 K214 W215 N216 V310 M314 I317R187-L212 HydrophobicContact CG-CD2 4.37Å; V190-L212 HydrophobicContact CB-CD2 4.2Å; V190-L212 HydrophobicContact CB-CG 4.24Å; V190-L212 HydrophobicContact CG1-CG 4.21Å; V190-L212 HydrophobicContact CG2-CD2 3.83Å; V190-L212 HydrophobicContact CG2-CG 3.94Å; Y208-L212 VanDerWaalsContact O-CB 3.3Å; Y208-L212 WeakPolarHBondContact O-CB 3.28Å; Y208-L212 WeakPolarHBondContact O-CG 3.42Å; Y208-L212 PolarHBondContact O-N 2.74Å; R209-L212 PolarHBondContact O-N 3.39Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 2.98Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 3.35Å; L212-W215 PolarHBondContact O-N 2.95Å; L212-N216 WeakPolarHBondContact O-CB 3.36Å; L212-N216 PolarHBondContact O-N 2.86Å; L212-V310 HydrophobicContact CD1-CG1 3.46Å; L212-V310 VanDerWaalsContact CD1-CG1 3.46Å; L212-M314 HydrophobicContact CD1-CE 3.85Å; L212-M314 HydrophobicContact CD1-SD 3.89Å; L212-M314 HydrophobicContact CD2-SD 4.3Å; L212-I317 HydrophobicContact CB-CG2 3.51Å
213T98.9Very high98.5Very high62 Ų6246.8 Ų46.838%0.3823%0.226SC..Hα-helixtrans-59.7-45.3175.6-56.10000110.8R209 D210 N216 R217R209-T213 WeakPolarHBondContact O-CB 3.38Å; R209-T213 PolarHBondContact O-N 2.89Å; R209-T213 PolarHBondContact O-OG1 2.85Å; D210-T213 WeakPolarHBondContact O-CB 3.35Å; D210-T213 PolarHBondContact O-N 3.04Å; D210-T213 VanDerWaalsContact O-N 3.16Å; T213-N216 WeakPolarHBondContact O-CB 2.99Å; T213-N216 PolarHBondContact O-N 3.04Å; T213-R217 PolarHBondContact O-N 2.81Å
214K98.7Very high98.6Very high67 Ų6749.6 Ų49.629%0.29124%0.242SC..Hα-helixtrans-72.4-37.3-180-62.3-75.7174.3500111.9G202 F203 D210 L212 N216 A218G202-K214 PolarHBondContact O-NZ 2.96Å; F203-K214 HydrophobicContact CD1-CB 3.77Å; F203-K214 HydrophobicContact CD2-CB 4.04Å; F203-K214 HydrophobicContact CE1-CB 3.42Å; F203-K214 VanDerWaalsContact CE1-CB 3.42Å; F203-K214 HydrophobicContact CE2-CB 3.72Å; F203-K214 HydrophobicContact CG-CB 4.07Å; F203-K214 HydrophobicContact CZ-CB 3.39Å; D210-K214 WeakPolarHBondContact O-CB 3.41Å; D210-K214 WeakPolarHBondContact O-CG 3.27Å; D210-K214 PolarHBondContact O-N 3.41Å; D210-K214 IonicContact OD1-NZ 3.65Å; D210-K214 PolarHBondContact OD1-NZ 3.18Å; D210-K214 IonicContact OD2-NZ 3.6Å; D210-K214 PolarHBondContact OD2-NZ 2.77Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 3.35Å; K214-N216 VanDerWaalsContact C-N 3.34Å; K214-A218 VanDerWaalsContact O-CB 3.29Å; K214-A218 WeakPolarHBondContact O-CB 3.03Å; K214-A218 PolarHBondContact O-N 3.02Å
215W98.9Very high98.7Very high1 Ų147.4 Ų47.40%0.00423%0.229CC..Hα-helixtrans-56.8-49.7169.3169.293.5000110.3V190 F203 C211 L212 R217 A218 I219 A318 M320 L321 L324V190-W215 HydrophobicContact CG2-CB 4.02Å; V190-W215 HydrophobicContact CG2-CG 4.49Å; F203-W215 HydrophobicContact CE1-CB 4.48Å; C211-W215 WeakPolarHBondContact O-CB 3.49Å; C211-W215 PolarHBondContact O-N 3.44Å; L212-W215 PolarHBondContact O-N 2.95Å; W215-R217 PolarHBondContact O-N 3.33Å; W215-A218 PolarHBondContact O-N 2.6Å; W215-I219 HydrophobicContact CD2-CG2 4.18Å; W215-I219 HydrophobicContact CE3-CG2 4.25Å; W215-I219 HydrophobicContact CH2-CG2 3.9Å; W215-I219 HydrophobicContact CZ2-CB 4.46Å; W215-I219 HydrophobicContact CZ2-CG2 3.85Å; W215-I219 HydrophobicContact CZ3-CG2 4.08Å; W215-I219 WeakPolarHBondContact O-CG2 3.44Å; W215-I219 PolarHBondContact O-N 2.97Å; W215-A318 HydrophobicContact CE3-CB 4.27Å; W215-A318 HydrophobicContact CZ3-CB 3.99Å; W215-M320 HydrophobicContact CH2-CB 4.12Å; W215-M320 HydrophobicContact CZ3-CB 4.06Å; W215-L321 HydrophobicContact CH2-CD2 3.74Å; W215-L321 HydrophobicContact CH2-CG 4.04Å; W215-L321 HydrophobicContact CZ2-CD2 4.45Å; W215-L321 HydrophobicContact CZ3-CD2 4.14Å; W215-L321 HydrophobicContact CZ3-CG 4.05Å; W215-L324 HydrophobicContact CH2-CD1 4.32Å; W215-L324 HydrophobicContact CZ2-CD1 4.47Å
216N98.9Very high98.8Very high17 Ų1745.8 Ų45.89%0.09122%0.221CC..Hα-helixtrans-57.9-51.1-178.3-178.380.8000110.9L212 T213 K214 A218 I219 E220 A318 P319 M320L212-N216 WeakPolarHBondContact O-CB 3.36Å; L212-N216 PolarHBondContact O-N 2.86Å; T213-N216 WeakPolarHBondContact O-CB 2.99Å; T213-N216 PolarHBondContact O-N 3.04Å; K214-N216 VanDerWaalsContact C-N 3.34Å; N216-A218 VanDerWaalsContact C-N 3.33Å; N216-A218 PolarHBondContact O-N 3.12Å; N216-I219 WeakPolarHBondContact O-CG2 3.35Å; N216-I219 PolarHBondContact O-N 3.26Å; N216-E220 WeakPolarHBondContact O-CB 3.26Å; N216-E220 PolarHBondContact O-N 2.8Å; N216-A318 HydrophobicContact CB-CB 4.44Å; N216-A318 WeakPolarHBondContact OD1-CA 3.2Å; N216-P319 VanDerWaalsContact OD1-CD 3.28Å; N216-P319 WeakPolarHBondContact OD1-CD 3.32Å; N216-M320 WeakPolarHBondContact OD1-CB 3.19Å; N216-M320 VanDerWaalsContact OD1-CG 3.23Å; N216-M320 WeakPolarHBondContact OD1-CG 3.34Å; N216-M320 PolarHBondContact OD1-N 3.17Å
217R98.8Very high98.8Very high179 Ų17942.6 Ų42.668%0.67520%0.202SC*.Hα-helixtrans-61.6-39.8178.3-175.1176.1177.9172.61.1112.8T213 W215 T221T213-R217 PolarHBondContact O-N 2.81Å; W215-R217 PolarHBondContact O-N 3.33Å; R217-T221 PolarHBondContact O-N 3.23Å; R217-T221 PolarHBondContact O-OG1 3.2Å
218A98.8Very high98.8Very high7 Ų747.2 Ų47.26%0.05822%0.22CC..Hα-helixtrans-67.6-50179.300000111.5V77 F162 K214 W215 N216 E220 T221 M222V77-A218 HydrophobicContact CG2-CB 3.95Å; F162-A218 HydrophobicContact CE1-CB 4.22Å; K214-A218 VanDerWaalsContact O-CB 3.29Å; K214-A218 WeakPolarHBondContact O-CB 3.03Å; K214-A218 PolarHBondContact O-N 3.02Å; W215-A218 PolarHBondContact O-N 2.6Å; N216-A218 VanDerWaalsContact C-N 3.33Å; N216-A218 PolarHBondContact O-N 3.12Å; A218-E220 VanDerWaalsContact C-N 3.35Å; A218-T221 PolarHBondContact O-N 3.45Å; A218-M222 HydrophobicContact CB-CE 4.22Å; A218-M222 WeakPolarHBondContact O-CE 3.45Å; A218-M222 WeakPolarHBondContact O-CG 3.45Å; A218-M222 PolarHBondContact O-N 3.32Å; A218-M222 VanDerWaalsContact O-N 3.14Å
219I98.9Very high98.8Very high2 Ų246.9 Ų46.91%0.0122%0.221CC..Hα-helixtrans-67.9-35.6-179.4-165.659.1000111.7V77 L181 W215 N216 T221 M222 Y223 M320 L324V77-I219 HydrophobicContact CG2-CB 3.98Å; V77-I219 HydrophobicContact CG2-CD1 4.48Å; L181-I219 HydrophobicContact CD1-CD1 4.2Å; W215-I219 HydrophobicContact CD2-CG2 4.18Å; W215-I219 HydrophobicContact CE3-CG2 4.25Å; W215-I219 HydrophobicContact CH2-CG2 3.9Å; W215-I219 HydrophobicContact CZ2-CB 4.46Å; W215-I219 HydrophobicContact CZ2-CG2 3.85Å; W215-I219 HydrophobicContact CZ3-CG2 4.08Å; W215-I219 WeakPolarHBondContact O-CG2 3.44Å; W215-I219 PolarHBondContact O-N 2.97Å; N216-I219 WeakPolarHBondContact O-CG2 3.35Å; N216-I219 PolarHBondContact O-N 3.26Å; I219-T221 PolarHBondContact O-N 3.1Å; I219-M222 HydrophobicContact CD1-CE 4.33Å; I219-M222 PolarHBondContact O-N 2.8Å; I219-Y223 WeakPolarHBondContact O-CB 3.33Å; I219-Y223 PolarHBondContact O-N 2.83Å; I219-M320 HydrophobicContact CG2-CB 3.79Å; I219-M320 HydrophobicContact CG2-CE 4.49Å; I219-M320 HydrophobicContact CG2-CG 3.94Å; I219-L324 HydrophobicContact CG1-CD1 3.86Å; I219-L324 HydrophobicContact CG2-CD1 4.34Å
220E98.9Very high98.8Very high72 Ų7244.3 Ų44.334%0.33622%0.219SC..Hα-helixtrans-57.5-48173.3-178.8173.4-137.100111.4N216 A218 M222 Y223 N224 M320N216-E220 WeakPolarHBondContact O-CB 3.26Å; N216-E220 PolarHBondContact O-N 2.8Å; A218-E220 VanDerWaalsContact C-N 3.35Å; E220-M222 PolarHBondContact O-N 3.4Å; E220-Y223 PolarHBondContact O-N 3.01Å; E220-N224 WeakPolarHBondContact O-CB 3.06Å; E220-N224 PolarHBondContact O-N 3.05Å; E220-N224 PolarHBondContact O-ND2 3.01Å; E220-M320 HydrophobicContact CB-CG 3.8Å; E220-M320 HydrophobicContact CB-SD 3.86Å; E220-M320 HydrophobicContact CG-CG 4.47Å; E220-M320 HydrophobicContact CG-SD 4.03Å
221T98.8Very high98.8Very high44 Ų4451.2 Ų51.227%0.2724%0.243SC..Hα-helixtrans-59.7-46.2177.5-58.30000111.7R217 A218 I219 Q225R217-T221 PolarHBondContact O-N 3.23Å; R217-T221 PolarHBondContact O-OG1 3.2Å; A218-T221 PolarHBondContact O-N 3.45Å; I219-T221 PolarHBondContact O-N 3.1Å; T221-Q225 WeakPolarHBondContact O-CG 3.46Å; T221-Q225 PolarHBondContact O-N 3.32Å
222M98.9Very high98.8Very high0 Ų058 Ų580%027%0.273CS..Hα-helixtrans-71.3-39.4-178.2-67.1-175-78.400112.4V77 F162 L164 K165 L181 A218 I219 E220 C226V77-M222 HydrophobicContact CB-CE 4.37Å; V77-M222 HydrophobicContact CG2-CE 3.48Å; V77-M222 VanDerWaalsContact CG2-CE 3.48Å; F162-M222 HydrophobicContact CD1-CE 4.39Å; F162-M222 HydrophobicContact CD1-SD 4.48Å; F162-M222 HydrophobicContact CE1-CE 4.41Å; L164-M222 HydrophobicContact CB-CG 4.25Å; L164-M222 HydrophobicContact CB-SD 4Å; K165-M222 HydrophobicContact CG-CG 4.09Å; K165-M222 HydrophobicContact CG-SD 4.33Å; L181-M222 HydrophobicContact CD1-CB 3.83Å; L181-M222 HydrophobicContact CD1-SD 4.36Å; L181-M222 HydrophobicContact CD2-CB 4.23Å; A218-M222 HydrophobicContact CB-CE 4.22Å; A218-M222 WeakPolarHBondContact O-CE 3.45Å; A218-M222 WeakPolarHBondContact O-CG 3.45Å; A218-M222 PolarHBondContact O-N 3.32Å; A218-M222 VanDerWaalsContact O-N 3.14Å; I219-M222 HydrophobicContact CD1-CE 4.33Å; I219-M222 PolarHBondContact O-N 2.8Å; E220-M222 PolarHBondContact O-N 3.4Å; M222-C226 WeakPolarHBondContact O-CB 3.38Å; M222-C226 PolarHBondContact O-N 2.76Å
223Y98.9Very high98.8Very high56 Ų5660.5 Ų60.522%0.2228%0.284CS..Hα-helixtrans-61.6-49.4176.1174.2-96.2000111I219 E220 Q225 C226 M227 L236 M320 L324I219-Y223 WeakPolarHBondContact O-CB 3.33Å; I219-Y223 PolarHBondContact O-N 2.83Å; E220-Y223 PolarHBondContact O-N 3.01Å; Y223-Q225 VanDerWaalsContact C-N 3.33Å; Y223-Q225 PolarHBondContact O-N 2.76Å; Y223-C226 WeakPolarHBondContact O-CB 3.35Å; Y223-C226 PolarHBondContact O-N 3.29Å; Y223-C226 VanDerWaalsContact O-N 3.11Å; Y223-M227 HydrophobicContact CD1-CG 4.22Å; Y223-M227 HydrophobicContact CD2-CE 4.5Å; Y223-M227 HydrophobicContact CE1-CG 3.75Å; Y223-M227 HydrophobicContact CE2-CE 4.05Å; Y223-M227 HydrophobicContact CE2-CG 4.07Å; Y223-M227 HydrophobicContact CE2-SD 4.17Å; Y223-M227 WeakPolarHBondContact O-CG 3.38Å; Y223-M227 PolarHBondContact O-N 3.13Å; Y223-L236 HydrophobicContact CD2-CD1 4.46Å; Y223-L236 HydrophobicContact CD2-CD2 3.84Å; Y223-L236 HydrophobicContact CE2-CD2 3.69Å; Y223-M320 HydrophobicContact CD1-CE 3.88Å; Y223-M320 HydrophobicContact CD2-CE 4.48Å; Y223-M320 HydrophobicContact CG-CE 3.8Å; Y223-L324 HydrophobicContact CD2-CD2 3.66Å; Y223-L324 HydrophobicContact CE2-CD2 3.91Å; Y223-L324 HydrophobicContact CG-CD2 4.39Å
224N98.9Very high98.8Very high85 Ų8557.7 Ų57.746%0.45527%0.267SS..Hα-helixtrans-59.9-43.3-179.9-70.6-16.4000111.6E220 M227 E228E220-N224 WeakPolarHBondContact O-CB 3.06Å; E220-N224 PolarHBondContact O-N 3.05Å; E220-N224 PolarHBondContact O-ND2 3.01Å; N224-M227 PolarHBondContact O-N 2.94Å; N224-E228 WeakPolarHBondContact O-CB 3.38Å; N224-E228 PolarHBondContact O-N 3.15Å
225Q98.9Very high98.8Very high28 Ų2855.8 Ų55.813%0.13126%0.259CS..Hα-helixtrans-66.9-35.9175.8-70.1-177.746.400112.7K165 L167 T168 T221 Y223 M227 E228 V229K165-Q225 PolarHBondContact O-NE2 3.4Å; K165-Q225 PolarHBondContact O-OE1 3.06Å; L167-Q225 HydrophobicContact CB-CB 3.96Å; L167-Q225 HydrophobicContact CD2-CB 4.37Å; T168-Q225 WeakPolarHBondContact OG1-CB 2.92Å; T168-Q225 WeakPolarHBondContact OG1-CG 3.46Å; T221-Q225 WeakPolarHBondContact O-CG 3.46Å; T221-Q225 PolarHBondContact O-N 3.32Å; Y223-Q225 VanDerWaalsContact C-N 3.33Å; Y223-Q225 PolarHBondContact O-N 2.76Å; Q225-M227 VanDerWaalsContact C-N 3.34Å; Q225-E228 WeakPolarHBondContact O-CB 3.48Å; Q225-E228 PolarHBondContact O-N 3.37Å; Q225-V229 PolarHBondContact O-N 3.14Å; Q225-V229 VanDerWaalsContact O-N 3.13Å
226C98.9Very high98.8Very high0 Ų057.4 Ų57.40%027%0.268CS..Hα-helixtrans-63.8-41.1174.8-176.30000111.6L167 L181 M222 Y223 V229 G230 C234 L236L167-C226 HydrophobicContact CD1-CB 3.93Å; L181-C226 HydrophobicContact CD2-CB 3.81Å; M222-C226 WeakPolarHBondContact O-CB 3.38Å; M222-C226 PolarHBondContact O-N 2.76Å; Y223-C226 WeakPolarHBondContact O-CB 3.35Å; Y223-C226 PolarHBondContact O-N 3.29Å; Y223-C226 VanDerWaalsContact O-N 3.11Å; C226-V229 WeakPolarHBondContact O-CG2 3.38Å; C226-G230 PolarHBondContact O-N 3.35Å; C226-C234 VanDerWaalsContact CA-SG 3.57Å; C226-C234 HydrophobicContact CB-CB 3.92Å; C226-C234 WeakPolarHBondContact CB-SG 3.47Å; C226-C234 WeakPolarHBondContact SG-CB 3.32Å; C226-C234 CovalentContact SG-SG 2.02Å; C226-C234 PolarHBondContact SG-SG 3.29Å; C226-L236 HydrophobicContact CB-CD1 4.31Å; C226-L236 WeakPolarHBondContact SG-CD1 3.3Å
