A0A087XQG1_POEFO Loading...

Glutamate carboxypeptidase 2

Also exhibits a dipeptidyl-peptidase IV type activity. In vitro, cleaves Gly-Pro-AMC. Has both folate hydrolase and N-acetylated-alpha-linked-acidic dipeptidase (NAALADase) activity. Has a preference for tri-alpha-glutamate peptides. In the intestine, required for the uptake of folate. In the brain, modulates excitatory neurotransmission through the hydrolysis of the neuropeptide, N-aceylaspartylglutamate (NAAG), thereby releasing glutamate.

AlphaFold DB , UniProt , Accession A0A087XQG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 739 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
1M48.8Very low65.1Low224 Ų224159.1 Ų159.1100%1.10372%0.716SS**  022.60-86.317564.300116.3
2K54.4Low66.6Low194 Ų194160.8 Ų160.884%0.84371%0.713SS**  trans-119.20.5175.9-87.8-176177.5177.50115.7
3R52.5Low68Low231 Ų231161.2 Ų161.287%0.87271%0.707SS**SBendtrans-98.6-31.5-179.6-118.7178.2179.8-178.6-0.7113.6S5R3-S5 PolarHBondContact O-N 3.35Å
4E53.6Low69.4Low150 Ų150155.4 Ų155.470%0.70169%0.691SS**Hα-helixtrans-70.1-28.9179.8-72.9174.2150.100113.4R6 L7 V8E4-R6 VanDerWaalsContact C-N 3.31Å; E4-R6 PolarHBondContact O-N 3.47Å; E4-L7 PolarHBondContact O-N 3.36Å; E4-V8 WeakPolarHBondContact O-CG2 3.43Å; E4-V8 PolarHBondContact O-N 3.48Å
5S59.6Low70.7Confident81 Ų81151.2 Ų151.257%0.56668%0.682SS**Hα-helixtrans-73.7-19.7-177.495.70000114.1R3R3-S5 PolarHBondContact O-N 3.35Å
6R64.5Low71.9Confident191 Ų191144.8 Ų144.872%0.72166%0.658SS**Hα-helixtrans-81.6-40.3176.1-80-173.1175.1-174.3-1.7111.4E4 R9 W10E4-R6 VanDerWaalsContact C-N 3.31Å; E4-R6 PolarHBondContact O-N 3.47Å; R6-R9 PolarHBondContact O-N 3.23Å; R6-W10 VanDerWaalsContact O-CD1 3.28Å; R6-W10 PolarHBondContact O-N 3.37Å
7L71.6Confident73.1Confident119 Ų119141.1 Ų141.162%0.62365%0.649SS**Hα-helixtrans-63.7-44.3179.9-161.781.5000111.2E4 R9 W10 I11E4-L7 PolarHBondContact O-N 3.36Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.25Å; L7-W10 PolarHBondContact O-N 2.97Å; L7-I11 HydrophobicContact CD2-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 2.99Å
8V74.2Confident74.1Confident88 Ų88137.1 Ų137.153%0.53364%0.636SS.*Hα-helixtrans-61.6-38.4176.6176.60000111.5E4 W12E4-V8 WeakPolarHBondContact O-CG2 3.43Å; E4-V8 PolarHBondContact O-N 3.48Å; V8-W12 WeakPolarHBondContact O-CB 3.3Å; V8-W12 PolarHBondContact O-N 3.44Å
9R75.1Confident74.9Confident184 Ų184132.8 Ų132.869%0.69463%0.627SS**Hα-helixtrans-68-39.6177.5-131.8177-175.5179.10.7112.3R6 L7 W12 W13R6-R9 PolarHBondContact O-N 3.23Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.25Å; R9-W12 PolarHBondContact O-N 3Å; R9-W13 VanDerWaalsContact O-CD1 3.27Å; R9-W13 PolarHBondContact O-N 2.91Å
10W79.9Confident75.7Confident191 Ų191131.8 Ų131.872%0.72363%0.625SS**Hα-helixtrans-65.6-45175.8-89.693.7000111.7R6 L7 W12 W13 T14R6-W10 VanDerWaalsContact O-CD1 3.28Å; R6-W10 PolarHBondContact O-N 3.37Å; L7-W10 PolarHBondContact O-N 2.97Å; W10-W12 VanDerWaalsContact C-N 3.3Å; W10-W12 PolarHBondContact O-N 3.4Å; W10-W13 PolarHBondContact O-N 2.92Å; W10-T14 PolarHBondContact O-N 3.47Å; W10-T14 PolarHBondContact O-OG1 3.02Å
11I81.6Confident76.5Confident97 Ų97132.5 Ų132.550%0.49763%0.626SS.*Hα-helixtrans-59.6-43.4175.5-66.7166000110.6L7 W13 T14 V15L7-I11 HydrophobicContact CD2-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 2.99Å; I11-W13 PolarHBondContact O-N 2.98Å; I11-T14 PolarHBondContact O-N 3.22Å; I11-V15 HydrophobicContact CG2-CG2 4.48Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.48Å
12W83.3Confident78.4Confident179 Ų179126.3 Ų126.368%0.67860%0.597SS**Hα-helixtrans-60.6-45176.4-118.689.2000112.6V8 R9 W10 V15 V16V8-W12 WeakPolarHBondContact O-CB 3.3Å; V8-W12 PolarHBondContact O-N 3.44Å; R9-W12 PolarHBondContact O-N 3Å; W10-W12 VanDerWaalsContact C-N 3.3Å; W10-W12 PolarHBondContact O-N 3.4Å; W12-V15 PolarHBondContact O-N 2.95Å; W12-V16 HydrophobicContact CE3-CG2 3.64Å; W12-V16 HydrophobicContact CZ3-CG2 3.72Å; W12-V16 WeakPolarHBondContact O-CG2 3.3Å; W12-V16 PolarHBondContact O-N 3.3Å
13W85.7Confident80Confident167 Ų167122 Ų12263%0.63358%0.583SS**Hα-helixtrans-64.3-40.7176.5-89.6104.2000112.4R9 W10 I11 V15 V16 V17R9-W13 VanDerWaalsContact O-CD1 3.27Å; R9-W13 PolarHBondContact O-N 2.91Å; W10-W13 PolarHBondContact O-N 2.92Å; I11-W13 PolarHBondContact O-N 2.98Å; W13-V15 VanDerWaalsContact C-N 3.34Å; W13-V15 PolarHBondContact O-N 3.35Å; W13-V16 PolarHBondContact O-N 2.94Å; W13-V17 HydrophobicContact CE3-CG2 4.36Å; W13-V17 WeakPolarHBondContact O-CB 3.32Å; W13-V17 VanDerWaalsContact O-CG2 3.24Å; W13-V17 WeakPolarHBondContact O-CG2 3.24Å; W13-V17 PolarHBondContact O-N 3.39Å
14T86.3Confident81.5Confident80 Ų80113 Ų11349%0.49156%0.562SS.*Hα-helixtrans-63.5-41.2176.2-490000111.4W10 I11 T18W10-T14 PolarHBondContact O-N 3.47Å; W10-T14 PolarHBondContact O-OG1 3.02Å; I11-T14 PolarHBondContact O-N 3.22Å; T14-T18 VanDerWaalsContact O-CB 3.3Å; T14-T18 WeakPolarHBondContact O-CB 3.42Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 2.88Å
15V89.8Confident82.9Confident92 Ų92111 Ų11156%0.55855%0.551SS**Hα-helixtrans-64.4-45.2176.9171.30000111.2I11 W12 W13 T18 A19I11-V15 HydrophobicContact CG2-CG2 4.48Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.46Å; I11-V15 PolarHBondContact O-N 3.48Å; W12-V15 PolarHBondContact O-N 2.95Å; W13-V15 VanDerWaalsContact C-N 3.34Å; W13-V15 PolarHBondContact O-N 3.35Å; V15-T18 PolarHBondContact O-N 2.64Å; V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.39Å
16V90.3Very high83.7Confident49 Ų49110 Ų11030%0.29754%0.543SS..Hα-helixtrans-63.9-45.3178.6171.10000111.5W12 W13 T18 A19 L20W12-V16 HydrophobicContact CE3-CG2 3.64Å; W12-V16 HydrophobicContact CZ3-CG2 3.72Å; W12-V16 WeakPolarHBondContact O-CG2 3.3Å; W12-V16 PolarHBondContact O-N 3.3Å; W13-V16 PolarHBondContact O-N 2.94Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-T18 PolarHBondContact O-N 2.92Å; V16-A19 PolarHBondContact O-N 2.93Å; V16-L20 HydrophobicContact CG1-CD1 3.98Å; V16-L20 HydrophobicContact CG1-CG 4.5Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.37Å
17V91.6Very high84.4Confident82 Ų82106.1 Ų106.150%0.49754%0.535SS..Hα-helixtrans-64.5-40.6178.6171.90000111W13 L20 F21W13-V17 HydrophobicContact CE3-CG2 4.36Å; W13-V17 WeakPolarHBondContact O-CB 3.32Å; W13-V17 VanDerWaalsContact O-CG2 3.24Å; W13-V17 WeakPolarHBondContact O-CG2 3.24Å; W13-V17 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 2.88Å; V17-F21 WeakPolarHBondContact O-CB 3.35Å; V17-F21 PolarHBondContact O-N 2.87Å
18T91.2Very high84.5Confident68 Ų68102.6 Ų102.642%0.41753%0.528SS..Hα-helixtrans-66.8-40.4177.3-51.20000111.2T14 V15 V16 F21 L22T14-T18 VanDerWaalsContact O-CB 3.3Å; T14-T18 WeakPolarHBondContact O-CB 3.42Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 2.88Å; V15-T18 PolarHBondContact O-N 2.64Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-T18 PolarHBondContact O-N 2.92Å; T18-F21 PolarHBondContact O-N 3.41Å; T18-L22 HydrophobicContact CG2-CD1 4.08Å; T18-L22 HydrophobicContact CG2-CG 4.46Å; T18-L22 WeakPolarHBondContact O-CB 3.49Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.33Å; T18-L22 PolarHBondContact O-N 3.32Å
19A90.2Very high84.2Confident56 Ų56105.2 Ų105.246%0.46353%0.528SS..Hα-helixtrans-64.2-42.5175.800000112V15 V16 L22 L23V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.39Å; V16-A19 PolarHBondContact O-N 2.93Å; A19-L22 PolarHBondContact O-N 2.88Å; A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 PolarHBondContact O-N 3.45Å
20L90.5Very high83.7Confident112 Ų112104.5 Ų104.559%0.58653%0.531SS*.Hα-helixtrans-66.6-38.6175.6-72.2171.4000112.1V16 V17 L23 G24V16-L20 HydrophobicContact CG1-CD1 3.98Å; V16-L20 HydrophobicContact CG1-CG 4.5Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.37Å; V17-L20 PolarHBondContact O-N 2.88Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-G24 PolarHBondContact O-N 3.39Å
21F92.3Very high82.4Confident147 Ų14799.4 Ų99.465%0.64552%0.524SS*.Hα-helixtrans-65.1-44.8175-178.4-95.9000111.7V17 T18 G24 F25V17-F21 WeakPolarHBondContact O-CB 3.35Å; V17-F21 PolarHBondContact O-N 2.87Å; T18-F21 PolarHBondContact O-N 3.41Å; F21-G24 PolarHBondContact O-N 2.79Å; F21-F25 VanDerWaalsContact O-CB 3.29Å; F21-F25 WeakPolarHBondContact O-CB 3.34Å; F21-F25 PolarHBondContact O-N 2.82Å
22L88.3Confident80.4Confident94 Ų94102.1 Ų102.149%0.49253%0.532SS..Hα-helixtrans-66.4-37.8176.4-72.1171000111.9T18 A19 F25 C26T18-L22 HydrophobicContact CG2-CD1 4.08Å; T18-L22 HydrophobicContact CG2-CG 4.46Å; T18-L22 WeakPolarHBondContact O-CB 3.49Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.33Å; T18-L22 PolarHBondContact O-N 3.32Å; A19-L22 PolarHBondContact O-N 2.88Å; L22-F25 PolarHBondContact O-N 3.26Å; L22-C26 WeakPolarHBondContact O-CB 3.29Å; L22-C26 PolarHBondContact O-N 3.46Å; L22-C26 PolarHBondContact O-SG 2.74Å
23L88.7Confident78.6Confident105 Ų105103.3 Ų103.355%0.5554%0.537SS..Hα-helixtrans-63.8-46.2173.6-167.578.9000110.9A19 L20 F25 C26 I27A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 2.88Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.86Å; L23-C26 PolarHBondContact O-N 3.35Å; L23-I27 HydrophobicContact CD2-CD1 4.45Å; L23-I27 HydrophobicContact CG-CD1 4.06Å; L23-I27 WeakPolarHBondContact O-CB 3.44Å; L23-I27 WeakPolarHBondContact O-CD1 2.92Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 3.29Å
24G82.8Confident76.4Confident42 Ų42100.6 Ų100.643%0.43354%0.543SS..Hα-helixtrans-62.8-38.717500000112.8L20 F21 G28L20-G24 PolarHBondContact O-N 3.39Å; F21-G24 PolarHBondContact O-N 2.79Å; G24-G28 PolarHBondContact O-N 3.49Å
25F82.6Confident74.1Confident107 Ų107105.8 Ų105.847%0.46956%0.559SS.*Hα-helixtrans-66.6-44.4174.6-177.1-93.7000111.6F21 L22 L23 G28 W29F21-F25 VanDerWaalsContact O-CB 3.29Å; F21-F25 WeakPolarHBondContact O-CB 3.34Å; F21-F25 PolarHBondContact O-N 2.82Å; L22-F25 PolarHBondContact O-N 3.26Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.86Å; F25-G28 PolarHBondContact O-N 2.86Å; F25-W29 HydrophobicContact CE1-CB 4.34Å; F25-W29 HydrophobicContact CE1-CD2 4.3Å; F25-W29 HydrophobicContact CE1-CE3 4.02Å; F25-W29 HydrophobicContact CE1-CG 4.45Å; F25-W29 HydrophobicContact CE2-CE3 4.29Å; F25-W29 HydrophobicContact CZ-CD2 4.29Å; F25-W29 AromaticContact CZ-CE3 3.56Å; F25-W29 HydrophobicContact CZ-CE3 3.56Å; F25-W29 HydrophobicContact CZ-CZ3 4.02Å; F25-W29 WeakPolarHBondContact O-CB 3.45Å; F25-W29 PolarHBondContact O-N 3.34Å
26C77.4Confident71.8Confident59 Ų59103.9 Ų103.940%0.39955%0.553SS.*Hα-helixtrans-63.2-44.1175.1-74.50000111.3L22 L23 G28 W29 F30L22-C26 WeakPolarHBondContact O-CB 3.29Å; L22-C26 PolarHBondContact O-N 3.46Å; L22-C26 PolarHBondContact O-SG 2.74Å; L23-C26 PolarHBondContact O-N 3.35Å; C26-G28 VanDerWaalsContact C-N 3.35Å; C26-G28 PolarHBondContact O-N 2.87Å; C26-W29 PolarHBondContact O-N 3.34Å; C26-F30 HydrophobicContact CB-CD2 4.38Å; C26-F30 WeakPolarHBondContact O-CB 3.48Å; C26-F30 WeakPolarHBondContact O-CD2 3.2Å; C26-F30 PolarHBondContact O-N 3.47Å
27I78.8Confident69.4Low110 Ų110105.5 Ų105.556%0.56456%0.563SS**Hα-helixtrans-59.8-46.3174.2-68.2164.3000109.9L23 S31L23-I27 HydrophobicContact CD2-CD1 4.45Å; L23-I27 HydrophobicContact CG-CD1 4.06Å; L23-I27 WeakPolarHBondContact O-CB 3.44Å; L23-I27 WeakPolarHBondContact O-CD1 2.92Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 3.29Å; I27-S31 WeakPolarHBondContact O-CA 3.13Å; I27-S31 WeakPolarHBondContact O-CB 3.21Å; I27-S31 PolarHBondContact O-N 2.84Å
28G73Confident66.7Low45 Ų45105.8 Ų105.846%0.46457%0.574SS.*Hα-helixtrans-66.7-36.9177.500000114.2G24 F25 C26 K32G24-G28 PolarHBondContact O-N 3.49Å; F25-G28 PolarHBondContact O-N 2.86Å; C26-G28 VanDerWaalsContact C-N 3.35Å; C26-G28 PolarHBondContact O-N 2.87Å; G28-K32 PolarHBondContact O-N 3.46Å
29W69.1Low64.2Low143 Ų143108 Ų10854%0.54258%0.583SS.*Hα-helixtrans-74.7-39.9-178.8-172.6-88.3000112.2F25 C26 K32F25-W29 HydrophobicContact CE1-CB 4.34Å; F25-W29 HydrophobicContact CE1-CD2 4.3Å; F25-W29 HydrophobicContact CE1-CE3 4.02Å; F25-W29 HydrophobicContact CE1-CG 4.45Å; F25-W29 HydrophobicContact CE2-CE3 4.29Å; F25-W29 HydrophobicContact CZ-CD2 4.29Å; F25-W29 AromaticContact CZ-CE3 3.56Å; F25-W29 HydrophobicContact CZ-CE3 3.56Å; F25-W29 HydrophobicContact CZ-CZ3 4.02Å; F25-W29 WeakPolarHBondContact O-CB 3.45Å; F25-W29 PolarHBondContact O-N 3.34Å; C26-W29 PolarHBondContact O-N 3.34Å; W29-K32 WeakPolarHBondContact O-CB 3.45Å; W29-K32 PolarHBondContact O-N 3.42Å
30F64.3Low62.2Low170 Ų170110.1 Ų110.175%0.74659%0.587SS**Hα-helixtrans-83.9-14.5173.9-70.1-70.8000113C26 K32C26-F30 HydrophobicContact CB-CD2 4.38Å; C26-F30 WeakPolarHBondContact O-CB 3.48Å; C26-F30 WeakPolarHBondContact O-CD2 3.2Å; C26-F30 PolarHBondContact O-N 3.47Å; F30-K32 VanDerWaalsContact C-N 3.26Å
31S51.7Low60.2Low84 Ų84110.9 Ų110.959%0.58759%0.587SS**THydrogen-bonded Turntrans-82.54.5166.8-175.90000113.1I27 R33I27-S31 WeakPolarHBondContact O-CA 3.13Å; I27-S31 WeakPolarHBondContact O-CB 3.21Å; I27-S31 PolarHBondContact O-N 2.84Å; S31-R33 PolarHBondContact O-N 2.9Å
32K40Very low58.4Low153 Ų153111.8 Ų111.867%0.66559%0.591SS**  trans-58.1107.4170.4-110.9179175.9172.50108.9G28 W29 F30 S34G28-K32 PolarHBondContact O-N 3.46Å; W29-K32 WeakPolarHBondContact O-CB 3.45Å; W29-K32 PolarHBondContact O-N 3.42Å; F30-K32 VanDerWaalsContact C-N 3.26Å; K32-S34 PolarHBondContact O-N 3.28Å
33R46.5Very low57.1Low205 Ų205110 Ų11077%0.77458%0.584SS**  trans-51.2126.4171.3-78.9178.4173.9173.3-1.7109S31 K35S31-R33 PolarHBondContact O-N 2.9Å; R33-K35 PolarHBondContact O-N 3.18Å
34S38.5Very low56.1Low110 Ų110106.1 Ų106.177%0.76957%0.565SS**  trans-48.3122.7157.4176.60000107.8K32 A36K32-S34 PolarHBondContact O-N 3.28Å; S34-A36 PolarHBondContact O-N 3.17Å
35K37.8Very low55.8Low188 Ų188107.2 Ų107.282%0.81757%0.566SS**  trans-55.3111.1172.6-82.8-179.7171.8-177.10107.9R33 T37R33-K35 PolarHBondContact O-N 3.18Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 2.9Å; K35-T37 VanDerWaalsContact O-N 3.16Å
36A41.9Very low56.2Low52 Ų52108.2 Ų108.243%0.4357%0.57SS.*  trans-88.260.7-17800000110.5S34S34-A36 PolarHBondContact O-N 3.17Å
37T40.1Very low57Low83 Ų83108 Ų10851%0.50956%0.562SS.*  trans-105.4129.6179.349.30000111.3K35 N39K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 2.9Å; K35-T37 VanDerWaalsContact O-N 3.16Å; T37-N39 PolarHBondContact O-N 3.38Å
38A35.8Very low57.8Low88 Ų88103 Ų10373%0.72754%0.536SS*.SBendtrans53.3-26.3166.600000119.7N40A38-N40 VanDerWaalsContact C-N 3.35Å
39N38.3Very low58.8Low116 Ų116104.2 Ų104.262%0.6253%0.534SS*.Hα-helixtrans-71.9-26.1176.7-93.7-11.7000112.7T37 H41 K42 T43T37-N39 PolarHBondContact O-N 3.38Å; N39-H41 PolarHBondContact O-N 3.38Å; N39-K42 PolarHBondContact O-N 2.91Å; N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 PolarHBondContact O-N 3.02Å; N39-T43 PolarHBondContact O-OG1 3.16Å
40N47.2Very low60.1Low100 Ų10099.7 Ų99.754%0.53552%0.519SS..Hα-helixtrans-65.1-34.2-175.6-82.8-5.2000114A38 T43 S44A38-N40 VanDerWaalsContact C-N 3.35Å; N40-T43 PolarHBondContact O-N 3.24Å; N40-S44 VanDerWaalsContact O-CB 3.31Å; N40-S44 WeakPolarHBondContact O-CB 3.44Å; N40-S44 PolarHBondContact O-N 3.38Å
41H48.6Very low61.8Low127 Ų12791.7 Ų91.759%0.58848%0.484SS*.Hα-helixtrans-69.3-41.1176.9-86.3-61.8000112.4N39 T43 S45N39-H41 PolarHBondContact O-N 3.38Å; H41-T43 VanDerWaalsContact C-N 3.34Å; H41-S45 WeakPolarHBondContact O-CB 3.2Å; H41-S45 PolarHBondContact O-N 3.48Å; H41-S45 VanDerWaalsContact O-N 3.09Å
42K54.2Low64Low166 Ų16688.2 Ų88.272%0.72246%0.459SS*.Hα-helixtrans-66.6-37.5174.5-72.9-175177.8-179.40111.7N39 K46N39-K42 PolarHBondContact O-N 2.91Å; K42-K46 WeakPolarHBondContact O-CB 3.37Å; K42-K46 PolarHBondContact O-N 2.79Å; K42-K46 VanDerWaalsContact O-N 3.1Å
43T61.2Low66.7Low57 Ų5785.4 Ų85.435%0.3545%0.451SS..Hα-helixtrans-72.2-41.6178.7-60.50000112.7N39 N40 H41 K46 Y47N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 PolarHBondContact O-N 3.02Å; N39-T43 PolarHBondContact O-OG1 3.16Å; N40-T43 PolarHBondContact O-N 3.24Å; H41-T43 VanDerWaalsContact C-N 3.34Å; T43-K46 PolarHBondContact O-N 2.88Å; T43-Y47 HydrophobicContact CG2-CD2 3.76Å; T43-Y47 HydrophobicContact CG2-CE2 3.4Å; T43-Y47 VanDerWaalsContact CG2-CE2 3.4Å; T43-Y47 WeakPolarHBondContact O-CD2 3.37Å; T43-Y47 PolarHBondContact O-N 3.38Å
44S68.9Low69.1Low23 Ų2377.7 Ų77.716%0.16142%0.424CS..Hα-helixtrans-67-41.4176.6-1750000111.7N40 K46 Y47 L48 D578N40-S44 VanDerWaalsContact O-CB 3.31Å; N40-S44 WeakPolarHBondContact O-CB 3.44Å; N40-S44 PolarHBondContact O-N 3.38Å; S44-K46 VanDerWaalsContact C-N 3.33Å; S44-K46 PolarHBondContact O-N 3.46Å; S44-Y47 PolarHBondContact O-N 3.06Å; S44-L48 PolarHBondContact O-N 3.04Å; S44-D578 WeakPolarHBondContact CB-OD2 3.33Å; S44-D578 PolarHBondContact OG-OD2 3.21Å
45S76.8Confident72Confident65 Ų6572.5 Ų72.546%0.45539%0.387SS..Hα-helixtrans-61.1-39.7173174.10000112.3H41 L48 V49H41-S45 WeakPolarHBondContact O-CB 3.2Å; H41-S45 PolarHBondContact O-N 3.48Å; H41-S45 VanDerWaalsContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 2.86Å; S45-V49 WeakPolarHBondContact O-CG2 3.3Å; S45-V49 PolarHBondContact O-N 3.02Å
46K89.5Confident74.9Confident128 Ų12869.3 Ų69.356%0.55737%0.37SS*.Hα-helixtrans-62.2-47.4173.7178.6-179.2170.5-179.10112K42 T43 S44 L48 V49 E50K42-K46 WeakPolarHBondContact O-CB 3.37Å; K42-K46 PolarHBondContact O-N 2.79Å; K42-K46 VanDerWaalsContact O-N 3.1Å; T43-K46 PolarHBondContact O-N 2.88Å; S44-K46 VanDerWaalsContact C-N 3.33Å; S44-K46 PolarHBondContact O-N 3.46Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.09Å; K46-V49 PolarHBondContact O-N 3.14Å; K46-E50 WeakPolarHBondContact CE-OE1 3.34Å; K46-E50 IonicContact NZ-OE1 3.18Å; K46-E50 PolarHBondContact O-N 2.91Å
47Y93.9Very high77.6Confident54 Ų5468.1 Ų68.121%0.21236%0.358CS..Hα-helixtrans-65.6-34.9178.9-76.5-55.7000112.6T43 S44 E50 F51 L394 W399T43-Y47 HydrophobicContact CG2-CD2 3.76Å; T43-Y47 HydrophobicContact CG2-CE2 3.4Å; T43-Y47 VanDerWaalsContact CG2-CE2 3.4Å; T43-Y47 WeakPolarHBondContact O-CD2 3.37Å; T43-Y47 PolarHBondContact O-N 3.38Å; S44-Y47 PolarHBondContact O-N 3.06Å; Y47-E50 PolarHBondContact O-N 2.71Å; Y47-F51 WeakPolarHBondContact O-CB 3.44Å; Y47-F51 PolarHBondContact O-N 3.07Å; Y47-L394 HydrophobicContact CD1-CD2 4.21Å; Y47-L394 WeakPolarHBondContact O-CD2 3.48Å; Y47-W399 HydrophobicContact CD1-CB 3.91Å; Y47-W399 HydrophobicContact CD1-CG 4.29Å; Y47-W399 HydrophobicContact CD2-CB 4.44Å; Y47-W399 AromaticContact CD2-CD1 3.65Å; Y47-W399 HydrophobicContact CD2-CG 4.38Å; Y47-W399 HydrophobicContact CE1-CB 3.79Å; Y47-W399 HydrophobicContact CE2-CB 4.31Å; Y47-W399 HydrophobicContact CG-CB 4.25Å; Y47-W399 AromaticContact CG-CD1 3.72Å; Y47-W399 HydrophobicContact CG-CG 4.2Å
48L95.7Very high80.3Confident5 Ų567.6 Ų67.63%0.02635%0.352CS..Hα-helixtrans-59.1-49.3173.5177.363.5000110.9S44 S45 K46 E50 F51 L52 F574 L575S44-L48 PolarHBondContact O-N 3.04Å; S45-L48 PolarHBondContact O-N 2.86Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.09Å; L48-E50 PolarHBondContact O-N 3.16Å; L48-F51 WeakPolarHBondContact O-CB 3.37Å; L48-F51 PolarHBondContact O-N 3.32Å; L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CD2 4.39Å; L48-L52 HydrophobicContact CD1-CG 3.99Å; L48-L52 HydrophobicContact CG-CD1 4.03Å; L48-L52 HydrophobicContact CG-CG 4.4Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.44Å; L48-F574 HydrophobicContact CB-CD1 3.99Å; L48-F574 HydrophobicContact CB-CE1 3.76Å; L48-F574 HydrophobicContact CB-CZ 4.34Å; L48-F574 HydrophobicContact CD1-CB 4.09Å; L48-F574 HydrophobicContact CD1-CD1 3.64Å; L48-F574 HydrophobicContact CD1-CE1 4.31Å; L48-F574 HydrophobicContact CD1-CG 3.9Å; L48-F574 HydrophobicContact CG-CD1 4.36Å; L48-L575 HydrophobicContact CD1-CG 4.48Å; L48-L575 HydrophobicContact CD2-CD1 4.33Å; L48-L575 HydrophobicContact CD2-CD2 3.91Å; L48-L575 HydrophobicContact CD2-CG 4.23Å
49V95.7Very high83.3Confident71 Ų7165.7 Ų65.743%0.4333%0.33SS..Hα-helixtrans-60.1-48.8178.2174.50000110.8S45 K46 F51 L52 D53S45-V49 WeakPolarHBondContact O-CG2 3.3Å; S45-V49 PolarHBondContact O-N 3.02Å; K46-V49 PolarHBondContact O-N 3.14Å; V49-F51 VanDerWaalsContact C-N 3.27Å; V49-F51 PolarHBondContact O-N 2.98Å; V49-L52 PolarHBondContact O-N 2.8Å; V49-D53 WeakPolarHBondContact CG1-OD2 3.16Å; V49-D53 WeakPolarHBondContact O-CB 3.41Å; V49-D53 PolarHBondContact O-N 3Å
50E96.3Very high86.2Confident49 Ų4960.2 Ų60.223%0.22930%0.3CS..Hα-helixtrans-58.4-39.1177.1-72.2-174.5-156.600112.6K46 Y47 L48 E54 R397K46-E50 WeakPolarHBondContact CE-OE1 3.34Å; K46-E50 IonicContact NZ-OE1 3.18Å; K46-E50 PolarHBondContact O-N 2.91Å; Y47-E50 PolarHBondContact O-N 2.71Å; L48-E50 PolarHBondContact O-N 3.16Å; E50-E54 WeakPolarHBondContact O-CB 3.13Å; E50-E54 PolarHBondContact O-N 3.4Å; E50-R397 IonicContact OE2-NH1 3.65Å; E50-R397 PolarHBondContact OE2-NH1 2.65Å