227M98.8Very high98.8Very high89 Ų8956.7 Ų56.744%0.43826%0.264SS..Hα-helixtrans-66.6-40.4174.1-65.6-58.6101.300111.7Y223 N224 Q225 V229 G230 L236Y223-M227 HydrophobicContact CD1-CG 4.22Å; Y223-M227 HydrophobicContact CD2-CE 4.5Å; Y223-M227 HydrophobicContact CE1-CG 3.75Å; Y223-M227 HydrophobicContact CE2-CE 4.05Å; Y223-M227 HydrophobicContact CE2-CG 4.07Å; Y223-M227 HydrophobicContact CE2-SD 4.17Å; Y223-M227 WeakPolarHBondContact O-CG 3.38Å; Y223-M227 PolarHBondContact O-N 3.13Å; N224-M227 PolarHBondContact O-N 2.94Å; Q225-M227 VanDerWaalsContact C-N 3.34Å; M227-V229 PolarHBondContact O-N 3.2Å; M227-G230 PolarHBondContact O-N 2.67Å; M227-G230 VanDerWaalsContact O-N 3.09Å; M227-L236 HydrophobicContact CE-CD1 3.37Å
228E98.8Very high98.8Very high133 Ų13350.1 Ų50.162%0.62124%0.241SC*.Hα-helixtrans-58.8-44.9179.5-175.9-176-169.300112.5T168 N224 Q225 G230T168-E228 HydrophobicContact CG2-CG 4.47Å; T168-E228 WeakPolarHBondContact CG2-OE2 3.39Å; T168-E228 PolarHBondContact OG1-OE2 2.66Å; N224-E228 WeakPolarHBondContact O-CB 3.38Å; N224-E228 PolarHBondContact O-N 3.15Å; Q225-E228 WeakPolarHBondContact O-CB 3.48Å; Q225-E228 PolarHBondContact O-N 3.37Å; E228-G230 PolarHBondContact O-N 3.27Å
229V98.8Very high98.8Very high25 Ų2550.6 Ų50.615%0.15224%0.241CC..Hα-helixtrans-76.4-12.2177.7-580000113.6L167 Q225 C226 M227 K233 C234L167-V229 HydrophobicContact CD2-CB 4.17Å; L167-V229 HydrophobicContact CD2-CG1 3.55Å; L167-V229 HydrophobicContact CD2-CG2 3.51Å; Q225-V229 PolarHBondContact O-N 3.14Å; Q225-V229 VanDerWaalsContact O-N 3.13Å; C226-V229 WeakPolarHBondContact O-CG2 3.38Å; M227-V229 PolarHBondContact O-N 3.2Å; V229-K233 HydrophobicContact CB-CB 4.01Å; V229-K233 HydrophobicContact CB-CD 4.22Å; V229-K233 HydrophobicContact CG2-CB 3.84Å; V229-C234 HydrophobicContact CG2-CB 3.51Å
230G98.6Very high98.8Very high25 Ų2550.5 Ų50.526%0.25824%0.241SC..  trans78.1164.9175.600000115.7C226 M227 E228 K232 K233 C234C226-G230 PolarHBondContact O-N 3.35Å; M227-G230 PolarHBondContact O-N 2.67Å; M227-G230 VanDerWaalsContact O-N 3.09Å; E228-G230 PolarHBondContact O-N 3.27Å; G230-K232 PolarHBondContact O-N 3.45Å; G230-K233 PolarHBondContact O-N 2.85Å; G230-C234 PolarHBondContact O-N 3.34Å
231Y98.3Very high98.8Very high183 Ų18349.6 Ų49.672%0.71824%0.237SC*.THydrogen-bonded Turntrans-62.8-15.3-172.274.3-88.4000115.2F256Y231-F256 VanDerWaalsContact O-CE2 3.27Å; Y231-F256 WeakPolarHBondContact O-CE2 3.29Å
232K98.6Very high98.8Very high142 Ų14247.5 Ų47.562%0.61722%0.224SC*.THydrogen-bonded Turntrans-80.8-21175.8-65.9-174.7-179.8178.40112.7K178 G230K178-K232 PolarHBondContact NZ-O 3.08Å; G230-K232 PolarHBondContact O-N 3.45Å
233K98.8Very high98.8Very high53 Ų5347.5 Ų47.523%0.2322%0.224CC..THydrogen-bonded Turntrans-113-34.3-176.1-76178.7159.2-73.60112.6S171 P175 K178 F179 V229 G230S171-K233 WeakPolarHBondContact OG-CD 3.36Å; S171-K233 PolarHBondContact OG-NZ 3.14Å; P175-K233 PolarHBondContact O-NZ 2.88Å; K178-K233 CarbonylContact C-O 3.59Å; K178-K233 VanDerWaalsContact CA-O 3.32Å; K178-K233 WeakPolarHBondContact CA-O 3.34Å; F179-K233 WeakPolarHBondContact CD2-O 3.41Å; F179-K233 PolarHBondContact N-O 3.4Å; V229-K233 HydrophobicContact CB-CB 4.01Å; V229-K233 HydrophobicContact CB-CD 4.22Å; V229-K233 HydrophobicContact CG2-CB 3.84Å; G230-K233 PolarHBondContact O-N 2.85Å
234C98.9Very high98.8Very high4 Ų444.9 Ų44.93%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-125.5136.5177.6-171.90000112.2F179 C226 V229 G230F179-C234 HydrophobicContact CB-CB 3.98Å; F179-C234 WeakPolarHBondContact O-CA 3.44Å; C226-C234 VanDerWaalsContact CA-SG 3.57Å; C226-C234 HydrophobicContact CB-CB 3.92Å; C226-C234 WeakPolarHBondContact CB-SG 3.47Å; C226-C234 WeakPolarHBondContact SG-CB 3.32Å; C226-C234 CovalentContact SG-SG 2.02Å; C226-C234 PolarHBondContact SG-SG 3.29Å; V229-C234 HydrophobicContact CG2-CB 3.51Å; G230-C234 PolarHBondContact O-N 3.34Å
235M98.9Very high98.8Very high26 Ų2641.9 Ų41.913%0.12820%0.196CC..EExtended strand (participates in β ladder)trans-120.6129.9175179.8178.5176.800109.7F179 L180 L181 V237 W249 T252 L253 F256F179-M235 PolarHBondContact O-N 2.89Å; L180-M235 HydrophobicContact CD2-CB 4.12Å; L181-M235 PolarHBondContact N-O 3.22Å; M235-V237 HydrophobicContact CG-CG2 4.31Å; M235-W249 HydrophobicContact CE-CE3 3.85Å; M235-W249 HydrophobicContact CE-CZ3 3.76Å; M235-T252 HydrophobicContact CE-CG2 3.64Å; M235-L253 HydrophobicContact SD-CB 4.4Å; M235-F256 HydrophobicContact CB-CD1 3.89Å; M235-F256 HydrophobicContact CB-CD2 4.2Å; M235-F256 HydrophobicContact CB-CE1 3.73Å; M235-F256 HydrophobicContact CB-CE2 4.05Å; M235-F256 HydrophobicContact CB-CG 4.12Å; M235-F256 HydrophobicContact CB-CZ 3.81Å; M235-F256 HydrophobicContact SD-CB 3.93Å; M235-F256 HydrophobicContact SD-CD1 4.04Å; M235-F256 HydrophobicContact SD-CG 3.96Å
236L98.9Very high98.8Very high36 Ų3641 Ų4119%0.18819%0.193CC..EExtended strand (participates in β ladder)trans-76.4132.4167.9-90.965.9000109.4L181 V183 Y223 C226 M227 L324L181-L236 HydrophobicContact CD2-CD1 4.33Å; V183-L236 HydrophobicContact CG2-CB 4.47Å; V183-L236 HydrophobicContact CG2-CD2 4.12Å; V183-L236 HydrophobicContact CG2-CG 3.95Å; Y223-L236 HydrophobicContact CD2-CD1 4.46Å; Y223-L236 HydrophobicContact CD2-CD2 3.84Å; Y223-L236 HydrophobicContact CE2-CD2 3.69Å; C226-L236 HydrophobicContact CB-CD1 4.31Å; C226-L236 WeakPolarHBondContact SG-CD1 3.3Å; M227-L236 HydrophobicContact CE-CD1 3.37Å; L236-L324 HydrophobicContact CD2-CD2 4.22Å
237V98.9Very high98.8Very high1 Ų144.7 Ų44.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-124.6106176.4-175.40000108.3M85 L180 L181 M182 V183 M235 Y239 L242 L253M85-V237 HydrophobicContact SD-CG1 4.21Å; L180-V237 HydrophobicContact CD2-CG2 4.35Å; L181-V237 PolarHBondContact O-N 2.97Å; M182-V237 WeakPolarHBondContact CA-O 3.46Å; M182-V237 HydrophobicContact CE-CB 4.28Å; M182-V237 HydrophobicContact CE-CG1 3.95Å; M182-V237 HydrophobicContact SD-CB 3.73Å; M182-V237 HydrophobicContact SD-CG1 3.87Å; V183-V237 PolarHBondContact N-O 2.97Å; M235-V237 HydrophobicContact CG-CG2 4.31Å; V237-Y239 PolarHBondContact O-N 3.09Å; V237-L242 HydrophobicContact CG1-CB 4.33Å; V237-L242 HydrophobicContact CG1-CD2 4.36Å; V237-L253 HydrophobicContact CG2-CD1 4.11Å
238H98.9Very high98.8Very high41 Ų4147.6 Ų47.619%0.1922%0.217CC..EExtended strand (participates in β ladder)trans-73.9118.7175.7-72.3-102.3000109.4V183 E240 Q241 L242 L324 Y326V183-H238 CarbonylContact O-C 3.56Å; V183-H238 WeakPolarHBondContact O-CA 3.2Å; H238-E240 PolarHBondContact O-N 3.45Å; H238-Q241 HydrophobicContact CB-CB 3.99Å; H238-Q241 HydrophobicContact CB-CG 3.71Å; H238-Q241 PolarHBondContact O-N 3.26Å; H238-Q241 VanDerWaalsContact O-N 3.12Å; H238-L242 PolarHBondContact O-N 3.49Å; H238-L324 PolarHBondContact CE1-O 2.75Å; H238-L324 VanDerWaalsContact CE1-O 3.27Å; H238-Y326 AromaticContact ND1-CZ 3.69Å; H238-Y326 PolarHBondContact ND1-OH 2.95Å
239Y98.9Very high98.8Very high17 Ų1743.7 Ų43.77%0.06720%0.196CC..Hα-helixtrans-52.8-45-179.8163.2-99.4000111.5L84 V183 R184 V237 Q241 L242 V243 L299L84-Y239 HydrophobicContact CD2-CE2 4.24Å; V183-Y239 PolarHBondContact O-N 3.16Å; R184-Y239 HydrophobicContact CG-CD1 3.71Å; R184-Y239 HydrophobicContact CG-CG 4.06Å; R184-Y239 VanDerWaalsContact NE-CE1 3.34Å; V237-Y239 PolarHBondContact O-N 3.09Å; Y239-Q241 VanDerWaalsContact C-N 3.31Å; Y239-Q241 PolarHBondContact O-N 3.33Å; Y239-L242 WeakPolarHBondContact O-CB 3.48Å; Y239-L242 PolarHBondContact O-N 3.02Å; Y239-V243 HydrophobicContact CD2-CG1 3.96Å; Y239-V243 HydrophobicContact CE1-CG1 4.43Å; Y239-V243 HydrophobicContact CE1-CG2 4.22Å; Y239-V243 HydrophobicContact CE2-CG1 3.4Å; Y239-V243 WeakPolarHBondContact O-CG2 3.33Å; Y239-V243 PolarHBondContact O-N 2.92Å; Y239-L299 HydrophobicContact CE1-CD2 4.15Å
240E98.9Very high98.8Very high1 Ų142.5 Ų42.51%0.00519%0.189CC..Hα-helixtrans-62.3-43.9-178-60.479.3-174.200110.2R184 D185 H238 V243 L244 L299 Y326 Y335R184-E240 WeakPolarHBondContact CG-OE1 3.38Å; D185-E240 PolarHBondContact N-OE1 3.38Å; H238-E240 PolarHBondContact O-N 3.45Å; E240-V243 WeakPolarHBondContact O-CG2 3.39Å; E240-V243 PolarHBondContact O-N 2.94Å; E240-L244 VanDerWaalsContact O-CB 3.27Å; E240-L244 WeakPolarHBondContact O-CB 3.42Å; E240-L244 WeakPolarHBondContact O-CD1 3.48Å; E240-L244 WeakPolarHBondContact O-CG 3.41Å; E240-L244 PolarHBondContact O-N 2.97Å; E240-L299 HydrophobicContact CB-CD2 3.78Å; E240-L299 HydrophobicContact CG-CD2 3.71Å; E240-Y326 PolarHBondContact OE2-OH 3.48Å; E240-Y335 HydrophobicContact CB-CD1 4.19Å; E240-Y335 HydrophobicContact CB-CG 4.17Å; E240-Y335 HydrophobicContact CG-CD1 3.71Å; E240-Y335 HydrophobicContact CG-CD2 4.4Å; E240-Y335 HydrophobicContact CG-CE1 4.05Å; E240-Y335 HydrophobicContact CG-CG 3.9Å
241Q98.9Very high98.8Very high53 Ų5346.5 Ų46.525%0.24820%0.196CC..Hα-helixtrans-69.1-37.2177.9-57.2-57.1-47.100112H238 Y239 L244 H245 W249 Y335H238-Q241 HydrophobicContact CB-CB 3.99Å; H238-Q241 HydrophobicContact CB-CG 3.71Å; H238-Q241 PolarHBondContact O-N 3.26Å; H238-Q241 VanDerWaalsContact O-N 3.12Å; Y239-Q241 VanDerWaalsContact C-N 3.31Å; Y239-Q241 PolarHBondContact O-N 3.33Å; Q241-L244 PolarHBondContact O-N 3.05Å; Q241-H245 PolarHBondContact O-N 3.29Å; Q241-W249 VanDerWaalsContact C-CD1 3.48Å; Q241-W249 HydrophobicContact CB-CD2 4.45Å; Q241-W249 VanDerWaalsContact CB-CE2 3.47Å; Q241-W249 HydrophobicContact CB-CZ2 3.58Å; Q241-W249 HydrophobicContact CG-CZ2 4.07Å; Q241-W249 PolarHBondContact O-NE1 2.97Å; Q241-Y335 PolarHBondContact NE2-O 3.44Å
242L98.8Very high98.8Very high0 Ų041.1 Ų41.10%018%0.182CC..Hα-helixtrans-61.7-45.4174176.864.7000111.5M85 M88 M182 V237 H238 Y239 P246 W249 M250M85-L242 HydrophobicContact SD-CD2 4.04Å; M88-L242 HydrophobicContact CE-CD1 4.15Å; M88-L242 HydrophobicContact SD-CD1 4.09Å; M88-L242 HydrophobicContact SD-CD2 4.22Å; M88-L242 HydrophobicContact SD-CG 4.32Å; M182-L242 HydrophobicContact CE-CD2 4Å; V237-L242 HydrophobicContact CG1-CB 4.33Å; V237-L242 HydrophobicContact CG1-CD2 4.36Å; H238-L242 PolarHBondContact O-N 3.49Å; Y239-L242 WeakPolarHBondContact O-CB 3.48Å; Y239-L242 PolarHBondContact O-N 3.02Å; L242-P246 WeakPolarHBondContact O-CA 3.29Å; L242-P246 WeakPolarHBondContact O-CB 3.42Å; L242-P246 WeakPolarHBondContact O-CD 3.37Å; L242-P246 VanDerWaalsContact O-N 3.14Å; L242-W249 HydrophobicContact CD1-CB 3.95Å; L242-M250 HydrophobicContact CD1-SD 4.07Å
243V98.7Very high98.8Very high0 Ų034.4 Ų34.40%015%0.153CC..Hα-helixtrans-78.3-27-179.4-59.10000113.1L84 Y239 E240 V294 V296 L299 I342L84-V243 HydrophobicContact CD2-CG1 3.76Å; Y239-V243 HydrophobicContact CD2-CG1 3.96Å; Y239-V243 HydrophobicContact CE1-CG1 4.43Å; Y239-V243 HydrophobicContact CE1-CG2 4.22Å; Y239-V243 HydrophobicContact CE2-CG1 3.4Å; Y239-V243 WeakPolarHBondContact O-CG2 3.33Å; Y239-V243 PolarHBondContact O-N 2.92Å; E240-V243 WeakPolarHBondContact O-CG2 3.39Å; E240-V243 PolarHBondContact O-N 2.94Å; V243-V294 HydrophobicContact CB-CG1 4.04Å; V243-V294 HydrophobicContact CG1-CG1 4.18Å; V243-V296 HydrophobicContact CG2-CG1 4.23Å; V243-L299 HydrophobicContact CG2-CD2 3.49Å; V243-L299 VanDerWaalsContact CG2-CD2 3.49Å; V243-L299 HydrophobicContact CG2-CG 4.17Å; V243-I342 WeakPolarHBondContact O-CG2 3.18Å
244L98.8Very high98.8Very high1 Ų132 Ų321%0.00514%0.143CC..Hα-helixtrans-73.7-39.9174.3-71.1166.3000111.8E240 Q241 V296 L299 Y335 P338 D339E240-L244 VanDerWaalsContact O-CB 3.27Å; E240-L244 WeakPolarHBondContact O-CB 3.42Å; E240-L244 WeakPolarHBondContact O-CD1 3.48Å; E240-L244 WeakPolarHBondContact O-CG 3.41Å; E240-L244 PolarHBondContact O-N 2.97Å; Q241-L244 PolarHBondContact O-N 3.05Å; L244-V296 HydrophobicContact CD2-CG1 4.01Å; L244-L299 HydrophobicContact CD2-CD1 3.88Å; L244-L299 HydrophobicContact CG-CD1 4.25Å; L244-Y335 WeakPolarHBondContact CD1-O 3.38Å; L244-P338 HydrophobicContact CD2-CB 3.81Å; L244-P338 HydrophobicContact CD2-CG 4.27Å; L244-D339 PolarHBondContact O-N 3.03Å