51F98.1Very high88.7Confident2 Ų259.2 Ų59.21%0.00929%0.289CS..Hα-helixtrans-66.1-44178.3176.5-111.9000112.7Y47 L48 V49 M55 T387 S390 A391 L394 G570 F574Y47-F51 WeakPolarHBondContact O-CB 3.44Å; Y47-F51 PolarHBondContact O-N 3.07Å; L48-F51 WeakPolarHBondContact O-CB 3.37Å; L48-F51 PolarHBondContact O-N 3.32Å; V49-F51 VanDerWaalsContact C-N 3.27Å; V49-F51 PolarHBondContact O-N 2.98Å; F51-M55 HydrophobicContact CD1-CE 3.96Å; F51-M55 HydrophobicContact CD2-CE 4.42Å; F51-M55 HydrophobicContact CE1-CE 3.43Å; F51-M55 VanDerWaalsContact CE1-CE 3.43Å; F51-M55 HydrophobicContact CE2-CE 3.95Å; F51-M55 HydrophobicContact CG-CE 4.43Å; F51-M55 HydrophobicContact CZ-CE 3.44Å; F51-M55 VanDerWaalsContact CZ-CE 3.44Å; F51-T387 HydrophobicContact CE2-CG2 4.46Å; F51-T387 HydrophobicContact CZ-CG2 3.72Å; F51-S390 WeakPolarHBondContact CD2-OG 3.26Å; F51-S390 PolarHBondContact O-OG 2.92Å; F51-A391 HydrophobicContact CE2-CB 3.93Å; F51-L394 HydrophobicContact CB-CD1 4.08Å; F51-L394 HydrophobicContact CB-CD2 3.67Å; F51-L394 HydrophobicContact CD2-CD1 4.29Å; F51-L394 HydrophobicContact CD2-CD2 4.32Å; F51-L394 HydrophobicContact CG-CD2 4.39Å; F51-G570 VanDerWaalsContact CE1-C 3.49Å; F51-G570 WeakPolarHBondContact CE1-O 3.34Å; F51-F574 HydrophobicContact CB-CD2 4.12Å; F51-F574 HydrophobicContact CB-CE2 4.23Å; F51-F574 HydrophobicContact CD1-CB 4.08Å; F51-F574 AromaticContact CD1-CD2 3.82Å; F51-F574 HydrophobicContact CD1-CD2 3.82Å; F51-F574 HydrophobicContact CD1-CG 4.21Å; F51-F574 HydrophobicContact CE1-CB 4.05Å; F51-F574 HydrophobicContact CE1-CD2 4.34Å; F51-F574 AromaticContact CG-CD2 3.9Å; F51-F574 HydrophobicContact CG-CD2 3.9Å; F51-F574 HydrophobicContact CG-CE2 4.44Å
52L98.3Very high91.1Very high10 Ų1056.9 Ų56.95%0.05228%0.281CS..Hα-helixtrans-72.6-37.1179.5-63-179.6000111.9L48 V49 M55 L466 I470 Q567L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CD2 4.39Å; L48-L52 HydrophobicContact CD1-CG 3.99Å; L48-L52 HydrophobicContact CG-CD1 4.03Å; L48-L52 HydrophobicContact CG-CG 4.4Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.44Å; V49-L52 PolarHBondContact O-N 2.8Å; L52-M55 PolarHBondContact O-N 3.22Å; L52-L466 HydrophobicContact CD1-CD1 4.37Å; L52-I470 HydrophobicContact CD1-CG1 4.48Å; L52-Q567 HydrophobicContact CB-CG 4.24Å; L52-Q567 HydrophobicContact CD2-CB 3.96Å; L52-Q567 HydrophobicContact CD2-CG 4.23Å; L52-Q567 VanDerWaalsContact CD2-O 3.24Å; L52-Q567 WeakPolarHBondContact CD2-O 3.35Å; L52-Q567 PolarHBondContact O-NE2 3.18Å
53D96.8Very high93.2Very high95 Ų9549.9 Ų49.951%0.50825%0.251SS..Hα-helixtrans-75-30.2-179.7-77-19.4000113V49 M55 R563V49-D53 WeakPolarHBondContact CG1-OD2 3.16Å; V49-D53 WeakPolarHBondContact O-CB 3.41Å; V49-D53 PolarHBondContact O-N 3Å; D53-M55 PolarHBondContact O-N 2.69Å; D53-R563 IonicContact OD1-NH2 3.78Å
54E98.1Very high95Very high43 Ų4347.2 Ų47.220%0.20123%0.234CC..THydrogen-bonded Turntrans-64.9-20175.5-18066.3-145.800112E50 R56 R389 K393 R397E50-E54 WeakPolarHBondContact O-CB 3.13Å; E50-E54 PolarHBondContact O-N 3.4Å; E54-R56 WeakPolarHBondContact O-CG 3.48Å; E54-R389 PolarHBondContact O-NH2 3.42Å; E54-R389 IonicContact OE1-CZ 3.59Å; E54-R389 IonicContact OE1-NH1 3.85Å; E54-R389 PolarHBondContact OE1-NH1 3.06Å; E54-R389 IonicContact OE1-NH2 3.35Å; E54-R389 PolarHBondContact OE1-NH2 3.29Å; E54-K393 HydrophobicContact CG-CB 4.08Å; E54-K393 HydrophobicContact CG-CG 4.09Å; E54-R397 IonicContact OE2-NH2 2.95Å
55M98.4Very high96.4Very high0 Ų050.1 Ų50.10%024%0.242CC..  trans-74.1126176.9-60-178.9-170.200112.1F51 L52 D53 E386 T387 R563 A566 Q567F51-M55 HydrophobicContact CD1-CE 3.96Å; F51-M55 HydrophobicContact CD2-CE 4.42Å; F51-M55 HydrophobicContact CE1-CE 3.43Å; F51-M55 VanDerWaalsContact CE1-CE 3.43Å; F51-M55 HydrophobicContact CE2-CE 3.95Å; F51-M55 HydrophobicContact CG-CE 4.43Å; F51-M55 HydrophobicContact CZ-CE 3.44Å; F51-M55 VanDerWaalsContact CZ-CE 3.44Å; L52-M55 PolarHBondContact O-N 3.22Å; D53-M55 PolarHBondContact O-N 2.69Å; M55-E386 WeakPolarHBondContact CA-OE1 3.42Å; M55-E386 HydrophobicContact CB-CG 4.24Å; M55-E386 HydrophobicContact CG-CG 4.42Å; M55-T387 HydrophobicContact CE-CG2 4.06Å; M55-R563 WeakPolarHBondContact O-CD 3.13Å; M55-R563 PolarHBondContact O-NE 3.16Å; M55-A566 VanDerWaalsContact SD-C 3.55Å; M55-A566 HydrophobicContact SD-CB 3.74Å; M55-Q567 HydrophobicContact SD-CG 4.13Å
56R98.3Very high97.4Very high122 Ų12248.9 Ų48.946%0.4623%0.228SC..  trans-118.7131.5-168.3-67.1-62.4-60.1-102.8-16.6113.5E54 D58 L59 I60 E386E54-R56 WeakPolarHBondContact O-CG 3.48Å; R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 WeakPolarHBondContact CB-OD1 3.47Å; R56-D58 IonicContact CZ-OD1 3.35Å; R56-D58 IonicContact NE-OD1 2.69Å; R56-D58 PolarHBondContact NE-OD1 2.68Å; R56-D58 IonicContact NH2-OD1 3.5Å; R56-D58 PolarHBondContact NH2-OD1 2.7Å; R56-D58 IonicContact NH2-OD2 3.99Å; R56-D58 PolarHBondContact O-N 3.48Å; R56-L59 HydrophobicContact CB-CB 4.15Å; R56-L59 HydrophobicContact CB-CD1 3.97Å; R56-L59 HydrophobicContact CB-CG 3.9Å; R56-L59 HydrophobicContact CG-CD1 4.24Å; R56-L59 PolarHBondContact O-N 2.72Å; R56-I60 WeakPolarHBondContact O-CG1 3.32Å; R56-I60 PolarHBondContact O-N 3.29Å; R56-I60 VanDerWaalsContact O-N 3.14Å; R56-E386 PolarHBondContact N-OE1 2.85Å
57P98.5Very high97.8Very high27 Ų2742.9 Ų42.918%0.17520%0.202CC..Hα-helixtrans-60.7-39.7178.3-20.432.9000112.8L59 I60 R61 T558 F559 R563P57-L59 PolarHBondContact O-N 3.43Å; P57-I60 PolarHBondContact O-N 2.87Å; P57-R61 WeakPolarHBondContact O-CB 3.42Å; P57-R61 PolarHBondContact O-N 3.29Å; P57-T558 WeakPolarHBondContact CB-O 3.47Å; P57-F559 HydrophobicContact CB-CB 3.77Å; P57-F559 WeakPolarHBondContact O-CB 3.49Å; P57-R563 HydrophobicContact CG-CB 4.25Å
58D98.6Very high98Very high71 Ų7140.3 Ų40.338%0.3819%0.192SC..Hα-helixtrans-61.9-40.3179.349.3-65000112.4R56 R61 D62R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 WeakPolarHBondContact CB-OD1 3.47Å; R56-D58 IonicContact CZ-OD1 3.35Å; R56-D58 IonicContact NE-OD1 2.69Å; R56-D58 PolarHBondContact NE-OD1 2.68Å; R56-D58 IonicContact NH2-OD1 3.5Å; R56-D58 PolarHBondContact NH2-OD1 2.7Å; R56-D58 IonicContact NH2-OD2 3.99Å; R56-D58 PolarHBondContact O-N 3.48Å; D58-R61 WeakPolarHBondContact O-CB 3.13Å; D58-R61 PolarHBondContact O-N 3.27Å; D58-D62 PolarHBondContact O-N 2.92Å
59L98.7Very high98.1Very high49 Ų4947.9 Ų47.926%0.25722%0.22SC..Hα-helixtrans-71.4-40.1176.7-62.5-178.3000112.2R56 P57 R61 D62 H63 E386R56-L59 HydrophobicContact CB-CB 4.15Å; R56-L59 HydrophobicContact CB-CD1 3.97Å; R56-L59 HydrophobicContact CB-CG 3.9Å; R56-L59 HydrophobicContact CG-CD1 4.24Å; R56-L59 PolarHBondContact O-N 2.72Å; P57-L59 PolarHBondContact O-N 3.43Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-D62 PolarHBondContact O-N 2.92Å; L59-H63 PolarHBondContact O-CD2 3.05Å; L59-H63 PolarHBondContact O-N 3.11Å; L59-E386 WeakPolarHBondContact CB-OE2 3.17Å
60I98.9Very high98.2Very high0 Ų047.7 Ų47.70%022%0.216CC..Hα-helixtrans-60.2-42.2175.1-63.6167.5000110.3R56 P57 H63 L64 A382 V383 E386 F559 L562 R563 A566R56-I60 WeakPolarHBondContact O-CG1 3.32Å; R56-I60 PolarHBondContact O-N 3.29Å; R56-I60 VanDerWaalsContact O-N 3.14Å; P57-I60 PolarHBondContact O-N 2.87Å; I60-H63 PolarHBondContact O-N 3.3Å; I60-L64 WeakPolarHBondContact O-CB 3.42Å; I60-L64 PolarHBondContact O-N 3.08Å; I60-A382 HydrophobicContact CG2-CB 4.22Å; I60-V383 HydrophobicContact CG2-CG2 4.31Å; I60-E386 HydrophobicContact CD1-CG 4.3Å; I60-E386 HydrophobicContact CG1-CB 3.79Å; I60-E386 HydrophobicContact CG1-CG 3.77Å; I60-F559 HydrophobicContact CG2-CD1 4.23Å; I60-L562 HydrophobicContact CG2-CB 3.99Å; I60-L562 HydrophobicContact CG2-CD2 3.83Å; I60-R563 HydrophobicContact CD1-CB 4.1Å; I60-A566 HydrophobicContact CD1-CB 4.13Å
61R98.8Very high98.3Very high80 Ų8045.5 Ų45.530%0.30221%0.207SC..Hα-helixtrans-58.8-46174.6176178.4171.1-91.37112.1P57 D58 L59 L64 R65 F548 E552 F559P57-R61 WeakPolarHBondContact O-CB 3.42Å; P57-R61 PolarHBondContact O-N 3.29Å; D58-R61 WeakPolarHBondContact O-CB 3.13Å; D58-R61 PolarHBondContact O-N 3.27Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.46Å; R61-L64 PolarHBondContact O-N 3.45Å; R61-R65 WeakPolarHBondContact O-CB 3.49Å; R61-R65 PolarHBondContact O-N 2.8Å; R61-F548 HydrophobicContact CG-CE2 4.19Å; R61-F548 HydrophobicContact CG-CZ 3.99Å; R61-E552 IonicContact CZ-OE1 3.24Å; R61-E552 IonicContact NE-OE1 2.73Å; R61-E552 PolarHBondContact NE-OE1 3.35Å; R61-E552 IonicContact NH2-OE1 3.51Å; R61-E552 PolarHBondContact NH2-OE1 3.33Å; R61-F559 VanDerWaalsContact CA-CE1 3.46Å; R61-F559 HydrophobicContact CB-CD1 3.73Å; R61-F559 HydrophobicContact CB-CD2 3.76Å; R61-F559 HydrophobicContact CB-CE1 3.73Å; R61-F559 HydrophobicContact CB-CE2 3.77Å; R61-F559 HydrophobicContact CB-CG 3.75Å; R61-F559 HydrophobicContact CB-CZ 3.75Å; R61-F559 HydrophobicContact CG-CD2 3.98Å; R61-F559 HydrophobicContact CG-CE1 4.11Å; R61-F559 HydrophobicContact CG-CE2 3.54Å; R61-F559 HydrophobicContact CG-CG 4.45Å; R61-F559 HydrophobicContact CG-CZ 3.62Å
62D98.8Very high98.3Very high77 Ų7745.4 Ų45.441%0.41221%0.206SC..Hα-helixtrans-67.9-40.8-178.5-71.3-12.1000111.7D58 L59 R65 K66D58-D62 PolarHBondContact O-N 2.92Å; L59-D62 PolarHBondContact O-N 2.92Å; D62-R65 PolarHBondContact O-N 3.38Å; D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.29Å
63H98.6Very high98.3Very high20 Ų2045.5 Ų45.59%0.09321%0.207CC..Hα-helixtrans-59.9-45.9172.2-61-32.9000111.2L59 I60 K66 F67 A382 H385 E386L59-H63 PolarHBondContact O-CD2 3.05Å; L59-H63 PolarHBondContact O-N 3.11Å; I60-H63 PolarHBondContact O-N 3.3Å; H63-K66 WeakPolarHBondContact O-CB 3.44Å; H63-K66 PolarHBondContact O-N 2.87Å; H63-F67 WeakPolarHBondContact O-CD2 3.37Å; H63-F67 PolarHBondContact O-N 2.64Å; H63-F67 VanDerWaalsContact O-N 3.17Å; H63-A382 HydrophobicContact CB-CB 3.89Å; H63-H385 AromaticContact CD2-CD2 3.91Å; H63-H385 AromaticContact CE1-CD2 3.55Å; H63-H385 AromaticContact CG-CD2 3.85Å; H63-H385 AromaticContact ND1-CD2 3.6Å; H63-H385 AromaticContact NE2-CD2 3.74Å; H63-E386 IonicContact CD2-OE2 3.4Å; H63-E386 IonicContact NE2-OE2 2.74Å; H63-E386 PolarHBondContact NE2-OE2 2.86Å
64L98.9Very high98.4Very high0 Ų041 Ų410%018%0.183CC..Hα-helixtrans-61.4-49.8178.3-176.761.5000111I60 R61 K66 F67 T68 G374 M378 A382 F548 V551 F559I60-L64 WeakPolarHBondContact O-CB 3.42Å; I60-L64 PolarHBondContact O-N 3.08Å; R61-L64 PolarHBondContact O-N 3.45Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 PolarHBondContact O-N 3.33Å; L64-F67 PolarHBondContact O-N 3.18Å; L64-T68 HydrophobicContact CD1-CG2 3.79Å; L64-T68 HydrophobicContact CG-CG2 4.33Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 VanDerWaalsContact O-CG2 3.23Å; L64-T68 WeakPolarHBondContact O-CG2 3.44Å; L64-T68 PolarHBondContact O-N 3.08Å; L64-T68 PolarHBondContact O-OG1 3.13Å; L64-G374 WeakPolarHBondContact CD1-O 3.3Å; L64-M378 HydrophobicContact CD1-CB 3.6Å; L64-M378 WeakPolarHBondContact CD1-O 3.4Å; L64-A382 HydrophobicContact CB-CB 4.03Å; L64-F548 HydrophobicContact CB-CD2 4.35Å; L64-F548 HydrophobicContact CB-CE2 4.37Å; L64-F548 HydrophobicContact CD2-CD2 4.13Å; L64-F548 HydrophobicContact CD2-CE2 4.32Å; L64-F548 HydrophobicContact CG-CD2 3.92Å; L64-F548 HydrophobicContact CG-CE2 4.31Å; L64-V551 HydrophobicContact CD2-CB 3.9Å; L64-V551 HydrophobicContact CD2-CG1 3.72Å; L64-V551 HydrophobicContact CD2-CG2 4.22Å; L64-F559 HydrophobicContact CB-CE1 4.46Å; L64-F559 HydrophobicContact CD2-CE1 3.78Å; L64-F559 HydrophobicContact CD2-CZ 4.19Å
65R98.7Very high98.4Very high84 Ų8440.4 Ų40.432%0.31719%0.188SC..Hα-helixtrans-59.2-37.8178.7-176.2177.7-77.5-116.23.1112.1R61 D62 T68 R69 F548 E552R61-R65 WeakPolarHBondContact O-CB 3.49Å; R61-R65 PolarHBondContact O-N 2.8Å; D62-R65 PolarHBondContact O-N 3.38Å; R65-T68 PolarHBondContact O-OG1 3.35Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; R65-F548 HydrophobicContact CB-CD2 3.7Å; R65-F548 HydrophobicContact CB-CE1 4.45Å; R65-F548 HydrophobicContact CB-CE2 3.52Å; R65-F548 HydrophobicContact CB-CG 4.25Å; R65-F548 HydrophobicContact CB-CZ 3.93Å; R65-F548 HydrophobicContact CG-CD1 4.39Å; R65-F548 HydrophobicContact CG-CD2 4.33Å; R65-F548 HydrophobicContact CG-CE1 4.37Å; R65-F548 HydrophobicContact CG-CE2 4.29Å; R65-F548 HydrophobicContact CG-CG 4.38Å; R65-F548 HydrophobicContact CG-CZ 4.32Å; R65-F548 VanDerWaalsContact CZ-CE1 3.42Å; R65-E552 IonicContact NH2-OE1 2.79Å; R65-E552 PolarHBondContact NH2-OE1 3.1Å; R65-E552 IonicContact NH2-OE2 3.93Å; R65-E552 PolarHBondContact NH2-OE2 3.29Å
66K98.3Very high98.4Very high39 Ų3942.4 Ų42.417%0.1720%0.2CC..Hα-helixtrans-64.2-49.2-179.5175.8-174.5175.2-178.10111.6D62 H63 L64 T68 E85 E89D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.29Å; H63-K66 WeakPolarHBondContact O-CB 3.44Å; H63-K66 PolarHBondContact O-N 2.87Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 PolarHBondContact O-N 3.33Å; K66-T68 PolarHBondContact O-N 2.89Å; K66-E85 WeakPolarHBondContact CE-OE1 3.47Å; K66-E85 VanDerWaalsContact CE-OE2 3.23Å; K66-E85 WeakPolarHBondContact CE-OE2 3.35Å; K66-E85 VanDerWaalsContact NZ-CG 3.31Å; K66-E85 IonicContact NZ-OE1 3.16Å; K66-E85 PolarHBondContact NZ-OE1 2.9Å; K66-E85 IonicContact NZ-OE2 2.77Å; K66-E89 IonicContact NZ-OE1 3.01Å; K66-E89 PolarHBondContact NZ-OE1 3.28Å; K66-E89 IonicContact NZ-OE2 3.65Å; K66-E89 PolarHBondContact NZ-OE2 3.16Å
67F97.8Very high98.4Very high2 Ų243 Ų431%0.00921%0.208CC..Hα-helixtrans-90.34.5-171.4-66.6-55000114.7H63 L64 H72 Y82 E85 I86 M378H63-F67 WeakPolarHBondContact O-CD2 3.37Å; H63-F67 PolarHBondContact O-N 2.64Å; H63-F67 VanDerWaalsContact O-N 3.17Å; L64-F67 PolarHBondContact O-N 3.18Å; F67-H72 PolarHBondContact O-NE2 3.32Å; F67-Y82 HydrophobicContact CB-CE2 4.47Å; F67-Y82 AromaticContact CD1-CD1 3.74Å; F67-Y82 HydrophobicContact CD1-CD1 3.74Å; F67-Y82 HydrophobicContact CD1-CD2 4.31Å; F67-Y82 HydrophobicContact CD1-CE1 4.03Å; F67-Y82 AromaticContact CD1-CG 3.9Å; F67-Y82 HydrophobicContact CD1-CG 3.9Å; F67-Y82 HydrophobicContact CE1-CD1 4.21Å; F67-Y82 HydrophobicContact CE1-CG 4.46Å; F67-Y82 WeakPolarHBondContact O-CE2 3.31Å; F67-Y82 PolarHBondContact O-OH 3.42Å; F67-E85 HydrophobicContact CE1-CG 4.27Å; F67-I86 HydrophobicContact CE1-CG1 4.13Å; F67-I86 HydrophobicContact CE2-CG1 4.41Å; F67-I86 HydrophobicContact CZ-CD1 4.47Å; F67-I86 HydrophobicContact CZ-CG1 3.77Å; F67-M378 HydrophobicContact CB-CE 3.1Å; F67-M378 HydrophobicContact CB-SD 4.1Å; F67-M378 HydrophobicContact CD2-CE 3.88Å; F67-M378 HydrophobicContact CG-CE 3.72Å
68T98.3Very high98.4Very high1 Ų143.1 Ų43.11%0.00621%0.207CC..THydrogen-bonded Turntrans-110.71.717847.90000113.2L64 R65 K66 L70 F372 M378 F548L64-T68 HydrophobicContact CD1-CG2 3.79Å; L64-T68 HydrophobicContact CG-CG2 4.33Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 VanDerWaalsContact O-CG2 3.23Å; L64-T68 WeakPolarHBondContact O-CG2 3.44Å; L64-T68 PolarHBondContact O-N 3.08Å; L64-T68 PolarHBondContact O-OG1 3.13Å; R65-T68 PolarHBondContact O-OG1 3.35Å; K66-T68 PolarHBondContact O-N 2.89Å; T68-L70 VanDerWaalsContact C-N 3.33Å; T68-L70 PolarHBondContact O-N 2.84Å; T68-F372 WeakPolarHBondContact O-CD1 3.34Å; T68-M378 HydrophobicContact CG2-CB 3.6Å; T68-M378 HydrophobicContact CG2-CG 3.85Å; T68-F548 WeakPolarHBondContact OG1-CB 3.17Å
69R96.3Very high98.4Very high163 Ų16339.8 Ų39.862%0.61519%0.188SC*.SBendtrans-66.1-33.1-176-64-173176.7-178.3-1.7114.1R65R65-R69 WeakPolarHBondContact O-CG 3.2Å
70L98.4Very high98.4Very high67 Ų6739.5 Ų39.535%0.35119%0.187SC..SBendtrans-133.5148.5-173.3-66.4175.6000110.1T68 H72 Q78 Y82T68-L70 VanDerWaalsContact C-N 3.33Å; T68-L70 PolarHBondContact O-N 2.84Å; L70-H72 PolarHBondContact O-CD2 3.38Å; L70-H72 VanDerWaalsContact O-CD2 3.31Å; L70-Q78 HydrophobicContact CB-CG 3.91Å; L70-Q78 HydrophobicContact CD1-CG 4.43Å; L70-Y82 PolarHBondContact N-OH 2.84Å
71P98.6Very high98.4Very high4 Ų443.7 Ų43.73%0.02621%0.205CC..  trans-61.7136174.4-21.233000111.7Q78 V144 N146 I147 V371 F372P71-Q78 WeakPolarHBondContact O-CB 3.39Å; P71-Q78 VanDerWaalsContact O-CG 3.29Å; P71-Q78 WeakPolarHBondContact O-CG 3.42Å; P71-V144 VanDerWaalsContact CD-CG1 3.41Å; P71-V144 HydrophobicContact CG-CG1 3.67Å; P71-N146 WeakPolarHBondContact CD-OD1 3.45Å; P71-I147 HydrophobicContact CG-CG1 3.97Å; P71-V371 WeakPolarHBondContact CA-O 3.47Å; P71-V371 HydrophobicContact CB-CG1 4.23Å; P71-V371 HydrophobicContact CG-CG1 4.09Å; P71-F372 HydrophobicContact CG-CD1 4.12Å; P71-F372 HydrophobicContact CG-CE1 3.71Å; P71-F372 HydrophobicContact CG-CZ 4.27Å
72H98.7Very high98.4Very high0 Ų040.3 Ų40.30%019%0.193CC..  trans-133.749.7-172.75688.6000112.3F67 L70 Q78 N79 Y82 R367 A369 V371 F372 M378F67-H72 PolarHBondContact O-NE2 3.32Å; L70-H72 PolarHBondContact O-CD2 3.38Å; L70-H72 VanDerWaalsContact O-CD2 3.31Å; H72-Q78 HydrophobicContact CB-CG 4.39Å; H72-N79 HydrophobicContact CB-CB 4.26Å; H72-N79 WeakPolarHBondContact O-CB 3.48Å; H72-Y82 HydrophobicContact CB-CD2 3.67Å; H72-Y82 HydrophobicContact CB-CE2 3.69Å; H72-Y82 AromaticContact CD2-CE2 3.6Å; H72-Y82 AromaticContact CG-CD2 3.87Å; H72-Y82 AromaticContact CG-CE2 3.75Å; H72-R367 PolarHBondContact CE1-O 3.01Å; H72-R367 PolarHBondContact ND1-O 2.67Å; H72-A369 WeakPolarHBondContact CE1-CB 3.48Å; H72-A369 PolarHBondContact ND1-N 3.37Å; H72-A369 PolarHBondContact O-N 3.41Å; H72-V371 PolarHBondContact N-O 3.19Å; H72-F372 PolarHBondContact NE2-O 3Å; H72-M378 PolarHBondContact CE1-SD 3.1Å; H72-M378 WeakPolarHBondContact NE2-CG 3.36Å
73L98.8Very high98.4Very high12 Ų1236.6 Ų36.66%0.06317%0.173CC..  trans-55.5141.3174.5-170.668.4000111.8T76 N79 Y109 V148 A369 W370 F415L73-T76 HydrophobicContact CB-CG2 3.89Å; L73-T76 VanDerWaalsContact O-CB 3.29Å; L73-T76 WeakPolarHBondContact O-CB 3.46Å; L73-T76 VanDerWaalsContact O-CG2 3.26Å; L73-T76 WeakPolarHBondContact O-CG2 3.33Å; L73-T76 PolarHBondContact O-N 3.11Å; L73-T76 VanDerWaalsContact O-N 3.14Å; L73-T76 PolarHBondContact O-OG1 2.7Å; L73-N79 WeakPolarHBondContact O-CB 3.43Å; L73-Y109 HydrophobicContact CD2-CD1 3.66Å; L73-Y109 HydrophobicContact CD2-CE1 3.51Å; L73-Y109 HydrophobicContact CG-CE1 4.09Å; L73-V148 HydrophobicContact CD2-CB 4.23Å; L73-V148 HydrophobicContact CD2-CG1 4.2Å; L73-V148 HydrophobicContact CD2-CG2 4.23Å; L73-A369 WeakPolarHBondContact CA-O 3.19Å; L73-A369 PolarHBondContact N-O 3.46Å; L73-W370 HydrophobicContact CD1-CE3 3.79Å; L73-W370 HydrophobicContact CD1-CZ3 4.06Å; L73-F415 HydrophobicContact CD1-CE2 3.63Å; L73-F415 HydrophobicContact CD1-CZ 3.86Å; L73-F415 HydrophobicContact CD2-CZ 4.46Å; L73-F415 HydrophobicContact CG-CE2 4.08Å; L73-F415 HydrophobicContact CG-CZ 4.18Å
74A98.8Very high98.4Very high0 Ų040.2 Ų40.20%019%0.19CC..THydrogen-bonded Turntrans-51143.8179.400000112.1T76 L107 Y109 D368 D411 A412 F415A74-T76 PolarHBondContact O-N 2.67Å; A74-L107 HydrophobicContact CB-CD1 4.3Å; A74-Y109 PolarHBondContact O-OH 3.46Å; A74-D368 HydrophobicContact CB-CB 3.79Å; A74-D411 WeakPolarHBondContact CB-OD1 3.24Å; A74-A412 HydrophobicContact CB-CB 3.81Å; A74-F415 HydrophobicContact CB-CD2 3.62Å; A74-F415 HydrophobicContact CB-CE2 3.68Å
75G98.2Very high98.4Very high30 Ų3043.6 Ų43.631%0.30921%0.205SC..THydrogen-bonded Turntrans69.42.7-178.500000116
76T98.4Very high98.4Very high43 Ų4339.9 Ų39.926%0.26419%0.192SC..SBendtrans-88.7158.4175.868.20000112.8L73 A74 Q78 N79 L80L73-T76 HydrophobicContact CB-CG2 3.89Å; L73-T76 VanDerWaalsContact O-CB 3.29Å; L73-T76 WeakPolarHBondContact O-CB 3.46Å; L73-T76 VanDerWaalsContact O-CG2 3.26Å; L73-T76 WeakPolarHBondContact O-CG2 3.33Å; L73-T76 PolarHBondContact O-N 3.11Å; L73-T76 VanDerWaalsContact O-N 3.14Å; L73-T76 PolarHBondContact O-OG1 2.7Å; A74-T76 PolarHBondContact O-N 2.67Å; T76-Q78 VanDerWaalsContact C-N 3.26Å; T76-Q78 PolarHBondContact O-N 3.18Å; T76-N79 PolarHBondContact O-N 3.01Å; T76-N79 PolarHBondContact OG1-N 3.1Å; T76-L80 PolarHBondContact O-N 2.77Å; T76-L80 VanDerWaalsContact O-N 3.14Å
77E98.2Very high98.5Very high135 Ų13539.4 Ų39.463%0.63119%0.191SC*.Hα-helixtrans-57.6-38.5176.3-168.6-168.815200112.4L80 K81E77-L80 PolarHBondContact O-N 3.11Å; E77-K81 WeakPolarHBondContact O-CG 3.29Å; E77-K81 PolarHBondContact O-N 2.98Å; E77-K81 WeakPolarHBondContact OE1-CE 3.33Å; E77-K81 IonicContact OE1-NZ 3.36Å; E77-K81 PolarHBondContact OE1-NZ 3.43Å
78Q98.4Very high98.5Very high29 Ų2945.2 Ų45.214%0.13622%0.216CC..Hα-helixtrans-67.7-38.9179.9-174.956.542.500112.1L70 P71 H72 T76 L80 K81 Y82L70-Q78 HydrophobicContact CB-CG 3.91Å; L70-Q78 HydrophobicContact CD1-CG 4.43Å; P71-Q78 WeakPolarHBondContact O-CB 3.39Å; P71-Q78 VanDerWaalsContact O-CG 3.29Å; P71-Q78 WeakPolarHBondContact O-CG 3.42Å; H72-Q78 HydrophobicContact CB-CG 4.39Å; T76-Q78 VanDerWaalsContact C-N 3.26Å; T76-Q78 PolarHBondContact O-N 3.18Å; Q78-L80 VanDerWaalsContact C-N 3.32Å; Q78-K81 WeakPolarHBondContact O-CB 3.36Å; Q78-K81 PolarHBondContact O-N 3.04Å; Q78-Y82 PolarHBondContact O-N 3.48Å; Q78-Y82 VanDerWaalsContact O-N 3.1Å
79N98.8Very high98.5Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-67.2-35.3176.5-169.942000112.1H72 L73 T76 Y82 A83 R367 D411H72-N79 HydrophobicContact CB-CB 4.26Å; H72-N79 WeakPolarHBondContact O-CB 3.48Å; L73-N79 WeakPolarHBondContact O-CB 3.43Å; T76-N79 PolarHBondContact O-N 3.01Å; T76-N79 PolarHBondContact OG1-N 3.1Å; N79-Y82 PolarHBondContact O-N 2.8Å; N79-A83 PolarHBondContact O-N 2.72Å; N79-R367 PolarHBondContact ND2-NH2 3.21Å; N79-R367 VanDerWaalsContact ND2-NH2 3.12Å; N79-R367 PolarHBondContact O-NE 3.2Å; N79-R367 PolarHBondContact OD1-NE 2.73Å; N79-D411 PolarHBondContact ND2-OD1 3.11Å; N79-D411 PolarHBondContact ND2-OD2 3.24Å
80L98.8Very high98.7Very high43 Ų4339.5 Ų39.523%0.22520%0.196CC..Hα-helixtrans-61.5-45.6170.317259.1000111.5T76 E77 Q78 Y82 A83 E84 M100 Y345T76-L80 PolarHBondContact O-N 2.77Å; T76-L80 VanDerWaalsContact O-N 3.14Å; E77-L80 PolarHBondContact O-N 3.11Å; Q78-L80 VanDerWaalsContact C-N 3.32Å; L80-Y82 VanDerWaalsContact C-N 3.3Å; L80-Y82 PolarHBondContact O-N 2.93Å; L80-A83 WeakPolarHBondContact O-CA 3.32Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.43Å; L80-E84 HydrophobicContact CD1-CG 4.08Å; L80-E84 HydrophobicContact CG-CG 4.47Å; L80-E84 WeakPolarHBondContact O-CG 3.47Å; L80-E84 PolarHBondContact O-N 3.35Å; L80-M100 HydrophobicContact CD1-SD 4.3Å; L80-Y345 HydrophobicContact CD1-CD1 4.47Å; L80-Y345 HydrophobicContact CD1-CD2 3.68Å; L80-Y345 HydrophobicContact CD1-CE2 3.78Å; L80-Y345 HydrophobicContact CD1-CG 4.02Å; L80-Y345 HydrophobicContact CD2-CE2 4.23Å; L80-Y345 HydrophobicContact CG-CE2 4.48Å
81K98.7Very high98.7Very high88 Ų8842.6 Ų42.638%0.38320%0.203SC..Hα-helixtrans-57.7-42.1177-73.2172.2-177.11660112.4E77 Q78 E84 E85E77-K81 WeakPolarHBondContact O-CG 3.29Å; E77-K81 PolarHBondContact O-N 2.98Å; E77-K81 WeakPolarHBondContact OE1-CE 3.33Å; E77-K81 IonicContact OE1-NZ 3.36Å; E77-K81 PolarHBondContact OE1-NZ 3.43Å; Q78-K81 WeakPolarHBondContact O-CB 3.36Å; Q78-K81 PolarHBondContact O-N 3.04Å; K81-E84 PolarHBondContact O-N 3.32Å; K81-E85 WeakPolarHBondContact O-CB 3.27Å; K81-E85 PolarHBondContact O-N 3.24Å
82Y98.7Very high98.7Very high9 Ų946.8 Ų46.84%0.03523%0.225CC..Hα-helixtrans-66.4-35.7173.9-70.6-19.1000112.7F67 L70 H72 Q78 N79 L80 E85 I86F67-Y82 HydrophobicContact CB-CE2 4.47Å; F67-Y82 AromaticContact CD1-CD1 3.74Å; F67-Y82 HydrophobicContact CD1-CD1 3.74Å; F67-Y82 HydrophobicContact CD1-CD2 4.31Å; F67-Y82 HydrophobicContact CD1-CE1 4.03Å; F67-Y82 AromaticContact CD1-CG 3.9Å; F67-Y82 HydrophobicContact CD1-CG 3.9Å; F67-Y82 HydrophobicContact CE1-CD1 4.21Å; F67-Y82 HydrophobicContact CE1-CG 4.46Å; F67-Y82 WeakPolarHBondContact O-CE2 3.31Å; F67-Y82 PolarHBondContact O-OH 3.42Å; L70-Y82 PolarHBondContact N-OH 2.84Å; H72-Y82 HydrophobicContact CB-CD2 3.67Å; H72-Y82 HydrophobicContact CB-CE2 3.69Å; H72-Y82 AromaticContact CD2-CE2 3.6Å; H72-Y82 AromaticContact CG-CD2 3.87Å; H72-Y82 AromaticContact CG-CE2 3.75Å; Q78-Y82 PolarHBondContact O-N 3.48Å; Q78-Y82 VanDerWaalsContact O-N 3.1Å; N79-Y82 PolarHBondContact O-N 2.8Å; L80-Y82 VanDerWaalsContact C-N 3.3Å; L80-Y82 PolarHBondContact O-N 2.93Å; Y82-E85 PolarHBondContact O-N 2.97Å; Y82-I86 WeakPolarHBondContact O-CB 3.11Å; Y82-I86 VanDerWaalsContact O-CG1 3.28Å; Y82-I86 WeakPolarHBondContact O-CG1 3.25Å; Y82-I86 PolarHBondContact O-N 2.87Å
83A98.9Very high98.7Very high0 Ų048.5 Ų48.50%023%0.233CC..Hα-helixtrans-62.1-46.4173.300000111.9N79 L80 E85 I86 M87 M100 V347N79-A83 PolarHBondContact O-N 2.72Å; L80-A83 WeakPolarHBondContact O-CA 3.32Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.43Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 2.93Å; A83-I86 PolarHBondContact O-N 3.48Å; A83-M87 VanDerWaalsContact O-CB 3.3Å; A83-M87 WeakPolarHBondContact O-CB 3.13Å; A83-M87 PolarHBondContact O-N 2.88Å; A83-M100 HydrophobicContact CB-SD 4.2Å; A83-V347 HydrophobicContact CB-CG2 3.8Å; A83-V347 WeakPolarHBondContact O-CG2 3.38Å
84E98.8Very high98.6Very high95 Ų9549.3 Ų49.344%0.44424%0.244SC..Hα-helixtrans-61-40.1176.5-69.4175.5154.500111.7L80 K81 M87 K88 M100L80-E84 HydrophobicContact CD1-CG 4.08Å; L80-E84 HydrophobicContact CG-CG 4.47Å; L80-E84 WeakPolarHBondContact O-CG 3.47Å; L80-E84 PolarHBondContact O-N 3.35Å; K81-E84 PolarHBondContact O-N 3.32Å; E84-M87 PolarHBondContact O-N 2.87Å; E84-K88 WeakPolarHBondContact O-CB 3.18Å; E84-K88 PolarHBondContact O-N 2.93Å; E84-M100 HydrophobicContact CG-CE 4.07Å; E84-M100 HydrophobicContact CG-SD 4.07Å
85E98.8Very high98.6Very high71 Ų7150 Ų5033%0.33225%0.248SC..Hα-helixtrans-67.4-47.2178.2-175.1159.5-147.900112.3K66 F67 K81 Y82 A83 M87 K88 E89K66-E85 WeakPolarHBondContact CE-OE1 3.47Å; K66-E85 VanDerWaalsContact CE-OE2 3.23Å; K66-E85 WeakPolarHBondContact CE-OE2 3.35Å; K66-E85 VanDerWaalsContact NZ-CG 3.31Å; K66-E85 IonicContact NZ-OE1 3.16Å; K66-E85 PolarHBondContact NZ-OE1 2.9Å; K66-E85 IonicContact NZ-OE2 2.77Å; F67-E85 HydrophobicContact CE1-CG 4.27Å; K81-E85 WeakPolarHBondContact O-CB 3.27Å; K81-E85 PolarHBondContact O-N 3.24Å; Y82-E85 PolarHBondContact O-N 2.97Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 2.93Å; E85-M87 VanDerWaalsContact C-N 3.3Å; E85-M87 PolarHBondContact O-N 3.31Å; E85-K88 PolarHBondContact O-N 3.3Å; E85-E89 WeakPolarHBondContact O-CG 3.34Å; E85-E89 PolarHBondContact O-N 2.83Å
86I98.9Very high98.7Very high6 Ų652 Ų523%0.03125%0.251CS..Hα-helixtrans-58.8-44.8174-70.9168.2000110.4F67 Y82 A83 K88 E89 W90 V347 R367F67-I86 HydrophobicContact CE1-CG1 4.13Å; F67-I86 HydrophobicContact CE2-CG1 4.41Å; F67-I86 HydrophobicContact CZ-CD1 4.47Å; F67-I86 HydrophobicContact CZ-CG1 3.77Å; Y82-I86 WeakPolarHBondContact O-CB 3.11Å; Y82-I86 VanDerWaalsContact O-CG1 3.28Å; Y82-I86 WeakPolarHBondContact O-CG1 3.25Å; Y82-I86 PolarHBondContact O-N 2.87Å; A83-I86 PolarHBondContact O-N 3.48Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.81Å; I86-E89 PolarHBondContact O-N 3.32Å; I86-W90 HydrophobicContact CG2-CD2 3.76Å; I86-W90 VanDerWaalsContact CG2-CE2 3.45Å; I86-W90 HydrophobicContact CG2-CE3 4.25Å; I86-W90 HydrophobicContact CG2-CG 4.19Å; I86-W90 HydrophobicContact CG2-CH2 4.21Å; I86-W90 HydrophobicContact CG2-CZ2 3.71Å; I86-W90 HydrophobicContact CG2-CZ3 4.45Å; I86-W90 WeakPolarHBondContact O-CB 3.43Å; I86-W90 VanDerWaalsContact O-CG 3.28Å; I86-W90 PolarHBondContact O-N 3.23Å; I86-V347 HydrophobicContact CG2-CB 4.43Å; I86-V347 HydrophobicContact CG2-CG1 4.22Å; I86-R367 HydrophobicContact CD1-CG 4.25Å
87M98.8Very high98.7Very high30 Ų3052.3 Ų52.315%0.14826%0.255CS..Hα-helixtrans-58.1-45.4177.5174.4-171.8-178.800111.8A83 E84 E85 R91 V98 M100 V347A83-M87 VanDerWaalsContact O-CB 3.3Å; A83-M87 WeakPolarHBondContact O-CB 3.13Å; A83-M87 PolarHBondContact O-N 2.88Å; E84-M87 PolarHBondContact O-N 2.87Å; E85-M87 VanDerWaalsContact C-N 3.3Å; E85-M87 PolarHBondContact O-N 3.31Å; M87-R91 WeakPolarHBondContact O-CG 3.33Å; M87-R91 PolarHBondContact O-N 2.9Å; M87-V98 HydrophobicContact CB-CG1 4.26Å; M87-V98 HydrophobicContact CG-CG1 3.96Å; M87-M100 HydrophobicContact SD-CB 4.48Å; M87-M100 HydrophobicContact SD-CE 3.83Å; M87-M100 HydrophobicContact SD-CG 3.6Å; M87-M100 HydrophobicContact SD-SD 4.01Å; M87-V347 HydrophobicContact CB-CG1 3.91Å
88K98.8Very high98.7Very high124 Ų12446.3 Ų46.354%0.53923%0.228SC..Hα-helixtrans-62.9-50.8177-178.8-174171.4-63.80111.1E84 E85 I86 W90 R91 D92E84-K88 WeakPolarHBondContact O-CB 3.18Å; E84-K88 PolarHBondContact O-N 2.93Å; E85-K88 PolarHBondContact O-N 3.3Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.81Å; K88-W90 PolarHBondContact O-N 3.44Å; K88-R91 WeakPolarHBondContact O-CB 3.3Å; K88-R91 PolarHBondContact O-N 3.08Å; K88-D92 IonicContact NZ-OD2 3.55Å; K88-D92 PolarHBondContact NZ-OD2 3.26Å; K88-D92 PolarHBondContact O-N 2.69Å
89E98.8Very high98.7Very high41 Ų4148.8 Ų48.819%0.19224%0.24CC..Hα-helixtrans-65.5-38.3-176.4-72.1-177.8142.500112.4K66 E85 I86 R91 D92 F93 H385K66-E89 IonicContact NZ-OE1 3.01Å; K66-E89 PolarHBondContact NZ-OE1 3.28Å; K66-E89 IonicContact NZ-OE2 3.65Å; K66-E89 PolarHBondContact NZ-OE2 3.16Å; E85-E89 WeakPolarHBondContact O-CG 3.34Å; E85-E89 PolarHBondContact O-N 2.83Å; I86-E89 PolarHBondContact O-N 3.32Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.21Å; E89-D92 CarbonylContact O-C 3.54Å; E89-D92 PolarHBondContact O-N 2.86Å; E89-D92 VanDerWaalsContact O-N 3.13Å; E89-F93 HydrophobicContact CB-CE2 4.3Å; E89-F93 HydrophobicContact CB-CZ 4.18Å; E89-F93 WeakPolarHBondContact O-CD1 3.48Å; E89-F93 WeakPolarHBondContact O-CD2 3.35Å; E89-F93 WeakPolarHBondContact O-CG 3.31Å; E89-F93 PolarHBondContact O-N 3.29Å; E89-H385 IonicContact OE2-CE1 3.34Å; E89-H385 PolarHBondContact OE2-CE1 3.47Å; E89-H385 IonicContact OE2-NE2 3.85Å; E89-H385 PolarHBondContact OE2-NE2 3.36Å; E89-H385 VanDerWaalsContact OE2-NE2 3.14Å
90W98.9Very high98.7Very high3 Ų351.4 Ų51.41%0.01125%0.252CS..Hα-helixtrans-64.3-33.3175.2-74.99.7000112.8I86 K88 G94 L95 V98 V347 V384 H385 V388 F407I86-W90 HydrophobicContact CG2-CD2 3.76Å; I86-W90 VanDerWaalsContact CG2-CE2 3.45Å; I86-W90 HydrophobicContact CG2-CE3 4.25Å; I86-W90 HydrophobicContact CG2-CG 4.19Å; I86-W90 HydrophobicContact CG2-CH2 4.21Å; I86-W90 HydrophobicContact CG2-CZ2 3.71Å; I86-W90 HydrophobicContact CG2-CZ3 4.45Å; I86-W90 WeakPolarHBondContact O-CB 3.43Å; I86-W90 VanDerWaalsContact O-CG 3.28Å; I86-W90 PolarHBondContact O-N 3.23Å; K88-W90 PolarHBondContact O-N 3.44Å; W90-G94 PolarHBondContact O-N 2.71Å; W90-L95 HydrophobicContact CB-CD1 3.94Å; W90-L95 HydrophobicContact CB-CG 4.37Å; W90-L95 HydrophobicContact CD2-CD1 4.28Å; W90-L95 HydrophobicContact CE3-CD1 4.12Å; W90-L95 HydrophobicContact CG-CD1 4.25Å; W90-L95 WeakPolarHBondContact O-CG 3.45Å; W90-L95 PolarHBondContact O-N 2.88Å; W90-V98 HydrophobicContact CB-CG1 4.14Å; W90-V98 HydrophobicContact CB-CG2 3.87Å; W90-V98 HydrophobicContact CE3-CG1 4.13Å; W90-V347 HydrophobicContact CE3-CG1 4.04Å; W90-V347 HydrophobicContact CZ3-CB 4.49Å; W90-V347 HydrophobicContact CZ3-CG1 4.1Å; W90-V384 HydrophobicContact CH2-CG1 4.45Å; W90-V384 HydrophobicContact CZ2-CG1 3.94Å; W90-H385 AromaticContact CD1-CE1 3.95Å; W90-H385 AromaticContact CD1-ND1 3.92Å; W90-H385 AromaticContact NE1-CE1 3.94Å; W90-H385 AromaticContact NE1-ND1 3.44Å; W90-H385 PolarHBondContact NE1-ND1 3.25Å; W90-V388 HydrophobicContact CB-CG1 4.41Å; W90-V388 HydrophobicContact CD2-CG1 4.23Å; W90-V388 HydrophobicContact CD2-CG2 4.35Å; W90-V388 HydrophobicContact CG-CG1 3.87Å; W90-V388 HydrophobicContact CZ2-CG2 3.95Å; W90-F407 HydrophobicContact CE3-CB 4.36Å; W90-F407 HydrophobicContact CH2-CB 3.77Å; W90-F407 HydrophobicContact CZ2-CB 4.38Å; W90-F407 HydrophobicContact CZ3-CB 3.75Å
91R98.7Very high98.7Very high131 Ų13150.1 Ų50.149%0.49425%0.247SC..Hα-helixtrans-66.3-45.2170.3-70.3170.2174.8-174.9-8.4111.1M87 K88 E89 F93 G94 V98M87-R91 WeakPolarHBondContact O-CG 3.33Å; M87-R91 PolarHBondContact O-N 2.9Å; K88-R91 WeakPolarHBondContact O-CB 3.3Å; K88-R91 PolarHBondContact O-N 3.08Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.21Å; R91-F93 VanDerWaalsContact C-N 3.26Å; R91-F93 PolarHBondContact O-N 3.19Å; R91-G94 WeakPolarHBondContact O-CA 3.46Å; R91-G94 PolarHBondContact O-N 2.92Å; R91-V98 HydrophobicContact CG-CB 3.79Å; R91-V98 HydrophobicContact CG-CG2 3.67Å; R91-V98 PolarHBondContact NE-O 2.73Å; R91-V98 PolarHBondContact NH2-O 2.94Å
92D98.6Very high98.7Very high92 Ų9248.3 Ų48.349%0.49224%0.244SC..Hα-helixtrans-63.9-31.8179.3-66.4-19.8000112K88 E89 G94K88-D92 IonicContact NZ-OD2 3.55Å; K88-D92 PolarHBondContact NZ-OD2 3.26Å; K88-D92 PolarHBondContact O-N 2.69Å; E89-D92 CarbonylContact O-C 3.54Å; E89-D92 PolarHBondContact O-N 2.86Å; E89-D92 VanDerWaalsContact O-N 3.13Å; D92-G94 PolarHBondContact O-N 3.44Å
93F98.6Very high98.7Very high36 Ų3647.9 Ų47.916%0.15824%0.242CC..Hα-helixtrans-68-24.4172.7-63.2-19.1000112.9E89 R91 H385 V388 R389 G392E89-F93 HydrophobicContact CB-CE2 4.3Å; E89-F93 HydrophobicContact CB-CZ 4.18Å; E89-F93 WeakPolarHBondContact O-CD1 3.48Å; E89-F93 WeakPolarHBondContact O-CD2 3.35Å; E89-F93 WeakPolarHBondContact O-CG 3.31Å; E89-F93 PolarHBondContact O-N 3.29Å; R91-F93 VanDerWaalsContact C-N 3.26Å; R91-F93 PolarHBondContact O-N 3.19Å; F93-H385 AromaticContact CE2-CD2 3.7Å; F93-H385 AromaticContact CE2-CE1 3.92Å; F93-H385 AromaticContact CE2-NE2 3.31Å; F93-H385 VanDerWaalsContact CE2-NE2 3.31Å; F93-H385 WeakPolarHBondContact CE2-NE2 3.29Å; F93-H385 AromaticContact CZ-CD2 3.89Å; F93-H385 AromaticContact CZ-NE2 3.38Å; F93-H385 WeakPolarHBondContact CZ-NE2 3.29Å; F93-V388 HydrophobicContact CD2-CB 4.4Å; F93-V388 HydrophobicContact CD2-CG1 3.99Å; F93-R389 HydrophobicContact CD1-CB 4.3Å; F93-R389 HydrophobicContact CD1-CG 3.89Å; F93-R389 HydrophobicContact CD2-CB 3.86Å; F93-R389 HydrophobicContact CD2-CG 4.36Å; F93-R389 HydrophobicContact CE1-CB 4.18Å; F93-R389 HydrophobicContact CE1-CG 3.73Å; F93-R389 HydrophobicContact CE2-CB 3.71Å; F93-R389 HydrophobicContact CE2-CG 4.2Å; F93-R389 HydrophobicContact CG-CB 4.16Å; F93-R389 HydrophobicContact CG-CG 4.22Å; F93-R389 HydrophobicContact CZ-CB 3.89Å; F93-R389 HydrophobicContact CZ-CG 3.89Å; F93-G392 WeakPolarHBondContact O-CA 3.35Å
94G98.1Very high98.7Very high30 Ų3049.1 Ų49.131%0.30925%0.249SC..THydrogen-bonded Turntrans106.524.9172.100000114.6W90 R91 D92 L395W90-G94 PolarHBondContact O-N 2.71Å; R91-G94 WeakPolarHBondContact O-CA 3.46Å; R91-G94 PolarHBondContact O-N 2.92Å; D92-G94 PolarHBondContact O-N 3.44Å; G94-L395 WeakPolarHBondContact O-CD1 3.33Å
95L98.7Very high98.6Very high13 Ų1344.6 Ų44.67%0.06823%0.228CC..  trans-61.1145.7168.6-62.8-163.4000110.7W90 S97 V98 I351 V388 F407W90-L95 HydrophobicContact CB-CD1 3.94Å; W90-L95 HydrophobicContact CB-CG 4.37Å; W90-L95 HydrophobicContact CD2-CD1 4.28Å; W90-L95 HydrophobicContact CE3-CD1 4.12Å; W90-L95 HydrophobicContact CG-CD1 4.25Å; W90-L95 WeakPolarHBondContact O-CG 3.45Å; W90-L95 PolarHBondContact O-N 2.88Å; L95-S97 VanDerWaalsContact C-N 3.3Å; L95-S97 PolarHBondContact O-N 2.89Å; L95-V98 HydrophobicContact CB-CG2 3.76Å; L95-V98 HydrophobicContact CD1-CG2 4.08Å; L95-V98 HydrophobicContact CG-CG2 4.4Å; L95-I351 HydrophobicContact CD2-CD1 3.84Å; L95-I351 HydrophobicContact CD2-CG1 3.46Å; L95-I351 VanDerWaalsContact CD2-CG1 3.46Å; L95-V388 HydrophobicContact CD1-CG1 3.8Å; L95-V388 HydrophobicContact CD2-CG1 3.94Å; L95-V388 HydrophobicContact CG-CG1 3.93Å; L95-F407 HydrophobicContact CD1-CD2 3.93Å; L95-F407 HydrophobicContact CD2-CD2 4.15Å; L95-F407 HydrophobicContact CD2-CE2 4.02Å
96D98.6Very high98.6Very high72 Ų7241.3 Ų41.339%0.38521%0.212SC..SBendtrans-68.6-32.1-175.9-65-45.2000112.6K350 I351 R352 R400D96-K350 PolarHBondContact N-O 3.4Å; D96-I351 WeakPolarHBondContact OD2-CA 3.3Å; D96-R352 WeakPolarHBondContact OD2-CB 3.21Å; D96-R352 PolarHBondContact OD2-N 2.97Å; D96-R400 IonicContact OD1-CZ 2.71Å; D96-R400 IonicContact OD1-NH1 3.85Å; D96-R400 PolarHBondContact OD1-NH1 3.37Å; D96-R400 IonicContact OD1-NH2 2.87Å; D96-R400 PolarHBondContact OD1-NH2 2.81Å; D96-R400 IonicContact OD2-CZ 3.66Å; D96-R400 IonicContact OD2-NH1 3.81Å; D96-R400 PolarHBondContact OD2-NH1 3.23Å; D96-R400 IonicContact OD2-NH2 3.29Å
97S98.6Very high98.6Very high50 Ų5041 Ų4135%0.3521%0.211SC..EExtended strand (participates in β ladder)trans-149.8143.3174.360.30000109.5L95 G349 K350L95-S97 VanDerWaalsContact C-N 3.3Å; L95-S97 PolarHBondContact O-N 2.89Å; S97-G349 CarbonylContact O-C 3.59Å; S97-G349 WeakPolarHBondContact O-CA 3.47Å; S97-K350 PolarHBondContact O-N 3.33Å
98V98.8Very high98.6Very high9 Ų939.6 Ų39.66%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-141.6123.2171.6-166.40000108.5M87 W90 R91 L95 V347 I348M87-V98 HydrophobicContact CB-CG1 4.26Å; M87-V98 HydrophobicContact CG-CG1 3.96Å; W90-V98 HydrophobicContact CB-CG1 4.14Å; W90-V98 HydrophobicContact CB-CG2 3.87Å; W90-V98 HydrophobicContact CE3-CG1 4.13Å; R91-V98 HydrophobicContact CG-CB 3.79Å; R91-V98 HydrophobicContact CG-CG2 3.67Å; R91-V98 PolarHBondContact NE-O 2.73Å; R91-V98 PolarHBondContact NH2-O 2.94Å; L95-V98 HydrophobicContact CB-CG2 3.76Å; L95-V98 HydrophobicContact CD1-CG2 4.08Å; L95-V98 HydrophobicContact CG-CG2 4.4Å; V98-V347 HydrophobicContact CG1-CG1 3.72Å; V98-I348 WeakPolarHBondContact CA-O 3.25Å
99E98.3Very high98.6Very high82 Ų8235.2 Ų35.238%0.38318%0.184SC..EExtended strand (participates in β ladder)trans-131.4145.3-175.662.7-165.716300111.2V101 I348 K350E99-V101 HydrophobicContact CG-CG2 4.03Å; E99-I348 HydrophobicContact CG-CB 4.04Å; E99-I348 PolarHBondContact N-O 2.86Å; E99-I348 PolarHBondContact O-N 3.15Å; E99-K350 IonicContact OE1-NZ 2.87Å; E99-K350 PolarHBondContact OE1-NZ 3.18Å
100M98.5Very high98.5Very high54 Ų5434 Ų3427%0.26618%0.18SC..EExtended strand (participates in β ladder)trans-90.7129.6164.7-76.3-172.2-56.500108.7L80 A83 E84 M87 Y345 N346 V347L80-M100 HydrophobicContact CD1-SD 4.3Å; A83-M100 HydrophobicContact CB-SD 4.2Å; E84-M100 HydrophobicContact CG-CE 4.07Å; E84-M100 HydrophobicContact CG-SD 4.07Å; M87-M100 HydrophobicContact SD-CB 4.48Å; M87-M100 HydrophobicContact SD-CE 3.83Å; M87-M100 HydrophobicContact SD-CG 3.6Å; M87-M100 HydrophobicContact SD-SD 4.01Å; M100-Y345 HydrophobicContact CB-CD1 4.36Å; M100-N346 CarbonylContact C-O 3.58Å; M100-N346 VanDerWaalsContact CA-O 3.26Å; M100-N346 WeakPolarHBondContact CA-O 3.38Å; M100-V347 HydrophobicContact CG-CG2 4.27Å
101V98.8Very high98.4Very high17 Ų1736 Ų3610%0.10319%0.191CC..EExtended strand (participates in β ladder)trans-112109.7-179.4-173.30000109.1E99 Y103 N346 I348E99-V101 HydrophobicContact CG-CG2 4.03Å; V101-Y103 HydrophobicContact CG1-CE2 3.77Å; V101-N346 HydrophobicContact CB-CB 4.47Å; V101-N346 PolarHBondContact N-O 3.13Å; V101-N346 PolarHBondContact O-N 3.08Å; V101-N346 VanDerWaalsContact O-N 3.11Å; V101-I348 HydrophobicContact CG2-CB 4.48Å; V101-I348 HydrophobicContact CG2-CG1 3.71Å
102P98.8Very high98.2Very high50 Ų5039.5 Ų39.533%0.32521%0.209SC..EExtended strand (participates in β ladder)trans-83.8147.1-177.929.6-32.2000113.7I344 Y345P102-I344 VanDerWaalsContact CA-O 3.31Å; P102-I344 WeakPolarHBondContact CA-O 3.39Å; P102-Y345 HydrophobicContact CB-CD1 4.15Å; P102-Y345 HydrophobicContact CB-CE1 4.03Å
103Y98.9Very high98Very high0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-138.6147.2165.6-61.1-78.9000110.4V101 P263 K265 R343 I344 E422 W423 D426V101-Y103 HydrophobicContact CG1-CE2 3.77Å; Y103-P263 HydrophobicContact CE1-CB 3.95Å; Y103-K265 HydrophobicContact CD1-CD 4.23Å; Y103-K265 HydrophobicContact CE1-CD 4.03Å; Y103-K265 PolarHBondContact OH-NZ 3.03Å; Y103-R343 CarbonylContact O-C 3.56Å; Y103-R343 WeakPolarHBondContact O-CA 3.47Å; Y103-I344 PolarHBondContact N-O 3.12Å; Y103-I344 PolarHBondContact O-N 3.26Å; Y103-E422 HydrophobicContact CD1-CB 3.78Å; Y103-E422 HydrophobicContact CD1-CG 4.44Å; Y103-E422 HydrophobicContact CD2-CB 3.91Å; Y103-E422 HydrophobicContact CE1-CB 3.94Å; Y103-E422 HydrophobicContact CE2-CB 4.07Å; Y103-E422 HydrophobicContact CG-CB 3.78Å; Y103-E422 HydrophobicContact CG-CG 4.31Å; Y103-W423 HydrophobicContact CE2-CB 4.22Å; Y103-W423 WeakPolarHBondContact OH-CA 3.22Å; Y103-D426 HydrophobicContact CE1-CB 4.29Å; Y103-D426 WeakPolarHBondContact OH-CB 3.47Å; Y103-D426 PolarHBondContact OH-OD2 3.42Å; Y103-D426 VanDerWaalsContact OH-OD2 3.1Å
104D98.6Very high97.9Very high26 Ų2643.1 Ų43.114%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-107.393.9177.6-75.8-38.7000109.5A264 R270 V341 R343D104-A264 PolarHBondContact N-O 3.06Å; D104-R270 PolarHBondContact O-NE 3.42Å; D104-R270 PolarHBondContact O-NH2 3.44Å; D104-V341 HydrophobicContact CB-CG1 3.97Å; D104-R343 VanDerWaalsContact OD1-CD 3.32Å; D104-R343 WeakPolarHBondContact OD1-CD 3.45Å; D104-R343 IonicContact OD1-CZ 3.03Å; D104-R343 IonicContact OD1-NE 3.16Å; D104-R343 PolarHBondContact OD1-NE 3.37Å; D104-R343 IonicContact OD1-NH1 3.18Å; D104-R343 PolarHBondContact OD1-NH1 3.49Å; D104-R343 IonicContact OD1-NH2 3.22Å; D104-R343 PolarHBondContact OD1-NH2 3.06Å; D104-R343 IonicContact OD2-CZ 2.75Å; D104-R343 IonicContact OD2-NE 2.69Å; D104-R343 IonicContact OD2-NH1 3.51Å; D104-R343 PolarHBondContact OD2-NH1 2.89Å; D104-R343 IonicContact OD2-NH2 3.35Å; D104-R343 PolarHBondContact OD2-NH2 2.78Å