245H98.8Very high98.8Very high21 Ų2139.8 Ų39.810%0.09718%0.176CC..SBendtrans-135.858.6-170.5-51.5-64.4000113.2Q241 E247 R248 W249 K337 D339Q241-H245 PolarHBondContact O-N 3.29Å; H245-E247 PolarHBondContact O-N 3.38Å; H245-R248 HydrophobicContact CB-CB 4.21Å; H245-R248 PolarHBondContact O-N 2.99Å; H245-W249 PolarHBondContact O-N 2.92Å; H245-K337 PolarHBondContact CE1-O 3.39Å; H245-D339 WeakPolarHBondContact CA-OD2 3.35Å; H245-D339 IonicContact CE1-OD1 3.85Å; H245-D339 IonicContact CG-OD1 2.71Å; H245-D339 IonicContact ND1-OD1 3.22Å; H245-D339 PolarHBondContact ND1-OD1 3.09Å; H245-D339 IonicContact ND1-OD2 2.93Å
246P98.8Very high98.8Very high9 Ų940 Ų406%0.05818%0.176CC..Hα-helixtrans-63-38.6-168.321.7-31.2000113.5M88 L242 R248 W249 M250 L266 V294 I342M88-P246 HydrophobicContact CE-CB 3.93Å; L242-P246 WeakPolarHBondContact O-CA 3.29Å; L242-P246 WeakPolarHBondContact O-CB 3.42Å; L242-P246 WeakPolarHBondContact O-CD 3.37Å; L242-P246 VanDerWaalsContact O-N 3.14Å; P246-R248 PolarHBondContact O-N 3.47Å; P246-W249 PolarHBondContact O-N 3.43Å; P246-M250 VanDerWaalsContact O-CB 3.29Å; P246-M250 WeakPolarHBondContact O-CB 3.37Å; P246-M250 VanDerWaalsContact O-CG 3.22Å; P246-M250 WeakPolarHBondContact O-CG 3.45Å; P246-M250 PolarHBondContact O-N 2.97Å; P246-L266 HydrophobicContact CB-CD2 4.05Å; P246-V294 HydrophobicContact CB-CG1 4.39Å; P246-V294 HydrophobicContact CG-CG1 4.18Å; P246-I342 HydrophobicContact CG-CD1 3.43Å; P246-I342 VanDerWaalsContact CG-CD1 3.43Å; P246-I342 HydrophobicContact CG-CG1 3.98Å
247E98.8Very high98.8Very high79 Ų7938.9 Ų38.937%0.36917%0.171SC..Hα-helixtrans-61.8-46178.5-177.2169.3176.300112H245 W249 R251 W261 L266H245-E247 PolarHBondContact O-N 3.38Å; E247-W249 PolarHBondContact O-N 3.29Å; E247-R251 HydrophobicContact CG-CG 4.41Å; E247-R251 WeakPolarHBondContact O-CB 3.46Å; E247-R251 VanDerWaalsContact O-CG 3.26Å; E247-R251 WeakPolarHBondContact O-CG 3.3Å; E247-R251 PolarHBondContact O-N 3.03Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 VanDerWaalsContact OE1-CZ 3.28Å; E247-R251 IonicContact OE1-NE 2.75Å; E247-R251 PolarHBondContact OE1-NE 3.4Å; E247-R251 IonicContact OE1-NH2 3.72Å; E247-R251 PolarHBondContact OE1-NH2 2.86Å; E247-W261 HydrophobicContact CG-CH2 4.16Å; E247-W261 HydrophobicContact CG-CZ2 4.37Å; E247-L266 HydrophobicContact CB-CD1 3.85Å; E247-L266 HydrophobicContact CB-CD2 4.34Å; E247-L266 HydrophobicContact CG-CD1 4.03Å
248R98.7Very high98.8Very high150 Ų15045.8 Ų45.857%0.56620%0.203SC*.Hα-helixtrans-58.2-48.7177.9-177.9-171.6-64.4170.52.2111.2H245 P246 T252H245-R248 HydrophobicContact CB-CB 4.21Å; H245-R248 PolarHBondContact O-N 2.99Å; P246-R248 PolarHBondContact O-N 3.47Å; R248-T252 PolarHBondContact O-N 3.13Å; R248-T252 VanDerWaalsContact O-N 3.08Å; R248-T252 PolarHBondContact O-OG1 2.74Å
249W98.8Very high98.8Very high50 Ų5044.3 Ų44.319%0.18920%0.196CC..Hα-helixtrans-71.7-40.3-176.7-78.295.3000112.6M235 Q241 L242 H245 P246 E247 R251 T252 L253M235-W249 HydrophobicContact CE-CE3 3.85Å; M235-W249 HydrophobicContact CE-CZ3 3.76Å; Q241-W249 VanDerWaalsContact C-CD1 3.48Å; Q241-W249 HydrophobicContact CB-CD2 4.45Å; Q241-W249 VanDerWaalsContact CB-CE2 3.47Å; Q241-W249 HydrophobicContact CB-CZ2 3.58Å; Q241-W249 HydrophobicContact CG-CZ2 4.07Å; Q241-W249 PolarHBondContact O-NE1 2.97Å; L242-W249 HydrophobicContact CD1-CB 3.95Å; H245-W249 PolarHBondContact O-N 2.92Å; P246-W249 PolarHBondContact O-N 3.43Å; E247-W249 PolarHBondContact O-N 3.29Å; W249-R251 PolarHBondContact O-N 3.41Å; W249-T252 PolarHBondContact O-N 3.01Å; W249-L253 WeakPolarHBondContact O-CB 3.33Å; W249-L253 PolarHBondContact O-N 3.33Å
250M98.9Very high98.8Very high0 Ų047.4 Ų47.40%022%0.218CC..Hα-helixtrans-65.1-38.2175.8-68.9-48.4-65.400112.1M85 M88 L89 L242 P246 L253 L254 W261 V265 L266M85-M250 HydrophobicContact CE-CE 3.78Å; M85-M250 HydrophobicContact CE-SD 3.61Å; M88-M250 HydrophobicContact CB-CE 4.02Å; M88-M250 HydrophobicContact CB-SD 4.19Å; M88-M250 HydrophobicContact CE-CG 3.41Å; M88-M250 VanDerWaalsContact CE-CG 3.41Å; M88-M250 HydrophobicContact CE-SD 3.66Å; M88-M250 HydrophobicContact SD-SD 4.25Å; L89-M250 HydrophobicContact CD2-CE 3.7Å; L242-M250 HydrophobicContact CD1-SD 4.07Å; P246-M250 VanDerWaalsContact O-CB 3.29Å; P246-M250 WeakPolarHBondContact O-CB 3.37Å; P246-M250 VanDerWaalsContact O-CG 3.22Å; P246-M250 WeakPolarHBondContact O-CG 3.45Å; P246-M250 PolarHBondContact O-N 2.97Å; M250-L253 HydrophobicContact CE-CD2 4.48Å; M250-L253 PolarHBondContact O-N 2.78Å; M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 WeakPolarHBondContact O-CG 3.43Å; M250-L254 PolarHBondContact O-N 3.14Å; M250-W261 HydrophobicContact CB-CH2 4.2Å; M250-W261 HydrophobicContact CB-CZ3 3.71Å; M250-V265 HydrophobicContact CB-CG2 3.84Å; M250-V265 HydrophobicContact CE-CB 3.88Å; M250-V265 HydrophobicContact CE-CG1 4.31Å; M250-V265 HydrophobicContact CE-CG2 4.13Å; M250-V265 HydrophobicContact CG-CG2 4.02Å; M250-L266 HydrophobicContact CB-CD2 4.4Å; M250-L266 HydrophobicContact CG-CD2 4.15Å
251R98.8Very high98.8Very high110 Ų11051.1 Ų51.142%0.41523%0.232SC..Hα-helixtrans-62-45.7172.8-74.7-179.3-178.4-71.10.9111.9E247 W249 L253 K255 W261E247-R251 HydrophobicContact CG-CG 4.41Å; E247-R251 WeakPolarHBondContact O-CB 3.46Å; E247-R251 VanDerWaalsContact O-CG 3.26Å; E247-R251 WeakPolarHBondContact O-CG 3.3Å; E247-R251 PolarHBondContact O-N 3.03Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 VanDerWaalsContact OE1-CZ 3.28Å; E247-R251 IonicContact OE1-NE 2.75Å; E247-R251 PolarHBondContact OE1-NE 3.4Å; E247-R251 IonicContact OE1-NH2 3.72Å; E247-R251 PolarHBondContact OE1-NH2 2.86Å; W249-R251 PolarHBondContact O-N 3.41Å; R251-L253 VanDerWaalsContact C-N 3.34Å; R251-K255 VanDerWaalsContact O-CB 3.32Å; R251-K255 WeakPolarHBondContact O-CB 3.4Å; R251-K255 PolarHBondContact O-N 3.46Å; R251-K255 VanDerWaalsContact O-N 3.09Å; R251-W261 HydrophobicContact CB-CE3 4.35Å; R251-W261 HydrophobicContact CB-CZ3 4.33Å; R251-W261 HydrophobicContact CG-CD2 4.05Å; R251-W261 HydrophobicContact CG-CE3 3.5Å; R251-W261 VanDerWaalsContact CG-CE3 3.5Å; R251-W261 HydrophobicContact CG-CH2 4Å; R251-W261 HydrophobicContact CG-CZ2 4.47Å; R251-W261 HydrophobicContact CG-CZ3 3.48Å; R251-W261 VanDerWaalsContact CG-CZ3 3.48Å
252T98.9Very high98.8Very high69 Ų6951.2 Ų51.242%0.42323%0.234SC..Hα-helixtrans-62.7-43.5178.4-55.30000111.1M235 R248 W249 K255 F256M235-T252 HydrophobicContact CE-CG2 3.64Å; R248-T252 PolarHBondContact O-N 3.13Å; R248-T252 VanDerWaalsContact O-N 3.08Å; R248-T252 PolarHBondContact O-OG1 2.74Å; W249-T252 PolarHBondContact O-N 3.01Å; T252-K255 PolarHBondContact O-N 3.49Å; T252-F256 WeakPolarHBondContact O-CB 3.37Å; T252-F256 PolarHBondContact O-N 3.3Å
253L98.8Very high98.8Very high1 Ų155.2 Ų55.21%0.00525%0.253CS..Hα-helixtrans-69-47.9-178-176.7155.8000112.1M85 L89 L180 M235 V237 W249 M250 R251 K255 F256 L257M85-L253 HydrophobicContact CE-CD1 3.37Å; M85-L253 HydrophobicContact CE-CD2 4.28Å; M85-L253 HydrophobicContact CE-CG 4.47Å; M85-L253 HydrophobicContact SD-CD1 3.49Å; M85-L253 WeakPolarHBondContact SD-CD1 3.48Å; L89-L253 HydrophobicContact CD2-CD2 3.75Å; L180-L253 HydrophobicContact CD1-CD1 3.78Å; L180-L253 HydrophobicContact CD1-CD2 4.05Å; L180-L253 HydrophobicContact CD1-CG 4.08Å; L180-L253 HydrophobicContact CD2-CD1 3.91Å; L180-L253 HydrophobicContact CD2-CG 3.89Å; L180-L253 HydrophobicContact CG-CD1 4.44Å; M235-L253 HydrophobicContact SD-CB 4.4Å; V237-L253 HydrophobicContact CG2-CD1 4.11Å; W249-L253 WeakPolarHBondContact O-CB 3.33Å; W249-L253 PolarHBondContact O-N 3.33Å; M250-L253 HydrophobicContact CE-CD2 4.48Å; M250-L253 PolarHBondContact O-N 2.78Å; R251-L253 VanDerWaalsContact C-N 3.34Å; L253-K255 VanDerWaalsContact C-N 3.27Å; L253-K255 PolarHBondContact O-N 2.73Å; L253-F256 CarbonylContact O-C 3.47Å; L253-F256 WeakPolarHBondContact O-CA 3.47Å; L253-F256 WeakPolarHBondContact O-CB 3.44Å; L253-F256 PolarHBondContact O-N 3.35Å; L253-F256 VanDerWaalsContact O-N 3.08Å; L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 4.05Å; L253-L257 WeakPolarHBondContact O-CG 3.19Å; L253-L257 PolarHBondContact O-N 3.22Å
254L98.9Very high98.8Very high2 Ų256.2 Ų56.21%0.0126%0.26CS..Hα-helixtrans-63.7-35.9177.5-71.1174.5000111.3L89 I95 M250 L257 H258 I259 W261 V265L89-L254 HydrophobicContact CD2-CD2 4.15Å; I95-L254 HydrophobicContact CD1-CD2 3.97Å; M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 WeakPolarHBondContact O-CG 3.43Å; M250-L254 PolarHBondContact O-N 3.14Å; L254-L257 CarbonylContact O-C 3.45Å; L254-L257 PolarHBondContact O-N 3.33Å; L254-H258 PolarHBondContact O-N 3.31Å; L254-I259 CarbonylContact C-O 3.58Å; L254-I259 HydrophobicContact CD2-CB 4.05Å; L254-I259 HydrophobicContact CD2-CG2 4.13Å; L254-I259 PolarHBondContact O-N 3.04Å; L254-W261 HydrophobicContact CD1-CE3 3.78Å; L254-W261 HydrophobicContact CD1-CZ3 4.19Å; L254-V265 HydrophobicContact CD1-CG1 4.23Å
255K98.9Very high98.7Very high168 Ų16856.2 Ų56.273%0.7326%0.26SS*.Hα-helixtrans-61.6-45.2169.9-174.8178-179.5179.10112.1R251 T252 L253 L257 H258R251-K255 VanDerWaalsContact O-CB 3.32Å; R251-K255 WeakPolarHBondContact O-CB 3.4Å; R251-K255 PolarHBondContact O-N 3.46Å; R251-K255 VanDerWaalsContact O-N 3.09Å; T252-K255 PolarHBondContact O-N 3.49Å; L253-K255 VanDerWaalsContact C-N 3.27Å; L253-K255 PolarHBondContact O-N 2.73Å; K255-L257 VanDerWaalsContact C-N 3.28Å; K255-L257 PolarHBondContact O-N 3.14Å; K255-H258 PolarHBondContact O-CD2 3.3Å; K255-H258 VanDerWaalsContact O-CD2 3.23Å; K255-H258 PolarHBondContact O-N 3.4Å; K255-H258 VanDerWaalsContact O-N 3.15Å
256F98.9Very high98.7Very high30 Ų3056.1 Ų56.113%0.13226%0.26CS..Hα-helixtrans-60.7-37.4174.7161.3-99.2000112.3K178 L180 Y231 M235 T252 L253 H258K178-F256 HydrophobicContact CB-CE1 4Å; K178-F256 HydrophobicContact CB-CZ 4.11Å; K178-F256 HydrophobicContact CD-CD1 4.45Å; K178-F256 HydrophobicContact CD-CE1 4.05Å; K178-F256 HydrophobicContact CD-CE2 4.5Å; K178-F256 HydrophobicContact CD-CZ 4.08Å; K178-F256 WeakPolarHBondContact CD-O 3.48Å; K178-F256 WeakPolarHBondContact CE-O 3.24Å; K178-F256 HydrophobicContact CG-CE1 4.5Å; K178-F256 HydrophobicContact CG-CZ 4.35Å; L180-F256 HydrophobicContact CD2-CD1 3.97Å; L180-F256 HydrophobicContact CD2-CE1 3.78Å; Y231-F256 VanDerWaalsContact O-CE2 3.27Å; Y231-F256 WeakPolarHBondContact O-CE2 3.29Å; M235-F256 HydrophobicContact CB-CD1 3.89Å; M235-F256 HydrophobicContact CB-CD2 4.2Å; M235-F256 HydrophobicContact CB-CE1 3.73Å; M235-F256 HydrophobicContact CB-CE2 4.05Å; M235-F256 HydrophobicContact CB-CG 4.12Å; M235-F256 HydrophobicContact CB-CZ 3.81Å; M235-F256 HydrophobicContact SD-CB 3.93Å; M235-F256 HydrophobicContact SD-CD1 4.04Å; M235-F256 HydrophobicContact SD-CG 3.96Å; T252-F256 WeakPolarHBondContact O-CB 3.37Å; T252-F256 PolarHBondContact O-N 3.3Å; L253-F256 CarbonylContact O-C 3.47Å; L253-F256 WeakPolarHBondContact O-CA 3.47Å; L253-F256 WeakPolarHBondContact O-CB 3.44Å; L253-F256 PolarHBondContact O-N 3.35Å; L253-F256 VanDerWaalsContact O-N 3.08Å; F256-H258 VanDerWaalsContact C-N 3.27Å; F256-H258 PolarHBondContact O-N 3.3Å
257L98.8Very high98.7Very high13 Ų1357.4 Ų57.47%0.06827%0.265CS..Hα-helixtrans-76.6-11.3177-64.9-177.1000113.9I72 L89 K178 L180 L253 L254 K255 I259I72-L257 HydrophobicContact CD1-CD1 3.83Å; I72-L257 HydrophobicContact CG1-CD1 4.21Å; I72-L257 HydrophobicContact CG1-CD2 4.18Å; I72-L257 HydrophobicContact CG2-CD1 4.35Å; I72-L257 HydrophobicContact CG2-CD2 4.32Å; L89-L257 HydrophobicContact CD1-CD1 4.33Å; K178-L257 HydrophobicContact CB-CD2 3.77Å; K178-L257 HydrophobicContact CD-CD2 3.9Å; K178-L257 HydrophobicContact CG-CD2 4.47Å; L180-L257 HydrophobicContact CD1-CD1 4.4Å; L180-L257 HydrophobicContact CD2-CD2 4.48Å; L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 4.05Å; L253-L257 WeakPolarHBondContact O-CG 3.19Å; L253-L257 PolarHBondContact O-N 3.22Å; L254-L257 CarbonylContact O-C 3.45Å; L254-L257 PolarHBondContact O-N 3.33Å; K255-L257 VanDerWaalsContact C-N 3.28Å; K255-L257 PolarHBondContact O-N 3.14Å; L257-I259 VanDerWaalsContact C-N 3.31Å; L257-I259 HydrophobicContact CB-CD1 3.91Å; L257-I259 HydrophobicContact CB-CG1 3.95Å; L257-I259 HydrophobicContact CD1-CD1 4.18Å
258H98.6Very high98.7Very high147 Ų14753.6 Ų53.668%0.68125%0.248SC*.THydrogen-bonded Turntrans58.439.8-170.2-49.2151.1000113.2L254 K255 F256L254-H258 PolarHBondContact O-N 3.31Å; K255-H258 PolarHBondContact O-CD2 3.3Å; K255-H258 VanDerWaalsContact O-CD2 3.23Å; K255-H258 PolarHBondContact O-N 3.4Å; K255-H258 VanDerWaalsContact O-N 3.15Å; F256-H258 VanDerWaalsContact C-N 3.27Å; F256-H258 PolarHBondContact O-N 3.3Å
259I98.8Very high98.5Very high10 Ų1047.6 Ų47.65%0.05123%0.226CC..  trans-111.5136.7177.1-59.3176.7000108.3I72 I95 Y155 L254 L257I72-I259 HydrophobicContact CD1-CD1 3.94Å; I95-I259 HydrophobicContact CD1-CD1 3.65Å; I95-I259 HydrophobicContact CD1-CG2 4.2Å; I95-I259 HydrophobicContact CG1-CD1 3.97Å; I95-I259 HydrophobicContact CG1-CG2 4.46Å; Y155-I259 HydrophobicContact CD1-CD1 3.91Å; Y155-I259 HydrophobicContact CD1-CG1 4.08Å; Y155-I259 HydrophobicContact CD2-CD1 3.85Å; Y155-I259 HydrophobicContact CD2-CG1 4.06Å; Y155-I259 HydrophobicContact CD2-CG2 4.19Å; Y155-I259 HydrophobicContact CE1-CD1 4.33Å; Y155-I259 HydrophobicContact CE1-CG1 3.98Å; Y155-I259 HydrophobicContact CE2-CD1 4.29Å; Y155-I259 HydrophobicContact CE2-CG1 3.97Å; Y155-I259 HydrophobicContact CE2-CG2 3.98Å; Y155-I259 HydrophobicContact CG-CD1 3.65Å; Y155-I259 HydrophobicContact CG-CG1 4.12Å; L254-I259 CarbonylContact C-O 3.58Å; L254-I259 HydrophobicContact CD2-CB 4.05Å; L254-I259 HydrophobicContact CD2-CG2 4.13Å; L254-I259 PolarHBondContact O-N 3.04Å; L257-I259 VanDerWaalsContact C-N 3.31Å; L257-I259 HydrophobicContact CB-CD1 3.91Å; L257-I259 HydrophobicContact CB-CG1 3.95Å; L257-I259 HydrophobicContact CD1-CD1 4.18Å
260P98.7Very high98.4Very high82 Ų8249.7 Ų49.753%0.53224%0.238SC..  trans-54.2152.2176-26.636000112.7H92H92-P260 PolarHBondContact NE2-O 3.5Å
261W98.8Very high98.3Very high78 Ų7851.9 Ų51.930%0.29525%0.249SC..  trans-71132.7174.2170.6-100.9000110.6E247 M250 R251 L254 V265 L266E247-W261 HydrophobicContact CG-CH2 4.16Å; E247-W261 HydrophobicContact CG-CZ2 4.37Å; M250-W261 HydrophobicContact CB-CH2 4.2Å; M250-W261 HydrophobicContact CB-CZ3 3.71Å; R251-W261 HydrophobicContact CB-CE3 4.35Å; R251-W261 HydrophobicContact CB-CZ3 4.33Å; R251-W261 HydrophobicContact CG-CD2 4.05Å; R251-W261 HydrophobicContact CG-CE3 3.5Å; R251-W261 VanDerWaalsContact CG-CE3 3.5Å; R251-W261 HydrophobicContact CG-CH2 4Å; R251-W261 HydrophobicContact CG-CZ2 4.47Å; R251-W261 HydrophobicContact CG-CZ3 3.48Å; R251-W261 VanDerWaalsContact CG-CZ3 3.48Å; L254-W261 HydrophobicContact CD1-CE3 3.78Å; L254-W261 HydrophobicContact CD1-CZ3 4.19Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ3-CG2 3.76Å; W261-L266 HydrophobicContact CH2-CD1 3.94Å; W261-L266 HydrophobicContact CH2-CD2 4.27Å; W261-L266 HydrophobicContact CH2-CG 4Å; W261-L266 HydrophobicContact CZ2-CD1 4.01Å; W261-L266 HydrophobicContact CZ2-CG 4.37Å
262N98.8Very high98.2Very high55 Ų5547.8 Ų47.829%0.29424%0.235SC..  trans-128.9137.3164.6-163.3-52.7000109.9H92 P93 S264 V265H92-N262 VanDerWaalsContact CD2-CB 3.41Å; H92-N262 WeakPolarHBondContact CD2-CB 3.35Å; H92-N262 WeakPolarHBondContact NE2-CB 3.49Å; P93-N262 WeakPolarHBondContact CD-ND2 3.38Å; P93-N262 WeakPolarHBondContact CG-ND2 3.24Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 2.93Å; N262-S264 WeakPolarHBondContact OD1-CB 3.22Å; N262-S264 PolarHBondContact OD1-N 2.83Å; N262-S264 PolarHBondContact OD1-OG 3.45Å; N262-S264 VanDerWaalsContact OD1-OG 3.06Å; N262-V265 VanDerWaalsContact O-CG2 3.26Å; N262-V265 WeakPolarHBondContact O-CG2 3.49Å
263H98.4Very high97.9Very high84 Ų8447.6 Ų47.639%0.38925%0.247SC..G310 helixtrans-69.7-21.9-177.6-165.770.1000113.3V265 L266 H267H263-V265 PolarHBondContact O-N 3.1Å; H263-V265 VanDerWaalsContact O-N 3.11Å; H263-L266 PolarHBondContact O-N 2.93Å; H263-L266 VanDerWaalsContact O-N 3.09Å; H263-H267 AromaticContact CD2-CD2 3.51Å; H263-H267 AromaticContact CD2-NE2 3.18Å; H263-H267 PolarHBondContact CD2-NE2 2.85Å; H263-H267 AromaticContact CE1-NE2 3.96Å; H263-H267 AromaticContact NE2-CD2 3.72Å; H263-H267 AromaticContact NE2-CE1 3.99Å; H263-H267 AromaticContact NE2-NE2 2.91Å; H263-H267 PolarHBondContact NE2-NE2 3.36Å; H263-H267 PolarHBondContact O-CD2 3.41Å
264S98.4Very high97.7Very high22 Ų2253.2 Ų53.215%0.15427%0.271CS..G310 helixtrans-58.4-24.7-179.561.70000113.7A91 N262 L266 H267A91-S264 WeakPolarHBondContact CB-O 3.38Å; A91-S264 WeakPolarHBondContact O-CB 3.44Å; A91-S264 PolarHBondContact O-OG 3.38Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 2.93Å; N262-S264 WeakPolarHBondContact OD1-CB 3.22Å; N262-S264 PolarHBondContact OD1-N 2.83Å; N262-S264 PolarHBondContact OD1-OG 3.45Å; N262-S264 VanDerWaalsContact OD1-OG 3.06Å; S264-L266 PolarHBondContact O-N 3.19Å; S264-L266 VanDerWaalsContact O-N 3.07Å; S264-H267 CarbonylContact O-C 3.58Å; S264-H267 PolarHBondContact O-N 2.93Å
265V98.7Very high97.3Very high0 Ų058 Ų580%031%0.312CS..G310 helixtrans-62.2-16.2176.9-53.90000114.1M88 H92 M250 L254 W261 N262 H263M88-V265 WeakPolarHBondContact CE-O 3.32Å; M88-V265 WeakPolarHBondContact O-CA 3.47Å; M88-V265 VanDerWaalsContact O-CB 3.32Å; M88-V265 WeakPolarHBondContact O-CB 3.31Å; M88-V265 WeakPolarHBondContact O-CG1 3.12Å; H92-V265 HydrophobicContact CB-CG1 3.87Å; M250-V265 HydrophobicContact CB-CG2 3.84Å; M250-V265 HydrophobicContact CE-CB 3.88Å; M250-V265 HydrophobicContact CE-CG1 4.31Å; M250-V265 HydrophobicContact CE-CG2 4.13Å; M250-V265 HydrophobicContact CG-CG2 4.02Å; L254-V265 HydrophobicContact CD1-CG1 4.23Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ3-CG2 3.76Å; N262-V265 VanDerWaalsContact O-CG2 3.26Å; N262-V265 WeakPolarHBondContact O-CG2 3.49Å; H263-V265 PolarHBondContact O-N 3.1Å; H263-V265 VanDerWaalsContact O-N 3.11Å
266L98.6Very high97Very high20 Ų2052.4 Ų52.411%0.10530%0.301CS..G310 helixtrans-94.6-4.7175.9-56.7-177.8000113.5M88 P246 E247 M250 W261 H263 S264M88-L266 HydrophobicContact CE-CD2 4.43Å; P246-L266 HydrophobicContact CB-CD2 4.05Å; E247-L266 HydrophobicContact CB-CD1 3.85Å; E247-L266 HydrophobicContact CB-CD2 4.34Å; E247-L266 HydrophobicContact CG-CD1 4.03Å; M250-L266 HydrophobicContact CB-CD2 4.4Å; M250-L266 HydrophobicContact CG-CD2 4.15Å; W261-L266 HydrophobicContact CH2-CD1 3.94Å; W261-L266 HydrophobicContact CH2-CD2 4.27Å; W261-L266 HydrophobicContact CH2-CG 4Å; W261-L266 HydrophobicContact CZ2-CD1 4.01Å; W261-L266 HydrophobicContact CZ2-CG 4.37Å; H263-L266 PolarHBondContact O-N 2.93Å; H263-L266 VanDerWaalsContact O-N 3.09Å; S264-L266 PolarHBondContact O-N 3.19Å; S264-L266 VanDerWaalsContact O-N 3.07Å
267H97.7Very high96.8Very high35 Ų3551.6 Ų51.616%0.16230%0.301CS..  trans-131.843-175.1-55.2-77.1000110.6H263 S264 E269 E270H263-H267 AromaticContact CD2-CD2 3.51Å; H263-H267 AromaticContact CD2-NE2 3.18Å; H263-H267 PolarHBondContact CD2-NE2 2.85Å; H263-H267 AromaticContact CE1-NE2 3.96Å; H263-H267 AromaticContact NE2-CD2 3.72Å; H263-H267 AromaticContact NE2-CE1 3.99Å; H263-H267 AromaticContact NE2-NE2 2.91Å; H263-H267 PolarHBondContact NE2-NE2 3.36Å; H263-H267 PolarHBondContact O-CD2 3.41Å; S264-H267 CarbonylContact O-C 3.58Å; S264-H267 PolarHBondContact O-N 2.93Å; H267-E269 VanDerWaalsContact CA-OE2 3.31Å; H267-E269 WeakPolarHBondContact CA-OE2 3.17Å; H267-E269 PolarHBondContact O-N 3.48Å; H267-E270 HydrophobicContact CB-CB 4.45Å; H267-E270 HydrophobicContact CB-CG 4.21Å; H267-E270 WeakPolarHBondContact O-CB 3.41Å; H267-E270 PolarHBondContact O-N 2.96Å
268H98.1Very high96.8Very high0 Ų051 Ų510%030%0.298CS..G310 helixtrans-60.2-29.9-175.969.380.6000112.7L84 A91 E270 M271 I272 V278 V290 K292L84-H268 WeakPolarHBondContact CD1-NE2 3.14Å; A91-H268 HydrophobicContact CB-CB 3.93Å; H268-E270 PolarHBondContact O-N 3.47Å; H268-M271 PolarHBondContact O-N 3.43Å; H268-M271 VanDerWaalsContact O-N 3.09Å; H268-I272 WeakPolarHBondContact O-CG1 3.28Å; H268-V278 HydrophobicContact CB-CG2 4.31Å; H268-V290 PolarHBondContact CE1-O 3Å; H268-V290 PolarHBondContact ND1-O 2.93Å; H268-K292 PolarHBondContact CE1-O 2.86Å
269E96.4Very high96.7Very high24 Ų2446.8 Ų46.811%0.11229%0.285CS..G310 helixtrans-62.3-31.3176.573-76-169.800112.5H267 M271 P293H267-E269 VanDerWaalsContact CA-OE2 3.31Å; H267-E269 WeakPolarHBondContact CA-OE2 3.17Å; H267-E269 PolarHBondContact O-N 3.48Å; E269-M271 VanDerWaalsContact C-N 3.25Å; E269-M271 PolarHBondContact O-N 3.47Å; E269-P293 HydrophobicContact CG-CB 4.13Å
270E96Very high96.6Very high94 Ų9447.1 Ų47.144%0.43929%0.287SS..G310 helixtrans-79.3-12.7177.4-56.4-173.9173.500112H267 H268 K274H267-E270 HydrophobicContact CB-CB 4.45Å; H267-E270 HydrophobicContact CB-CG 4.21Å; H267-E270 WeakPolarHBondContact O-CB 3.41Å; H267-E270 PolarHBondContact O-N 2.96Å; H268-E270 PolarHBondContact O-N 3.47Å; E270-K274 WeakPolarHBondContact O-CD 3.22Å; E270-K274 WeakPolarHBondContact O-CE 3.13Å; E270-K274 PolarHBondContact O-NZ 3.4Å
271M96.8Very high96.4Very high46 Ų4644.8 Ų44.823%0.22727%0.273CS..G310 helixtrans-1034-175.8-60.9-54.9-67.400113.3A91 H268 E269 G273 K274 G277 V278A91-M271 HydrophobicContact CB-CB 4.12Å; A91-M271 HydrophobicContact CB-CG 4.03Å; H268-M271 PolarHBondContact O-N 3.43Å; H268-M271 VanDerWaalsContact O-N 3.09Å; E269-M271 VanDerWaalsContact C-N 3.25Å; E269-M271 PolarHBondContact O-N 3.47Å; M271-G273 PolarHBondContact O-N 3.16Å; M271-K274 PolarHBondContact O-N 3.03Å; M271-K274 HydrophobicContact SD-CD 4.39Å; M271-G277 CarbonylContact O-C 3.52Å; M271-G277 WeakPolarHBondContact O-CA 3.42Å; M271-V278 HydrophobicContact CB-CG2 4.12Å; M271-V278 PolarHBondContact O-N 2.81Å
272I96.2Very high96.1Very high23 Ų2349.2 Ų49.212%0.11829%0.294CS..BIsolated β-bridgetrans-70.2128.9-177-60.5174.2000111.2H268 K274 V278 L280 I291 P357 F359H268-I272 WeakPolarHBondContact O-CG1 3.28Å; I272-K274 PolarHBondContact O-N 3.49Å; I272-V278 WeakPolarHBondContact CA-O 3.12Å; I272-V278 HydrophobicContact CG1-CB 4.14Å; I272-V278 HydrophobicContact CG1-CG1 4.5Å; I272-L280 HydrophobicContact CD1-CD1 4.01Å; I272-L280 HydrophobicContact CG1-CD1 4.32Å; I272-L280 HydrophobicContact CG2-CD1 3.75Å; I272-L280 HydrophobicContact CG2-CG 4.22Å; I272-I291 HydrophobicContact CD1-CB 4.09Å; I272-I291 HydrophobicContact CD1-CG2 3.93Å; I272-P357 HydrophobicContact CB-CG 4.4Å; I272-P357 HydrophobicContact CD1-CG 4.46Å; I272-P357 HydrophobicContact CG2-CB 4.04Å; I272-P357 HydrophobicContact CG2-CG 3.62Å; I272-F359 HydrophobicContact CG2-CE1 4.21Å
273G92.6Very high95.8Very high66 Ų6652.1 Ų52.168%0.6831%0.313SS*.THydrogen-bonded Turntrans70.92.4178.900000114.8M271 V278M271-G273 PolarHBondContact O-N 3.16Å; G273-V278 PolarHBondContact N-O 3Å
274K93.8Very high95.5Very high118 Ų11849.2 Ų49.251%0.51330%0.3SS..SBendtrans-84.1153.4176.8-64.7-172.5178.8166.20111.1E270 M271 I272 G276 G277E270-K274 WeakPolarHBondContact O-CD 3.22Å; E270-K274 WeakPolarHBondContact O-CE 3.13Å; E270-K274 PolarHBondContact O-NZ 3.4Å; M271-K274 PolarHBondContact O-N 3.03Å; M271-K274 HydrophobicContact SD-CD 4.39Å; I272-K274 PolarHBondContact O-N 3.49Å; K274-G276 PolarHBondContact O-N 2.94Å; K274-G277 PolarHBondContact O-N 2.76Å
275A92.1Very high95.3Very high104 Ų10453.6 Ų53.686%0.8631%0.313SS*.THydrogen-bonded Turntrans-59.9131.5172.100000110.4G277A275-G277 PolarHBondContact O-N 2.84Å
276G91.7Very high95.1Very high50 Ų5054.6 Ų54.652%0.51532%0.32SS..THydrogen-bonded Turntrans64.321.2-174.400000114.2K274K274-G276 PolarHBondContact O-N 2.94Å
277G95.7Very high94.9Very high12 Ų1253.8 Ų53.812%0.12432%0.316CS..SBendtrans-119.1-150.2178.900000113.2D90 M271 K274 A275 S279D90-G277 CarbonylContact O-C 3.51Å; D90-G277 WeakPolarHBondContact O-CA 3.29Å; M271-G277 CarbonylContact O-C 3.52Å; M271-G277 WeakPolarHBondContact O-CA 3.42Å; K274-G277 PolarHBondContact O-N 2.76Å; A275-G277 PolarHBondContact O-N 2.84Å; G277-S279 PolarHBondContact O-N 3.25Å
278V97.9Very high94.6Very high2 Ų255.4 Ų55.41%0.01233%0.326CS..BIsolated β-bridgetrans-88.8108.5-170.7-170.60000111.5A87 D90 A91 H268 M271 I272 G273 L280A87-V278 HydrophobicContact CB-CG1 3.78Å; A87-V278 WeakPolarHBondContact O-CG2 3.47Å; D90-V278 HydrophobicContact CB-CB 4.22Å; D90-V278 HydrophobicContact CB-CG1 4.3Å; D90-V278 HydrophobicContact CB-CG2 3.86Å; A91-V278 HydrophobicContact CB-CG2 4.22Å; H268-V278 HydrophobicContact CB-CG2 4.31Å; M271-V278 HydrophobicContact CB-CG2 4.12Å; M271-V278 PolarHBondContact O-N 2.81Å; I272-V278 WeakPolarHBondContact CA-O 3.12Å; I272-V278 HydrophobicContact CG1-CB 4.14Å; I272-V278 HydrophobicContact CG1-CG1 4.5Å; G273-V278 PolarHBondContact N-O 3Å; V278-L280 HydrophobicContact CG1-CD2 3.69Å; V278-L280 HydrophobicContact CG1-CG 4.12Å