105I98.2Very high97.8Very high0 Ų044.1 Ų44.10%024%0.237CC..EExtended strand (participates in β ladder)trans-113.7158.8-168.456.9150.5000111.9L107 D256 A264 V341 S342 I344 A412 L418 E422I105-L107 HydrophobicContact CD1-CD1 4.4Å; I105-L107 HydrophobicContact CD1-CD2 3.45Å; I105-L107 VanDerWaalsContact CD1-CD2 3.45Å; I105-L107 HydrophobicContact CD1-CG 3.87Å; I105-L107 HydrophobicContact CG1-CD2 4.26Å; I105-L107 HydrophobicContact CG1-CG 4.14Å; I105-L107 PolarHBondContact O-N 3.47Å; I105-D256 HydrophobicContact CB-CB 4.36Å; I105-D256 HydrophobicContact CG2-CB 4.03Å; I105-A264 HydrophobicContact CG2-CB 3.8Å; I105-V341 CarbonylContact O-C 3.47Å; I105-V341 VanDerWaalsContact O-CA 3.27Å; I105-V341 WeakPolarHBondContact O-CA 3.43Å; I105-S342 PolarHBondContact N-O 3.48Å; I105-S342 PolarHBondContact O-N 3.44Å; I105-I344 HydrophobicContact CD1-CB 4.49Å; I105-I344 HydrophobicContact CD1-CD1 3.68Å; I105-I344 HydrophobicContact CD1-CG1 4.13Å; I105-I344 HydrophobicContact CD1-CG2 3.66Å; I105-I344 HydrophobicContact CG1-CB 4.47Å; I105-I344 HydrophobicContact CG1-CD1 3.99Å; I105-I344 HydrophobicContact CG1-CG1 3.98Å; I105-I344 HydrophobicContact CG1-CG2 3.76Å; I105-I344 HydrophobicContact CG2-CD1 4.27Å; I105-A412 HydrophobicContact CD1-CB 3.52Å; I105-L418 HydrophobicContact CD1-CB 3.71Å; I105-L418 HydrophobicContact CD1-CD1 3.39Å; I105-L418 HydrophobicContact CD1-CG 4.18Å; I105-E422 HydrophobicContact CG2-CG 3.94Å
106L98.5Very high97.8Very high2 Ų243.8 Ų43.81%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-74.8112173.6-17268.6000110.2Y154 D256 P257 L258 L279 N339 V341L106-Y154 HydrophobicContact CD2-CE1 4.44Å; L106-Y154 HydrophobicContact CG-CE1 4.31Å; L106-Y154 WeakPolarHBondContact O-CE1 3.35Å; L106-Y154 PolarHBondContact O-OH 3.37Å; L106-D256 PolarHBondContact N-OD1 2.94Å; L106-P257 HydrophobicContact CD2-CB 4.04Å; L106-P257 HydrophobicContact CD2-CG 4.26Å; L106-L258 HydrophobicContact CB-CD1 3.92Å; L106-L258 HydrophobicContact CB-CG 3.95Å; L106-L258 HydrophobicContact CD1-CD1 4.06Å; L106-L258 HydrophobicContact CD2-CD1 4.32Å; L106-L258 HydrophobicContact CD2-CD2 4.04Å; L106-L258 HydrophobicContact CD2-CG 4.09Å; L106-L258 HydrophobicContact CG-CD1 4.33Å; L106-L258 HydrophobicContact CG-CG 4.47Å; L106-L279 HydrophobicContact CD2-CD2 4.4Å; L106-N339 HydrophobicContact CD1-CB 3.75Å; L106-N339 HydrophobicContact CD2-CB 4.38Å; L106-N339 HydrophobicContact CG-CB 4.16Å; L106-V341 HydrophobicContact CD1-CG2 4.42Å
107L98.6Very high97.8Very high0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-106.6173.9169.7-65.8-175.7000110.8A74 I105 Y109 N339 Q340 I344 A412 F415 L418A74-L107 HydrophobicContact CB-CD1 4.3Å; I105-L107 HydrophobicContact CD1-CD1 4.4Å; I105-L107 HydrophobicContact CD1-CD2 3.45Å; I105-L107 VanDerWaalsContact CD1-CD2 3.45Å; I105-L107 HydrophobicContact CD1-CG 3.87Å; I105-L107 HydrophobicContact CG1-CD2 4.26Å; I105-L107 HydrophobicContact CG1-CG 4.14Å; I105-L107 PolarHBondContact O-N 3.47Å; L107-Y109 HydrophobicContact CB-CE2 3.76Å; L107-Y109 WeakPolarHBondContact CD1-OH 3.33Å; L107-N339 CarbonylContact O-C 3.59Å; L107-N339 WeakPolarHBondContact O-CA 3.33Å; L107-Q340 PolarHBondContact N-O 3.48Å; L107-Q340 PolarHBondContact O-N 3.36Å; L107-I344 HydrophobicContact CD1-CG2 3.99Å; L107-A412 HydrophobicContact CD2-CB 4.04Å; L107-F415 HydrophobicContact CD2-CB 3.64Å; L107-F415 HydrophobicContact CD2-CD1 3.72Å; L107-F415 HydrophobicContact CD2-CD2 3.96Å; L107-F415 HydrophobicContact CD2-CE1 4.35Å; L107-F415 HydrophobicContact CD2-CG 3.48Å; L107-F415 VanDerWaalsContact CD2-CG 3.48Å; L107-L418 HydrophobicContact CD2-CD1 4.14Å
108S98.3Very high97.8Very high0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-138.9137.8-178.8-168.40000110.8Y151 Y154 N338 N339 F415S108-Y151 PolarHBondContact O-OH 2.97Å; S108-Y154 VanDerWaalsContact CB-N 3.25Å; S108-Y154 PolarHBondContact OG-N 2.91Å; S108-N338 CarbonylContact C-O 3.32Å; S108-N338 VanDerWaalsContact CA-O 3.26Å; S108-N338 WeakPolarHBondContact CA-O 3.45Å; S108-N338 PolarHBondContact OG-O 3.05Å; S108-N339 VanDerWaalsContact CB-OD1 3.29Å; S108-N339 WeakPolarHBondContact CB-OD1 3.33Å; S108-N339 PolarHBondContact OG-OD1 3.45Å; S108-F415 VanDerWaalsContact O-CE1 3.25Å; S108-F415 WeakPolarHBondContact O-CE1 3.33Å
109Y98.4Very high97.8Very high32 Ų3239.5 Ų39.513%0.12521%0.205CC..EExtended strand (participates in β ladder)trans-142.5149178.9-56-82000111.6L73 A74 L107 S337 N338 Q340 F415L73-Y109 HydrophobicContact CD2-CD1 3.66Å; L73-Y109 HydrophobicContact CD2-CE1 3.51Å; L73-Y109 HydrophobicContact CG-CE1 4.09Å; A74-Y109 PolarHBondContact O-OH 3.46Å; L107-Y109 HydrophobicContact CB-CE2 3.76Å; L107-Y109 WeakPolarHBondContact CD1-OH 3.33Å; Y109-S337 CarbonylContact O-C 3.58Å; Y109-S337 WeakPolarHBondContact O-CA 3.29Å; Y109-N338 PolarHBondContact N-O 2.91Å; Y109-N338 PolarHBondContact O-N 3.04Å; Y109-Q340 HydrophobicContact CD2-CG 3.92Å; Y109-Q340 HydrophobicContact CE2-CG 3.98Å; Y109-Q340 VanDerWaalsContact CE2-NE2 3.26Å; Y109-F415 HydrophobicContact CE1-CZ 4.27Å
110P97.7Very high97.8Very high16 Ų1636 Ų3610%0.10419%0.189CC..  trans-67.3147.9171.629.3-33.6000110.8K112 V148 P149 Y151P110-K112 PolarHBondContact O-N 3.44Å; P110-V148 HydrophobicContact CG-CG2 3.59Å; P110-P149 HydrophobicContact CB-CG 4.18Å; P110-P149 HydrophobicContact CG-CG 3.8Å; P110-Y151 HydrophobicContact CB-CG 4.42Å; P110-Y151 HydrophobicContact CG-CD1 4.14Å; P110-Y151 HydrophobicContact CG-CE1 4.39Å; P110-Y151 HydrophobicContact CG-CG 4.23Å
111N96.9Very high97.8Very high44 Ų4433.5 Ų33.524%0.23518%0.177CC..  trans-72.3124.9173-174.4-28.4000110.1S113 Q114 Y336N111-S113 VanDerWaalsContact C-N 3.34Å; N111-S113 PolarHBondContact O-N 3.12Å; N111-S113 PolarHBondContact OD1-N 3.42Å; N111-Q114 HydrophobicContact CB-CB 4.37Å; N111-Q114 CarbonylContact O-C 3.51Å; N111-Q114 VanDerWaalsContact O-O 3.07Å; N111-Q114 PolarHBondContact OD1-N 3.39Å; N111-Y336 VanDerWaalsContact CB-O 3.27Å; N111-Y336 WeakPolarHBondContact CB-O 3.43Å
112K93.3Very high97.7Very high205 Ų20534.1 Ų34.189%0.89118%0.18SC*.SBendtrans-67.6-32.2-180-67.4-173.3177-1760113.4P110P110-K112 PolarHBondContact O-N 3.44Å
113S95.1Very high97.4Very high109 Ų10939.2 Ų39.276%0.76220%0.199SC*.SBendtrans-87.4-19.5-178.3-56.80000113.2N111N111-S113 VanDerWaalsContact C-N 3.34Å; N111-S113 PolarHBondContact O-N 3.12Å; N111-S113 PolarHBondContact OD1-N 3.42Å
114Q96.5Very high97.1Very high95 Ų9543.1 Ų43.144%0.44423%0.226SC..SBendtrans-131.691.2179.2-68.9-175.3-39.200108.9N111 Y336N111-Q114 HydrophobicContact CB-CB 4.37Å; N111-Q114 CarbonylContact O-C 3.51Å; N111-Q114 VanDerWaalsContact O-O 3.07Å; N111-Q114 PolarHBondContact OD1-N 3.39Å; Q114-Y336 HydrophobicContact CB-CD1 4.1Å; Q114-Y336 HydrophobicContact CB-CD2 3.98Å; Q114-Y336 HydrophobicContact CB-CE2 4.4Å; Q114-Y336 HydrophobicContact CB-CG 3.8Å; Q114-Y336 WeakPolarHBondContact O-CB 3.32Å
115P96.6Very high96.8Very high50 Ų5043.2 Ų43.233%0.32523%0.233SC..  trans-68.7150.8-175.228.3-34.5000111.4L133P115-L133 HydrophobicContact CB-CD2 4.21Å; P115-L133 HydrophobicContact CG-CD1 4.14Å; P115-L133 HydrophobicContact CG-CD2 4.14Å
116N98.6Very high96.8Very high7 Ų749.8 Ų49.84%0.03726%0.262CS..  trans-76.2139.3171.4-62.7-29.7000109.7H285 N334 I335 Y336 S337N116-H285 WeakPolarHBondContact CB-CE1 3.35Å; N116-N334 VanDerWaalsContact CA-O 3.27Å; N116-N334 WeakPolarHBondContact CA-O 3.49Å; N116-I335 HydrophobicContact CB-CD1 4.17Å; N116-I335 WeakPolarHBondContact OD1-CA 3.41Å; N116-Y336 PolarHBondContact OD1-N 3.46Å; N116-S337 PolarHBondContact ND2-OG 2.55Å
117Y98.7Very high96.7Very high41 Ų4152.7 Ų52.716%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-161.1166.2171.467.1-79.4000111.6E127 N130 L133 N334Y117-E127 WeakPolarHBondContact CE2-OE1 3.43Å; Y117-E127 PolarHBondContact OH-OE1 3.18Å; Y117-N130 HydrophobicContact CD2-CB 4.32Å; Y117-L133 HydrophobicContact CD1-CD2 4.33Å; Y117-L133 HydrophobicContact CG-CD2 4.22Å; Y117-N334 HydrophobicContact CD1-CB 3.89Å; Y117-N334 HydrophobicContact CE1-CB 3.66Å; Y117-N334 HydrophobicContact CE2-CB 4.44Å; Y117-N334 WeakPolarHBondContact CE2-ND2 3.43Å; Y117-N334 HydrophobicContact CG-CB 4.36Å; Y117-N334 PolarHBondContact N-O 3.05Å; Y117-N334 VanDerWaalsContact N-O 3.1Å; Y117-N334 PolarHBondContact O-N 3.36Å; Y117-N334 PolarHBondContact OH-ND2 3.09Å
118I98.8Very high96.7Very high0 Ų056.2 Ų56.20%030%0.297CS..EExtended strand (participates in β ladder)trans-113.2145.9171.1-65.4149.9000108.4N130 T131 I216 H285 I287 L295 V331 R332 M333I118-N130 WeakPolarHBondContact O-CA 3.32Å; I118-T131 HydrophobicContact CB-CG2 3.75Å; I118-T131 HydrophobicContact CG2-CG2 4.38Å; I118-T131 PolarHBondContact N-OG1 3.11Å; I118-T131 PolarHBondContact O-N 2.67Å; I118-T131 PolarHBondContact O-OG1 2.8Å; I118-I216 HydrophobicContact CD1-CB 4.18Å; I118-I216 HydrophobicContact CD1-CD1 3.74Å; I118-I216 HydrophobicContact CD1-CG1 3.59Å; I118-I216 HydrophobicContact CD1-CG2 3.65Å; I118-I216 HydrophobicContact CG1-CD1 4.17Å; I118-I216 HydrophobicContact CG1-CG1 4.27Å; I118-I216 HydrophobicContact CG2-CD1 3.86Å; I118-H285 HydrophobicContact CD1-CB 4.19Å; I118-I287 HydrophobicContact CD1-CG2 3.54Å; I118-L295 HydrophobicContact CG2-CD1 4.31Å; I118-L295 HydrophobicContact CG2-CD2 4.35Å; I118-V331 HydrophobicContact CG2-CG1 3.62Å; I118-R332 WeakPolarHBondContact CA-O 3.44Å; I118-M333 HydrophobicContact CG1-CG 4.26Å
119S98.6Very high96.7Very high0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-129.9152.7176.358.90000111.8F129 N130 V331 R332S119-F129 CarbonylContact C-O 3.55Å; S119-F129 WeakPolarHBondContact CA-O 3.36Å; S119-F129 WeakPolarHBondContact CB-O 3.32Å; S119-N130 WeakPolarHBondContact CB-OD1 3.35Å; S119-V331 CarbonylContact O-C 3.39Å; S119-V331 WeakPolarHBondContact O-CA 3.19Å; S119-R332 PolarHBondContact N-O 3.19Å; S119-R332 PolarHBondContact O-N 3.5Å; S119-R332 WeakPolarHBondContact OG-CB 3.4Å; S119-R332 PolarHBondContact OG-O 2.88Å
120I98.7Very high96.7Very high9 Ų960.1 Ų60.15%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-96.9130.1158.2-61169.7000106.7E127 V128 F129 L295 F322 Q329 K330I120-E127 WeakPolarHBondContact O-CA 3.44Å; I120-V128 HydrophobicContact CB-CG2 3.95Å; I120-V128 HydrophobicContact CG2-CG2 3.68Å; I120-V128 VanDerWaalsContact O-CG2 3.29Å; I120-V128 WeakPolarHBondContact O-CG2 3.37Å; I120-V128 PolarHBondContact O-N 3.35Å; I120-F129 HydrophobicContact CB-CB 4.24Å; I120-F129 HydrophobicContact CD1-CB 4.21Å; I120-F129 HydrophobicContact CD1-CD1 4.02Å; I120-F129 HydrophobicContact CD1-CG 4.43Å; I120-F129 HydrophobicContact CG1-CB 4.41Å; I120-F129 HydrophobicContact CG1-CD1 4.12Å; I120-F129 PolarHBondContact N-O 3.44Å; I120-L295 HydrophobicContact CD1-CD2 3.98Å; I120-L295 HydrophobicContact CG1-CD2 3.76Å; I120-F322 HydrophobicContact CD1-CZ 4.22Å; I120-F322 HydrophobicContact CG1-CZ 4.25Å; I120-F322 HydrophobicContact CG2-CE2 4.09Å; I120-Q329 HydrophobicContact CG2-CB 3.78Å; I120-Q329 HydrophobicContact CG2-CG 4.22Å; I120-Q329 VanDerWaalsContact CG2-OE1 3.32Å; I120-K330 CarbonylContact C-O 3.57Å; I120-K330 WeakPolarHBondContact CA-O 3.37Å
121V98.1Very high96.7Very high0 Ų059.6 Ų59.60%031%0.314CS..EExtended strand (participates in β ladder)trans-115.5144.7178.2-61.80000110.8K126 E127 E161 Q329 K330 R332V121-K126 CarbonylContact C-O 3.51Å; V121-K126 VanDerWaalsContact CA-O 3.26Å; V121-K126 WeakPolarHBondContact CA-O 3.43Å; V121-E127 HydrophobicContact CG1-CG 4.05Å; V121-E161 HydrophobicContact CG2-CG 4.11Å; V121-Q329 CarbonylContact O-C 3.53Å; V121-Q329 WeakPolarHBondContact O-CA 3.31Å; V121-Q329 WeakPolarHBondContact O-CB 3.26Å; V121-K330 HydrophobicContact CG2-CB 3.99Å; V121-K330 PolarHBondContact N-O 3.15Å; V121-K330 PolarHBondContact O-N 3.4Å; V121-R332 HydrophobicContact CG1-CB 4.25Å
122D95.6Very high96.7Very high31 Ų3160.4 Ų60.417%0.16632%0.323CS..  trans-83.9-178.3173.771.320.8000112.8S124 G125 K126 V128D122-S124 PolarHBondContact O-N 3.03Å; D122-S124 VanDerWaalsContact O-N 3.14Å; D122-S124 WeakPolarHBondContact OD1-CA 3.32Å; D122-S124 WeakPolarHBondContact OD1-CB 3.35Å; D122-S124 PolarHBondContact OD1-N 3.12Å; D122-S124 PolarHBondContact OD1-OG 3.07Å; D122-G125 PolarHBondContact O-N 3.14Å; D122-G125 PolarHBondContact OD1-N 2.95Å; D122-K126 PolarHBondContact N-O 3.37Å; D122-K126 PolarHBondContact OD1-N 3.24Å; D122-K126 VanDerWaalsContact OD1-N 3.11Å; D122-V128 HydrophobicContact CB-CG1 4.14Å
123H92.5Very high96.9Very high156 Ų15655.1 Ų55.172%0.72230%0.304SS*.THydrogen-bonded Turntrans-59.8-20.417967.4-79.3000114.7G125H123-G125 VanDerWaalsContact C-N 3.34Å
124S93.3Very high97Very high83 Ų8352.5 Ų52.558%0.5829%0.29SS*.THydrogen-bonded Turntrans-90.2-2.9175.274.70000112.7D122 K126D122-S124 PolarHBondContact O-N 3.03Å; D122-S124 VanDerWaalsContact O-N 3.14Å; D122-S124 WeakPolarHBondContact OD1-CA 3.32Å; D122-S124 WeakPolarHBondContact OD1-CB 3.35Å; D122-S124 PolarHBondContact OD1-N 3.12Å; D122-S124 PolarHBondContact OD1-OG 3.07Å; S124-K126 VanDerWaalsContact C-N 3.31Å
125G92.8Very high97Very high28 Ų2848.6 Ų48.629%0.28927%0.271SS..SBendtrans81.18.8-175.400000113.9D122 H123 R332D122-G125 PolarHBondContact O-N 3.14Å; D122-G125 PolarHBondContact OD1-N 2.95Å; H123-G125 VanDerWaalsContact C-N 3.34Å; G125-R332 PolarHBondContact O-NH2 3.05Å
126K96.8Very high96.9Very high138 Ų13849.8 Ų49.860%0.628%0.279SS*.  trans-77.8132.1178.3-179.4-176.8176.4-176.70110.3V121 D122 S124 V128V121-K126 CarbonylContact C-O 3.51Å; V121-K126 VanDerWaalsContact CA-O 3.26Å; V121-K126 WeakPolarHBondContact CA-O 3.43Å; D122-K126 PolarHBondContact N-O 3.37Å; D122-K126 PolarHBondContact OD1-N 3.24Å; D122-K126 VanDerWaalsContact OD1-N 3.11Å; S124-K126 VanDerWaalsContact C-N 3.31Å; K126-V128 PolarHBondContact O-N 3.27Å
127E97.7Very high96.8Very high63 Ų6352.9 Ų52.929%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-67.7123.5174.1-63.7-179.1170.500110.4Y117 I120 V121 N130Y117-E127 WeakPolarHBondContact CE2-OE1 3.43Å; Y117-E127 PolarHBondContact OH-OE1 3.18Å; I120-E127 WeakPolarHBondContact O-CA 3.44Å; V121-E127 HydrophobicContact CG1-CG 4.05Å; E127-N130 PolarHBondContact OE2-ND2 3.28Å; E127-N130 PolarHBondContact OE2-OD1 3.22Å
128V97.3Very high96.6Very high74 Ų7451.1 Ų51.145%0.44829%0.292SS..EExtended strand (participates in β ladder)trans-109.9-14.1178.8-64.10000112.9I120 D122 K126I120-V128 HydrophobicContact CB-CG2 3.95Å; I120-V128 HydrophobicContact CG2-CG2 3.68Å; I120-V128 VanDerWaalsContact O-CG2 3.29Å; I120-V128 WeakPolarHBondContact O-CG2 3.37Å; I120-V128 PolarHBondContact O-N 3.35Å; D122-V128 HydrophobicContact CB-CG1 4.14Å; K126-V128 PolarHBondContact O-N 3.27Å
129F98.1Very high96.4Very high42 Ų4258 Ų5818%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-154.4138.7172.5167.1-100.6000108.6S119 I120 T131 D291 H294 L295S119-F129 CarbonylContact C-O 3.55Å; S119-F129 WeakPolarHBondContact CA-O 3.36Å; S119-F129 WeakPolarHBondContact CB-O 3.32Å; I120-F129 HydrophobicContact CB-CB 4.24Å; I120-F129 HydrophobicContact CD1-CB 4.21Å; I120-F129 HydrophobicContact CD1-CD1 4.02Å; I120-F129 HydrophobicContact CD1-CG 4.43Å; I120-F129 HydrophobicContact CG1-CB 4.41Å; I120-F129 HydrophobicContact CG1-CD1 4.12Å; I120-F129 PolarHBondContact N-O 3.44Å; F129-T131 HydrophobicContact CE1-CG2 3.83Å; F129-T131 HydrophobicContact CZ-CG2 4.24Å; F129-D291 HydrophobicContact CZ-CB 4.41Å; F129-H294 HydrophobicContact CD1-CB 4.28Å; F129-H294 HydrophobicContact CD2-CB 4.19Å; F129-H294 HydrophobicContact CE1-CB 3.83Å; F129-H294 HydrophobicContact CE2-CB 3.72Å; F129-H294 AromaticContact CE2-CD2 3.75Å; F129-H294 AromaticContact CE2-CG 3.63Å; F129-H294 HydrophobicContact CG-CB 4.45Å; F129-H294 HydrophobicContact CZ-CB 3.53Å; F129-H294 AromaticContact CZ-CD2 3.99Å; F129-H294 AromaticContact CZ-CG 3.87Å; F129-L295 HydrophobicContact CE1-CD2 4.41Å
130N98.4Very high96.2Very high71 Ų7161 Ų6138%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-126.8140.4173.7-70.8-16.3000109.3Y117 I118 S119 E127Y117-N130 HydrophobicContact CD2-CB 4.32Å; I118-N130 WeakPolarHBondContact O-CA 3.32Å; S119-N130 WeakPolarHBondContact CB-OD1 3.35Å; E127-N130 PolarHBondContact OE2-ND2 3.28Å; E127-N130 PolarHBondContact OE2-OD1 3.22Å
131T98.6Very high96.1Very high6 Ų661.3 Ų61.34%0.03736%0.355CS..  trans-71.3163.2173.861.40000111.6I118 F129 I287 D291I118-T131 HydrophobicContact CB-CG2 3.75Å; I118-T131 HydrophobicContact CG2-CG2 4.38Å; I118-T131 PolarHBondContact N-OG1 3.11Å; I118-T131 PolarHBondContact O-N 2.67Å; I118-T131 PolarHBondContact O-OG1 2.8Å; F129-T131 HydrophobicContact CE1-CG2 3.83Å; F129-T131 HydrophobicContact CZ-CG2 4.24Å; T131-I287 HydrophobicContact CG2-CG2 4.16Å; T131-D291 HydrophobicContact CG2-CB 3.98Å
132S97.7Very high96Very high60 Ų6067.1 Ų67.142%0.4238%0.382SS..  trans-59139.7174.8-52.10000111D291S132-D291 WeakPolarHBondContact CB-OD2 3.42Å; S132-D291 PolarHBondContact N-OD2 2.79Å; S132-D291 PolarHBondContact OG-OD2 3Å
133L97.4Very high95.9Very high94 Ų9473.4 Ų73.449%0.49242%0.416SS..SBendtrans-82.3-23.8177.7-57.9-177.3000112.8P115 Y117 P149P115-L133 HydrophobicContact CB-CD2 4.21Å; P115-L133 HydrophobicContact CG-CD1 4.14Å; P115-L133 HydrophobicContact CG-CD2 4.14Å; Y117-L133 HydrophobicContact CD1-CD2 4.33Å; Y117-L133 HydrophobicContact CG-CD2 4.22Å; L133-P149 WeakPolarHBondContact O-CB 3.25Å
134A96.4Very high96.1Very high55 Ų5567.2 Ų67.246%0.45539%0.389SS..SBendtrans-153.4162.1179.900000109.8
135E96.8Very high95.9Very high13 Ų1369.1 Ų69.16%0.06140%0.403CS..PPolyproline II helixtrans-73.1149.8169.3-67.2168109.800110.5V137 P150 G241 G242 A243 R245 S543 V544E135-V137 PolarHBondContact O-N 2.98Å; E135-P150 HydrophobicContact CG-CG 3.74Å; E135-G241 WeakPolarHBondContact CG-O 3.46Å; E135-G242 VanDerWaalsContact OE1-CA 3.27Å; E135-G242 WeakPolarHBondContact OE1-CA 3.28Å; E135-A243 HydrophobicContact CG-CB 4.48Å; E135-A243 PolarHBondContact OE1-N 3.43Å; E135-R245 IonicContact OE2-CZ 3.6Å; E135-R245 IonicContact OE2-NH1 3.76Å; E135-R245 PolarHBondContact OE2-NH1 2.98Å; E135-R245 IonicContact OE2-NH2 3.43Å; E135-R245 PolarHBondContact OE2-NH2 3.21Å; E135-S543 VanDerWaalsContact OE1-CB 3.32Å; E135-S543 WeakPolarHBondContact OE1-CB 3.47Å; E135-V544 HydrophobicContact CB-CB 4.28Å; E135-V544 HydrophobicContact CB-CG1 3.61Å; E135-V544 HydrophobicContact CG-CG1 4.28Å; E135-V544 PolarHBondContact OE1-N 3.44Å; E135-V544 WeakPolarHBondContact OE2-CB 3.25Å; E135-V544 PolarHBondContact OE2-N 3.39Å
136P94.7Very high95.9Very high75 Ų7571.1 Ų71.149%0.48741%0.406SS..PPolyproline II helixtrans-54.8130.7165.8-23.933.4000111Y545P136-Y545 PolarHBondContact O-OH 3.23Å
137V95.4Very high95.9Very high72 Ų7266.3 Ų66.344%0.43639%0.387SS..PPolyproline II helixtrans-67.3130.1179.4-178.50000109.3E135 Y141 I147E135-V137 PolarHBondContact O-N 2.98Å; V137-Y141 VanDerWaalsContact CG1-O 3.29Å; V137-Y141 WeakPolarHBondContact CG1-O 3.38Å; V137-I147 HydrophobicContact CG1-CD1 4.07Å; V137-I147 HydrophobicContact CG2-CD1 4.28Å
138P95.6Very high95.9Very high4 Ų464.2 Ų64.23%0.02638%0.378CS..PPolyproline II helixtrans-60.3146.5175.8-23.132.7000112.3G140 Y141 Y232 V544 Y545 T547P138-G140 PolarHBondContact O-N 2.89Å; P138-Y141 HydrophobicContact CB-CD2 4.03Å; P138-Y141 PolarHBondContact O-N 3.21Å; P138-Y141 VanDerWaalsContact O-N 3.15Å; P138-Y232 HydrophobicContact CB-CE1 3.99Å; P138-V544 VanDerWaalsContact CD-CG2 3.45Å; P138-V544 HydrophobicContact CG-CB 4.37Å; P138-V544 HydrophobicContact CG-CG1 3.95Å; P138-V544 HydrophobicContact CG-CG2 3.87Å; P138-V544 WeakPolarHBondContact CG-O 3.44Å; P138-Y545 HydrophobicContact CB-CD1 4.38Å; P138-Y545 HydrophobicContact CG-CD1 3.85Å; P138-Y545 HydrophobicContact CG-CE1 4.19Å; P138-T547 HydrophobicContact CB-CG2 4.2Å; P138-T547 HydrophobicContact CG-CG2 4.24Å
139Q93.3Very high96Very high144 Ų14462.6 Ų62.667%0.67337%0.37SS*.THydrogen-bonded Turntrans-56.3133.7175.1-175.1-177.41.700111.3E142Q139-E142 WeakPolarHBondContact CA-OE1 3.4Å
140G94.6Very high96Very high63 Ų6361.2 Ų61.265%0.64937%0.365SS*.THydrogen-bonded Turntrans91-2.4-177.500000114.5P138 E142P138-G140 PolarHBondContact O-N 2.89Å; G140-E142 VanDerWaalsContact C-OE2 3.25Å; G140-E142 WeakPolarHBondContact CA-OE2 3.41Å; G140-E142 VanDerWaalsContact N-CD 3.34Å; G140-E142 PolarHBondContact N-OE1 3.45Å; G140-E142 VanDerWaalsContact N-OE1 3.14Å; G140-E142 PolarHBondContact N-OE2 2.97Å
141Y96.7Very high96Very high16 Ų1657.8 Ų57.86%0.06335%0.346CS..  trans-120.515.8179.6-62.9-95.7000112.5V137 P138 D143 V144 F372 T547 E549V137-Y141 VanDerWaalsContact CG1-O 3.29Å; V137-Y141 WeakPolarHBondContact CG1-O 3.38Å; P138-Y141 HydrophobicContact CB-CD2 4.03Å; P138-Y141 PolarHBondContact O-N 3.21Å; P138-Y141 VanDerWaalsContact O-N 3.15Å; Y141-D143 PolarHBondContact O-N 3.33Å; Y141-V144 HydrophobicContact CD1-CG2 4.16Å; Y141-V144 VanDerWaalsContact O-CB 3.31Å; Y141-V144 WeakPolarHBondContact O-CB 3.48Å; Y141-V144 WeakPolarHBondContact O-CG2 3.32Å; Y141-V144 PolarHBondContact O-N 2.91Å; Y141-F372 AromaticContact CD1-CD1 3.96Å; Y141-F372 HydrophobicContact CD1-CD1 3.96Å; Y141-F372 HydrophobicContact CD1-CD2 4.42Å; Y141-F372 AromaticContact CD1-CE1 3.28Å; Y141-F372 HydrophobicContact CD1-CE1 3.28Å; Y141-F372 AromaticContact CD1-CE2 3.83Å; Y141-F372 HydrophobicContact CD1-CE2 3.83Å; Y141-F372 HydrophobicContact CD1-CG 4.49Å; Y141-F372 AromaticContact CD1-CZ 3.22Å; Y141-F372 HydrophobicContact CD1-CZ 3.22Å; Y141-F372 AromaticContact CE1-CD1 3.78Å; Y141-F372 HydrophobicContact CE1-CD1 3.78Å; Y141-F372 HydrophobicContact CE1-CD2 4.32Å; Y141-F372 AromaticContact CE1-CE1 3.61Å; Y141-F372 HydrophobicContact CE1-CE1 3.61Å; Y141-F372 HydrophobicContact CE1-CE2 4.18Å; Y141-F372 HydrophobicContact CE1-CG 4.14Å; Y141-F372 AromaticContact CE1-CZ 3.84Å; Y141-F372 HydrophobicContact CE1-CZ 3.84Å; Y141-F372 HydrophobicContact CG-CE1 4.26Å; Y141-F372 HydrophobicContact CG-CE2 4.14Å; Y141-F372 AromaticContact CG-CZ 3.75Å; Y141-F372 HydrophobicContact CG-CZ 3.75Å; Y141-T547 HydrophobicContact CD2-CG2 4.25Å; Y141-T547 HydrophobicContact CE2-CG2 3.62Å; Y141-E549 WeakPolarHBondContact CE2-OE2 3.4Å; Y141-E549 PolarHBondContact OH-OE2 2.96Å