279S97.2Very high94.5Very high58 Ų5857.8 Ų57.841%0.40634%0.337SS..  trans-84.9132.1168.8-166.20000111.5R86 E99 G277R86-S279 VanDerWaalsContact CZ-O 3.29Å; R86-S279 PolarHBondContact NH1-O 2.96Å; R86-S279 PolarHBondContact NH2-O 2.73Å; E99-S279 VanDerWaalsContact OE1-CB 3.25Å; E99-S279 WeakPolarHBondContact OE1-CB 3.48Å; E99-S279 PolarHBondContact OE1-OG 2.76Å; G277-S279 PolarHBondContact O-N 3.25Å
280L96.6Very high94.4Very high17 Ų1757 Ų579%0.08933%0.334CS..  trans-126.3133.6-177.2-61.6-178.5000111.1R86 I272 V278 T287 V290 I291 F359R86-L280 VanDerWaalsContact NH2-CD2 3.29Å; I272-L280 HydrophobicContact CD1-CD1 4.01Å; I272-L280 HydrophobicContact CG1-CD1 4.32Å; I272-L280 HydrophobicContact CG2-CD1 3.75Å; I272-L280 HydrophobicContact CG2-CG 4.22Å; V278-L280 HydrophobicContact CG1-CD2 3.69Å; V278-L280 HydrophobicContact CG1-CG 4.12Å; L280-T287 HydrophobicContact CB-CG2 4.18Å; L280-T287 HydrophobicContact CD1-CG2 4.2Å; L280-V290 HydrophobicContact CD1-CG1 3.7Å; L280-V290 HydrophobicContact CD2-CG1 3.55Å; L280-V290 HydrophobicContact CG-CG1 4.31Å; L280-I291 HydrophobicContact CD1-CG2 3.75Å; L280-F359 HydrophobicContact CB-CZ 4Å; L280-F359 HydrophobicContact CD1-CZ 4.37Å
281S94.9Very high94.4Very high33 Ų3352.8 Ų52.823%0.23131%0.314CS..  trans-78.1128.7168.5173.70000111.1V283 E284 T287S281-V283 PolarHBondContact O-N 3.2Å; S281-V283 VanDerWaalsContact OG-CG2 3.28Å; S281-V283 WeakPolarHBondContact OG-CG2 3.38Å; S281-V283 PolarHBondContact OG-N 3.08Å; S281-E284 PolarHBondContact O-N 2.59Å; S281-T287 PolarHBondContact O-OG1 2.97Å
282K91.8Very high94.5Very high170 Ų17053.5 Ų53.574%0.73932%0.316SS*.THydrogen-bonded Turntrans-63.3-18.6175.667.4-176.4-179.8-178.20114.4F359K282-F359 HydrophobicContact CB-CD2 4.44Å
283V92.6Very high94.5Very high116 Ų11652.4 Ų52.470%0.70331%0.311SS*.THydrogen-bonded Turntrans-103-2.2-179.4-620000113.6S281S281-V283 PolarHBondContact O-N 3.2Å; S281-V283 VanDerWaalsContact OG-CG2 3.28Å; S281-V283 WeakPolarHBondContact OG-CG2 3.38Å; S281-V283 PolarHBondContact OG-N 3.08Å
284E92.6Very high94.8Very high24 Ų2449.5 Ų49.511%0.11228%0.28CS..SBendtrans-72.9133171.3-90-173.1-137.800111.3E99 E100 K159 S281 S286 T287E99-E284 WeakPolarHBondContact CB-OE1 3.41Å; E100-E284 PolarHBondContact N-OE1 3.42Å; K159-E284 IonicContact NZ-OE2 3.74Å; K159-E284 PolarHBondContact NZ-OE2 2.94Å; S281-E284 PolarHBondContact O-N 2.59Å; E284-S286 PolarHBondContact O-N 2.88Å; E284-T287 WeakPolarHBondContact O-CB 3.25Å; E284-T287 PolarHBondContact O-N 3.23Å; E284-T287 VanDerWaalsContact O-N 3.16Å; E284-T287 PolarHBondContact O-OG1 3.03Å
285R92.9Very high95Very high114 Ų11445.5 Ų45.543%0.4326%0.264SS..THydrogen-bonded Turntrans-69.1-6-173.8-55.5-56.5-55.8-74.5-0.3114.9R196 K197 V198 Q289R196-R285 PolarHBondContact O-NH1 3.18Å; R196-R285 PolarHBondContact O-NH2 2.9Å; K197-R285 PolarHBondContact O-NH1 2.03Å; V198-R285 HydrophobicContact CG1-CG 4.34Å; V198-R285 HydrophobicContact CG2-CB 3.98Å; V198-R285 HydrophobicContact CG2-CG 4.14Å; R285-Q289 PolarHBondContact O-NE2 2.83Å
286S95.6Very high95.3Very high20 Ų2041.7 Ų41.714%0.1423%0.23CC..THydrogen-bonded Turntrans-103.6-4.4179-580000113.4R79 T83 E284 Q289 V290R79-S286 PolarHBondContact NH1-OG 2.77Å; T83-S286 WeakPolarHBondContact OG1-CB 3.44Å; T83-S286 PolarHBondContact OG1-OG 3.49Å; E284-S286 PolarHBondContact O-N 2.88Å; S286-Q289 PolarHBondContact O-N 2.99Å; S286-Q289 VanDerWaalsContact O-N 3.1Å; S286-V290 PolarHBondContact O-N 3.04Å
287T93.8Very high95.5Very high4 Ų440 Ų403%0.02521%0.212CC..Hα-helixtrans-63.1-46.8-171-640000112.6L280 S281 E284 Q289 V290 I291 F359 L360L280-T287 HydrophobicContact CB-CG2 4.18Å; L280-T287 HydrophobicContact CD1-CG2 4.2Å; S281-T287 PolarHBondContact O-OG1 2.97Å; E284-T287 WeakPolarHBondContact O-CB 3.25Å; E284-T287 PolarHBondContact O-N 3.23Å; E284-T287 VanDerWaalsContact O-N 3.16Å; E284-T287 PolarHBondContact O-OG1 3.03Å; T287-Q289 PolarHBondContact O-N 3.48Å; T287-V290 PolarHBondContact O-N 2.9Å; T287-I291 WeakPolarHBondContact O-CG2 3.43Å; T287-I291 PolarHBondContact O-N 3.34Å; T287-F359 HydrophobicContact CG2-CE2 4.22Å; T287-F359 HydrophobicContact CG2-CZ 4.44Å; T287-L360 HydrophobicContact CG2-CD1 4.38Å
288D91.6Very high95.6Very high68 Ų6840.9 Ų40.936%0.36422%0.219SC..Hα-helixtrans-59-19.3174.364.4-40.8000114.3R196 I291 K292R196-D288 IonicContact CZ-OD2 3.4Å; R196-D288 IonicContact NH1-OD2 3.11Å; R196-D288 PolarHBondContact NH1-OD2 3.48Å; R196-D288 IonicContact NH2-OD2 3.76Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; D288-K292 WeakPolarHBondContact O-CE 3.47Å
289Q95.3Very high95.6Very high51 Ų5141.6 Ų41.624%0.23822%0.222CC..Hα-helixtrans-96.1-40.2179.7-57.2122.347.600112R285 S286 T287 I291 K292R285-Q289 PolarHBondContact O-NE2 2.83Å; S286-Q289 PolarHBondContact O-N 2.99Å; S286-Q289 VanDerWaalsContact O-N 3.1Å; T287-Q289 PolarHBondContact O-N 3.48Å; Q289-I291 VanDerWaalsContact C-N 3.29Å; Q289-I291 PolarHBondContact O-N 3.35Å; Q289-K292 PolarHBondContact O-N 3.37Å
290V95.9Very high95.6Very high7 Ų741.6 Ų41.64%0.04222%0.222CC..Hα-helixtrans-78.7-12.2-175.877.70000113.2T83 L84 A87 H268 L280 S286 T287 K292T83-V290 HydrophobicContact CG2-CB 4.26Å; T83-V290 HydrophobicContact CG2-CG1 4.16Å; T83-V290 HydrophobicContact CG2-CG2 4.28Å; L84-V290 HydrophobicContact CD1-CG2 4.47Å; A87-V290 HydrophobicContact CB-CG2 3.41Å; A87-V290 VanDerWaalsContact CB-CG2 3.41Å; H268-V290 PolarHBondContact CE1-O 3Å; H268-V290 PolarHBondContact ND1-O 2.93Å; L280-V290 HydrophobicContact CD1-CG1 3.7Å; L280-V290 HydrophobicContact CD2-CG1 3.55Å; L280-V290 HydrophobicContact CG-CG1 4.31Å; S286-V290 PolarHBondContact O-N 3.04Å; T287-V290 PolarHBondContact O-N 2.9Å; V290-K292 PolarHBondContact O-N 3.28Å
291I95.8Very high95.7Very high6 Ų646.8 Ų46.83%0.03124%0.244CC..THydrogen-bonded Turntrans-70-13.8169.657.1158.7000113.7I272 L280 T287 D288 Q289 F354 L356 P357 L360I272-I291 HydrophobicContact CD1-CB 4.09Å; I272-I291 HydrophobicContact CD1-CG2 3.93Å; L280-I291 HydrophobicContact CD1-CG2 3.75Å; T287-I291 WeakPolarHBondContact O-CG2 3.43Å; T287-I291 PolarHBondContact O-N 3.34Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; Q289-I291 VanDerWaalsContact C-N 3.29Å; Q289-I291 PolarHBondContact O-N 3.35Å; I291-F354 HydrophobicContact CD1-CD2 4.44Å; I291-F354 HydrophobicContact CD1-CE2 4.01Å; I291-L356 HydrophobicContact CD1-CD2 3.68Å; I291-P357 HydrophobicContact CB-CG 4.29Å; I291-P357 HydrophobicContact CG2-CG 3.54Å; I291-L360 HydrophobicContact CD1-CD1 3.94Å; I291-L360 HydrophobicContact CG2-CD1 3.98Å
292K97.1Very high95.8Very high60 Ų6045.3 Ų45.326%0.26123%0.233SC..SBendtrans-94.3148.4-179.5-64.3164.5-173.2-173.60109.1H268 D288 Q289 V290 V349 F354H268-K292 PolarHBondContact CE1-O 2.86Å; D288-K292 WeakPolarHBondContact O-CE 3.47Å; Q289-K292 PolarHBondContact O-N 3.37Å; V290-K292 PolarHBondContact O-N 3.28Å; K292-V349 HydrophobicContact CB-CG2 3.97Å; K292-V349 HydrophobicContact CD-CG1 3.89Å; K292-V349 HydrophobicContact CG-CG1 4.46Å; K292-V349 HydrophobicContact CG-CG2 4.37Å; K292-F354 HydrophobicContact CD-CE1 4.43Å; K292-F354 HydrophobicContact CD-CZ 4.38Å; K292-F354 VanDerWaalsContact CE-CZ 3.47Å; K292-F354 HydrophobicContact CG-CD1 4.18Å; K292-F354 HydrophobicContact CG-CD2 3.94Å; K292-F354 HydrophobicContact CG-CE1 4.25Å; K292-F354 HydrophobicContact CG-CE2 4.03Å; K292-F354 HydrophobicContact CG-CG 4.04Å; K292-F354 HydrophobicContact CG-CZ 4.2Å
293P97.6Very high96.2Very high1 Ų139.7 Ų39.71%0.00621%0.213CC..PPolyproline II helixtrans-57.5158.9171.126-35.5000111E269 N295 N345 V349E269-P293 HydrophobicContact CG-CB 4.13Å; P293-N295 PolarHBondContact O-N 3.25Å; P293-N295 VanDerWaalsContact O-N 3.12Å; P293-N295 PolarHBondContact O-ND2 3.37Å; P293-N345 HydrophobicContact CB-CB 4.24Å; P293-N345 HydrophobicContact CG-CB 4.24Å; P293-V349 HydrophobicContact CG-CG2 3.8Å
294V98.3Very high96.4Very high5 Ų537.6 Ų37.63%0.0322%0.215CC..SBendtrans-50.4122.8173-179.40000109.7L84 M88 V243 P246 I342 N345L84-V294 HydrophobicContact CD1-CG2 4.26Å; M88-V294 HydrophobicContact CE-CG2 4.11Å; M88-V294 HydrophobicContact SD-CG2 4.11Å; V243-V294 HydrophobicContact CB-CG1 4.04Å; V243-V294 HydrophobicContact CG1-CG1 4.18Å; P246-V294 HydrophobicContact CB-CG1 4.39Å; P246-V294 HydrophobicContact CG-CG1 4.18Å; V294-I342 HydrophobicContact CB-CD1 4.34Å; V294-I342 HydrophobicContact CG1-CD1 4.2Å; V294-N345 WeakPolarHBondContact O-CB 3.48Å; V294-N345 PolarHBondContact O-ND2 2.85Å
295N98.4Very high96.7Very high33 Ų3342.3 Ų42.318%0.17624%0.235CC..  trans-144.4157.1-177.466.387.6000110.5P293 G297 T346 V349P293-N295 PolarHBondContact O-N 3.25Å; P293-N295 VanDerWaalsContact O-N 3.12Å; P293-N295 PolarHBondContact O-ND2 3.37Å; N295-G297 PolarHBondContact OD1-N 3.12Å; N295-T346 WeakPolarHBondContact CA-OG1 3.46Å; N295-T346 WeakPolarHBondContact CB-OG1 3.42Å; N295-V349 HydrophobicContact CB-CG2 4.39Å
296V97.9Very high97Very high24 Ų2437.4 Ų37.415%0.14522%0.217CC..SBendtrans-96.87.5-176.3-70.80000113.9V243 L244 A298 L299 P338 I342 T346V243-V296 HydrophobicContact CG2-CG1 4.23Å; L244-V296 HydrophobicContact CD2-CG1 4.01Å; V296-A298 PolarHBondContact O-N 2.94Å; V296-L299 HydrophobicContact CB-CD1 3.7Å; V296-L299 HydrophobicContact CB-CG 4.12Å; V296-L299 HydrophobicContact CG1-CD1 3.82Å; V296-L299 HydrophobicContact CG1-CG 4.42Å; V296-L299 WeakPolarHBondContact O-CG 3.41Å; V296-L299 PolarHBondContact O-N 3.33Å; V296-P338 HydrophobicContact CG1-CB 4.12Å; V296-I342 HydrophobicContact CG1-CG2 3.71Å; V296-T346 HydrophobicContact CG2-CG2 4.16Å; V296-T346 WeakPolarHBondContact CG2-OG1 3.3Å; V296-T346 PolarHBondContact N-OG1 2.93Å; V296-T346 VanDerWaalsContact N-OG1 3.12Å
297G95.8Very high97.1Very high14 Ų1438.7 Ų38.714%0.14423%0.225CC..THydrogen-bonded Turntrans-61.1-21.7-173.600000114N295 K301N295-G297 PolarHBondContact OD1-N 3.12Å; G297-K301 WeakPolarHBondContact O-CE 3.2Å; G297-K301 WeakPolarHBondContact O-CG 3.27Å
298A97.7Very high97.4Very high32 Ų3243.5 Ų43.526%0.26426%0.257SS..THydrogen-bonded Turntrans-100.12.6-176.700000115.1R184 V296 S300R184-A298 PolarHBondContact NH2-O 3.43Å; V296-A298 PolarHBondContact O-N 2.94Å; A298-S300 PolarHBondContact O-N 3.43Å
299L98.1Very high97.7Very high16 Ų1643.9 Ų43.98%0.08426%0.259CS..SBendtrans-57.8-51.4-176.3-74.1178.6000112.8Y239 E240 V243 L244 V296 Y335Y239-L299 HydrophobicContact CE1-CD2 4.15Å; E240-L299 HydrophobicContact CB-CD2 3.78Å; E240-L299 HydrophobicContact CG-CD2 3.71Å; V243-L299 HydrophobicContact CG2-CD2 3.49Å; V243-L299 VanDerWaalsContact CG2-CD2 3.49Å; V243-L299 HydrophobicContact CG2-CG 4.17Å; L244-L299 HydrophobicContact CD2-CD1 3.88Å; L244-L299 HydrophobicContact CG-CD1 4.25Å; V296-L299 HydrophobicContact CB-CD1 3.7Å; V296-L299 HydrophobicContact CB-CG 4.12Å; V296-L299 HydrophobicContact CG1-CD1 3.82Å; V296-L299 HydrophobicContact CG1-CG 4.42Å; V296-L299 WeakPolarHBondContact O-CG 3.41Å; V296-L299 PolarHBondContact O-N 3.33Å; L299-Y335 HydrophobicContact CB-CD2 4.35Å
300S97.8Very high97.9Very high58 Ų5841.6 Ų41.641%0.40625%0.248SC..SBendtrans-125.919.2-165.238.80000114.4A298 W302 V303A298-S300 PolarHBondContact O-N 3.43Å; S300-W302 PolarHBondContact O-N 3.21Å; S300-V303 WeakPolarHBondContact O-CB 3.45Å; S300-V303 VanDerWaalsContact O-CG2 3.27Å; S300-V303 WeakPolarHBondContact O-CG2 3.39Å; S300-V303 PolarHBondContact O-N 2.9Å; S300-V303 VanDerWaalsContact O-N 3.15Å
301K97.6Very high98Very high126 Ų12643.5 Ų43.555%0.54826%0.258SS..THydrogen-bonded Turntrans-60.7-17.9178.3-67.4-168.6-177.4-165.10114.6G297 V303G297-K301 WeakPolarHBondContact O-CE 3.2Å; G297-K301 WeakPolarHBondContact O-CG 3.27Å; K301-V303 VanDerWaalsContact C-N 3.31Å
302W98.6Very high98.1Very high2 Ų250.7 Ų50.71%0.00829%0.291CS..THydrogen-bonded Turntrans-75.8-18.918066.4-96.1000113.4R187 A188 H191 S300 G304 K305 I306 N331 P332 Y335R187-W302 HydrophobicContact CB-CD2 3.67Å; R187-W302 HydrophobicContact CB-CE3 3.66Å; R187-W302 HydrophobicContact CB-CG 4.23Å; R187-W302 HydrophobicContact CB-CH2 4.17Å; R187-W302 HydrophobicContact CB-CZ2 4.16Å; R187-W302 HydrophobicContact CB-CZ3 3.92Å; R187-W302 VanDerWaalsContact CD-CH2 3.45Å; R187-W302 HydrophobicContact CG-CE3 4.41Å; R187-W302 HydrophobicContact CG-CH2 4.39Å; R187-W302 HydrophobicContact CG-CZ3 4.22Å; A188-W302 HydrophobicContact CB-CG 4.29Å; H191-W302 HydrophobicContact CB-CB 3.52Å; S300-W302 PolarHBondContact O-N 3.21Å; W302-G304 PolarHBondContact O-N 3.17Å; W302-K305 VanDerWaalsContact O-CB 3.31Å; W302-K305 WeakPolarHBondContact O-CB 3.43Å; W302-K305 PolarHBondContact O-N 3.16Å; W302-I306 HydrophobicContact CE3-CD1 3.62Å; W302-I306 HydrophobicContact CE3-CG1 4.26Å; W302-I306 HydrophobicContact CZ3-CD1 3.95Å; W302-N331 HydrophobicContact CH2-CB 4.45Å; W302-N331 WeakPolarHBondContact CH2-OD1 3.26Å; W302-N331 WeakPolarHBondContact CZ3-OD1 3.5Å; W302-P332 HydrophobicContact CZ2-CB 3.81Å; W302-Y335 PolarHBondContact NE1-OH 3.38Å; W302-Y335 VanDerWaalsContact NE1-OH 3.07Å
303V98.4Very high98.2Very high53 Ų5350.5 Ų50.532%0.32129%0.293SS..THydrogen-bonded Turntrans-62132-177178.60000109.7S300 K301 K305 P332S300-V303 WeakPolarHBondContact O-CB 3.45Å; S300-V303 VanDerWaalsContact O-CG2 3.27Å; S300-V303 WeakPolarHBondContact O-CG2 3.39Å; S300-V303 PolarHBondContact O-N 2.9Å; S300-V303 VanDerWaalsContact O-N 3.15Å; K301-V303 VanDerWaalsContact C-N 3.31Å; V303-K305 VanDerWaalsContact C-N 3.27Å; V303-K305 PolarHBondContact O-N 3.12Å; V303-P332 HydrophobicContact CG2-CB 3.6Å; V303-P332 HydrophobicContact CG2-CG 3.77Å
304G98.2Very high98.3Very high72 Ų7250.4 Ų50.474%0.74229%0.293SS*.THydrogen-bonded Turntrans75.27.8-176.700000115.2W302W302-G304 PolarHBondContact O-N 3.17Å
305K98.6Very high98.3Very high123 Ų12351.4 Ų51.454%0.53530%0.301SS..  trans-106.9-13.4179.8-52.6-61.8-177.1176.40114.1Y208 W302 V303Y208-K305 PolarHBondContact OH-O 2.83Å; W302-K305 VanDerWaalsContact O-CB 3.31Å; W302-K305 WeakPolarHBondContact O-CB 3.43Å; W302-K305 PolarHBondContact O-N 3.16Å; V303-K305 VanDerWaalsContact C-N 3.27Å; V303-K305 PolarHBondContact O-N 3.12Å
306I98.6Very high98.3Very high10 Ų1055.7 Ų55.75%0.05133%0.328CS..SBendtrans-89.3132.9-178.6-58.3-176.4000108.8R187 Y208 W302 V310 L311 M314R187-I306 HydrophobicContact CB-CD1 3.64Å; R187-I306 HydrophobicContact CG-CD1 3.69Å; Y208-I306 HydrophobicContact CD1-CG1 3.96Å; Y208-I306 HydrophobicContact CD1-CG2 4.43Å; Y208-I306 HydrophobicContact CE1-CG1 3.92Å; W302-I306 HydrophobicContact CE3-CD1 3.62Å; W302-I306 HydrophobicContact CE3-CG1 4.26Å; W302-I306 HydrophobicContact CZ3-CD1 3.95Å; I306-V310 HydrophobicContact CG2-CB 3.79Å; I306-V310 HydrophobicContact CG2-CG1 3.64Å; I306-L311 HydrophobicContact CB-CD2 3.81Å; I306-L311 HydrophobicContact CB-CG 4.02Å; I306-L311 HydrophobicContact CD1-CD2 4.33Å; I306-L311 HydrophobicContact CG2-CD2 3.79Å; I306-L311 HydrophobicContact CG2-CG 3.85Å; I306-M314 HydrophobicContact CD1-CE 4.02Å; I306-M314 HydrophobicContact CG2-CE 4.15Å
307P98.8Very high98.3Very high47 Ų4755.2 Ų55.231%0.30533%0.325SS..  trans-55142.7175.9-28.236.7000113.1Y208 D309 V310 L311Y208-P307 HydrophobicContact CD2-CG 4.2Å; P307-D309 VanDerWaalsContact C-N 3.32Å; P307-D309 WeakPolarHBondContact CB-OD1 3.31Å; P307-D309 PolarHBondContact O-N 3.37Å; P307-V310 HydrophobicContact CB-CB 4.49Å; P307-V310 HydrophobicContact CB-CG2 4.17Å; P307-V310 HydrophobicContact CG-CG2 4.45Å; P307-V310 WeakPolarHBondContact O-CB 3.46Å; P307-V310 PolarHBondContact O-N 2.89Å; P307-V310 VanDerWaalsContact O-N 3.09Å; P307-L311 PolarHBondContact O-N 3.28Å
308P98.6Very high98.5Very high106 Ų10654.6 Ų54.669%0.68832%0.318SS*.Hα-helixtrans-58-36.7-176.7-26.935.1000114.8V310 L311 Q312P308-V310 VanDerWaalsContact C-N 3.31Å; P308-V310 PolarHBondContact O-N 2.99Å; P308-L311 WeakPolarHBondContact O-CB 3.37Å; P308-L311 PolarHBondContact O-N 3.13Å; P308-Q312 PolarHBondContact O-N 3.09Å
309D98.6Very high98.5Very high75 Ų7555.6 Ų55.640%0.40132%0.322SS..Hα-helixtrans-63.9-37.6177.370.8-65.9000111.7R209 P307 Q312 D313R209-D309 IonicContact CZ-OD2 3.9Å; R209-D309 IonicContact NE-OD2 2.7Å; R209-D309 PolarHBondContact NH2-O 3.27Å; R209-D309 IonicContact NH2-OD2 2.88Å; R209-D309 PolarHBondContact NH2-OD2 3.33Å; P307-D309 VanDerWaalsContact C-N 3.32Å; P307-D309 WeakPolarHBondContact CB-OD1 3.31Å; P307-D309 PolarHBondContact O-N 3.37Å; D309-Q312 PolarHBondContact O-N 3.14Å; D309-D313 PolarHBondContact O-N 3.27Å; D309-D313 VanDerWaalsContact O-N 3.17Å
310V98.8Very high98.6Very high4 Ų454.9 Ų54.92%0.02432%0.318CS..Hα-helixtrans-72-35.7177.1178.70000110.9R209 L212 I306 P307 P308 D313 M314 I317R209-V310 HydrophobicContact CB-CG2 3.99Å; L212-V310 HydrophobicContact CD1-CG1 3.46Å; L212-V310 VanDerWaalsContact CD1-CG1 3.46Å; I306-V310 HydrophobicContact CG2-CB 3.79Å; I306-V310 HydrophobicContact CG2-CG1 3.64Å; P307-V310 HydrophobicContact CB-CB 4.49Å; P307-V310 HydrophobicContact CB-CG2 4.17Å; P307-V310 HydrophobicContact CG-CG2 4.45Å; P307-V310 WeakPolarHBondContact O-CB 3.46Å; P307-V310 PolarHBondContact O-N 2.89Å; P307-V310 VanDerWaalsContact O-N 3.09Å; P308-V310 VanDerWaalsContact C-N 3.31Å; P308-V310 PolarHBondContact O-N 2.99Å; V310-D313 PolarHBondContact O-N 3.22Å; V310-M314 HydrophobicContact CG1-CE 4.28Å; V310-M314 WeakPolarHBondContact O-CA 3.46Å; V310-M314 PolarHBondContact O-N 3.44Å; V310-M314 VanDerWaalsContact O-N 3.1Å; V310-I317 HydrophobicContact CB-CD1 4.47Å; V310-I317 HydrophobicContact CG1-CD1 3.9Å
311L98.6Very high98.6Very high47 Ų4752.1 Ų52.125%0.24630%0.299CS..Hα-helixtrans-64.7-43.2173.5-70.7176.3000111.6I306 P307 P308 D313 M314 N331I306-L311 HydrophobicContact CB-CD2 3.81Å; I306-L311 HydrophobicContact CB-CG 4.02Å; I306-L311 HydrophobicContact CD1-CD2 4.33Å; I306-L311 HydrophobicContact CG2-CD2 3.79Å; I306-L311 HydrophobicContact CG2-CG 3.85Å; P307-L311 PolarHBondContact O-N 3.28Å; P308-L311 WeakPolarHBondContact O-CB 3.37Å; P308-L311 PolarHBondContact O-N 3.13Å; L311-D313 VanDerWaalsContact C-N 3.28Å; L311-D313 PolarHBondContact O-N 2.82Å; L311-M314 HydrophobicContact CD2-CE 3.94Å; L311-M314 VanDerWaalsContact O-CB 3.31Å; L311-M314 WeakPolarHBondContact O-CB 3.41Å; L311-M314 PolarHBondContact O-N 3.1Å; L311-N331 VanDerWaalsContact CD2-OD1 3.31Å; L311-N331 WeakPolarHBondContact CD2-OD1 3.24Å
312Q98.6Very high98.7Very high156 Ų15649 Ų4973%0.72930%0.296SS*.Hα-helixtrans-59.3-41.1177-177.3174.9-3.700111.7P308 D309P308-Q312 PolarHBondContact O-N 3.09Å; D309-Q312 PolarHBondContact O-N 3.14Å
313D98.8Very high98.7Very high56 Ų5655.5 Ų55.530%0.29933%0.325SS..THydrogen-bonded Turntrans-91.98.3-177.8-66.1-19.7000114R209 D309 V310 L311 A315 V316 I317R209-D313 IonicContact CZ-OD2 3.37Å; R209-D313 VanDerWaalsContact CZ-OD2 3.22Å; R209-D313 IonicContact NH1-OD2 2.74Å; R209-D313 PolarHBondContact NH1-OD2 2.74Å; R209-D313 IonicContact NH2-OD2 3.93Å; R209-D313 PolarHBondContact NH2-OD2 3.04Å; D309-D313 PolarHBondContact O-N 3.27Å; D309-D313 VanDerWaalsContact O-N 3.17Å; V310-D313 PolarHBondContact O-N 3.22Å; L311-D313 VanDerWaalsContact C-N 3.28Å; L311-D313 PolarHBondContact O-N 2.82Å; D313-A315 VanDerWaalsContact C-N 3.3Å; D313-A315 PolarHBondContact O-N 2.95Å; D313-A315 VanDerWaalsContact O-N 3.15Å; D313-V316 WeakPolarHBondContact O-CA 3.44Å; D313-V316 WeakPolarHBondContact O-CB 3.46Å; D313-V316 PolarHBondContact O-N 3.19Å; D313-I317 HydrophobicContact CB-CD1 3.68Å; D313-I317 HydrophobicContact CB-CG1 3.97Å; D313-I317 WeakPolarHBondContact O-CG1 3.31Å; D313-I317 PolarHBondContact O-N 2.83Å
314M98.9Very high98.7Very high0 Ų053.6 Ų53.60%031%0.313CS..Hα-helixtrans-54.4-42.9-167.8-172.763.162.900113.3R187 L212 I306 V310 L311 V316 I317 A318 L321 P328R187-M314 HydrophobicContact CG-CE 3.75Å; R187-M314 HydrophobicContact CG-SD 3.75Å; L212-M314 HydrophobicContact CD1-CE 3.85Å; L212-M314 HydrophobicContact CD1-SD 3.89Å; L212-M314 HydrophobicContact CD2-SD 4.3Å; I306-M314 HydrophobicContact CD1-CE 4.02Å; I306-M314 HydrophobicContact CG2-CE 4.15Å; V310-M314 HydrophobicContact CG1-CE 4.28Å; V310-M314 WeakPolarHBondContact O-CA 3.46Å; V310-M314 PolarHBondContact O-N 3.44Å; V310-M314 VanDerWaalsContact O-N 3.1Å; L311-M314 HydrophobicContact CD2-CE 3.94Å; L311-M314 VanDerWaalsContact O-CB 3.31Å; L311-M314 WeakPolarHBondContact O-CB 3.41Å; L311-M314 PolarHBondContact O-N 3.1Å; M314-V316 VanDerWaalsContact C-N 3.3Å; M314-V316 PolarHBondContact O-N 3.39Å; M314-I317 PolarHBondContact O-N 3.49Å; M314-A318 PolarHBondContact O-N 3.02Å; M314-A318 HydrophobicContact SD-CB 4.47Å; M314-L321 HydrophobicContact CG-CD1 3.67Å; M314-L321 HydrophobicContact SD-CD1 3.68Å; M314-P328 HydrophobicContact CB-CB 4.44Å; M314-P328 HydrophobicContact CG-CB 4.02Å; M314-P328 VanDerWaalsContact CG-O 3.32Å; M314-P328 WeakPolarHBondContact CG-O 3.35Å
315A98.6Very high98.7Very high25 Ų2553.5 Ų53.521%0.20731%0.312CS..Hα-helixtrans-67.5-29.1179.400000113.3D313 P328 Y329D313-A315 VanDerWaalsContact C-N 3.3Å; D313-A315 PolarHBondContact O-N 2.95Å; D313-A315 VanDerWaalsContact O-N 3.15Å; A315-P328 HydrophobicContact CB-CB 4.09Å; A315-P328 HydrophobicContact CB-CG 3.93Å; A315-Y329 HydrophobicContact CB-CE1 4.28Å; A315-Y329 HydrophobicContact CB-CE2 4.16Å; A315-Y329 VanDerWaalsContact CB-OH 3.29Å; A315-Y329 WeakPolarHBondContact CB-OH 3.45Å
316V98.7Very high98.7Very high123 Ų12348.1 Ų48.175%0.74529%0.288SS*.Hα-helixtrans-80.1-44177.4179.90000110.5D313 M314D313-V316 WeakPolarHBondContact O-CA 3.44Å; D313-V316 WeakPolarHBondContact O-CB 3.46Å; D313-V316 PolarHBondContact O-N 3.19Å; M314-V316 VanDerWaalsContact C-N 3.3Å; M314-V316 PolarHBondContact O-N 3.39Å
317I98.8Very high98.7Very high15 Ų1551.6 Ų51.68%0.07731%0.307CS..Hα-helixtrans-67.4-42-179.7-63.7166.3000110.9R209 L212 V310 D313 M314R209-I317 HydrophobicContact CG-CD1 3.98Å; R209-I317 HydrophobicContact CG-CG1 4.4Å; L212-I317 HydrophobicContact CB-CG2 3.51Å; V310-I317 HydrophobicContact CB-CD1 4.47Å; V310-I317 HydrophobicContact CG1-CD1 3.9Å; D313-I317 HydrophobicContact CB-CD1 3.68Å; D313-I317 HydrophobicContact CB-CG1 3.97Å; D313-I317 WeakPolarHBondContact O-CG1 3.31Å; D313-I317 PolarHBondContact O-N 2.83Å; M314-I317 PolarHBondContact O-N 3.49Å
318A98.8Very high98.7Very high0 Ų050 Ų500%030%0.296CS..  trans-133.161-168.400000112.9W215 N216 M314 M320 L321W215-A318 HydrophobicContact CE3-CB 4.27Å; W215-A318 HydrophobicContact CZ3-CB 3.99Å; N216-A318 HydrophobicContact CB-CB 4.44Å; N216-A318 WeakPolarHBondContact OD1-CA 3.2Å; M314-A318 PolarHBondContact O-N 3.02Å; M314-A318 HydrophobicContact SD-CB 4.47Å; A318-M320 PolarHBondContact O-N 3.43Å; A318-M320 VanDerWaalsContact O-N 3.08Å; A318-L321 HydrophobicContact CB-CD1 3.76Å; A318-L321 HydrophobicContact CB-CG 3.98Å; A318-L321 WeakPolarHBondContact O-CB 3.38Å; A318-L321 WeakPolarHBondContact O-CG 3.43Å; A318-L321 PolarHBondContact O-N 3.48Å
319P98.8Very high98.7Very high53 Ų5352.2 Ų52.234%0.34429%0.292SS..THydrogen-bonded Turntrans-60.4-20.9179.425.8-36.8000113.8N216 L321 A322 K323N216-P319 VanDerWaalsContact OD1-CD 3.28Å; N216-P319 WeakPolarHBondContact OD1-CD 3.32Å; P319-L321 PolarHBondContact O-N 3.08Å; P319-A322 PolarHBondContact O-N 3.47Å; P319-K323 PolarHBondContact O-N 3.09Å
320M98.9Very high98.7Very high1 Ų149.8 Ų49.81%0.00528%0.282CS..Hα-helixtrans-63.2-22.2172.7-73.9-61.1-6000113.2W215 N216 I219 E220 Y223 A318 K323 L324W215-M320 HydrophobicContact CH2-CB 4.12Å; W215-M320 HydrophobicContact CZ3-CB 4.06Å; N216-M320 WeakPolarHBondContact OD1-CB 3.19Å; N216-M320 VanDerWaalsContact OD1-CG 3.23Å; N216-M320 WeakPolarHBondContact OD1-CG 3.34Å; N216-M320 PolarHBondContact OD1-N 3.17Å; I219-M320 HydrophobicContact CG2-CB 3.79Å; I219-M320 HydrophobicContact CG2-CE 4.49Å; I219-M320 HydrophobicContact CG2-CG 3.94Å; E220-M320 HydrophobicContact CB-CG 3.8Å; E220-M320 HydrophobicContact CB-SD 3.86Å; E220-M320 HydrophobicContact CG-CG 4.47Å; E220-M320 HydrophobicContact CG-SD 4.03Å; Y223-M320 HydrophobicContact CD1-CE 3.88Å; Y223-M320 HydrophobicContact CD2-CE 4.48Å; Y223-M320 HydrophobicContact CG-CE 3.8Å; A318-M320 PolarHBondContact O-N 3.43Å; A318-M320 VanDerWaalsContact O-N 3.08Å; M320-K323 HydrophobicContact CE-CB 4.45Å; M320-K323 PolarHBondContact O-N 2.88Å; M320-K323 HydrophobicContact SD-CB 4.29Å; M320-K323 HydrophobicContact SD-CD 3.51Å; M320-K323 VanDerWaalsContact SD-CD 3.51Å; M320-L324 HydrophobicContact CB-CD1 4.18Å; M320-L324 HydrophobicContact CE-CD1 3.94Å; M320-L324 HydrophobicContact CE-CD2 4.16Å; M320-L324 HydrophobicContact CE-CG 3.93Å; M320-L324 VanDerWaalsContact O-CB 3.26Å; M320-L324 WeakPolarHBondContact O-CB 3.11Å; M320-L324 WeakPolarHBondContact O-CD1 3.29Å; M320-L324 WeakPolarHBondContact O-CG 3.49Å; M320-L324 PolarHBondContact O-N 3.37Å