142E95.9Very high96Very high121 Ų12157.6 Ų57.657%0.56535%0.345SS*.THydrogen-bonded Turntrans-60.6-30.8-174.7-63.383.9173.400113.2Q139 G140 V144Q139-E142 WeakPolarHBondContact CA-OE1 3.4Å; G140-E142 VanDerWaalsContact C-OE2 3.25Å; G140-E142 WeakPolarHBondContact CA-OE2 3.41Å; G140-E142 VanDerWaalsContact N-CD 3.34Å; G140-E142 PolarHBondContact N-OE1 3.45Å; G140-E142 VanDerWaalsContact N-OE1 3.14Å; G140-E142 PolarHBondContact N-OE2 2.97Å; E142-V144 VanDerWaalsContact C-N 3.3Å; E142-V144 PolarHBondContact O-N 2.8Å
143D94.4Very high96.1Very high164 Ų16454.7 Ų54.788%0.87733%0.325SS*.THydrogen-bonded Turntrans-84.4-0.4179.4-64.8-36.9000113.4Y141 S145Y141-D143 PolarHBondContact O-N 3.33Å; D143-S145 PolarHBondContact O-N 3.25Å
144V95.3Very high96.1Very high26 Ų2650.3 Ų50.316%0.15830%0.302CS..  trans-83.9109.3-178.8-177.10000110.5P71 Y141 E142 N146 I147 F372P71-V144 VanDerWaalsContact CD-CG1 3.41Å; P71-V144 HydrophobicContact CG-CG1 3.67Å; Y141-V144 HydrophobicContact CD1-CG2 4.16Å; Y141-V144 VanDerWaalsContact O-CB 3.31Å; Y141-V144 WeakPolarHBondContact O-CB 3.48Å; Y141-V144 WeakPolarHBondContact O-CG2 3.32Å; Y141-V144 PolarHBondContact O-N 2.91Å; E142-V144 VanDerWaalsContact C-N 3.3Å; E142-V144 PolarHBondContact O-N 2.8Å; V144-N146 WeakPolarHBondContact CG1-OD1 3.27Å; V144-I147 HydrophobicContact CB-CD1 4.32Å; V144-I147 HydrophobicContact CB-CG1 4.4Å; V144-I147 HydrophobicContact CG1-CD1 4.25Å; V144-I147 HydrophobicContact CG1-CG1 3.82Å; V144-F372 HydrophobicContact CG1-CE1 4.13Å; V144-F372 HydrophobicContact CG1-CZ 4.35Å; V144-F372 HydrophobicContact CG2-CE1 4.39Å
145S89.5Confident96.2Very high123 Ų12347.8 Ų47.886%0.8628%0.281SS*.  trans-91.8-11.5-171.557.90000115.8D143D143-S145 PolarHBondContact O-N 3.25Å
146N92.7Very high96.2Very high69 Ų6948.9 Ų48.937%0.36929%0.289SS..  trans-108.421.4-171.867.4-39.3000114.3P71 V144 V148P71-N146 WeakPolarHBondContact CD-OD1 3.45Å; V144-N146 WeakPolarHBondContact CG1-OD1 3.27Å; N146-V148 PolarHBondContact O-N 2.95Å
147I97.6Very high96.4Very high38 Ų3850.9 Ų50.920%0.19529%0.29CS..PPolyproline II helixtrans-65.9118.5173.4-60.7174.1000109P71 V137 V144 V371 F372 V544P71-I147 HydrophobicContact CG-CG1 3.97Å; V137-I147 HydrophobicContact CG1-CD1 4.07Å; V137-I147 HydrophobicContact CG2-CD1 4.28Å; V144-I147 HydrophobicContact CB-CD1 4.32Å; V144-I147 HydrophobicContact CB-CG1 4.4Å; V144-I147 HydrophobicContact CG1-CD1 4.25Å; V144-I147 HydrophobicContact CG1-CG1 3.82Å; I147-V371 HydrophobicContact CG1-CG1 4.33Å; I147-V371 HydrophobicContact CG2-CG1 4.05Å; I147-F372 HydrophobicContact CD1-CE2 4.43Å; I147-F372 HydrophobicContact CD1-CZ 3.95Å; I147-F372 HydrophobicContact CG1-CZ 4.2Å; I147-V544 HydrophobicContact CD1-CG2 4.05Å; I147-V544 HydrophobicContact CG2-CG2 3.98Å
148V98.1Very high96.5Very high18 Ų1848.2 Ų48.211%0.10928%0.277CS..PPolyproline II helixtrans-69.8131.3175.669.20000109.5L73 P110 N146 Y151 R245 W370L73-V148 HydrophobicContact CD2-CB 4.23Å; L73-V148 HydrophobicContact CD2-CG1 4.2Å; L73-V148 HydrophobicContact CD2-CG2 4.23Å; P110-V148 HydrophobicContact CG-CG2 3.59Å; N146-V148 PolarHBondContact O-N 2.95Å; V148-Y151 HydrophobicContact CG1-CE1 4.43Å; V148-Y151 HydrophobicContact CG2-CD1 4.06Å; V148-Y151 HydrophobicContact CG2-CE1 3.63Å; V148-R245 VanDerWaalsContact O-CZ 3.28Å; V148-R245 PolarHBondContact O-NE 2.91Å; V148-R245 PolarHBondContact O-NH2 3.39Å; V148-W370 WeakPolarHBondContact CG1-O 3.29Å
149P98.4Very high96.6Very high41 Ų4152.5 Ų52.527%0.26630%0.297SS..PPolyproline II helixtrans-64.2160176.227.2-34.7000111P110 L133 Y151P110-P149 HydrophobicContact CB-CG 4.18Å; P110-P149 HydrophobicContact CG-CG 3.8Å; L133-P149 WeakPolarHBondContact O-CB 3.25Å; P149-Y151 WeakPolarHBondContact O-CD1 3.44Å; P149-Y151 PolarHBondContact O-N 3.35Å
150P98.6Very high96.8Very high12 Ų1246.7 Ų46.78%0.07827%0.271CS..SBendtrans-56.9130.5174.5-24.134.7000111.7E135 A243 H285 P286E135-P150 HydrophobicContact CG-CG 3.74Å; P150-A243 HydrophobicContact CB-CB 3.68Å; P150-A243 HydrophobicContact CG-CB 3.75Å; P150-H285 PolarHBondContact O-CE1 2.9Å; P150-H285 VanDerWaalsContact O-CE1 3.23Å; P150-P286 HydrophobicContact CB-CG 4.13Å
151Y98.8Very high97Very high0 Ų047.3 Ų47.30%026%0.257CS..  trans-158161175.177.2-64.9000110.2S108 P110 V148 P149 A153 W370 F415S108-Y151 PolarHBondContact O-OH 2.97Å; P110-Y151 HydrophobicContact CB-CG 4.42Å; P110-Y151 HydrophobicContact CG-CD1 4.14Å; P110-Y151 HydrophobicContact CG-CE1 4.39Å; P110-Y151 HydrophobicContact CG-CG 4.23Å; V148-Y151 HydrophobicContact CG1-CE1 4.43Å; V148-Y151 HydrophobicContact CG2-CD1 4.06Å; V148-Y151 HydrophobicContact CG2-CE1 3.63Å; P149-Y151 WeakPolarHBondContact O-CD1 3.44Å; P149-Y151 PolarHBondContact O-N 3.35Å; Y151-A153 HydrophobicContact CD2-CB 4.43Å; Y151-A153 HydrophobicContact CE2-CB 3.71Å; Y151-W370 HydrophobicContact CD1-CZ3 4.44Å; Y151-W370 HydrophobicContact CE1-CE3 4.05Å; Y151-W370 AromaticContact CE1-CZ3 3.49Å; Y151-W370 HydrophobicContact CE1-CZ3 3.49Å; Y151-W370 VanDerWaalsContact CE1-CZ3 3.49Å; Y151-W370 AromaticContact CZ-CZ3 3.59Å; Y151-W370 WeakPolarHBondContact OH-CZ3 3.44Å; Y151-F415 WeakPolarHBondContact OH-CZ 3.39Å
152S98.8Very high97Very high1 Ų146.9 Ų46.91%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-97.1109.9168.6-64.70000108.3S155 G246 P286S152-S155 VanDerWaalsContact O-CB 3.25Å; S152-S155 WeakPolarHBondContact O-CB 3.03Å; S152-S155 PolarHBondContact O-N 3.17Å; S152-G246 WeakPolarHBondContact CA-O 3.41Å; S152-P286 WeakPolarHBondContact OG-CD 3.48Å
153A98.7Very high97.1Very high0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-60.9141.2179.700000110.8Y151 S155 G246 N247 V248 W370 F415Y151-A153 HydrophobicContact CD2-CB 4.43Å; Y151-A153 HydrophobicContact CE2-CB 3.71Å; A153-S155 PolarHBondContact O-N 2.91Å; A153-G246 PolarHBondContact N-O 3.22Å; A153-G246 VanDerWaalsContact N-O 3.12Å; A153-N247 HydrophobicContact CB-CB 4.22Å; A153-V248 WeakPolarHBondContact O-CG2 3.47Å; A153-V248 PolarHBondContact O-N 2.79Å; A153-W370 HydrophobicContact CB-CH2 3.66Å; A153-W370 HydrophobicContact CB-CZ3 4.37Å; A153-F415 HydrophobicContact CB-CD1 4.09Å; A153-F415 HydrophobicContact CB-CE1 3.82Å
154Y98.5Very high97.3Very high2 Ų235 Ų351%0.00820%0.198CC..THydrogen-bonded Turntrans70.74.8-174.2-47.7-83.3000116.1L106 S108 N247 L249 L279 P280 F415 L418L106-Y154 HydrophobicContact CD2-CE1 4.44Å; L106-Y154 HydrophobicContact CG-CE1 4.31Å; L106-Y154 WeakPolarHBondContact O-CE1 3.35Å; L106-Y154 PolarHBondContact O-OH 3.37Å; S108-Y154 VanDerWaalsContact CB-N 3.25Å; S108-Y154 PolarHBondContact OG-N 2.91Å; Y154-N247 HydrophobicContact CD2-CB 4.01Å; Y154-N247 HydrophobicContact CE2-CB 3.95Å; Y154-L249 HydrophobicContact CD1-CD1 4.43Å; Y154-L249 HydrophobicContact CD1-CD2 4.06Å; Y154-L249 HydrophobicContact CD1-CG 4.37Å; Y154-L249 HydrophobicContact CD2-CD1 3.64Å; Y154-L249 HydrophobicContact CD2-CD2 3.87Å; Y154-L249 HydrophobicContact CD2-CG 3.37Å; Y154-L249 HydrophobicContact CE1-CD1 4.17Å; Y154-L249 HydrophobicContact CE2-CD1 3.31Å; Y154-L249 HydrophobicContact CE2-CD2 4.35Å; Y154-L249 HydrophobicContact CE2-CG 3.64Å; Y154-L249 HydrophobicContact CG-CD1 4.16Å; Y154-L249 HydrophobicContact CG-CD2 3.67Å; Y154-L249 HydrophobicContact CG-CG 3.74Å; Y154-L279 HydrophobicContact CD1-CD2 3.85Å; Y154-L279 HydrophobicContact CG-CD2 4.22Å; Y154-P280 WeakPolarHBondContact O-CD 2.94Å; Y154-P280 VanDerWaalsContact O-CG 3.24Å; Y154-P280 WeakPolarHBondContact O-CG 3.41Å; Y154-F415 HydrophobicContact CE2-CB 4.34Å; Y154-F415 AromaticContact CE2-CD1 3.86Å; Y154-F415 HydrophobicContact CE2-CD1 3.86Å; Y154-F415 WeakPolarHBondContact CE2-O 3.27Å; Y154-F415 AromaticContact CZ-CD1 3.93Å; Y154-F415 WeakPolarHBondContact OH-CB 3.45Å; Y154-F415 PolarHBondContact OH-O 3.38Å; Y154-L418 WeakPolarHBondContact OH-CD1 3.36Å
155S98.4Very high97.5Very high2 Ų233.7 Ų33.71%0.01419%0.19CC..PPolyproline II helixtrans-56.1128.2167.7173.90000110.2S152 A153 P283 V284S152-S155 VanDerWaalsContact O-CB 3.25Å; S152-S155 WeakPolarHBondContact O-CB 3.03Å; S152-S155 PolarHBondContact O-N 3.17Å; A153-S155 PolarHBondContact O-N 2.91Å; S155-P283 WeakPolarHBondContact OG-CA 3.4Å; S155-V284 WeakPolarHBondContact CB-O 3.38Å; S155-V284 PolarHBondContact OG-N 2.89Å; S155-V284 PolarHBondContact OG-O 2.88Å
156P97.3Very high98Very high36 Ų3627.9 Ų27.923%0.23415%0.149CC..PPolyproline II helixtrans-64.9155.7172.929.8-35.9000109.9I282P156-I282 VanDerWaalsContact CD-O 3.27Å; P156-I282 WeakPolarHBondContact CD-O 3.48Å; P156-I282 WeakPolarHBondContact CG-O 3.39Å
157K97.1Very high98.2Very high117 Ų11724.6 Ų24.651%0.50913%0.132SC..PPolyproline II helixtrans-65.4148.8169.3-64.2-177.6-178.4170.90110.2I335 S337 N338K157-I335 VanDerWaalsContact CA-O 3.24Å; K157-I335 WeakPolarHBondContact CA-O 3.39Å; K157-S337 VanDerWaalsContact CE-O 3.31Å; K157-S337 WeakPolarHBondContact CE-O 3.13Å; K157-S337 WeakPolarHBondContact CG-O 3.2Å; K157-N338 WeakPolarHBondContact CE-OD1 3.08Å; K157-N338 PolarHBondContact NZ-OD1 3.17Å
158G97.5Very high98.3Very high16 Ų1622.8 Ų22.817%0.16512%0.123CC..BIsolated β-bridgetrans166.8165170.600000114I335G158-I335 PolarHBondContact N-O 3.17Å; G158-I335 PolarHBondContact O-N 3.11Å
159H97.8Very high98.3Very high94 Ų9422.9 Ų22.944%0.43512%0.121SC..  trans-125.248-176.5-5582000113.1E161 M333 N334 Y336H159-E161 PolarHBondContact O-N 2.85Å; H159-M333 CarbonylContact C-O 3.59Å; H159-M333 WeakPolarHBondContact CA-O 3.41Å; H159-N334 PolarHBondContact CD2-OD1 2.87Å; H159-Y336 AromaticContact CE1-CE1 3.52Å; H159-Y336 AromaticContact CE1-CZ 3.85Å; H159-Y336 AromaticContact NE2-CE1 3.18Å; H159-Y336 WeakPolarHBondContact NE2-CE1 3.39Å; H159-Y336 AromaticContact NE2-CE2 3.86Å; H159-Y336 AromaticContact NE2-CZ 3.01Å; H159-Y336 PolarHBondContact NE2-OH 2.82Å
160P98.2Very high98.2Very high21 Ų2120.9 Ų20.914%0.13611%0.109CC..  trans-65.9135.1-176.529.1-35.1000110I190 K213 P283 R332 M333P160-I190 WeakPolarHBondContact O-CD1 3.48Å; P160-K213 HydrophobicContact CB-CD 4.14Å; P160-K213 HydrophobicContact CB-CG 4.06Å; P160-P283 HydrophobicContact CG-CB 4.34Å; P160-P283 HydrophobicContact CG-CG 3.96Å; P160-R332 WeakPolarHBondContact O-CA 3.24Å; P160-M333 HydrophobicContact CG-CB 3.99Å; P160-M333 HydrophobicContact CG-CG 4.27Å; P160-M333 HydrophobicContact CG-SD 4.15Å; P160-M333 PolarHBondContact O-N 2.82Å
161E98.3Very high98.1Very high76 Ų7622.5 Ų22.536%0.35511%0.113SC..EExtended strand (participates in β ladder)trans-122127.2174.5-178.9-178.2117.300110.2V121 H159 K213 K330 V331 R332V121-E161 HydrophobicContact CG2-CG 4.11Å; H159-E161 PolarHBondContact O-N 2.85Å; E161-K213 WeakPolarHBondContact O-CE 3.45Å; E161-K213 PolarHBondContact O-NZ 3.05Å; E161-K330 HydrophobicContact CG-CB 3.77Å; E161-K330 HydrophobicContact CG-CG 4.49Å; E161-V331 CarbonylContact C-O 3.56Å; E161-V331 VanDerWaalsContact CA-O 3.22Å; E161-V331 WeakPolarHBondContact CA-O 3.31Å; E161-R332 HydrophobicContact CB-CB 4.23Å; E161-R332 HydrophobicContact CB-CG 4.32Å; E161-R332 HydrophobicContact CG-CB 4.25Å; E161-R332 IonicContact OE2-CZ 2.86Å; E161-R332 VanDerWaalsContact OE2-CZ 3.24Å; E161-R332 IonicContact OE2-NE 2.74Å; E161-R332 PolarHBondContact OE2-NE 2.87Å; E161-R332 IonicContact OE2-NH2 3.75Å; E161-R332 PolarHBondContact OE2-NH2 2.98Å
162G97.6Very high97.9Very high7 Ų723.8 Ų23.87%0.07212%0.121CC..EExtended strand (participates in β ladder)trans-171.4-179.9177.900000114.5V331G162-V331 PolarHBondContact N-O 3.38Å; G162-V331 PolarHBondContact O-N 3.19Å
163D98.5Very high97.7Very high35 Ų3527.6 Ų27.619%0.18714%0.139CC..  trans-65.4144.2171.3-66.3-60.8000110.9K189 I190 P320 G321 K330D163-K189 HydrophobicContact CB-CD 4Å; D163-I190 PolarHBondContact O-N 2.75Å; D163-P320 HydrophobicContact CB-CB 4.13Å; D163-G321 WeakPolarHBondContact OD1-CA 3.42Å; D163-K330 WeakPolarHBondContact OD1-CD 3.38Å; D163-K330 IonicContact OD1-NZ 2.94Å; D163-K330 PolarHBondContact OD1-NZ 2.87Å; D163-K330 IonicContact OD2-NZ 3.91Å; D163-K330 PolarHBondContact OD2-NZ 3.43Å
164L98.7Very high97.6Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-87140.4177.3-164.663.7000110.5I190 I192 I216 L295 M299 P320 G321 V331L164-I190 CarbonylContact C-O 3.56Å; L164-I190 WeakPolarHBondContact CA-O 3.34Å; L164-I190 HydrophobicContact CD1-CB 4.29Å; L164-I190 HydrophobicContact CD1-CG2 3.89Å; L164-I192 HydrophobicContact CD1-CB 3.97Å; L164-I192 HydrophobicContact CD1-CG2 3.95Å; L164-I192 HydrophobicContact CD2-CB 4.45Å; L164-I192 HydrophobicContact CD2-CG2 3.88Å; L164-I192 HydrophobicContact CG-CB 4.37Å; L164-I192 HydrophobicContact CG-CG2 3.8Å; L164-I216 HydrophobicContact CD1-CD1 4.07Å; L164-L295 HydrophobicContact CD2-CB 3.99Å; L164-M299 HydrophobicContact CB-CE 4.33Å; L164-M299 HydrophobicContact CB-SD 3.82Å; L164-M299 HydrophobicContact CD2-SD 3.74Å; L164-M299 HydrophobicContact CG-CE 4.35Å; L164-M299 HydrophobicContact CG-SD 3.98Å; L164-M299 WeakPolarHBondContact O-CE 3.23Å; L164-P320 WeakPolarHBondContact O-CA 3.11Å; L164-G321 PolarHBondContact O-N 3.43Å; L164-V331 HydrophobicContact CB-CG2 3.96Å; L164-V331 HydrophobicContact CD1-CG2 4.26Å; L164-V331 HydrophobicContact CD2-CG2 4.16Å; L164-V331 HydrophobicContact CG-CG2 4.36Å
165V98.8Very high97.6Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-128.6128.6170.3-178.60000109.2V167 L178 I184 V186 K189 I190 V191 I192 T318 P320V165-V167 HydrophobicContact CG1-CG2 4.03Å; V165-L178 HydrophobicContact CG1-CD1 4.21Å; V165-I184 HydrophobicContact CG1-CG2 4.05Å; V165-V186 HydrophobicContact CB-CG1 4.36Å; V165-V186 HydrophobicContact CG1-CG1 4Å; V165-K189 HydrophobicContact CG2-CB 4.01Å; V165-K189 HydrophobicContact CG2-CG 4.13Å; V165-I190 PolarHBondContact N-O 2.84Å; V165-V191 HydrophobicContact CB-CG1 4.48Å; V165-V191 CarbonylContact O-C 3.55Å; V165-V191 VanDerWaalsContact O-CA 3.3Å; V165-V191 WeakPolarHBondContact O-CA 3.33Å; V165-I192 PolarHBondContact O-N 3.19Å; V165-T318 CarbonylContact C-O 3.36Å; V165-T318 VanDerWaalsContact CA-O 3.26Å; V165-T318 WeakPolarHBondContact CA-O 3.4Å; V165-T318 VanDerWaalsContact CG1-O 3.29Å; V165-T318 WeakPolarHBondContact CG1-O 3.44Å; V165-P320 HydrophobicContact CG2-CB 4Å
166Y98.8Very high97.4Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-85.4125.8173.6172-120000110.2I192 R194 F218 L296 W308 Y316 T318Y166-I192 WeakPolarHBondContact CA-O 3.33Å; Y166-I192 HydrophobicContact CD2-CG2 4.25Å; Y166-I192 WeakPolarHBondContact CD2-O 3.4Å; Y166-R194 PolarHBondContact OH-NE 2.87Å; Y166-F218 HydrophobicContact CE2-CE1 4.27Å; Y166-F218 HydrophobicContact CE2-CZ 4.44Å; Y166-L296 HydrophobicContact CD2-CD2 4.4Å; Y166-L296 HydrophobicContact CG-CD2 4.49Å; Y166-W308 HydrophobicContact CD1-CE3 4.27Å; Y166-W308 HydrophobicContact CE1-CB 4.3Å; Y166-W308 HydrophobicContact CE1-CE3 4.18Å; Y166-W308 WeakPolarHBondContact CE1-O 3.09Å; Y166-W308 WeakPolarHBondContact O-CZ3 3.31Å; Y166-W308 PolarHBondContact OH-O 2.94Å; Y166-Y316 HydrophobicContact CD1-CD1 4.33Å; Y166-Y316 WeakPolarHBondContact CD1-O 2.9Å; Y166-Y316 AromaticContact CE1-CD1 3.71Å; Y166-Y316 HydrophobicContact CE1-CD1 3.71Å; Y166-Y316 HydrophobicContact CE1-CG 4.41Å; Y166-Y316 HydrophobicContact CE2-CD1 4.35Å; Y166-Y316 AromaticContact CZ-CD1 3.71Å; Y166-T318 PolarHBondContact N-O 2.97Å
167V98.5Very high97.3Very high0 Ų029.9 Ų29.90%015%0.147CC..  trans-124.337.4-172.6-1640000111.9V165 Y169 G170 D174 F175 L178 V186 V191 I192 V193V165-V167 HydrophobicContact CG1-CG2 4.03Å; V167-Y169 PolarHBondContact O-N 3.22Å; V167-Y169 VanDerWaalsContact O-N 3.11Å; V167-G170 PolarHBondContact O-N 2.93Å; V167-D174 HydrophobicContact CG1-CB 4.16Å; V167-F175 HydrophobicContact CB-CE1 4.42Å; V167-F175 HydrophobicContact CB-CZ 4.39Å; V167-F175 HydrophobicContact CG1-CD1 3.86Å; V167-F175 HydrophobicContact CG1-CD2 4.18Å; V167-F175 HydrophobicContact CG1-CE1 3.69Å; V167-F175 HydrophobicContact CG1-CE2 4.03Å; V167-F175 HydrophobicContact CG1-CG 4.1Å; V167-F175 HydrophobicContact CG1-CZ 3.76Å; V167-F175 HydrophobicContact CG2-CE1 4.24Å; V167-L178 HydrophobicContact CB-CD1 4Å; V167-L178 HydrophobicContact CG1-CD1 3.47Å; V167-L178 VanDerWaalsContact CG1-CD1 3.47Å; V167-L178 HydrophobicContact CG2-CD1 3.68Å; V167-V186 HydrophobicContact CG2-CG1 4.36Å; V167-V191 HydrophobicContact CG2-CB 3.76Å; V167-V191 HydrophobicContact CG2-CG1 3.72Å; V167-I192 PolarHBondContact N-O 3.26Å; V167-V193 HydrophobicContact CB-CG1 3.98Å
168N98.4Very high97.3Very high1 Ų124.4 Ų24.41%0.00512%0.123CC..THydrogen-bonded Turntrans50.4-120.7176.9-167.720.3000112.1R171 D174 V193 R194 W308N168-R171 PolarHBondContact ND2-NH2 3.32Å; N168-D174 HydrophobicContact CB-CB 4.3Å; N168-D174 PolarHBondContact ND2-OD1 3.03Å; N168-V193 CarbonylContact O-C 3.47Å; N168-V193 WeakPolarHBondContact O-CA 3.33Å; N168-R194 WeakPolarHBondContact O-CG 3.13Å; N168-R194 PolarHBondContact O-N 3.39Å; N168-R194 PolarHBondContact OD1-NE 3.49Å; N168-R194 PolarHBondContact OD1-NH2 3.25Å; N168-W308 HydrophobicContact CB-CB 4.43Å; N168-W308 HydrophobicContact CB-CD2 3.47Å; N168-W308 VanDerWaalsContact CB-CD2 3.47Å; N168-W308 HydrophobicContact CB-CE3 3.63Å; N168-W308 HydrophobicContact CB-CG 3.86Å; N168-W308 HydrophobicContact CB-CH2 4.09Å; N168-W308 HydrophobicContact CB-CZ2 4.03Å; N168-W308 HydrophobicContact CB-CZ3 3.94Å
169Y97.9Very high97.2Very high19 Ų1929.9 Ų29.98%0.07514%0.144CC..THydrogen-bonded Turntrans-91.52.1177.7-62.8-80.2000113.3V167 R171 D174 R194 Y195 K197 K203 D223V167-Y169 PolarHBondContact O-N 3.22Å; V167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.39Å; Y169-D174 PolarHBondContact N-OD2 2.93Å; Y169-R194 HydrophobicContact CD1-CG 3.74Å; Y169-R194 HydrophobicContact CE1-CG 3.87Å; Y169-R194 HydrophobicContact CG-CG 4.24Å; Y169-R194 VanDerWaalsContact CZ-NE 3.29Å; Y169-Y195 WeakPolarHBondContact CD1-O 3.2Å; Y169-Y195 WeakPolarHBondContact CE1-O 3.38Å; Y169-K197 HydrophobicContact CD1-CB 4.35Å; Y169-K197 HydrophobicContact CD1-CG 3.62Å; Y169-K197 HydrophobicContact CD2-CG 3.73Å; Y169-K197 HydrophobicContact CE1-CD 4.49Å; Y169-K197 HydrophobicContact CE1-CG 3.74Å; Y169-K197 HydrophobicContact CE2-CG 3.88Å; Y169-K197 HydrophobicContact CG-CB 4.27Å; Y169-K197 HydrophobicContact CG-CG 3.61Å; Y169-K197 VanDerWaalsContact CZ-CE 3.5Å; Y169-K197 WeakPolarHBondContact OH-CE 3.44Å; Y169-K203 WeakPolarHBondContact O-CD 3.47Å; Y169-K203 WeakPolarHBondContact O-CG 3.44Å; Y169-K203 PolarHBondContact O-NZ 3.11Å; Y169-D223 WeakPolarHBondContact CE1-OD2 3.43Å; Y169-D223 VanDerWaalsContact OH-CG 3.3Å; Y169-D223 PolarHBondContact OH-OD1 3.36Å; Y169-D223 PolarHBondContact OH-OD2 2.93Å
170G97.8Very high97.1Very high0 Ų031.1 Ų31.10%015%0.145CC..  trans6526.7-177.800000114V167 D174 N206V167-G170 PolarHBondContact O-N 2.93Å; G170-D174 PolarHBondContact N-OD2 3.18Å; G170-N206 PolarHBondContact O-ND2 2.85Å
171R96.5Very high96.9Very high45 Ų4536.9 Ų36.917%0.1717%0.17CC..  trans-75.7164.7175.3-54.9168.8-65.2156.1-0.1110.5N168 Y169 E173 D174 F175 I198N168-R171 PolarHBondContact ND2-NH2 3.32Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.39Å; R171-E173 HydrophobicContact CB-CG 4.11Å; R171-E173 WeakPolarHBondContact CB-OE2 3.36Å; R171-E173 WeakPolarHBondContact CD-OE1 3.48Å; R171-E173 IonicContact CZ-OE1 3.11Å; R171-E173 IonicContact NE-OE1 3.73Å; R171-E173 PolarHBondContact NE-OE1 2.74Å; R171-E173 IonicContact NH1-OE1 2.71Å; R171-E173 PolarHBondContact NH1-OE1 3.4Å; R171-E173 IonicContact NH2-OE1 3.58Å; R171-E173 PolarHBondContact O-N 3.28Å; R171-D174 WeakPolarHBondContact CB-OD2 3.24Å; R171-D174 WeakPolarHBondContact CG-OD2 3.34Å; R171-D174 IonicContact CZ-OD1 3.38Å; R171-D174 IonicContact CZ-OD2 3.37Å; R171-D174 PolarHBondContact N-OD2 3.31Å; R171-D174 IonicContact NE-OD1 3.58Å; R171-D174 PolarHBondContact NE-OD1 3.41Å; R171-D174 IonicContact NE-OD2 2.77Å; R171-D174 PolarHBondContact NE-OD2 2.89Å; R171-D174 IonicContact NH2-OD1 2.77Å; R171-D174 PolarHBondContact NH2-OD1 2.87Å; R171-D174 IonicContact NH2-OD2 3.18Å; R171-D174 WeakPolarHBondContact O-CB 3.24Å; R171-D174 PolarHBondContact O-N 3.45Å; R171-F175 WeakPolarHBondContact O-CD2 3.14Å; R171-F175 PolarHBondContact O-N 2.8Å; R171-I198 HydrophobicContact CB-CD1 4.19Å; R171-I198 HydrophobicContact CG-CD1 3.81Å; R171-I198 HydrophobicContact CG-CG1 3.98Å; R171-I198 HydrophobicContact CG-CG2 3.91Å