321L98.9Very high98.6Very high0 Ų052.9 Ų52.90%030%0.299CS..Hα-helixtrans-54.9-56.1173.1-72.1171.6000110.4D185 R187 W215 M314 A318 P319 K323 L324 G325 Y326 P328D185-L321 WeakPolarHBondContact OD1-CD2 3.35Å; R187-L321 HydrophobicContact CG-CD1 4.4Å; W215-L321 HydrophobicContact CH2-CD2 3.74Å; W215-L321 HydrophobicContact CH2-CG 4.04Å; W215-L321 HydrophobicContact CZ2-CD2 4.45Å; W215-L321 HydrophobicContact CZ3-CD2 4.14Å; W215-L321 HydrophobicContact CZ3-CG 4.05Å; M314-L321 HydrophobicContact CG-CD1 3.67Å; M314-L321 HydrophobicContact SD-CD1 3.68Å; A318-L321 HydrophobicContact CB-CD1 3.76Å; A318-L321 HydrophobicContact CB-CG 3.98Å; A318-L321 WeakPolarHBondContact O-CB 3.38Å; A318-L321 WeakPolarHBondContact O-CG 3.43Å; A318-L321 PolarHBondContact O-N 3.48Å; P319-L321 PolarHBondContact O-N 3.08Å; L321-K323 PolarHBondContact O-N 2.93Å; L321-L324 CarbonylContact O-C 3.58Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-L324 VanDerWaalsContact O-N 3.12Å; L321-G325 PolarHBondContact O-N 3Å; L321-Y326 CarbonylContact C-O 3.09Å; L321-Y326 HydrophobicContact CD2-CD2 4.21Å; L321-Y326 HydrophobicContact CD2-CG 4.35Å; L321-Y326 WeakPolarHBondContact O-CA 3.41Å; L321-Y326 PolarHBondContact O-N 3.35Å; L321-Y326 VanDerWaalsContact O-O 3.13Å; L321-P328 HydrophobicContact CB-CB 4.42Å; L321-P328 HydrophobicContact CD1-CB 4.26Å
322A98.8Very high98.6Very high60 Ų6053.1 Ų53.150%0.49630%0.303SS..Hα-helixtrans-63-43-179.300000112P319 L324 G325 Y326P319-A322 PolarHBondContact O-N 3.47Å; A322-L324 PolarHBondContact O-N 3.39Å; A322-G325 PolarHBondContact O-N 3.38Å; A322-Y326 WeakPolarHBondContact CA-O 3.5Å; A322-Y326 PolarHBondContact N-O 3.5Å
323K98.7Very high98.4Very high140 Ų14046.5 Ų46.561%0.60927%0.274SS*.Hα-helixtrans-59.6-30.2176.1-72.8171.2176-86.60113P319 M320 L321P319-K323 PolarHBondContact O-N 3.09Å; M320-K323 HydrophobicContact CE-CB 4.45Å; M320-K323 PolarHBondContact O-N 2.88Å; M320-K323 HydrophobicContact SD-CB 4.29Å; M320-K323 HydrophobicContact SD-CD 3.51Å; M320-K323 VanDerWaalsContact SD-CD 3.51Å; L321-K323 PolarHBondContact O-N 2.93Å
324L98.7Very high98.3Very high12 Ų1250.8 Ų50.86%0.06330%0.297CS..THydrogen-bonded Turntrans-95.710.3179.2-62.8165.8000112.5V183 W215 I219 Y223 L236 H238 M320 L321 A322 Y326V183-L324 HydrophobicContact CG1-CB 4.26Å; V183-L324 HydrophobicContact CG1-CD1 3.87Å; V183-L324 HydrophobicContact CG1-CD2 4.11Å; V183-L324 HydrophobicContact CG1-CG 4.3Å; V183-L324 HydrophobicContact CG2-CD2 4.48Å; W215-L324 HydrophobicContact CH2-CD1 4.32Å; W215-L324 HydrophobicContact CZ2-CD1 4.47Å; I219-L324 HydrophobicContact CG1-CD1 3.86Å; I219-L324 HydrophobicContact CG2-CD1 4.34Å; Y223-L324 HydrophobicContact CD2-CD2 3.66Å; Y223-L324 HydrophobicContact CE2-CD2 3.91Å; Y223-L324 HydrophobicContact CG-CD2 4.39Å; L236-L324 HydrophobicContact CD2-CD2 4.22Å; H238-L324 PolarHBondContact CE1-O 2.75Å; H238-L324 VanDerWaalsContact CE1-O 3.27Å; M320-L324 HydrophobicContact CB-CD1 4.18Å; M320-L324 HydrophobicContact CE-CD1 3.94Å; M320-L324 HydrophobicContact CE-CD2 4.16Å; M320-L324 HydrophobicContact CE-CG 3.93Å; M320-L324 VanDerWaalsContact O-CB 3.26Å; M320-L324 WeakPolarHBondContact O-CB 3.11Å; M320-L324 WeakPolarHBondContact O-CD1 3.29Å; M320-L324 WeakPolarHBondContact O-CG 3.49Å; M320-L324 PolarHBondContact O-N 3.37Å; L321-L324 CarbonylContact O-C 3.58Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-L324 VanDerWaalsContact O-N 3.12Å; A322-L324 PolarHBondContact O-N 3.39Å; L324-Y326 HydrophobicContact CB-CD2 3.84Å; L324-Y326 HydrophobicContact CB-CE2 3.81Å
325G98.6Very high98.2Very high70 Ų7051.9 Ų51.972%0.72230%0.301SS*.THydrogen-bonded Turntrans80.513.1176.400000115.3L321 A322L321-G325 PolarHBondContact O-N 3Å; A322-G325 PolarHBondContact O-N 3.38Å
326Y98.8Very high98.2Very high11 Ų1152.3 Ų52.34%0.04331%0.307CS..  trans-94.4117.2170.1-53.7-72.8000109.6V183 D185 H238 E240 L321 A322 L324 P328 Y335V183-Y326 HydrophobicContact CG1-CE2 3.87Å; D185-Y326 HydrophobicContact CB-CD1 3.92Å; D185-Y326 HydrophobicContact CB-CE1 3.95Å; D185-Y326 HydrophobicContact CB-CG 4.34Å; H238-Y326 AromaticContact ND1-CZ 3.69Å; H238-Y326 PolarHBondContact ND1-OH 2.95Å; E240-Y326 PolarHBondContact OE2-OH 3.48Å; L321-Y326 CarbonylContact C-O 3.09Å; L321-Y326 HydrophobicContact CD2-CD2 4.21Å; L321-Y326 HydrophobicContact CD2-CG 4.35Å; L321-Y326 WeakPolarHBondContact O-CA 3.41Å; L321-Y326 PolarHBondContact O-N 3.35Å; L321-Y326 VanDerWaalsContact O-O 3.13Å; A322-Y326 WeakPolarHBondContact CA-O 3.5Å; A322-Y326 PolarHBondContact N-O 3.5Å; L324-Y326 HydrophobicContact CB-CD2 3.84Å; L324-Y326 HydrophobicContact CB-CE2 3.81Å; Y326-P328 VanDerWaalsContact O-CD 3.28Å; Y326-P328 WeakPolarHBondContact O-CD 3.42Å; Y326-P328 VanDerWaalsContact O-N 3.17Å; Y326-Y335 HydrophobicContact CD1-CD1 4.5Å; Y326-Y335 AromaticContact CD1-CE1 3.99Å; Y326-Y335 HydrophobicContact CD1-CE1 3.99Å; Y326-Y335 HydrophobicContact CE1-CD1 4.44Å; Y326-Y335 HydrophobicContact CE1-CE1 4.15Å
327D98.7Very high98.1Very high82 Ų8254.8 Ų54.844%0.43931%0.308SS..  trans-61.3116.7171.3-179.7-10.9000109.5R187 Y329 A330R187-D327 PolarHBondContact NH1-O 2.62Å; R187-D327 PolarHBondContact NH2-O 3.33Å; D327-Y329 PolarHBondContact O-N 2.93Å; D327-Y329 PolarHBondContact OD1-N 2.92Å; D327-A330 HydrophobicContact CB-CB 3.81Å; D327-A330 PolarHBondContact OD1-N 3.38Å
328P98.6Very high98.1Very high13 Ų1355.8 Ų55.88%0.08432%0.316CS..SBendtrans-69.2-17.6-178.329-34.3000113R187 M314 A315 L321 Y326R187-P328 PolarHBondContact NH1-O 2.92Å; M314-P328 HydrophobicContact CB-CB 4.44Å; M314-P328 HydrophobicContact CG-CB 4.02Å; M314-P328 VanDerWaalsContact CG-O 3.32Å; M314-P328 WeakPolarHBondContact CG-O 3.35Å; A315-P328 HydrophobicContact CB-CB 4.09Å; A315-P328 HydrophobicContact CB-CG 3.93Å; L321-P328 HydrophobicContact CB-CB 4.42Å; L321-P328 HydrophobicContact CD1-CB 4.26Å; Y326-P328 VanDerWaalsContact O-CD 3.28Å; Y326-P328 WeakPolarHBondContact O-CD 3.42Å; Y326-P328 VanDerWaalsContact O-N 3.17Å
329Y98.3Very high98Very high153 Ų15358.2 Ų58.260%0.633%0.329SS*.SBendtrans-99.1-19.1-178.8-58.1-68.8000113.4A315 D327 N331A315-Y329 HydrophobicContact CB-CE1 4.28Å; A315-Y329 HydrophobicContact CB-CE2 4.16Å; A315-Y329 VanDerWaalsContact CB-OH 3.29Å; A315-Y329 WeakPolarHBondContact CB-OH 3.45Å; D327-Y329 PolarHBondContact O-N 2.93Å; D327-Y329 PolarHBondContact OD1-N 2.92Å; Y329-N331 PolarHBondContact O-ND2 3.36Å
330A98.4Very high97.9Very high24 Ų2460.9 Ų60.920%0.19835%0.346CS..  trans-74.1134.9174.700000112.5R187 D327 P333R187-A330 PolarHBondContact NH1-O 3.25Å; D327-A330 HydrophobicContact CB-CB 3.81Å; D327-A330 PolarHBondContact OD1-N 3.38Å; A330-P333 HydrophobicContact CB-CB 4.31Å; A330-P333 HydrophobicContact CB-CG 4.18Å; A330-P333 WeakPolarHBondContact O-CD 3.43Å
331N97.4Very high97.7Very high69 Ų6965.7 Ų65.737%0.36937%0.367SS..SBendtrans-132.980.5-175.6-76.1-83.6000112.3W302 L311 Y329W302-N331 HydrophobicContact CH2-CB 4.45Å; W302-N331 WeakPolarHBondContact CH2-OD1 3.26Å; W302-N331 WeakPolarHBondContact CZ3-OD1 3.5Å; L311-N331 VanDerWaalsContact CD2-OD1 3.31Å; L311-N331 WeakPolarHBondContact CD2-OD1 3.24Å; Y329-N331 PolarHBondContact O-ND2 3.36Å
332P97.1Very high97.7Very high53 Ų5366 Ų6634%0.34437%0.369SS..SBendcis-89.9168.6-1.535.7-30.8000112.6W302 V303 Y335W302-P332 HydrophobicContact CZ2-CB 3.81Å; V303-P332 HydrophobicContact CG2-CB 3.6Å; V303-P332 HydrophobicContact CG2-CG 3.77Å; P332-Y335 HydrophobicContact CB-CE2 4Å
333P95.1Very high97.5Very high16 Ų1666.5 Ų66.510%0.10436%0.363CS..  trans-57.2152.2159.8-1930.8000111.6A330 Y335A330-P333 HydrophobicContact CB-CB 4.31Å; A330-P333 HydrophobicContact CB-CG 4.18Å; A330-P333 WeakPolarHBondContact O-CD 3.43Å; P333-Y335 HydrophobicContact CB-CD1 4.26Å; P333-Y335 HydrophobicContact CB-CE1 3.98Å; P333-Y335 HydrophobicContact CG-CE1 3.96Å; P333-Y335 PolarHBondContact O-N 2.95Å
334N96.8Very high97.3Very high146 Ų14665 Ų6578%0.78136%0.358SS*.  trans-75.995.1167.1-176.71.7000109.6G336N334-G336 PolarHBondContact O-N 2.91Å; N334-G336 PolarHBondContact OD1-N 2.95Å; N334-G336 VanDerWaalsContact OD1-N 3.08Å
335Y97.6Very high97.2Very high24 Ų2465 Ų659%0.09436%0.358CS..  trans-68.9-14.8179.3-55.2-62.6000113.8D185 E240 Q241 L244 L299 W302 Y326 P332 P333D185-Y335 HydrophobicContact CB-CE1 4.19Å; D185-Y335 PolarHBondContact OD2-OH 3.41Å; E240-Y335 HydrophobicContact CB-CD1 4.19Å; E240-Y335 HydrophobicContact CB-CG 4.17Å; E240-Y335 HydrophobicContact CG-CD1 3.71Å; E240-Y335 HydrophobicContact CG-CD2 4.4Å; E240-Y335 HydrophobicContact CG-CE1 4.05Å; E240-Y335 HydrophobicContact CG-CG 3.9Å; Q241-Y335 PolarHBondContact NE2-O 3.44Å; L244-Y335 WeakPolarHBondContact CD1-O 3.38Å; L299-Y335 HydrophobicContact CB-CD2 4.35Å; W302-Y335 PolarHBondContact NE1-OH 3.38Å; W302-Y335 VanDerWaalsContact NE1-OH 3.07Å; Y326-Y335 HydrophobicContact CD1-CD1 4.5Å; Y326-Y335 AromaticContact CD1-CE1 3.99Å; Y326-Y335 HydrophobicContact CD1-CE1 3.99Å; Y326-Y335 HydrophobicContact CE1-CD1 4.44Å; Y326-Y335 HydrophobicContact CE1-CE1 4.15Å; P332-Y335 HydrophobicContact CB-CE2 4Å; P333-Y335 HydrophobicContact CB-CD1 4.26Å; P333-Y335 HydrophobicContact CB-CE1 3.98Å; P333-Y335 HydrophobicContact CG-CE1 3.96Å; P333-Y335 PolarHBondContact O-N 2.95Å
336G97.3Very high97.1Very high33 Ų3362.2 Ų62.234%0.3433%0.327SS..  trans117.8177.3-174.900000113.1N334N334-G336 PolarHBondContact O-N 2.91Å; N334-G336 PolarHBondContact OD1-N 2.95Å; N334-G336 VanDerWaalsContact OD1-N 3.08Å
337K97.7Very high96.9Very high176 Ų17669.1 Ų69.177%0.76535%0.353SS*.  trans-104.4132.7179.3-68.1-177.2-179.4178.80110.1H245H245-K337 PolarHBondContact CE1-O 3.39Å
338P97.9Very high96.7Very high35 Ų3569.4 Ų69.423%0.22735%0.348CS..  trans-68.3154.6-178.324.4-32.2000112.6L244 V296 I342 L343L244-P338 HydrophobicContact CD2-CB 3.81Å; L244-P338 HydrophobicContact CD2-CG 4.27Å; V296-P338 HydrophobicContact CG1-CB 4.12Å; P338-I342 HydrophobicContact CB-CB 4.23Å; P338-I342 HydrophobicContact CB-CG2 4.35Å; P338-L343 HydrophobicContact CB-CD2 4.39Å; P338-L343 HydrophobicContact CB-CG 4.33Å; P338-L343 HydrophobicContact CG-CD1 4.26Å; P338-L343 HydrophobicContact CG-CD2 3.42Å; P338-L343 VanDerWaalsContact CG-CD2 3.42Å; P338-L343 HydrophobicContact CG-CG 3.69Å
339D97.7Very high96.4Very high51 Ų5169.8 Ų69.827%0.27335%0.35SS..  trans-61.1145.8165.4-64.5-18.2000110.3L244 H245 K341 I342 L343L244-D339 PolarHBondContact O-N 3.03Å; H245-D339 WeakPolarHBondContact CA-OD2 3.35Å; H245-D339 IonicContact CE1-OD1 3.85Å; H245-D339 IonicContact CG-OD1 2.71Å; H245-D339 IonicContact ND1-OD1 3.22Å; H245-D339 PolarHBondContact ND1-OD1 3.09Å; H245-D339 IonicContact ND1-OD2 2.93Å; D339-K341 VanDerWaalsContact C-N 3.27Å; D339-K341 PolarHBondContact O-N 3.44Å; D339-K341 VanDerWaalsContact O-N 3.15Å; D339-I342 HydrophobicContact CB-CG1 4.28Å; D339-I342 WeakPolarHBondContact O-CB 3.47Å; D339-I342 PolarHBondContact O-N 2.92Å; D339-L343 PolarHBondContact O-N 3.27Å
340P96.8Very high96.1Very high110 Ų11070.3 Ų70.371%0.71435%0.352SS*.Hα-helixtrans-53.7-39.2-175.7-29.335.6000114.6I342 L343 E344P340-I342 PolarHBondContact O-N 3.02Å; P340-L343 WeakPolarHBondContact O-CB 3.46Å; P340-L343 PolarHBondContact O-N 3.3Å; P340-L343 VanDerWaalsContact O-N 3.15Å; P340-E344 PolarHBondContact O-N 2.98Å
341K94.7Very high95.9Very high101 Ų10176.2 Ų76.244%0.43937%0.373SS..Hα-helixtrans-61.6-30.4178-169.3172.8-175.8179.50112.6D339 E344 N345D339-K341 VanDerWaalsContact C-N 3.27Å; D339-K341 PolarHBondContact O-N 3.44Å; D339-K341 VanDerWaalsContact O-N 3.15Å; K341-E344 WeakPolarHBondContact O-CB 3.31Å; K341-E344 PolarHBondContact O-N 3.5Å; K341-N345 PolarHBondContact O-N 2.99Å; K341-N345 PolarHBondContact O-OD1 3.4Å
342I97.4Very high95.5Very high7 Ų775.2 Ų75.24%0.03638%0.379CS..Hα-helixtrans-76.4-32.4178.6-55.8-51.1000111.7V243 P246 V294 V296 P338 D339 P340 E344 N345 T346V243-I342 WeakPolarHBondContact O-CG2 3.18Å; P246-I342 HydrophobicContact CG-CD1 3.43Å; P246-I342 VanDerWaalsContact CG-CD1 3.43Å; P246-I342 HydrophobicContact CG-CG1 3.98Å; V294-I342 HydrophobicContact CB-CD1 4.34Å; V294-I342 HydrophobicContact CG1-CD1 4.2Å; V296-I342 HydrophobicContact CG1-CG2 3.71Å; P338-I342 HydrophobicContact CB-CB 4.23Å; P338-I342 HydrophobicContact CB-CG2 4.35Å; D339-I342 HydrophobicContact CB-CG1 4.28Å; D339-I342 WeakPolarHBondContact O-CB 3.47Å; D339-I342 PolarHBondContact O-N 2.92Å; P340-I342 PolarHBondContact O-N 3.02Å; I342-E344 VanDerWaalsContact C-N 3.28Å; I342-N345 PolarHBondContact O-N 3Å; I342-T346 VanDerWaalsContact O-CB 3.27Å; I342-T346 WeakPolarHBondContact O-CB 3.29Å; I342-T346 PolarHBondContact O-N 3.42Å; I342-T346 PolarHBondContact O-OG1 2.94Å
343L95.7Very high95.1Very high71 Ų7177.1 Ų77.137%0.37238%0.383SS..Hα-helixtrans-62.4-40.6170-67.4172.9000110.8P338 D339 P340 T346 R347P338-L343 HydrophobicContact CB-CD2 4.39Å; P338-L343 HydrophobicContact CB-CG 4.33Å; P338-L343 HydrophobicContact CG-CD1 4.26Å; P338-L343 HydrophobicContact CG-CD2 3.42Å; P338-L343 VanDerWaalsContact CG-CD2 3.42Å; P338-L343 HydrophobicContact CG-CG 3.69Å; D339-L343 PolarHBondContact O-N 3.27Å; P340-L343 WeakPolarHBondContact O-CB 3.46Å; P340-L343 PolarHBondContact O-N 3.3Å; P340-L343 VanDerWaalsContact O-N 3.15Å; L343-T346 PolarHBondContact O-N 3.45Å; L343-R347 WeakPolarHBondContact O-CG 3.5Å; L343-R347 PolarHBondContact O-N 2.98Å
344E94.9Very high94.6Very high108 Ų10878.7 Ų78.751%0.50539%0.389SS..Hα-helixtrans-63.6-51174.7-175.3178.5-174.600112.3P340 K341 I342 T346 R347 R348P340-E344 PolarHBondContact O-N 2.98Å; K341-E344 WeakPolarHBondContact O-CB 3.31Å; K341-E344 PolarHBondContact O-N 3.5Å; I342-E344 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 2.97Å; E344-R347 WeakPolarHBondContact O-CB 3.32Å; E344-R347 PolarHBondContact O-N 3.28Å; E344-R348 WeakPolarHBondContact O-CG 3.47Å; E344-R348 PolarHBondContact O-N 3.43Å
345N95.6Very high93.8Very high11 Ų1179 Ų796%0.05939%0.385CS..Hα-helixtrans-53.5-42.3174-74-2.6000111.7P293 V294 K341 I342 R348 V349P293-N345 HydrophobicContact CB-CB 4.24Å; P293-N345 HydrophobicContact CG-CB 4.24Å; V294-N345 WeakPolarHBondContact O-CB 3.48Å; V294-N345 PolarHBondContact O-ND2 2.85Å; K341-N345 PolarHBondContact O-N 2.99Å; K341-N345 PolarHBondContact O-OD1 3.4Å; I342-N345 PolarHBondContact O-N 3Å; N345-R348 PolarHBondContact O-N 3.02Å; N345-V349 WeakPolarHBondContact O-CG2 3.43Å; N345-V349 PolarHBondContact O-N 2.98Å
346T95.9Very high93Very high13 Ų1381.7 Ų81.78%0.0840%0.401CS..Hα-helixtrans-63.8-42178.5-58.50000111.5N295 V296 I342 L343 E344 V349 Y350N295-T346 WeakPolarHBondContact CA-OG1 3.46Å; N295-T346 WeakPolarHBondContact CB-OG1 3.42Å; V296-T346 HydrophobicContact CG2-CG2 4.16Å; V296-T346 WeakPolarHBondContact CG2-OG1 3.3Å; V296-T346 PolarHBondContact N-OG1 2.93Å; V296-T346 VanDerWaalsContact N-OG1 3.12Å; I342-T346 VanDerWaalsContact O-CB 3.27Å; I342-T346 WeakPolarHBondContact O-CB 3.29Å; I342-T346 PolarHBondContact O-N 3.42Å; I342-T346 PolarHBondContact O-OG1 2.94Å; L343-T346 PolarHBondContact O-N 3.45Å; E344-T346 PolarHBondContact O-N 2.97Å; T346-V349 PolarHBondContact O-N 3.34Å; T346-Y350 HydrophobicContact CG2-CD2 3.83Å; T346-Y350 HydrophobicContact CG2-CE2 3.44Å; T346-Y350 VanDerWaalsContact CG2-CE2 3.44Å; T346-Y350 WeakPolarHBondContact O-CD2 3.24Å; T346-Y350 PolarHBondContact O-N 3.31Å
347R95.8Very high92Very high156 Ų15680.9 Ų80.959%0.58939%0.39SS*.Hα-helixtrans-63.1-45.6174.4-70.7175.3-165.4135.50.2111.7L343 E344 V349 Y350 K351L343-R347 WeakPolarHBondContact O-CG 3.5Å; L343-R347 PolarHBondContact O-N 2.98Å; E344-R347 WeakPolarHBondContact O-CB 3.32Å; E344-R347 PolarHBondContact O-N 3.28Å; R347-V349 VanDerWaalsContact C-N 3.31Å; R347-V349 PolarHBondContact O-N 3.45Å; R347-Y350 PolarHBondContact O-N 3.45Å; R347-Y350 VanDerWaalsContact O-N 3.15Å; R347-K351 WeakPolarHBondContact O-CG 3.46Å; R347-K351 PolarHBondContact O-N 3.4Å
348R93.4Very high91Very high87 Ų8777.9 Ų77.933%0.32838%0.382SS..Hα-helixtrans-56.5-46.2176.1-70.8175.458.3-160.5-2.5111.2E344 N345 Y350 K351 G352 E353E344-R348 WeakPolarHBondContact O-CG 3.47Å; E344-R348 PolarHBondContact O-N 3.43Å; N345-R348 PolarHBondContact O-N 3.02Å; R348-Y350 PolarHBondContact O-N 3.45Å; R348-K351 CarbonylContact O-C 3.59Å; R348-K351 PolarHBondContact O-N 3Å; R348-K351 VanDerWaalsContact O-N 3.15Å; R348-G352 PolarHBondContact O-N 2.9Å; R348-G352 VanDerWaalsContact O-N 3.15Å; R348-E353 HydrophobicContact CB-CB 4.13Å; R348-E353 WeakPolarHBondContact O-CB 3.24Å; R348-E353 PolarHBondContact O-N 3.02Å
349V94Very high90Very high21 Ų2180 Ų8013%0.12739%0.388CS..Hα-helixtrans-60.1-42.4176.2168.90000112.3K292 P293 N295 N345 T346 R347 K351 G352K292-V349 HydrophobicContact CB-CG2 3.97Å; K292-V349 HydrophobicContact CD-CG1 3.89Å; K292-V349 HydrophobicContact CG-CG1 4.46Å; K292-V349 HydrophobicContact CG-CG2 4.37Å; P293-V349 HydrophobicContact CG-CG2 3.8Å; N295-V349 HydrophobicContact CB-CG2 4.39Å; N345-V349 WeakPolarHBondContact O-CG2 3.43Å; N345-V349 PolarHBondContact O-N 2.98Å; T346-V349 PolarHBondContact O-N 3.34Å; R347-V349 VanDerWaalsContact C-N 3.31Å; R347-V349 PolarHBondContact O-N 3.45Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.44Å; V349-G352 PolarHBondContact O-N 3.44Å; V349-G352 VanDerWaalsContact O-N 3.14Å
350Y92.1Very high88.7Confident164 Ų16480.2 Ų80.264%0.64339%0.389SS*.Hα-helixtrans-66.3-30.9176.7-78.2-56.8000113.5T346 R347 R348 G352T346-Y350 HydrophobicContact CG2-CD2 3.83Å; T346-Y350 HydrophobicContact CG2-CE2 3.44Å; T346-Y350 VanDerWaalsContact CG2-CE2 3.44Å; T346-Y350 WeakPolarHBondContact O-CD2 3.24Å; T346-Y350 PolarHBondContact O-N 3.31Å; R347-Y350 PolarHBondContact O-N 3.45Å; R347-Y350 VanDerWaalsContact O-N 3.15Å; R348-Y350 PolarHBondContact O-N 3.45Å; Y350-G352 VanDerWaalsContact C-N 3.26Å; Y350-G352 PolarHBondContact O-N 2.92Å
351K92.9Very high87.4Confident148 Ų14880.5 Ų80.564%0.64338%0.379SS*.THydrogen-bonded Turntrans-79.2-4.9173.6-66.9-177.2-179.1-176.70113.9R347 R348 V349 E353R347-K351 WeakPolarHBondContact O-CG 3.46Å; R347-K351 PolarHBondContact O-N 3.4Å; R348-K351 CarbonylContact O-C 3.59Å; R348-K351 PolarHBondContact O-N 3Å; R348-K351 VanDerWaalsContact O-N 3.15Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.44Å; K351-E353 VanDerWaalsContact C-N 3.3Å; K351-E353 HydrophobicContact CB-CG 3.79Å; K351-E353 WeakPolarHBondContact CD-OE1 3.33Å; K351-E353 IonicContact NZ-OE1 3.77Å
352G89.3Confident85.5Confident48 Ų4883.2 Ų83.250%0.49539%0.393SS..THydrogen-bonded Turntrans77.413.1-174.200000114.2R348 V349 Y350 F354R348-G352 PolarHBondContact O-N 2.9Å; R348-G352 VanDerWaalsContact O-N 3.15Å; V349-G352 PolarHBondContact O-N 3.44Å; V349-G352 VanDerWaalsContact O-N 3.14Å; Y350-G352 VanDerWaalsContact C-N 3.26Å; Y350-G352 PolarHBondContact O-N 2.92Å; G352-F354 VanDerWaalsContact C-N 3.28Å; G352-F354 PolarHBondContact O-N 3.39Å
353E89Confident83.1Confident94 Ų9490 Ų9044%0.43943%0.429SS..  trans-84.660.6-175.2-63.4170-176.800111.8R348 K351R348-E353 HydrophobicContact CB-CB 4.13Å; R348-E353 WeakPolarHBondContact O-CB 3.24Å; R348-E353 PolarHBondContact O-N 3.02Å; K351-E353 VanDerWaalsContact C-N 3.3Å; K351-E353 HydrophobicContact CB-CG 3.79Å; K351-E353 WeakPolarHBondContact CD-OE1 3.33Å; K351-E353 IonicContact NZ-OE1 3.77Å
354F85.3Confident80.5Confident48 Ų4891.9 Ų91.921%0.21145%0.446CS..SBendtrans-137.2152.4173.658-88.5000111I291 K292 G352 L356I291-F354 HydrophobicContact CD1-CD2 4.44Å; I291-F354 HydrophobicContact CD1-CE2 4.01Å; K292-F354 HydrophobicContact CD-CE1 4.43Å; K292-F354 HydrophobicContact CD-CZ 4.38Å; K292-F354 VanDerWaalsContact CE-CZ 3.47Å; K292-F354 HydrophobicContact CG-CD1 4.18Å; K292-F354 HydrophobicContact CG-CD2 3.94Å; K292-F354 HydrophobicContact CG-CE1 4.25Å; K292-F354 HydrophobicContact CG-CE2 4.03Å; K292-F354 HydrophobicContact CG-CG 4.04Å; K292-F354 HydrophobicContact CG-CZ 4.2Å; G352-F354 VanDerWaalsContact C-N 3.28Å; G352-F354 PolarHBondContact O-N 3.39Å; F354-L356 HydrophobicContact CE2-CD2 4.05Å; F354-L356 HydrophobicContact CE2-CG 4.45Å; F354-L356 PolarHBondContact O-N 3.12Å
355Q78.8Confident78Confident152 Ų15294.9 Ų94.971%0.7146%0.46SS*.PPolyproline II helixtrans-77.3123.8-179.7-67.2-177.2-0.300110
356L80.4Confident75.2Confident81 Ų81100.6 Ų100.642%0.42450%0.495SS..PPolyproline II helixtrans-77.4129.3164.7-73166.8000108.2I291 F354 K361I291-L356 HydrophobicContact CD1-CD2 3.68Å; F354-L356 HydrophobicContact CE2-CD2 4.05Å; F354-L356 HydrophobicContact CE2-CG 4.45Å; F354-L356 PolarHBondContact O-N 3.12Å; L356-K361 HydrophobicContact CB-CG 4.09Å; L356-K361 WeakPolarHBondContact O-CE 3.42Å
357P77.5Confident72.5Confident17 Ų17109.4 Ų109.411%0.1154%0.536CS..PPolyproline II helixtrans-59.1147.4167.7-2232.1000111.1I272 I291 F359 L360 K361I272-P357 HydrophobicContact CB-CG 4.4Å; I272-P357 HydrophobicContact CD1-CG 4.46Å; I272-P357 HydrophobicContact CG2-CB 4.04Å; I272-P357 HydrophobicContact CG2-CG 3.62Å; I291-P357 HydrophobicContact CB-CG 4.29Å; I291-P357 HydrophobicContact CG2-CG 3.54Å; P357-F359 VanDerWaalsContact C-N 3.26Å; P357-F359 HydrophobicContact CB-CD1 3.59Å; P357-F359 HydrophobicContact CB-CE1 3.22Å; P357-F359 HydrophobicContact CB-CG 4.41Å; P357-F359 HydrophobicContact CB-CZ 3.78Å; P357-F359 HydrophobicContact CG-CE1 3.92Å; P357-F359 HydrophobicContact CG-CZ 4.05Å; P357-F359 PolarHBondContact O-N 3.49Å; P357-L360 HydrophobicContact CG-CD1 4.42Å; P357-L360 PolarHBondContact O-N 3.26Å; P357-K361 PolarHBondContact O-N 3.49Å
358D76.7Confident69.7Low113 Ų113110.9 Ų110.960%0.60455%0.549SS*.Hα-helixtrans-57.1-38.5-174.7-63.6-33.9000112.7L360 K361D358-L360 PolarHBondContact O-N 3.45Å; D358-L360 VanDerWaalsContact O-N 3.1Å; D358-K361 WeakPolarHBondContact O-CB 3.4Å; D358-K361 PolarHBondContact O-N 3.48Å; D358-K361 IonicContact OD1-NZ 2.78Å; D358-K361 PolarHBondContact OD1-NZ 3.48Å
359F75.6Confident67Low78 Ų78113.3 Ų113.334%0.34257%0.573SS.*Hα-helixtrans-65.8-12.5176.970.3-96.1000114.8I272 L280 K282 T287 P357I272-F359 HydrophobicContact CG2-CE1 4.21Å; L280-F359 HydrophobicContact CB-CZ 4Å; L280-F359 HydrophobicContact CD1-CZ 4.37Å; K282-F359 HydrophobicContact CB-CD2 4.44Å; T287-F359 HydrophobicContact CG2-CE2 4.22Å; T287-F359 HydrophobicContact CG2-CZ 4.44Å; P357-F359 VanDerWaalsContact C-N 3.26Å; P357-F359 HydrophobicContact CB-CD1 3.59Å; P357-F359 HydrophobicContact CB-CE1 3.22Å; P357-F359 HydrophobicContact CB-CG 4.41Å; P357-F359 HydrophobicContact CB-CZ 3.78Å; P357-F359 HydrophobicContact CG-CE1 3.92Å; P357-F359 HydrophobicContact CG-CZ 4.05Å; P357-F359 PolarHBondContact O-N 3.49Å
360L70.4Confident64.2Low56 Ų56124.9 Ų124.929%0.29363%0.626SS.*Hα-helixtrans-100-12.2171.7-66.6-178.3000112.8T287 I291 P357 D358 E362T287-L360 HydrophobicContact CG2-CD1 4.38Å; I291-L360 HydrophobicContact CD1-CD1 3.94Å; I291-L360 HydrophobicContact CG2-CD1 3.98Å; P357-L360 HydrophobicContact CG-CD1 4.42Å; P357-L360 PolarHBondContact O-N 3.26Å; D358-L360 PolarHBondContact O-N 3.45Å; D358-L360 VanDerWaalsContact O-N 3.1Å; L360-E362 VanDerWaalsContact C-N 3.34Å
361K69.9Low62.8Low116 Ų116123 Ų12350%0.50463%0.625SS.*Hα-helixtrans-75.4-25174.9-63.7178.5-172.3157.60112.1L356 P357 D358 N363L356-K361 HydrophobicContact CB-CG 4.09Å; L356-K361 WeakPolarHBondContact O-CE 3.42Å; P357-K361 PolarHBondContact O-N 3.49Å; D358-K361 WeakPolarHBondContact O-CB 3.4Å; D358-K361 PolarHBondContact O-N 3.48Å; D358-K361 IonicContact OD1-NZ 2.78Å; D358-K361 PolarHBondContact OD1-NZ 3.48Å; K361-N363 PolarHBondContact O-N 3.02Å; K361-N363 VanDerWaalsContact O-N 3.14Å
362E55.8Low61.2Low159 Ų159121.6 Ų121.674%0.74362%0.624SS**THydrogen-bonded Turntrans-76.310.6-175.3-67.6-175.5167.900115.7L360 P364L360-E362 VanDerWaalsContact C-N 3.34Å; E362-P364 WeakPolarHBondContact O-CD 3.47Å
363N45.9Very low59.7Low149 Ų149125.7 Ų125.780%0.79763%0.632SS**  trans-111.571.4170.7-93.3-7.5000113.9K361K361-N363 PolarHBondContact O-N 3.02Å; K361-N363 VanDerWaalsContact O-N 3.14Å
364P40.8Very low58Low110 Ų110127.6 Ų127.671%0.71464%0.643SS**  trans-100.218.7162.128.4-16.6000114.6E362E362-P364 WeakPolarHBondContact O-CD 3.47Å
365Q43Very low56.3Low172 Ų172132.6 Ų132.680%0.80467%0.67SS**  trans-141.394.1179.7-70.5-172.9-11.900113.9
366T37.4Very low54.8Low131 Ų131131.3 Ų131.380%0.80467%0.667SS**  trans-175.857.6138.619.60000109.8
367E38.5Very low52.9Low198 Ų198134.9 Ų134.993%0.92569%0.685SS**SBendtrans-123.755.6156.9-83.4-170.9172.100108.5
368Q37.5Very low51Low186 Ų186143.9 Ų143.987%0.86973%0.729SS**  trans-150.591.8154.2-73.3-164.5-15.700106.9
369V37.3Very low48.9Very low138 Ų138146.5 Ų146.584%0.83674%0.739SS**  trans-132.2124.4151.7-177.30000104.8
370E34.7Very low46.5Very low265 Ų265152.7 Ų152.7100%1.23878%0.775SS**  trans-48.20-179.6-67.7173.3138.100114.9

Retrieved 370 of 370 residues in 146.9 ms (Link to these results)

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