172T93.8Very high96.8Very high27 Ų2734 Ų3417%0.16616%0.157CC..Hα-helixtrans-53.9-48.7178.1-490000109.9D174 F175 L176 N206 H686 F702T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 2.8Å; T172-F175 PolarHBondContact O-N 2.95Å; T172-L176 HydrophobicContact CG2-CD1 4.17Å; T172-L176 HydrophobicContact CG2-CG 4.38Å; T172-L176 WeakPolarHBondContact O-CG 3.15Å; T172-L176 PolarHBondContact O-N 3.22Å; T172-N206 PolarHBondContact N-ND2 3.21Å; T172-H686 PolarHBondContact OG1-ND1 3Å; T172-F702 HydrophobicContact CG2-CE1 3.94Å; T172-F702 HydrophobicContact CG2-CZ 4.11Å
173E93.9Very high96.7Very high82 Ų8240.9 Ų40.938%0.38319%0.192SC..Hα-helixtrans-62.1-28.7177.863.6-90-149.900113.8R171 Q177R171-E173 HydrophobicContact CB-CG 4.11Å; R171-E173 WeakPolarHBondContact CB-OE2 3.36Å; R171-E173 WeakPolarHBondContact CD-OE1 3.48Å; R171-E173 IonicContact CZ-OE1 3.11Å; R171-E173 IonicContact NE-OE1 3.73Å; R171-E173 PolarHBondContact NE-OE1 2.74Å; R171-E173 IonicContact NH1-OE1 2.71Å; R171-E173 PolarHBondContact NH1-OE1 3.4Å; R171-E173 IonicContact NH2-OE1 3.58Å; R171-E173 PolarHBondContact O-N 3.28Å; E173-Q177 WeakPolarHBondContact O-CB 3.39Å; E173-Q177 PolarHBondContact O-N 3.41Å
174D97.5Very high96.7Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-71.5-39.2178.1-61.4-43.1000110.6V167 N168 Y169 G170 R171 T172 L178 W308V167-D174 HydrophobicContact CG1-CB 4.16Å; N168-D174 HydrophobicContact CB-CB 4.3Å; N168-D174 PolarHBondContact ND2-OD1 3.03Å; Y169-D174 PolarHBondContact N-OD2 2.93Å; G170-D174 PolarHBondContact N-OD2 3.18Å; R171-D174 WeakPolarHBondContact CB-OD2 3.24Å; R171-D174 WeakPolarHBondContact CG-OD2 3.34Å; R171-D174 IonicContact CZ-OD1 3.38Å; R171-D174 IonicContact CZ-OD2 3.37Å; R171-D174 PolarHBondContact N-OD2 3.31Å; R171-D174 IonicContact NE-OD1 3.58Å; R171-D174 PolarHBondContact NE-OD1 3.41Å; R171-D174 IonicContact NE-OD2 2.77Å; R171-D174 PolarHBondContact NE-OD2 2.89Å; R171-D174 IonicContact NH2-OD1 2.77Å; R171-D174 PolarHBondContact NH2-OD1 2.87Å; R171-D174 IonicContact NH2-OD2 3.18Å; R171-D174 WeakPolarHBondContact O-CB 3.24Å; R171-D174 PolarHBondContact O-N 3.45Å; T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 2.8Å; D174-L178 PolarHBondContact O-N 2.83Å; D174-W308 HydrophobicContact CB-CH2 4.13Å; D174-W308 HydrophobicContact CB-CZ2 3.89Å; D174-W308 WeakPolarHBondContact O-CH2 3.35Å
175F97.6Very high96.6Very high17 Ų1743.3 Ų43.38%0.07521%0.211CC..Hα-helixtrans-71.9-41.2174.6-74.7-79000112.1V167 R171 T172 Q177 L178 E179 V186 N206 A207 A210V167-F175 HydrophobicContact CB-CE1 4.42Å; V167-F175 HydrophobicContact CB-CZ 4.39Å; V167-F175 HydrophobicContact CG1-CD1 3.86Å; V167-F175 HydrophobicContact CG1-CD2 4.18Å; V167-F175 HydrophobicContact CG1-CE1 3.69Å; V167-F175 HydrophobicContact CG1-CE2 4.03Å; V167-F175 HydrophobicContact CG1-CG 4.1Å; V167-F175 HydrophobicContact CG1-CZ 3.76Å; V167-F175 HydrophobicContact CG2-CE1 4.24Å; R171-F175 WeakPolarHBondContact O-CD2 3.14Å; R171-F175 PolarHBondContact O-N 2.8Å; T172-F175 PolarHBondContact O-N 2.95Å; F175-Q177 VanDerWaalsContact C-N 3.29Å; F175-Q177 PolarHBondContact O-N 3.49Å; F175-L178 PolarHBondContact O-N 3.26Å; F175-E179 PolarHBondContact O-N 2.84Å; F175-V186 HydrophobicContact CD1-CG2 4.21Å; F175-V186 HydrophobicContact CE1-CG1 4.44Å; F175-V186 HydrophobicContact CE1-CG2 4.12Å; F175-N206 HydrophobicContact CD2-CB 3.63Å; F175-N206 HydrophobicContact CE2-CB 3.53Å; F175-A207 HydrophobicContact CE1-CB 4.37Å; F175-A207 HydrophobicContact CE2-CB 4.48Å; F175-A207 VanDerWaalsContact CZ-CA 3.42Å; F175-A207 HydrophobicContact CZ-CB 3.72Å; F175-A210 HydrophobicContact CD1-CB 3.52Å; F175-A210 HydrophobicContact CE1-CB 3.92Å; F175-A210 HydrophobicContact CG-CB 4.18Å
176L94.8Very high96.5Very high36 Ų3643.7 Ų43.719%0.18821%0.213CC..Hα-helixtrans-61.2-39.8175.1-66.4-177.4000111.5T172 E179 R180T172-L176 HydrophobicContact CG2-CD1 4.17Å; T172-L176 HydrophobicContact CG2-CG 4.38Å; T172-L176 WeakPolarHBondContact O-CG 3.15Å; T172-L176 PolarHBondContact O-N 3.22Å; L176-E179 PolarHBondContact O-N 2.85Å; L176-R180 VanDerWaalsContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CB 3.48Å; L176-R180 WeakPolarHBondContact O-CG 3.5Å; L176-R180 PolarHBondContact O-N 3Å
177Q95.9Very high96.5Very high35 Ų3547.7 Ų47.716%0.16424%0.238CC..Iπ-helixtrans-63.4-42.8175.5177.9155.146.800112E173 F175 E179 E181 M182 W308E173-Q177 WeakPolarHBondContact O-CB 3.39Å; E173-Q177 PolarHBondContact O-N 3.41Å; F175-Q177 VanDerWaalsContact C-N 3.29Å; F175-Q177 PolarHBondContact O-N 3.49Å; Q177-E179 PolarHBondContact O-N 3.07Å; Q177-E181 HydrophobicContact CG-CB 4.4Å; Q177-E181 WeakPolarHBondContact CG-OE2 3.37Å; Q177-E181 PolarHBondContact NE2-OE2 3.35Å; Q177-E181 WeakPolarHBondContact O-CB 3.3Å; Q177-E181 PolarHBondContact O-N 3.01Å; Q177-E181 VanDerWaalsContact O-N 3.07Å; Q177-M182 HydrophobicContact CG-CG 4.45Å; Q177-M182 HydrophobicContact CG-SD 4.34Å; Q177-M182 PolarHBondContact O-N 3.02Å; Q177-W308 HydrophobicContact CB-CZ2 4.27Å; Q177-W308 HydrophobicContact CG-CZ2 4.22Å
178L96.9Very high96.5Very high2 Ų249.2 Ų49.21%0.0125%0.253CS..Iπ-helixtrans-60-47.5174.9-73.8173.6000112.1V165 V167 D174 F175 M182 N183 I184 V186 W308 T318V165-L178 HydrophobicContact CG1-CD1 4.21Å; V167-L178 HydrophobicContact CB-CD1 4Å; V167-L178 HydrophobicContact CG1-CD1 3.47Å; V167-L178 VanDerWaalsContact CG1-CD1 3.47Å; V167-L178 HydrophobicContact CG2-CD1 3.68Å; D174-L178 PolarHBondContact O-N 2.83Å; F175-L178 PolarHBondContact O-N 3.26Å; L178-M182 HydrophobicContact CD2-SD 3.87Å; L178-M182 CarbonylContact O-C 3.49Å; L178-M182 PolarHBondContact O-N 3.09Å; L178-N183 PolarHBondContact O-N 3.04Å; L178-I184 HydrophobicContact CB-CB 4.36Å; L178-I184 HydrophobicContact CD2-CB 4.11Å; L178-I184 HydrophobicContact CD2-CD1 4Å; L178-I184 HydrophobicContact CD2-CG2 4.28Å; L178-I184 PolarHBondContact O-N 2.86Å; L178-V186 HydrophobicContact CD1-CG1 4.05Å; L178-W308 HydrophobicContact CD1-CH2 4.23Å; L178-W308 HydrophobicContact CD2-CH2 3.94Å; L178-W308 HydrophobicContact CD2-CZ3 4.04Å; L178-W308 HydrophobicContact CG-CH2 3.77Å; L178-W308 HydrophobicContact CG-CZ3 4.31Å; L178-T318 HydrophobicContact CD2-CG2 4.41Å
179E95.5Very high96.5Very high131 Ų13151.7 Ų51.761%0.61226%0.264SS*.Iπ-helixtrans-72.4-53.4-175.4-177.7175.8-14300112.1F175 L176 Q177F175-E179 PolarHBondContact O-N 2.84Å; L176-E179 PolarHBondContact O-N 2.85Å; Q177-E179 PolarHBondContact O-N 3.07Å
180R94.6Very high96.5Very high119 Ų11950.8 Ų50.845%0.44926%0.26SS..Iπ-helixtrans-84.9-32.9-168.8-57.9-179.6-178.5168.64.4113.2L176 D703 N706L176-R180 VanDerWaalsContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CB 3.48Å; L176-R180 WeakPolarHBondContact O-CG 3.5Å; L176-R180 PolarHBondContact O-N 3Å; R180-D703 IonicContact CZ-OD2 3.31Å; R180-D703 IonicContact NH1-OD1 3.75Å; R180-D703 PolarHBondContact NH1-OD1 3.31Å; R180-D703 VanDerWaalsContact NH1-OD1 3.16Å; R180-D703 IonicContact NH1-OD2 3.44Å; R180-D703 PolarHBondContact NH1-OD2 2.86Å; R180-D703 IonicContact NH2-OD1 3.44Å; R180-D703 IonicContact NH2-OD2 3.55Å; R180-D703 PolarHBondContact NH2-OD2 2.82Å; R180-N706 PolarHBondContact NH1-ND2 3.16Å
181E95.1Very high96.6Very high142 Ų14250.8 Ų50.866%0.66426%0.26SS*.Iπ-helixtrans-107.6-35.9-173.7-57.9177.1-167.500113Q177Q177-E181 HydrophobicContact CG-CB 4.4Å; Q177-E181 WeakPolarHBondContact CG-OE2 3.37Å; Q177-E181 PolarHBondContact NE2-OE2 3.35Å; Q177-E181 WeakPolarHBondContact O-CB 3.3Å; Q177-E181 PolarHBondContact O-N 3.01Å; Q177-E181 VanDerWaalsContact O-N 3.07Å
182M95.8Very high96.7Very high16 Ų1648.6 Ų48.68%0.07925%0.252CS..SBendtrans-101-9.9-175-55-176.966.500113.7Q177 L178 I184 Q302 T318Q177-M182 HydrophobicContact CG-CG 4.45Å; Q177-M182 HydrophobicContact CG-SD 4.34Å; Q177-M182 PolarHBondContact O-N 3.02Å; L178-M182 HydrophobicContact CD2-SD 3.87Å; L178-M182 CarbonylContact O-C 3.49Å; L178-M182 PolarHBondContact O-N 3.09Å; M182-I184 VanDerWaalsContact C-N 3.28Å; M182-I184 HydrophobicContact CB-CD1 4.05Å; M182-I184 HydrophobicContact CB-CG1 4.13Å; M182-I184 HydrophobicContact CE-CD1 4.07Å; M182-I184 PolarHBondContact O-N 2.83Å; M182-Q302 HydrophobicContact CE-CB 4.31Å; M182-T318 HydrophobicContact CE-CG2 3.63Å; M182-T318 HydrophobicContact SD-CG2 4.44Å
183N95.9Very high96.9Very high152 Ų15247.4 Ų47.481%0.81325%0.245SC*.  trans54.341.6-176.1-165.628.7000112.9L178L178-N183 PolarHBondContact O-N 3.04Å
184I97Very high97.1Very high14 Ų1443.6 Ų43.67%0.07223%0.227CC..  trans-110.7114.5178.6-63.4175.3000109.1V165 L178 M182 T318V165-I184 HydrophobicContact CG1-CG2 4.05Å; L178-I184 HydrophobicContact CB-CB 4.36Å; L178-I184 HydrophobicContact CD2-CB 4.11Å; L178-I184 HydrophobicContact CD2-CD1 4Å; L178-I184 HydrophobicContact CD2-CG2 4.28Å; L178-I184 PolarHBondContact O-N 2.86Å; M182-I184 VanDerWaalsContact C-N 3.28Å; M182-I184 HydrophobicContact CB-CD1 4.05Å; M182-I184 HydrophobicContact CB-CG1 4.13Å; M182-I184 HydrophobicContact CE-CD1 4.07Å; M182-I184 PolarHBondContact O-N 2.83Å; I184-T318 VanDerWaalsContact CD1-OG1 3.22Å; I184-T318 WeakPolarHBondContact CD1-OG1 3.35Å
185S96.6Very high97.2Very high72 Ų7243.7 Ų43.750%0.50323%0.227SC..  trans-88130171.1173.80000111.5T187S185-T187 VanDerWaalsContact C-N 3.33Å; S185-T187 WeakPolarHBondContact OG-CB 3.38Å; S185-T187 PolarHBondContact OG-N 2.91Å; S185-T187 VanDerWaalsContact OG-N 3.16Å; S185-T187 PolarHBondContact OG-OG1 2.7Å; S185-T187 VanDerWaalsContact OG-OG1 3.09Å
186V98.1Very high97Very high7 Ų743.3 Ų43.34%0.04223%0.228CC..  trans-901.6172.2-56.40000112.9V165 V167 F175 L178 G188 K189 V191 A210V165-V186 HydrophobicContact CB-CG1 4.36Å; V165-V186 HydrophobicContact CG1-CG1 4Å; V167-V186 HydrophobicContact CG2-CG1 4.36Å; F175-V186 HydrophobicContact CD1-CG2 4.21Å; F175-V186 HydrophobicContact CE1-CG1 4.44Å; F175-V186 HydrophobicContact CE1-CG2 4.12Å; L178-V186 HydrophobicContact CD1-CG1 4.05Å; V186-G188 PolarHBondContact O-N 2.67Å; V186-K189 VanDerWaalsContact O-CB 3.28Å; V186-K189 WeakPolarHBondContact O-CB 3.45Å; V186-K189 PolarHBondContact O-N 3.36Å; V186-V191 HydrophobicContact CB-CG1 3.9Å; V186-V191 HydrophobicContact CG1-CG1 3.93Å; V186-A210 HydrophobicContact CG2-CB 3.4Å; V186-A210 VanDerWaalsContact CG2-O 3.22Å; V186-A210 WeakPolarHBondContact CG2-O 3.44Å
187T98.4Very high96.8Very high85 Ų8546.6 Ų46.652%0.52124%0.241SC..THydrogen-bonded Turntrans-60.1123.8-178.5-51.80000111.1S185 K189 G211S185-T187 VanDerWaalsContact C-N 3.33Å; S185-T187 WeakPolarHBondContact OG-CB 3.38Å; S185-T187 PolarHBondContact OG-N 2.91Å; S185-T187 VanDerWaalsContact OG-N 3.16Å; S185-T187 PolarHBondContact OG-OG1 2.7Å; S185-T187 VanDerWaalsContact OG-OG1 3.09Å; T187-K189 PolarHBondContact O-N 2.97Å; T187-K189 PolarHBondContact O-NZ 2.89Å; T187-G211 CarbonylContact C-O 3.54Å; T187-G211 VanDerWaalsContact CA-O 3.3Å; T187-G211 WeakPolarHBondContact CA-O 3.19Å
188G97.9Very high96.6Very high32 Ų3245.5 Ų45.533%0.3324%0.236SC..THydrogen-bonded Turntrans69.114.7-177.700000114.7V186 G211 K213V186-G188 PolarHBondContact O-N 2.67Å; G188-G211 PolarHBondContact N-O 2.78Å; G188-K213 VanDerWaalsContact O-CD 3.27Å; G188-K213 WeakPolarHBondContact O-CD 3.43Å; G188-K213 WeakPolarHBondContact O-CE 3.39Å; G188-K213 PolarHBondContact O-NZ 3.41Å
189K98.7Very high96.4Very high52 Ų5246.2 Ų46.223%0.22624%0.239CC..  trans-104.7159179.4-51.7-55.8-175-71.90111.6D163 V165 V186 T187 K213D163-K189 HydrophobicContact CB-CD 4Å; V165-K189 HydrophobicContact CG2-CB 4.01Å; V165-K189 HydrophobicContact CG2-CG 4.13Å; V186-K189 VanDerWaalsContact O-CB 3.28Å; V186-K189 WeakPolarHBondContact O-CB 3.45Å; V186-K189 PolarHBondContact O-N 3.36Å; T187-K189 PolarHBondContact O-N 2.97Å; T187-K189 PolarHBondContact O-NZ 2.89Å; K189-K213 WeakPolarHBondContact O-CG 3.44Å; K189-K213 PolarHBondContact O-N 3.34Å
190I98.9Very high96.4Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-90.5130.1166.9-63.6168.8000106.5P160 D163 L164 V165 K213 G214 I216 V331 M333P160-I190 WeakPolarHBondContact O-CD1 3.48Å; D163-I190 PolarHBondContact O-N 2.75Å; L164-I190 CarbonylContact C-O 3.56Å; L164-I190 WeakPolarHBondContact CA-O 3.34Å; L164-I190 HydrophobicContact CD1-CB 4.29Å; L164-I190 HydrophobicContact CD1-CG2 3.89Å; V165-I190 PolarHBondContact N-O 2.84Å; I190-K213 HydrophobicContact CG1-CG 4.34Å; I190-G214 WeakPolarHBondContact CA-O 3.23Å; I190-I216 HydrophobicContact CG2-CD1 3.76Å; I190-I216 HydrophobicContact CG2-CG1 3.94Å; I190-V331 HydrophobicContact CD1-CB 4.11Å; I190-V331 HydrophobicContact CD1-CG1 4.02Å; I190-V331 WeakPolarHBondContact CD1-O 3.17Å; I190-V331 HydrophobicContact CG2-CG1 4.47Å; I190-M333 HydrophobicContact CD1-CG 4.16Å; I190-M333 HydrophobicContact CG2-CG 4.42Å; I190-M333 HydrophobicContact CG2-SD 4Å
191V98.9Very high96.5Very high0 Ų034.6 Ų34.60%019%0.19CC..EExtended strand (participates in β ladder)trans-101.6141.2176.9-61.80000110.2V165 V167 V186 A207 A212 G214 V215 I216V165-V191 HydrophobicContact CB-CG1 4.48Å; V165-V191 CarbonylContact O-C 3.55Å; V165-V191 VanDerWaalsContact O-CA 3.3Å; V165-V191 WeakPolarHBondContact O-CA 3.33Å; V167-V191 HydrophobicContact CG2-CB 3.76Å; V167-V191 HydrophobicContact CG2-CG1 3.72Å; V186-V191 HydrophobicContact CB-CG1 3.9Å; V186-V191 HydrophobicContact CG1-CG1 3.93Å; V191-A207 HydrophobicContact CG2-CB 3.91Å; V191-A212 HydrophobicContact CG1-CB 3.84Å; V191-A212 HydrophobicContact CG2-CB 4.05Å; V191-G214 PolarHBondContact N-O 3.4Å; V191-V215 HydrophobicContact CG2-CB 4.23Å; V191-V215 HydrophobicContact CG2-CG1 4.2Å; V191-V215 HydrophobicContact CG2-CG2 3.79Å; V191-V215 CarbonylContact O-C 3.58Å; V191-V215 WeakPolarHBondContact O-CA 3.3Å; V191-I216 PolarHBondContact O-N 2.95Å
192I98.9Very high96.5Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-111.3127.5168-176.5167.1000109.3L164 V165 Y166 V167 I216 F218 I287 L295 L296L164-I192 HydrophobicContact CD1-CB 3.97Å; L164-I192 HydrophobicContact CD1-CG2 3.95Å; L164-I192 HydrophobicContact CD2-CB 4.45Å; L164-I192 HydrophobicContact CD2-CG2 3.88Å; L164-I192 HydrophobicContact CG-CB 4.37Å; L164-I192 HydrophobicContact CG-CG2 3.8Å; V165-I192 PolarHBondContact O-N 3.19Å; Y166-I192 WeakPolarHBondContact CA-O 3.33Å; Y166-I192 HydrophobicContact CD2-CG2 4.25Å; Y166-I192 WeakPolarHBondContact CD2-O 3.4Å; V167-I192 PolarHBondContact N-O 3.26Å; I192-I216 CarbonylContact C-O 3.38Å; I192-I216 WeakPolarHBondContact CA-O 3.34Å; I192-I216 HydrophobicContact CB-CB 4.19Å; I192-I216 HydrophobicContact CD1-CG2 4.06Å; I192-I216 HydrophobicContact CG1-CB 4.14Å; I192-I216 HydrophobicContact CG1-CG2 4.06Å; I192-F218 HydrophobicContact CD1-CD1 3.93Å; I192-F218 HydrophobicContact CD1-CE1 4.23Å; I192-F218 HydrophobicContact CG1-CD1 3.72Å; I192-F218 HydrophobicContact CG1-CE1 3.95Å; I192-I287 HydrophobicContact CD1-CD1 4.49Å; I192-L295 HydrophobicContact CD1-CB 4.35Å; I192-L295 HydrophobicContact CD1-CD1 4.13Å; I192-L296 HydrophobicContact CD1-CD2 4.19Å; I192-L296 HydrophobicContact CD1-CG 4.21Å; I192-L296 HydrophobicContact CG2-CD2 3.85Å
193V98.8Very high96.6Very high1 Ų127.2 Ų27.21%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-129145.5-177.7-59.70000110.2V167 N168 K203 V215 I216 M217 F218V167-V193 HydrophobicContact CB-CG1 3.98Å; N168-V193 CarbonylContact O-C 3.47Å; N168-V193 WeakPolarHBondContact O-CA 3.33Å; V193-K203 HydrophobicContact CG2-CD 4.19Å; V193-V215 HydrophobicContact CG2-CG1 3.98Å; V193-I216 PolarHBondContact N-O 3.25Å; V193-M217 HydrophobicContact CG2-CE 4.49Å; V193-M217 HydrophobicContact CG2-CG 3.79Å; V193-M217 VanDerWaalsContact O-CA 3.31Å; V193-M217 WeakPolarHBondContact O-CA 3.4Å; V193-F218 VanDerWaalsContact O-CD1 3.29Å; V193-F218 WeakPolarHBondContact O-CD1 3.27Å; V193-F218 PolarHBondContact O-N 2.94Å
194R98Very high96.7Very high3 Ų320 Ų201%0.01112%0.117CC..EExtended strand (participates in β ladder)trans-83.8144.8169.147.1173.9176.6-171.90.3111.4Y166 N168 Y169 K203 F218 D220 D223 N307 W308 K309 G310Y166-R194 PolarHBondContact OH-NE 2.87Å; N168-R194 WeakPolarHBondContact O-CG 3.13Å; N168-R194 PolarHBondContact O-N 3.39Å; N168-R194 PolarHBondContact OD1-NE 3.49Å; N168-R194 PolarHBondContact OD1-NH2 3.25Å; Y169-R194 HydrophobicContact CD1-CG 3.74Å; Y169-R194 HydrophobicContact CE1-CG 3.87Å; Y169-R194 HydrophobicContact CG-CG 4.24Å; Y169-R194 VanDerWaalsContact CZ-NE 3.29Å; R194-K203 PolarHBondContact O-NZ 2.65Å; R194-F218 CarbonylContact C-O 3.47Å; R194-F218 VanDerWaalsContact CA-O 3.3Å; R194-F218 WeakPolarHBondContact CA-O 3.13Å; R194-F218 HydrophobicContact CB-CD1 4.37Å; R194-F218 HydrophobicContact CB-CE1 3.85Å; R194-F218 HydrophobicContact CB-CE2 4.45Å; R194-F218 HydrophobicContact CB-CZ 3.89Å; R194-D220 HydrophobicContact CB-CB 4.02Å; R194-D223 IonicContact NH1-OD2 2.76Å; R194-N307 PolarHBondContact NH2-O 2.71Å; R194-N307 VanDerWaalsContact NH2-O 3.1Å; R194-W308 VanDerWaalsContact NH2-C 3.34Å; R194-W308 PolarHBondContact NH2-O 3.35Å; R194-W308 VanDerWaalsContact NH2-O 3.13Å; R194-K309 PolarHBondContact NH1-O 3.34Å; R194-K309 VanDerWaalsContact NH1-O 3.16Å; R194-G310 VanDerWaalsContact NH1-CA 3.32Å
195Y98.3Very high96.8Very high2 Ų222.7 Ų22.71%0.00813%0.128CC..SBendtrans-62.2164.7167.9-80.5-63.4000111.7Y169 R200 M217 F218 Q244 P286Y169-Y195 WeakPolarHBondContact CD1-O 3.2Å; Y169-Y195 WeakPolarHBondContact CE1-O 3.38Å; Y195-R200 HydrophobicContact CD1-CB 4.34Å; Y195-R200 HydrophobicContact CE1-CB 3.79Å; Y195-M217 HydrophobicContact CD1-SD 4.22Å; Y195-M217 HydrophobicContact CD2-CB 4.23Å; Y195-M217 HydrophobicContact CE1-CB 4.09Å; Y195-M217 HydrophobicContact CE1-CG 4.42Å; Y195-M217 HydrophobicContact CE1-SD 3.45Å; Y195-M217 WeakPolarHBondContact CE1-SD 3.41Å; Y195-M217 HydrophobicContact CE2-CB 3.68Å; Y195-F218 PolarHBondContact N-O 2.91Å; Y195-Q244 HydrophobicContact CD2-CB 3.98Å; Y195-Q244 HydrophobicContact CD2-CG 4.48Å; Y195-Q244 HydrophobicContact CE2-CB 3.66Å; Y195-Q244 HydrophobicContact CE2-CG 4.23Å; Y195-Q244 PolarHBondContact OH-O 3.27Å; Y195-P286 HydrophobicContact CE2-CB 4.22Å
196G93.7Very high96.8Very high8 Ų820.1 Ų20.18%0.08211%0.108CC..  trans103.9171.3-178.900000114.5I198 K203 Y224G196-I198 PolarHBondContact O-N 3.42Å; G196-K203 PolarHBondContact O-NZ 3.06Å; G196-Y224 PolarHBondContact N-OH 3.47Å
197K90.6Very high96.8Very high106 Ų10619.8 Ų19.846%0.46111%0.106SC..SBendtrans63.4-56.3-177.8-49.3-57.8175.9-168.80116.4Y169 N687Y169-K197 HydrophobicContact CD1-CB 4.35Å; Y169-K197 HydrophobicContact CD1-CG 3.62Å; Y169-K197 HydrophobicContact CD2-CG 3.73Å; Y169-K197 HydrophobicContact CE1-CD 4.49Å; Y169-K197 HydrophobicContact CE1-CG 3.74Å; Y169-K197 HydrophobicContact CE2-CG 3.88Å; Y169-K197 HydrophobicContact CG-CB 4.27Å; Y169-K197 HydrophobicContact CG-CG 3.61Å; Y169-K197 VanDerWaalsContact CZ-CE 3.5Å; Y169-K197 WeakPolarHBondContact OH-CE 3.44Å; K197-N687 PolarHBondContact O-ND2 2.85Å; K197-N687 VanDerWaalsContact O-ND2 3.11Å
198I92.1Very high96.8Very high12 Ų1218.7 Ų18.76%0.06210%0.096CC..SBendtrans-125.4158.5-178.464.7167.2000111.3R171 G196 N202 K203 N687R171-I198 HydrophobicContact CB-CD1 4.19Å; R171-I198 HydrophobicContact CG-CD1 3.81Å; R171-I198 HydrophobicContact CG-CG1 3.98Å; R171-I198 HydrophobicContact CG-CG2 3.91Å; G196-I198 PolarHBondContact O-N 3.42Å; I198-N202 HydrophobicContact CD1-CB 3.96Å; I198-K203 HydrophobicContact CD1-CG 3.85Å; I198-K203 HydrophobicContact CG1-CG 3.83Å; I198-K203 WeakPolarHBondContact O-CE 3.44Å; I198-N687 WeakPolarHBondContact CA-OD1 3.36Å; I198-N687 HydrophobicContact CB-CB 4.33Å; I198-N687 HydrophobicContact CG2-CB 3.78Å
199F92.8Very high96.8Very high16 Ų1622 Ų227%0.0711%0.114CC..  trans-58.5139.4174170.7-116.1000112.2G201 N202 K203 L249 K688 Y689F199-G201 VanDerWaalsContact C-N 3.31Å; F199-G201 VanDerWaalsContact CE1-CA 3.48Å; F199-G201 PolarHBondContact O-N 3.46Å; F199-N202 WeakPolarHBondContact O-CB 3.44Å; F199-N202 PolarHBondContact O-N 2.98Å; F199-K203 PolarHBondContact O-N 3.46Å; F199-L249 VanDerWaalsContact CE1-O 3.26Å; F199-L249 WeakPolarHBondContact CE1-O 3.19Å; F199-K688 HydrophobicContact CB-CB 3.97Å; F199-K688 HydrophobicContact CD1-CB 4.22Å; F199-K688 HydrophobicContact CD1-CD 3.76Å; F199-K688 HydrophobicContact CD1-CG 4.33Å; F199-K688 HydrophobicContact CE1-CD 4.11Å; F199-K688 HydrophobicContact CG-CB 4.31Å; F199-Y689 HydrophobicContact CB-CD1 4.3Å; F199-Y689 HydrophobicContact CB-CD2 3.89Å; F199-Y689 HydrophobicContact CB-CE1 4.16Å; F199-Y689 HydrophobicContact CB-CE2 3.75Å; F199-Y689 HydrophobicContact CB-CG 4.18Å; F199-Y689 AromaticContact CD2-CE1 3.87Å; F199-Y689 HydrophobicContact CD2-CE1 3.87Å; F199-Y689 HydrophobicContact CD2-CE2 4.17Å; F199-Y689 AromaticContact CD2-CZ 3.55Å; F199-Y689 WeakPolarHBondContact CD2-OH 3.39Å; F199-Y689 HydrophobicContact CG-CE1 4.39Å; F199-Y689 HydrophobicContact CG-CE2 4.48Å
200R95.8Very high96.8Very high6 Ų621 Ų212%0.02312%0.115CC..Hα-helixtrans-60.1-35.5-174.366.1-174.573.282.2-5.5113.7Y195 N202 K203 V204 M217 N247 V248 Y541Y195-R200 HydrophobicContact CD1-CB 4.34Å; Y195-R200 HydrophobicContact CE1-CB 3.79Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 3.34Å; R200-K203 WeakPolarHBondContact O-CB 3.31Å; R200-K203 PolarHBondContact O-N 2.82Å; R200-K203 VanDerWaalsContact O-N 3.11Å; R200-V204 PolarHBondContact O-N 3.13Å; R200-M217 HydrophobicContact CB-CE 4.24Å; R200-M217 HydrophobicContact CB-SD 3.94Å; R200-N247 WeakPolarHBondContact CD-O 3.44Å; R200-N247 WeakPolarHBondContact CG-O 3.44Å; R200-V248 HydrophobicContact CG-CG1 4.07Å; R200-Y541 VanDerWaalsContact NH2-CE1 3.25Å; R200-Y541 PolarHBondContact NH2-OH 2.86Å
201G95.6Very high96.7Very high1 Ų122.3 Ų22.31%0.0113%0.129CC..Hα-helixtrans-62.8-32.1173.400000113.4F199 V204 K205F199-G201 VanDerWaalsContact C-N 3.31Å; F199-G201 VanDerWaalsContact CE1-CA 3.48Å; F199-G201 PolarHBondContact O-N 3.46Å; G201-V204 PolarHBondContact O-N 3.01Å; G201-K205 WeakPolarHBondContact O-CB 3.45Å; G201-K205 PolarHBondContact O-N 3.13Å
202N95.4Very high96.7Very high1 Ų122.5 Ų22.51%0.00513%0.131CC..Hα-helixtrans-67.6-37.1172.9-68.5100.6000111.5I198 F199 R200 V204 K205 N206 S685 K688I198-N202 HydrophobicContact CD1-CB 3.96Å; F199-N202 WeakPolarHBondContact O-CB 3.44Å; F199-N202 PolarHBondContact O-N 2.98Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 3.34Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.08Å; N202-K205 PolarHBondContact O-N 3Å; N202-N206 WeakPolarHBondContact O-CB 3.35Å; N202-N206 PolarHBondContact O-N 2.71Å; N202-N206 PolarHBondContact O-ND2 3.39Å; N202-N206 PolarHBondContact O-OD1 3.11Å; N202-S685 PolarHBondContact ND2-O 2.81Å; N202-K688 WeakPolarHBondContact OD1-CG 3.15Å; N202-K688 PolarHBondContact OD1-N 3.01Å
203K98.3Very high96.7Very high1 Ų125.8 Ų25.80%0.00415%0.145CC..Hα-helixtrans-59.2-44.3175-52.9175.8-175.1-87.90111.1Y169 V193 R194 G196 I198 F199 R200 N206 A207 M217Y169-K203 WeakPolarHBondContact O-CD 3.47Å; Y169-K203 WeakPolarHBondContact O-CG 3.44Å; Y169-K203 PolarHBondContact O-NZ 3.11Å; V193-K203 HydrophobicContact CG2-CD 4.19Å; R194-K203 PolarHBondContact O-NZ 2.65Å; G196-K203 PolarHBondContact O-NZ 3.06Å; I198-K203 HydrophobicContact CD1-CG 3.85Å; I198-K203 HydrophobicContact CG1-CG 3.83Å; I198-K203 WeakPolarHBondContact O-CE 3.44Å; F199-K203 PolarHBondContact O-N 3.46Å; R200-K203 WeakPolarHBondContact O-CB 3.31Å; R200-K203 PolarHBondContact O-N 2.82Å; R200-K203 VanDerWaalsContact O-N 3.11Å; K203-N206 PolarHBondContact O-N 3.11Å; K203-A207 WeakPolarHBondContact O-CB 3.5Å; K203-A207 PolarHBondContact O-N 2.88Å; K203-M217 HydrophobicContact CB-CE 4Å; K203-M217 HydrophobicContact CD-CE 4.32Å; K203-M217 HydrophobicContact CD-SD 4.5Å
204V98.4Very high96.7Very high2 Ų225.7 Ų25.71%0.01214%0.144CC..Hα-helixtrans-67.6-45.4178.1-175.40000111.2R200 G201 N202 N206 A207 M208 M217 V248 P280 I282 V284R200-V204 PolarHBondContact O-N 3.13Å; G201-V204 PolarHBondContact O-N 3.01Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.08Å; V204-N206 VanDerWaalsContact C-N 3.3Å; V204-N206 PolarHBondContact O-N 2.99Å; V204-A207 PolarHBondContact O-N 2.85Å; V204-M208 HydrophobicContact CG1-CG 4.34Å; V204-M208 HydrophobicContact CG1-SD 3.98Å; V204-M208 WeakPolarHBondContact O-CB 3.41Å; V204-M208 VanDerWaalsContact O-CG 3.32Å; V204-M208 WeakPolarHBondContact O-CG 3.32Å; V204-M208 PolarHBondContact O-N 2.71Å; V204-M217 HydrophobicContact CG2-CE 3.36Å; V204-V248 HydrophobicContact CG2-CB 3.95Å; V204-V248 HydrophobicContact CG2-CG1 3.93Å; V204-P280 HydrophobicContact CG1-CB 3.76Å; V204-I282 HydrophobicContact CG1-CG1 4.42Å; V204-V284 HydrophobicContact CB-CG2 4.42Å; V204-V284 HydrophobicContact CG1-CG2 3.7Å; V204-V284 HydrophobicContact CG2-CB 4.49Å; V204-V284 HydrophobicContact CG2-CG1 3.96Å; V204-V284 HydrophobicContact CG2-CG2 3.74Å
205K97.4Very high96.7Very high70 Ų7025.6 Ų25.630%0.30414%0.144SC..Hα-helixtrans-52.9-49.2174.1-178.4-160.3178.4-171.40111G201 N202 M208 S209G201-K205 WeakPolarHBondContact O-CB 3.45Å; G201-K205 PolarHBondContact O-N 3.13Å; N202-K205 PolarHBondContact O-N 3Å; K205-M208 PolarHBondContact O-N 3.31Å; K205-S209 PolarHBondContact O-N 3.39Å; K205-S209 PolarHBondContact O-OG 2.98Å
206N98.1Very high96.8Very high17 Ų1725.5 Ų25.59%0.09114%0.144CC..Hα-helixtrans-64.9-43.3-178.9-64.5-13.6000111.6G170 T172 F175 N202 K203 V204 M208 S209 A210G170-N206 PolarHBondContact O-ND2 2.85Å; T172-N206 PolarHBondContact N-ND2 3.21Å; F175-N206 HydrophobicContact CD2-CB 3.63Å; F175-N206 HydrophobicContact CE2-CB 3.53Å; N202-N206 WeakPolarHBondContact O-CB 3.35Å; N202-N206 PolarHBondContact O-N 2.71Å; N202-N206 PolarHBondContact O-ND2 3.39Å; N202-N206 PolarHBondContact O-OD1 3.11Å; K203-N206 PolarHBondContact O-N 3.11Å; V204-N206 VanDerWaalsContact C-N 3.3Å; V204-N206 PolarHBondContact O-N 2.99Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 3.37Å; N206-S209 PolarHBondContact O-N 2.98Å; N206-A210 WeakPolarHBondContact O-CB 3.29Å; N206-A210 PolarHBondContact O-N 2.71Å
207A98.6Very high97Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-60.9-42.517600000112.5F175 V191 K203 V204 A210 G211 A212 V215 I282F175-A207 HydrophobicContact CE1-CB 4.37Å; F175-A207 HydrophobicContact CE2-CB 4.48Å; F175-A207 VanDerWaalsContact CZ-CA 3.42Å; F175-A207 HydrophobicContact CZ-CB 3.72Å; V191-A207 HydrophobicContact CG2-CB 3.91Å; K203-A207 WeakPolarHBondContact O-CB 3.5Å; K203-A207 PolarHBondContact O-N 2.88Å; V204-A207 PolarHBondContact O-N 2.85Å; A207-A210 PolarHBondContact O-N 3.27Å; A207-G211 PolarHBondContact O-N 3.1Å; A207-A212 HydrophobicContact CB-CB 4.04Å; A207-A212 VanDerWaalsContact O-CB 3.25Å; A207-A212 WeakPolarHBondContact O-CB 3.27Å; A207-A212 PolarHBondContact O-N 3.4Å; A207-V215 HydrophobicContact CB-CG2 3.59Å; A207-I282 HydrophobicContact CB-CD1 4.35Å
208M98.3Very high97.4Very high63 Ų6320 Ų2031%0.3112%0.118SC..Hα-helixtrans-61.2-48.5174.8-73.7172.751.900111.3V204 K205 N206 A210 G211 P280 K281 I282V204-M208 HydrophobicContact CG1-CG 4.34Å; V204-M208 HydrophobicContact CG1-SD 3.98Å; V204-M208 WeakPolarHBondContact O-CB 3.41Å; V204-M208 VanDerWaalsContact O-CG 3.32Å; V204-M208 WeakPolarHBondContact O-CG 3.32Å; V204-M208 PolarHBondContact O-N 2.71Å; K205-M208 PolarHBondContact O-N 3.31Å; N206-M208 VanDerWaalsContact C-N 3.35Å; N206-M208 PolarHBondContact O-N 3.37Å; M208-A210 PolarHBondContact O-N 3.35Å; M208-G211 PolarHBondContact O-N 2.78Å; M208-P280 HydrophobicContact SD-CB 4.09Å; M208-K281 HydrophobicContact CE-CB 3.76Å; M208-K281 HydrophobicContact CE-CG 3.79Å; M208-K281 PolarHBondContact SD-N 3Å; M208-I282 HydrophobicContact CB-CD1 4.46Å; M208-I282 HydrophobicContact CG-CD1 3.52Å; M208-I282 HydrophobicContact CG-CG1 3.6Å; M208-I282 HydrophobicContact CG-CG2 4.3Å; M208-I282 HydrophobicContact SD-CG1 4.37Å
209S97.2Very high97.7Very high101 Ų10119.5 Ų19.571%0.70612%0.115SC*.Hα-helixtrans-60.7-32.3178.2-64.10000112.9K205 N206 G211K205-S209 PolarHBondContact O-N 3.39Å; K205-S209 PolarHBondContact O-OG 2.98Å; N206-S209 PolarHBondContact O-N 2.98Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3.42Å
210A98Very high98Very high30 Ų3018.8 Ų18.825%0.24811%0.112CC..THydrogen-bonded Turntrans-81.7-2.3176.400000113.8F175 V186 N206 A207 M208F175-A210 HydrophobicContact CD1-CB 3.52Å; F175-A210 HydrophobicContact CE1-CB 3.92Å; F175-A210 HydrophobicContact CG-CB 4.18Å; V186-A210 HydrophobicContact CG2-CB 3.4Å; V186-A210 VanDerWaalsContact CG2-O 3.22Å; V186-A210 WeakPolarHBondContact CG2-O 3.44Å; N206-A210 WeakPolarHBondContact O-CB 3.29Å; N206-A210 PolarHBondContact O-N 2.71Å; A207-A210 PolarHBondContact O-N 3.27Å; M208-A210 PolarHBondContact O-N 3.35Å
211G98.3Very high98.1Very high28 Ų2819.4 Ų19.429%0.28912%0.117SC..THydrogen-bonded Turntrans84.716.4176.800000115.2T187 G188 A207 M208 S209T187-G211 CarbonylContact C-O 3.54Å; T187-G211 VanDerWaalsContact CA-O 3.3Å; T187-G211 WeakPolarHBondContact CA-O 3.19Å; G188-G211 PolarHBondContact N-O 2.78Å; A207-G211 PolarHBondContact O-N 3.1Å; M208-G211 PolarHBondContact O-N 2.78Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3.42Å
212A98.7Very high98.1Very high5 Ų521.3 Ų21.34%0.04113%0.132CC..  trans-60.9149.9170.700000110.4V191 A207 I282V191-A212 HydrophobicContact CG1-CB 3.84Å; V191-A212 HydrophobicContact CG2-CB 4.05Å; A207-A212 HydrophobicContact CB-CB 4.04Å; A207-A212 VanDerWaalsContact O-CB 3.25Å; A207-A212 WeakPolarHBondContact O-CB 3.27Å; A207-A212 PolarHBondContact O-N 3.4Å; A212-I282 HydrophobicContact CB-CD1 4.28Å
213K98.1Very high98.1Very high68 Ų6821.4 Ų21.430%0.29613%0.133SC..SBendtrans-105.9-1.5178.170.7177.3179.1-154.40114.5P160 E161 G188 K189 I190P160-K213 HydrophobicContact CB-CD 4.14Å; P160-K213 HydrophobicContact CB-CG 4.06Å; E161-K213 WeakPolarHBondContact O-CE 3.45Å; E161-K213 PolarHBondContact O-NZ 3.05Å; G188-K213 VanDerWaalsContact O-CD 3.27Å; G188-K213 WeakPolarHBondContact O-CD 3.43Å; G188-K213 WeakPolarHBondContact O-CE 3.39Å; G188-K213 PolarHBondContact O-NZ 3.41Å; K189-K213 WeakPolarHBondContact O-CG 3.44Å; K189-K213 PolarHBondContact O-N 3.34Å; I190-K213 HydrophobicContact CG1-CG 4.34Å
214G98.8Very high98Very high0 Ų021.8 Ų21.80%013%0.134CC..EExtended strand (participates in β ladder)trans-173.5153.1176.500000111.3I190 V191 P283I190-G214 WeakPolarHBondContact CA-O 3.23Å; V191-G214 PolarHBondContact N-O 3.4Å; G214-P283 CarbonylContact C-O 3.59Å; G214-P283 WeakPolarHBondContact CA-O 3.16Å
215V98.9Very high97.9Very high0 Ų025.8 Ų25.80%015%0.149CC..EExtended strand (participates in β ladder)trans-129124.7-176.2-176.50000110.7V191 V193 A207 M217 I282 P283 V284 H285 M333V191-V215 HydrophobicContact CG2-CB 4.23Å; V191-V215 HydrophobicContact CG2-CG1 4.2Å; V191-V215 HydrophobicContact CG2-CG2 3.79Å; V191-V215 CarbonylContact O-C 3.58Å; V191-V215 WeakPolarHBondContact O-CA 3.3Å; V193-V215 HydrophobicContact CG2-CG1 3.98Å; A207-V215 HydrophobicContact CB-CG2 3.59Å; V215-M217 HydrophobicContact CG1-CE 3.9Å; V215-M217 HydrophobicContact CG1-CG 4.08Å; V215-I282 HydrophobicContact CG2-CD1 3.68Å; V215-I282 HydrophobicContact CG2-CG1 4.33Å; V215-P283 PolarHBondContact N-O 2.78Å; V215-V284 HydrophobicContact CB-CG1 4.09Å; V215-V284 HydrophobicContact CB-CG2 4.24Å; V215-V284 HydrophobicContact CG1-CG1 4.31Å; V215-V284 VanDerWaalsContact O-CA 3.27Å; V215-V284 WeakPolarHBondContact O-CA 3.32Å; V215-H285 PolarHBondContact O-N 3.14Å; V215-M333 VanDerWaalsContact O-CE 3.26Å; V215-M333 WeakPolarHBondContact O-CE 3.34Å
216I98.9Very high97.8Very high0 Ų022.7 Ų22.70%014%0.137CC..EExtended strand (participates in β ladder)trans-104.4127.9171.3-58.2173.4000107.7I118 L164 I190 V191 I192 V193 H285 I287 L295 V331 M333I118-I216 HydrophobicContact CD1-CB 4.18Å; I118-I216 HydrophobicContact CD1-CD1 3.74Å; I118-I216 HydrophobicContact CD1-CG1 3.59Å; I118-I216 HydrophobicContact CD1-CG2 3.65Å; I118-I216 HydrophobicContact CG1-CD1 4.17Å; I118-I216 HydrophobicContact CG1-CG1 4.27Å; I118-I216 HydrophobicContact CG2-CD1 3.86Å; L164-I216 HydrophobicContact CD1-CD1 4.07Å; I190-I216 HydrophobicContact CG2-CD1 3.76Å; I190-I216 HydrophobicContact CG2-CG1 3.94Å; V191-I216 PolarHBondContact O-N 2.95Å; I192-I216 CarbonylContact C-O 3.38Å; I192-I216 WeakPolarHBondContact CA-O 3.34Å; I192-I216 HydrophobicContact CB-CB 4.19Å; I192-I216 HydrophobicContact CD1-CG2 4.06Å; I192-I216 HydrophobicContact CG1-CB 4.14Å; I192-I216 HydrophobicContact CG1-CG2 4.06Å; V193-I216 PolarHBondContact N-O 3.25Å; I216-H285 WeakPolarHBondContact CA-O 3.35Å; I216-I287 HydrophobicContact CG2-CD1 3.6Å; I216-I287 HydrophobicContact CG2-CG1 3.93Å; I216-I287 HydrophobicContact CG2-CG2 4.41Å; I216-L295 HydrophobicContact CD1-CD1 4.03Å; I216-L295 HydrophobicContact CG2-CD1 4.26Å; I216-V331 HydrophobicContact CD1-CG1 3.8Å; I216-M333 HydrophobicContact CG1-CE 4.25Å; I216-M333 HydrophobicContact CG1-CG 4.49Å; I216-M333 HydrophobicContact CG1-SD 4.27Å
217M98.8Very high97.6Very high0 Ų028.7 Ų28.70%017%0.174CC..EExtended strand (participates in β ladder)trans-112.3138.6177-60.1-167.6179.100110.8V193 Y195 R200 K203 V204 V215 V248 V284 H285 P286 I287V193-M217 HydrophobicContact CG2-CE 4.49Å; V193-M217 HydrophobicContact CG2-CG 3.79Å; V193-M217 VanDerWaalsContact O-CA 3.31Å; V193-M217 WeakPolarHBondContact O-CA 3.4Å; Y195-M217 HydrophobicContact CD1-SD 4.22Å; Y195-M217 HydrophobicContact CD2-CB 4.23Å; Y195-M217 HydrophobicContact CE1-CB 4.09Å; Y195-M217 HydrophobicContact CE1-CG 4.42Å; Y195-M217 HydrophobicContact CE1-SD 3.45Å; Y195-M217 WeakPolarHBondContact CE1-SD 3.41Å; Y195-M217 HydrophobicContact CE2-CB 3.68Å; R200-M217 HydrophobicContact CB-CE 4.24Å; R200-M217 HydrophobicContact CB-SD 3.94Å; K203-M217 HydrophobicContact CB-CE 4Å; K203-M217 HydrophobicContact CD-CE 4.32Å; K203-M217 HydrophobicContact CD-SD 4.5Å; V204-M217 HydrophobicContact CG2-CE 3.36Å; V215-M217 HydrophobicContact CG1-CE 3.9Å; V215-M217 HydrophobicContact CG1-CG 4.08Å; M217-V248 HydrophobicContact CE-CG1 4.36Å; M217-V284 HydrophobicContact CE-CG1 3.85Å; M217-V284 HydrophobicContact CG-CG1 4.38Å; M217-V284 HydrophobicContact SD-CG1 4.38Å; M217-H285 PolarHBondContact N-O 2.86Å; M217-P286 CarbonylContact O-C 3.53Å; M217-P286 VanDerWaalsContact O-CA 3.25Å; M217-P286 WeakPolarHBondContact O-CA 3.47Å; M217-I287 PolarHBondContact O-N 3.34Å
218F98.8Very high97.4Very high0 Ų032.7 Ų32.70%022%0.215CC..EExtended strand (participates in β ladder)trans-140.7155175.677.9-76.8000112.7Y166 I192 V193 R194 Y195 D220 I287 A292 L296 L312Y166-F218 HydrophobicContact CE2-CE1 4.27Å; Y166-F218 HydrophobicContact CE2-CZ 4.44Å; I192-F218 HydrophobicContact CD1-CD1 3.93Å; I192-F218 HydrophobicContact CD1-CE1 4.23Å; I192-F218 HydrophobicContact CG1-CD1 3.72Å; I192-F218 HydrophobicContact CG1-CE1 3.95Å; V193-F218 VanDerWaalsContact O-CD1 3.29Å; V193-F218 WeakPolarHBondContact O-CD1 3.27Å; V193-F218 PolarHBondContact O-N 2.94Å; R194-F218 CarbonylContact C-O 3.47Å; R194-F218 VanDerWaalsContact CA-O 3.3Å; R194-F218 WeakPolarHBondContact CA-O 3.13Å; R194-F218 HydrophobicContact CB-CD1 4.37Å; R194-F218 HydrophobicContact CB-CE1 3.85Å; R194-F218 HydrophobicContact CB-CE2 4.45Å; R194-F218 HydrophobicContact CB-CZ 3.89Å; Y195-F218 PolarHBondContact N-O 2.91Å; F218-D220 HydrophobicContact CD2-CB 4.29Å; F218-D220 HydrophobicContact CE2-CB 3.6Å; F218-D220 WeakPolarHBondContact CE2-OD2 3.39Å; F218-D220 HydrophobicContact CZ-CB 4.15Å; F218-D220 PolarHBondContact O-N 2.97Å; F218-I287 WeakPolarHBondContact CA-O 3.38Å; F218-I287 HydrophobicContact CB-CD1 4.37Å; F218-I287 HydrophobicContact CB-CG1 3.7Å; F218-A292 HydrophobicContact CB-CB 3.71Å; F218-A292 HydrophobicContact CD1-CB 4.24Å; F218-A292 HydrophobicContact CD2-CB 3.4Å; F218-A292 VanDerWaalsContact CD2-CB 3.4Å; F218-A292 HydrophobicContact CE2-CB 4.04Å; F218-A292 HydrophobicContact CG-CB 3.52Å; F218-L296 HydrophobicContact CE1-CD1 4.19Å; F218-L296 HydrophobicContact CE2-CD1 4.27Å; F218-L296 HydrophobicContact CZ-CD1 3.79Å; F218-L312 HydrophobicContact CD2-CD1 4.43Å; F218-L312 HydrophobicContact CE2-CD1 3.78Å
219S98.3Very high97.3Very high1 Ų131.1 Ų31.11%0.00721%0.21CC..  trans-92.290.3178.2-60.80000110.3L238 F289S219-L238 VanDerWaalsContact CB-CD2 3.45Å; S219-F289 WeakPolarHBondContact O-CB 3.19Å; S219-F289 WeakPolarHBondContact O-CD1 3.43Å
220D98.4Very high97.4Very high0 Ų032.5 Ų32.50%020%0.203CC..  trans-63.6135.6178.7-162.6-67.7000111.1R194 F218 A222 D223 Y224 G310 A311 Y316R194-D220 HydrophobicContact CB-CB 4.02Å; F218-D220 HydrophobicContact CD2-CB 4.29Å; F218-D220 HydrophobicContact CE2-CB 3.6Å; F218-D220 WeakPolarHBondContact CE2-OD2 3.39Å; F218-D220 HydrophobicContact CZ-CB 4.15Å; F218-D220 PolarHBondContact O-N 2.97Å; D220-A222 PolarHBondContact O-N 3.21Å; D220-A222 VanDerWaalsContact O-N 3.1Å; D220-A222 VanDerWaalsContact OD1-CB 3.3Å; D220-A222 WeakPolarHBondContact OD1-CB 3.48Å; D220-A222 PolarHBondContact OD1-N 3.18Å; D220-D223 PolarHBondContact O-N 3.39Å; D220-Y224 PolarHBondContact O-N 3.48Å; D220-G310 WeakPolarHBondContact OD1-CA 3.41Å; D220-A311 PolarHBondContact OD1-N 3.49Å; D220-Y316 PolarHBondContact OD1-OH 3.05Å; D220-Y316 WeakPolarHBondContact OD2-CE1 3.43Å; D220-Y316 PolarHBondContact OD2-OH 3.4Å
221P97.7Very high97.4Very high19 Ų1933.4 Ų33.412%0.12321%0.206CC..Hα-helixtrans-58.6-22.7176.4-24.934.5000113.7D223 W225 F289 A311 L312P221-D223 PolarHBondContact O-N 2.96Å; P221-D223 VanDerWaalsContact O-N 3.14Å; P221-W225 HydrophobicContact CB-CB 3.94Å; P221-W225 HydrophobicContact CB-CG 4.47Å; P221-W225 WeakPolarHBondContact O-CB 3.19Å; P221-W225 PolarHBondContact O-N 2.91Å; P221-W225 VanDerWaalsContact O-N 3.17Å; P221-F289 HydrophobicContact CG-CB 4.39Å; P221-F289 HydrophobicContact CG-CD1 4.04Å; P221-F289 HydrophobicContact CG-CD2 3.91Å; P221-F289 HydrophobicContact CG-CE1 4.21Å; P221-F289 HydrophobicContact CG-CE2 4.11Å; P221-F289 HydrophobicContact CG-CG 3.87Å; P221-F289 HydrophobicContact CG-CZ 4.24Å; P221-A311 HydrophobicContact CB-CB 4.11Å; P221-L312 HydrophobicContact CG-CD2 3.82Å
222A96.3Very high97.3Very high41 Ų4132.9 Ų32.934%0.33920%0.195SC..Hα-helixtrans-59.2-26172.200000113D220 A311D220-A222 PolarHBondContact O-N 3.21Å; D220-A222 VanDerWaalsContact O-N 3.1Å; D220-A222 VanDerWaalsContact OD1-CB 3.3Å; D220-A222 WeakPolarHBondContact OD1-CB 3.48Å; D220-A222 PolarHBondContact OD1-N 3.18Å; A222-A311 HydrophobicContact CB-CB 3.96Å
223D96Very high97.3Very high3 Ų334.9 Ų34.92%0.01621%0.208CC..Hα-helixtrans-115-14.7-174.4-66.6-77.2000113.5Y169 R194 D220 P221 Y535 S536Y169-D223 WeakPolarHBondContact CE1-OD2 3.43Å; Y169-D223 VanDerWaalsContact OH-CG 3.3Å; Y169-D223 PolarHBondContact OH-OD1 3.36Å; Y169-D223 PolarHBondContact OH-OD2 2.93Å; R194-D223 IonicContact NH1-OD2 2.76Å; D220-D223 PolarHBondContact O-N 3.39Å; P221-D223 PolarHBondContact O-N 2.96Å; P221-D223 VanDerWaalsContact O-N 3.14Å; D223-Y535 CarbonylContact O-C 3.58Å; D223-Y535 WeakPolarHBondContact O-CA 3.36Å; D223-Y535 WeakPolarHBondContact O-CB 3.49Å; D223-S536 PolarHBondContact O-N 3.19Å
224Y95.9Very high97.3Very high9 Ų936.8 Ų36.84%0.03522%0.221CC..Hα-helixtrans-135.731.1-176.2-66.2-88.4000112.2G196 D220 Q244 P539G196-Y224 PolarHBondContact N-OH 3.47Å; D220-Y224 PolarHBondContact O-N 3.48Å; Y224-Q244 PolarHBondContact OH-NE2 3.04Å; Y224-P539 WeakPolarHBondContact O-CB 3.3Å
225W95.5Very high97.2Very high86 Ų8636.9 Ų36.933%0.32622%0.223SC..  trans-135.7124174.9-165.1-85.7000111.2P221 P231 N237 L238 F289P221-W225 HydrophobicContact CB-CB 3.94Å; P221-W225 HydrophobicContact CB-CG 4.47Å; P221-W225 WeakPolarHBondContact O-CB 3.19Å; P221-W225 PolarHBondContact O-N 2.91Å; P221-W225 VanDerWaalsContact O-N 3.17Å; W225-P231 HydrophobicContact CH2-CB 4.01Å; W225-P231 HydrophobicContact CH2-CG 4Å; W225-P231 HydrophobicContact CZ3-CB 4.14Å; W225-N237 WeakPolarHBondContact CA-OD1 3.32Å; W225-N237 HydrophobicContact CD2-CB 4Å; W225-N237 HydrophobicContact CE3-CB 3.78Å; W225-N237 HydrophobicContact CH2-CB 4.29Å; W225-N237 HydrophobicContact CZ2-CB 4.45Å; W225-N237 HydrophobicContact CZ3-CB 3.94Å; W225-N237 PolarHBondContact NE1-ND2 3.45Å; W225-L238 WeakPolarHBondContact CZ3-O 3.36Å; W225-F289 HydrophobicContact CE3-CZ 4.4Å; W225-F289 HydrophobicContact CZ3-CZ 4.1Å
226A95.9Very high97.2Very high6 Ų638.1 Ų38.15%0.0523%0.228CC..  trans-84.9129.9169.200000110.8G228 V229 W236 N237 Y535A226-G228 PolarHBondContact O-N 3.26Å; A226-V229 HydrophobicContact CB-CB 4.2Å; A226-V229 HydrophobicContact CB-CG2 4.03Å; A226-V229 PolarHBondContact O-N 3.49Å; A226-W236 HydrophobicContact CB-CE3 4.38Å; A226-W236 HydrophobicContact CB-CH2 3.13Å; A226-W236 HydrophobicContact CB-CZ2 3.81Å; A226-W236 HydrophobicContact CB-CZ3 3.47Å; A226-W236 VanDerWaalsContact CB-CZ3 3.47Å; A226-N237 PolarHBondContact N-ND2 2.91Å; A226-N237 PolarHBondContact N-OD1 3.49Å; A226-N237 PolarHBondContact O-ND2 3.45Å; A226-Y535 HydrophobicContact CB-CD1 4.09Å; A226-Y535 HydrophobicContact CB-CE1 3.79Å
227T93.5Very high97.1Very high142 Ų14238.1 Ų38.187%0.87123%0.228SC*.THydrogen-bonded Turntrans-60.4134.5179-540000111.2V229T227-V229 VanDerWaalsContact C-N 3.26Å; T227-V229 PolarHBondContact O-N 2.9Å
228G94.5Very high97.1Very high84 Ų8438.2 Ų38.287%0.86623%0.228SC*.THydrogen-bonded Turntrans78.53.417700000115.3A226A226-G228 PolarHBondContact O-N 3.26Å
229V97.1Very high97Very high31 Ų3139 Ų3919%0.18823%0.233CC..  trans-107.7137.9-179178.30000110.2A226 T227 W236 N237A226-V229 HydrophobicContact CB-CB 4.2Å; A226-V229 HydrophobicContact CB-CG2 4.03Å; A226-V229 PolarHBondContact O-N 3.49Å; T227-V229 VanDerWaalsContact C-N 3.26Å; T227-V229 PolarHBondContact O-N 2.9Å; V229-W236 HydrophobicContact CB-CZ2 4.43Å; V229-W236 HydrophobicContact CG1-CD2 3.8Å; V229-W236 HydrophobicContact CG1-CG 3.84Å; V229-W236 HydrophobicContact CG1-CZ2 4.28Å; V229-W236 HydrophobicContact CG2-CH2 4.44Å; V229-W236 HydrophobicContact CG2-CZ2 3.64Å; V229-N237 PolarHBondContact O-ND2 2.93Å
230K98.3Very high97Very high130 Ų13039.2 Ų39.257%0.56524%0.236SC*.PPolyproline II helixtrans-76.3153.6176.1-70.9-176.8178.8-176.90111.5D234 G235 W236 N237K230-D234 HydrophobicContact CB-CB 4.1Å; K230-D234 HydrophobicContact CD-CB 3.75Å; K230-G235 CarbonylContact O-C 3.27Å; K230-G235 VanDerWaalsContact O-C 3.27Å; K230-G235 WeakPolarHBondContact O-CA 3.4Å; K230-W236 PolarHBondContact O-N 3.39Å; K230-N237 WeakPolarHBondContact O-CB 3.37Å; K230-N237 PolarHBondContact O-N 3.03Å; K230-N237 VanDerWaalsContact O-N 3.16Å
231P97.9Very high96.9Very high49 Ų4940 Ų4032%0.31824%0.244SC..BIsolated β-bridgetrans-65.7156.316929.5-32.5000110.9W225 D234 G235 N237 P239W225-P231 HydrophobicContact CH2-CB 4.01Å; W225-P231 HydrophobicContact CH2-CG 4Å; W225-P231 HydrophobicContact CZ3-CB 4.14Å; P231-D234 PolarHBondContact O-N 2.85Å; P231-G235 PolarHBondContact O-N 3.27Å; P231-G235 VanDerWaalsContact O-N 3.14Å; P231-N237 CarbonylContact C-O 3.59Å; P231-N237 VanDerWaalsContact CA-O 3.3Å; P231-N237 WeakPolarHBondContact CA-O 3.38Å; P231-P239 HydrophobicContact CB-CB 4.48Å; P231-P239 HydrophobicContact CB-CG 4.34Å
232Y97.9Very high96.9Very high16 Ų1639.1 Ų39.16%0.06324%0.238CC..THydrogen-bonded Turntrans-55138171.7-168-85000111P138 G235 N237 P239 Y545 T547 I550P138-Y232 HydrophobicContact CB-CE1 3.99Å; Y232-G235 WeakPolarHBondContact CA-O 3.1Å; Y232-G235 PolarHBondContact N-O 3.31Å; Y232-N237 PolarHBondContact N-O 3.38Å; Y232-P239 WeakPolarHBondContact O-CG 3.23Å; Y232-Y545 AromaticContact CD1-CD1 3.47Å; Y232-Y545 HydrophobicContact CD1-CD1 3.47Å; Y232-Y545 VanDerWaalsContact CD1-CD1 3.47Å; Y232-Y545 HydrophobicContact CD1-CE1 4.22Å; Y232-Y545 HydrophobicContact CD1-CG 4.26Å; Y232-Y545 HydrophobicContact CE1-CD1 4.11Å; Y232-Y545 HydrophobicContact CG-CD1 4.05Å; Y232-Y545 HydrophobicContact CG-CG 4.43Å; Y232-T547 PolarHBondContact OH-OG1 2.82Å; Y232-I550 HydrophobicContact CD2-CB 4.49Å; Y232-I550 HydrophobicContact CD2-CD1 4.22Å; Y232-I550 HydrophobicContact CD2-CG1 4.11Å; Y232-I550 HydrophobicContact CE2-CB 4.12Å; Y232-I550 HydrophobicContact CE2-CG1 4.21Å
233P97.1Very high97Very high47 Ų4737.3 Ų37.331%0.30522%0.223SC..THydrogen-bonded Turncis-93.4-1.312.637.1-37.4000116.4R553P233-R553 PolarHBondContact O-NH1 3.4Å; P233-R553 PolarHBondContact O-NH2 3.45Å
234D97.7Very high97.1Very high108 Ų10837.3 Ų37.358%0.57822%0.223SC*.THydrogen-bonded Turntrans-88.4-10.3-176.9-70.9-25.3000113.4K230 P231K230-D234 HydrophobicContact CB-CB 4.1Å; K230-D234 HydrophobicContact CD-CB 3.75Å; P231-D234 PolarHBondContact O-N 2.85Å
235G97.9Very high97.2Very high3 Ų337 Ų373%0.03122%0.221CC..SBendtrans-154.7-161.3169.700000110.3K230 P231 Y232 F554K230-G235 CarbonylContact O-C 3.27Å; K230-G235 VanDerWaalsContact O-C 3.27Å; K230-G235 WeakPolarHBondContact O-CA 3.4Å; P231-G235 PolarHBondContact O-N 3.27Å; P231-G235 VanDerWaalsContact O-N 3.14Å; Y232-G235 WeakPolarHBondContact CA-O 3.1Å; Y232-G235 PolarHBondContact N-O 3.31Å; G235-F554 WeakPolarHBondContact O-CE2 3.33Å
236W97.7Very high97.4Very high26 Ų2632.9 Ų32.910%0.09821%0.206CC..SBendtrans-11412.1-173.852.4-92.3000113.3A226 V229 K230 M448 Y535 P539 I550 F554 Y555A226-W236 HydrophobicContact CB-CE3 4.38Å; A226-W236 HydrophobicContact CB-CH2 3.13Å; A226-W236 HydrophobicContact CB-CZ2 3.81Å; A226-W236 HydrophobicContact CB-CZ3 3.47Å; A226-W236 VanDerWaalsContact CB-CZ3 3.47Å; V229-W236 HydrophobicContact CB-CZ2 4.43Å; V229-W236 HydrophobicContact CG1-CD2 3.8Å; V229-W236 HydrophobicContact CG1-CG 3.84Å; V229-W236 HydrophobicContact CG1-CZ2 4.28Å; V229-W236 HydrophobicContact CG2-CH2 4.44Å; V229-W236 HydrophobicContact CG2-CZ2 3.64Å; K230-W236 PolarHBondContact O-N 3.39Å; W236-M448 HydrophobicContact CH2-CE 4.34Å; W236-M448 HydrophobicContact CZ2-CE 3.7Å; W236-Y535 HydrophobicContact CH2-CE1 4.04Å; W236-Y535 AromaticContact CH2-CZ 3.92Å; W236-Y535 HydrophobicContact CZ3-CE1 4.21Å; W236-Y535 HydrophobicContact CZ3-CE2 4.43Å; W236-Y535 AromaticContact CZ3-CZ 3.89Å; W236-P539 HydrophobicContact CE3-CG 3.68Å; W236-P539 HydrophobicContact CZ3-CG 3.58Å; W236-P539 WeakPolarHBondContact O-CB 3.38Å; W236-I550 HydrophobicContact CB-CD1 4.08Å; W236-I550 HydrophobicContact CB-CG1 4.17Å; W236-F554 HydrophobicContact CB-CB 4.09Å; W236-F554 HydrophobicContact CB-CD2 4.15Å; W236-F554 HydrophobicContact CB-CG 4.16Å; W236-F554 AromaticContact CD1-CG 3.99Å; W236-F554 HydrophobicContact CG-CB 4.22Å; W236-F554 HydrophobicContact CG-CG 4.49Å; W236-Y555 HydrophobicContact CB-CE2 4.08Å
237N98.3Very high97.5Very high0 Ų033.2 Ų33.20%021%0.207CC..BIsolated β-bridgetrans-76.8154170.7-86.6-25.9000112.4W225 A226 V229 K230 P231 Y232 P239W225-N237 WeakPolarHBondContact CA-OD1 3.32Å; W225-N237 HydrophobicContact CD2-CB 4Å; W225-N237 HydrophobicContact CE3-CB 3.78Å; W225-N237 HydrophobicContact CH2-CB 4.29Å; W225-N237 HydrophobicContact CZ2-CB 4.45Å; W225-N237 HydrophobicContact CZ3-CB 3.94Å; W225-N237 PolarHBondContact NE1-ND2 3.45Å; A226-N237 PolarHBondContact N-ND2 2.91Å; A226-N237 PolarHBondContact N-OD1 3.49Å; A226-N237 PolarHBondContact O-ND2 3.45Å; V229-N237 PolarHBondContact O-ND2 2.93Å; K230-N237 WeakPolarHBondContact O-CB 3.37Å; K230-N237 PolarHBondContact O-N 3.03Å; K230-N237 VanDerWaalsContact O-N 3.16Å; P231-N237 CarbonylContact C-O 3.59Å; P231-N237 VanDerWaalsContact CA-O 3.3Å; P231-N237 WeakPolarHBondContact CA-O 3.38Å; Y232-N237 PolarHBondContact N-O 3.38Å; N237-P239 VanDerWaalsContact O-CD 3.29Å; N237-P239 WeakPolarHBondContact O-CD 3.39Å
238L97.9Very high97.7Very high2 Ų226.5 Ų26.51%0.0117%0.166CC..PPolyproline II helixtrans-64.5122.8175.6-173.663.8000110.3S219 W225 F289 P539 Y545S219-L238 VanDerWaalsContact CB-CD2 3.45Å; W225-L238 WeakPolarHBondContact CZ3-O 3.36Å; L238-F289 HydrophobicContact CD2-CD1 4.45Å; L238-F289 HydrophobicContact CG-CE1 4.45Å; L238-F289 WeakPolarHBondContact O-CE1 3.47Å; L238-P539 HydrophobicContact CB-CB 4.37Å; L238-P539 WeakPolarHBondContact CB-O 3.49Å; L238-Y545 HydrophobicContact CD1-CD2 4.43Å
239P97.8Very high97.9Very high15 Ų1522.6 Ų22.610%0.09713%0.125CC..PPolyproline II helixtrans-64.6152.6169.4-23.337.4000111.4P231 Y232 N237 G241 G242 Y545P231-P239 HydrophobicContact CB-CB 4.48Å; P231-P239 HydrophobicContact CB-CG 4.34Å; Y232-P239 WeakPolarHBondContact O-CG 3.23Å; N237-P239 VanDerWaalsContact O-CD 3.29Å; N237-P239 WeakPolarHBondContact O-CD 3.39Å; P239-G241 VanDerWaalsContact C-N 3.28Å; P239-G241 PolarHBondContact O-N 3.26Å; P239-G242 WeakPolarHBondContact O-CA 3.45Å; P239-G242 PolarHBondContact O-N 3.08Å; P239-Y545 HydrophobicContact CB-CE1 4.47Å; P239-Y545 HydrophobicContact CB-CE2 3.97Å; P239-Y545 HydrophobicContact CG-CD1 4.06Å; P239-Y545 HydrophobicContact CG-CD2 3.9Å; P239-Y545 HydrophobicContact CG-CE1 3.81Å; P239-Y545 HydrophobicContact CG-CE2 3.64Å; P239-Y545 HydrophobicContact CG-CG 4.09Å
240G97Very high97.8Very high7 Ų722.5 Ų22.57%0.07212%0.124CC..THydrogen-bonded Turntrans-68.5-19.3-172.900000117.3G242 G288 F289 H290G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G288 CarbonylContact O-C 3.53Å; G240-F289 VanDerWaalsContact CA-CE1 3.43Å; G240-F289 PolarHBondContact O-N 3.3Å; G240-F289 VanDerWaalsContact O-N 3.13Å; G240-H290 WeakPolarHBondContact O-CB 3.36Å; G240-H290 PolarHBondContact O-N 3.49Å
241G96.6Very high97.6Very high16 Ų1617 Ų1717%0.16510%0.1CC..THydrogen-bonded Turntrans-83.2-7.3167.500000113.9E135 P239E135-G241 WeakPolarHBondContact CG-O 3.46Å; P239-G241 VanDerWaalsContact C-N 3.28Å; P239-G241 PolarHBondContact O-N 3.26Å
242G97.7Very high97.4Very high0 Ų016.2 Ų16.20%09%0.093CC..  trans-72.6132.5-178.100000112.7E135 P239 G240 G288E135-G242 VanDerWaalsContact OE1-CA 3.27Å; E135-G242 WeakPolarHBondContact OE1-CA 3.28Å; P239-G242 WeakPolarHBondContact O-CA 3.45Å; P239-G242 PolarHBondContact O-N 3.08Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G242-G288 VanDerWaalsContact O-CA 3.24Å; G242-G288 WeakPolarHBondContact O-CA 3.12Å
243A98.3Very high97.2Very high3 Ų315.7 Ų15.73%0.0259%0.093CC..  trans-131.2131.5-175.600000110.9E135 P150 R245E135-A243 HydrophobicContact CG-CB 4.48Å; E135-A243 PolarHBondContact OE1-N 3.43Å; P150-A243 HydrophobicContact CB-CB 3.68Å; P150-A243 HydrophobicContact CG-CB 3.75Å; A243-R245 PolarHBondContact O-N 3.41Å; A243-R245 PolarHBondContact O-NH1 3.48Å
244Q98.5Very high97Very high4 Ų413.4 Ų13.42%0.0198%0.078CC..  trans-80.1114.6-177.5-176.5-171.8137.200110.5Y195 Y224 P286 Y541 H542Y195-Q244 HydrophobicContact CD2-CB 3.98Å; Y195-Q244 HydrophobicContact CD2-CG 4.48Å; Y195-Q244 HydrophobicContact CE2-CB 3.66Å; Y195-Q244 HydrophobicContact CE2-CG 4.23Å; Y195-Q244 PolarHBondContact OH-O 3.27Å; Y224-Q244 PolarHBondContact OH-NE2 3.04Å; Q244-P286 WeakPolarHBondContact O-CB 3.25Å; Q244-Y541 HydrophobicContact CG-CD1 3.97Å; Q244-Y541 HydrophobicContact CG-CE1 4.38Å; Q244-Y541 WeakPolarHBondContact CG-O 3.33Å; Q244-H542 HydrophobicContact CG-CB 3.87Å
245R98.8Very high97Very high1 Ų18.3 Ų8.30%0.0045%0.051CC..  trans-71.8169.1168.5-71162.5-168.973.1-2.7111.1E135 V148 A243 W370 H542E135-R245 IonicContact OE2-CZ 3.6Å; E135-R245 IonicContact OE2-NH1 3.76Å; E135-R245 PolarHBondContact OE2-NH1 2.98Å; E135-R245 IonicContact OE2-NH2 3.43Å; E135-R245 PolarHBondContact OE2-NH2 3.21Å; V148-R245 VanDerWaalsContact O-CZ 3.28Å; V148-R245 PolarHBondContact O-NE 2.91Å; V148-R245 PolarHBondContact O-NH2 3.39Å; A243-R245 PolarHBondContact O-N 3.41Å; A243-R245 PolarHBondContact O-NH1 3.48Å; R245-W370 HydrophobicContact CB-CB 4.14Å; R245-W370 HydrophobicContact CB-CD2 3.4Å; R245-W370 HydrophobicContact CB-CE3 3.64Å; R245-W370 HydrophobicContact CB-CG 3.59Å; R245-W370 HydrophobicContact CB-CZ3 4.36Å; R245-W370 HydrophobicContact CG-CD2 4.31Å; R245-W370 HydrophobicContact CG-CE3 4.15Å; R245-W370 HydrophobicContact CG-CG 4.48Å; R245-H542 HydrophobicContact CB-CB 4.27Å; R245-H542 PolarHBondContact N-O 2.99Å; R245-H542 PolarHBondContact NH1-O 3.18Å; R245-H542 VanDerWaalsContact O-CB 3.31Å; R245-H542 WeakPolarHBondContact O-CB 3.31Å; R245-H542 PolarHBondContact O-ND1 3.22Å
246G98.4Very high97.1Very high0 Ų08.2 Ų8.20%05%0.05CC..EExtended strand (participates in β ladder)trans160.4151.2175.200000112.6S152 A153 W370S152-G246 WeakPolarHBondContact CA-O 3.41Å; A153-G246 PolarHBondContact N-O 3.22Å; A153-G246 VanDerWaalsContact N-O 3.12Å; G246-W370 VanDerWaalsContact C-CZ2 3.45Å
247N98.5Very high97.1Very high13 Ų137 Ų77%0.075%0.045CC..EExtended strand (participates in β ladder)trans-71.9147.9169.379.880.6000111.1A153 Y154 R200 L249 E414A153-N247 HydrophobicContact CB-CB 4.22Å; Y154-N247 HydrophobicContact CD2-CB 4.01Å; Y154-N247 HydrophobicContact CE2-CB 3.95Å; R200-N247 WeakPolarHBondContact CD-O 3.44Å; R200-N247 WeakPolarHBondContact CG-O 3.44Å; N247-L249 PolarHBondContact OD1-N 2.99Å; N247-E414 WeakPolarHBondContact CB-O 3.26Å; N247-E414 PolarHBondContact ND2-O 3.18Å
248V98.2Very high97.1Very high2 Ų27.1 Ų7.11%0.0125%0.046CC..  trans-116.124.5176.8-70.10000112.3A153 R200 V204 M217 P280 V284A153-V248 WeakPolarHBondContact O-CG2 3.47Å; A153-V248 PolarHBondContact O-N 2.79Å; R200-V248 HydrophobicContact CG-CG1 4.07Å; V204-V248 HydrophobicContact CG2-CB 3.95Å; V204-V248 HydrophobicContact CG2-CG1 3.93Å; M217-V248 HydrophobicContact CE-CG1 4.36Å; V248-P280 HydrophobicContact CG2-CG 3.87Å; V248-V284 HydrophobicContact CG1-CG1 4.12Å; V248-V284 HydrophobicContact CG2-CB 4.46Å; V248-V284 HydrophobicContact CG2-CG2 4.4Å
249L97.3Very high97.1Very high2 Ų27.1 Ų7.11%0.015%0.046CC..  trans-67.5153.5176.4-73174.3000111.8Y154 F199 N247 L251 P257 L279 F415Y154-L249 HydrophobicContact CD1-CD1 4.43Å; Y154-L249 HydrophobicContact CD1-CD2 4.06Å; Y154-L249 HydrophobicContact CD1-CG 4.37Å; Y154-L249 HydrophobicContact CD2-CD1 3.64Å; Y154-L249 HydrophobicContact CD2-CD2 3.87Å; Y154-L249 HydrophobicContact CD2-CG 3.37Å; Y154-L249 HydrophobicContact CE1-CD1 4.17Å; Y154-L249 HydrophobicContact CE2-CD1 3.31Å; Y154-L249 HydrophobicContact CE2-CD2 4.35Å; Y154-L249 HydrophobicContact CE2-CG 3.64Å; Y154-L249 HydrophobicContact CG-CD1 4.16Å; Y154-L249 HydrophobicContact CG-CD2 3.67Å; Y154-L249 HydrophobicContact CG-CG 3.74Å; F199-L249 VanDerWaalsContact CE1-O 3.26Å; F199-L249 WeakPolarHBondContact CE1-O 3.19Å; N247-L249 PolarHBondContact OD1-N 2.99Å; L249-L251 HydrophobicContact CB-CD2 4.48Å; L249-L251 HydrophobicContact CB-CG 3.98Å; L249-L251 HydrophobicContact CD1-CD1 3.94Å; L249-L251 HydrophobicContact CD1-CD2 4.03Å; L249-L251 HydrophobicContact CD1-CG 3.96Å; L249-P257 HydrophobicContact CD1-CG 3.88Å; L249-P257 HydrophobicContact CD2-CG 4.17Å; L249-L279 HydrophobicContact CD2-CD2 3.73Å; L249-L279 HydrophobicContact CD2-CG 4.38Å; L249-F415 WeakPolarHBondContact CD1-O 3.29Å
250N95.8Very high97.1Very high29 Ų298.1 Ų8.116%0.1555%0.052CC..  trans-117.362.9168.2-169.131.2000112.7N252 G278 K688N250-N252 PolarHBondContact OD1-OD1 3.41Å; N250-G278 PolarHBondContact N-O 2.78Å; N250-K688 WeakPolarHBondContact OD1-CE 3.33Å; N250-K688 PolarHBondContact OD1-NZ 3.39Å
251L95Very high97.1Very high14 Ų149 Ų97%0.0736%0.062CC..  trans-66.4-37-172.3-67.9174.1000116.2L249 G253 A254 G255 P257 G416 L418L249-L251 HydrophobicContact CB-CD2 4.48Å; L249-L251 HydrophobicContact CB-CG 3.98Å; L249-L251 HydrophobicContact CD1-CD1 3.94Å; L249-L251 HydrophobicContact CD1-CD2 4.03Å; L249-L251 HydrophobicContact CD1-CG 3.96Å; L251-G253 VanDerWaalsContact C-N 3.32Å; L251-G253 PolarHBondContact O-N 3.29Å; L251-A254 HydrophobicContact CB-CB 4.36Å; L251-A254 HydrophobicContact CD2-CB 4.42Å; L251-A254 VanDerWaalsContact O-CB 3.27Å; L251-A254 WeakPolarHBondContact O-CB 3.1Å; L251-A254 PolarHBondContact O-N 2.86Å; L251-G255 VanDerWaalsContact CD1-O 3.31Å; L251-G255 WeakPolarHBondContact CD1-O 3.3Å; L251-G255 VanDerWaalsContact CD2-O 3.26Å; L251-G255 WeakPolarHBondContact CD2-O 3.46Å; L251-P257 HydrophobicContact CD2-CG 4.06Å; L251-G416 WeakPolarHBondContact CD1-O 3.45Å; L251-L418 HydrophobicContact CD1-CD2 4.05Å
252N93.4Very high97.2Very high32 Ų3216.1 Ų16.117%0.1719%0.085CC..THydrogen-bonded Turntrans52.745.8-172.2-55.7-38.6000113N250 R673 Y676 K688N250-N252 PolarHBondContact OD1-OD1 3.41Å; N252-R673 HydrophobicContact CB-CB 4.31Å; N252-R673 HydrophobicContact CB-CG 3.96Å; N252-Y676 VanDerWaalsContact C-CZ 3.44Å; N252-Y676 HydrophobicContact CB-CD2 4.49Å; N252-Y676 HydrophobicContact CB-CE2 4.09Å; N252-K688 WeakPolarHBondContact OD1-CE 3.4Å
253G92.6Very high97.2Very high5 Ų517 Ų175%0.0529%0.09CC..THydrogen-bonded Turntrans82.99.5177.500000116L251 G255 E511 R516 F675 Y676L251-G253 VanDerWaalsContact C-N 3.32Å; L251-G253 PolarHBondContact O-N 3.29Å; G253-G255 PolarHBondContact O-N 3.1Å; G253-E511 WeakPolarHBondContact CA-OE2 3.38Å; G253-R516 PolarHBondContact O-NH1 3.38Å; G253-F675 VanDerWaalsContact C-CB 3.5Å; G253-F675 VanDerWaalsContact O-CB 3.23Å; G253-F675 WeakPolarHBondContact O-CB 3.48Å; G253-Y676 VanDerWaalsContact N-CE1 3.33Å
254A94.6Very high97.3Very high0 Ų016.9 Ų16.90%09%0.089CC..  trans-70.1-25.3-173.400000115.5L251 P260 V277 F675L251-A254 HydrophobicContact CB-CB 4.36Å; L251-A254 HydrophobicContact CD2-CB 4.42Å; L251-A254 VanDerWaalsContact O-CB 3.27Å; L251-A254 WeakPolarHBondContact O-CB 3.1Å; L251-A254 PolarHBondContact O-N 2.86Å; A254-P260 HydrophobicContact CB-CB 4.2Å; A254-V277 HydrophobicContact CB-CG1 4.01Å; A254-F675 VanDerWaalsContact CA-CD2 3.42Å; A254-F675 HydrophobicContact CB-CD2 3.71Å; A254-F675 HydrophobicContact CB-CE2 3.7Å
255G97.2Very high97.2Very high1 Ų118.4 Ų18.41%0.0110%0.096CC..  trans82.9-144.3-168.500000111.6L251 G253 L418L251-G255 VanDerWaalsContact CD1-O 3.31Å; L251-G255 WeakPolarHBondContact CD1-O 3.3Å; L251-G255 VanDerWaalsContact CD2-O 3.26Å; L251-G255 WeakPolarHBondContact CD2-O 3.46Å; G253-G255 PolarHBondContact O-N 3.1Å; G255-L418 WeakPolarHBondContact O-CD2 3.5Å
256D98.5Very high97.2Very high0 Ų025.3 Ų25.30%013%0.128CC..SBendtrans-52.1130.7176176.356.1000111.3I105 L106 L258 T259 E422I105-D256 HydrophobicContact CB-CB 4.36Å; I105-D256 HydrophobicContact CG2-CB 4.03Å; L106-D256 PolarHBondContact N-OD1 2.94Å; D256-L258 PolarHBondContact O-N 2.82Å; D256-L258 WeakPolarHBondContact OD2-CA 3.2Å; D256-L258 VanDerWaalsContact OD2-CB 3.32Å; D256-L258 WeakPolarHBondContact OD2-CB 2.92Å; D256-L258 PolarHBondContact OD2-N 2.83Å; D256-L258 VanDerWaalsContact OD2-N 3.09Å; D256-T259 PolarHBondContact O-N 3.42Å; D256-T259 PolarHBondContact OD2-N 2.9Å; D256-T259 PolarHBondContact OD2-OG1 2.91Å; D256-E422 VanDerWaalsContact CB-OE1 3.27Å; D256-E422 WeakPolarHBondContact CB-OE1 3.45Å; D256-E422 PolarHBondContact N-OE1 3.37Å
257P98.4Very high97.1Very high0 Ų034.3 Ų34.30%016%0.163CC..THydrogen-bonded Turntrans-53.2-22.6177.9-29.233.6000115L106 L249 L251 G276 V277L106-P257 HydrophobicContact CD2-CB 4.04Å; L106-P257 HydrophobicContact CD2-CG 4.26Å; L249-P257 HydrophobicContact CD1-CG 3.88Å; L249-P257 HydrophobicContact CD2-CG 4.17Å; L251-P257 HydrophobicContact CD2-CG 4.06Å; P257-G276 CarbonylContact O-C 3.57Å; P257-G276 VanDerWaalsContact O-CA 3.28Å; P257-G276 WeakPolarHBondContact O-CA 3.35Å; P257-V277 PolarHBondContact O-N 3.35Å
258L98.5Very high97.1Very high3 Ų334.5 Ų34.52%0.01617%0.165CC..THydrogen-bonded Turntrans-103.1-16-173.9-51-175.8000114.4L106 D256 R270 L271 P273 V341L106-L258 HydrophobicContact CB-CD1 3.92Å; L106-L258 HydrophobicContact CB-CG 3.95Å; L106-L258 HydrophobicContact CD1-CD1 4.06Å; L106-L258 HydrophobicContact CD2-CD1 4.32Å; L106-L258 HydrophobicContact CD2-CD2 4.04Å; L106-L258 HydrophobicContact CD2-CG 4.09Å; L106-L258 HydrophobicContact CG-CD1 4.33Å; L106-L258 HydrophobicContact CG-CG 4.47Å; D256-L258 PolarHBondContact O-N 2.82Å; D256-L258 WeakPolarHBondContact OD2-CA 3.2Å; D256-L258 VanDerWaalsContact OD2-CB 3.32Å; D256-L258 WeakPolarHBondContact OD2-CB 2.92Å; D256-L258 PolarHBondContact OD2-N 2.83Å; D256-L258 VanDerWaalsContact OD2-N 3.09Å; L258-R270 HydrophobicContact CB-CB 4Å; L258-R270 HydrophobicContact CB-CG 4.11Å; L258-R270 HydrophobicContact CD1-CB 4.39Å; L258-L271 HydrophobicContact CD2-CB 4.27Å; L258-L271 PolarHBondContact O-N 3.31Å; L258-P273 HydrophobicContact CD1-CG 4.46Å; L258-V341 HydrophobicContact CD1-CG2 4.12Å
259T98.4Very high97.1Very high3 Ų342.7 Ų42.72%0.01820%0.197CC..SBendtrans-125.944.7-178.364.60000113.7D256 G261 Y262 A264 T268 R270 E422D256-T259 PolarHBondContact O-N 3.42Å; D256-T259 PolarHBondContact OD2-N 2.9Å; D256-T259 PolarHBondContact OD2-OG1 2.91Å; T259-G261 PolarHBondContact O-N 3.42Å; T259-Y262 WeakPolarHBondContact CB-O 3.23Å; T259-Y262 PolarHBondContact O-N 3.43Å; T259-Y262 PolarHBondContact OG1-O 3.43Å; T259-Y262 VanDerWaalsContact OG1-O 3.11Å; T259-A264 HydrophobicContact CG2-CB 4.12Å; T259-T268 HydrophobicContact CG2-CG2 3.72Å; T259-R270 HydrophobicContact CG2-CG 3.86Å; T259-E422 PolarHBondContact OG1-OE2 2.96Å
260P98Very high97.1Very high35 Ų3545.2 Ų45.223%0.22721%0.206CC..THydrogen-bonded Turntrans-58.7115.9-175.128.8-38000111.7A254 L271 V277 F675A254-P260 HydrophobicContact CB-CB 4.2Å; P260-L271 HydrophobicContact CG-CD1 3.99Å; P260-V277 HydrophobicContact CB-CG2 4.08Å; P260-V277 HydrophobicContact CG-CG2 3.82Å; P260-F675 HydrophobicContact CB-CE2 3.94Å; P260-F675 HydrophobicContact CB-CZ 3.8Å
261G96.9Very high97.2Very high26 Ų2646.2 Ų46.227%0.26821%0.212SC..THydrogen-bonded Turntrans102-13.2179.200000115.6T259 E425T259-G261 PolarHBondContact O-N 3.42Å; G261-E425 WeakPolarHBondContact CA-OE1 3.27Å; G261-E425 PolarHBondContact N-OE1 3.22Å
262Y98.4Very high97.1Very high166 Ų16649.8 Ų49.865%0.65123%0.231SC*.SBendtrans-140.6138.3-172.9-57.4-81.9000111.4T259 A264 E425T259-Y262 WeakPolarHBondContact CB-O 3.23Å; T259-Y262 PolarHBondContact O-N 3.43Å; T259-Y262 PolarHBondContact OG1-O 3.43Å; T259-Y262 VanDerWaalsContact OG1-O 3.11Å; Y262-A264 PolarHBondContact O-N 3.27Å; Y262-E425 WeakPolarHBondContact CA-OE2 3.46Å; Y262-E425 PolarHBondContact N-OE2 2.94Å; Y262-E425 VanDerWaalsContact O-OE2 3.06Å
263P98.5Very high96.8Very high18 Ų1851.6 Ų51.612%0.11724%0.244CC..  trans-62136.6-17728.3-37.5000112Y103 K265 T268 E422 D426Y103-P263 HydrophobicContact CE1-CB 3.95Å; P263-K265 HydrophobicContact CB-CG 4.22Å; P263-K265 HydrophobicContact CG-CG 4.23Å; P263-K265 PolarHBondContact O-N 3.41Å; P263-T268 WeakPolarHBondContact O-CB 3.37Å; P263-T268 WeakPolarHBondContact O-CG2 3.49Å; P263-T268 PolarHBondContact O-OG1 2.83Å; P263-E422 WeakPolarHBondContact CA-OE2 3.31Å; P263-D426 HydrophobicContact CB-CB 3.74Å; P263-D426 HydrophobicContact CG-CB 4.14Å
264A98.4Very high96.4Very high0 Ų059.1 Ų59.10%028%0.278CS..  trans-72.157.2-18000000113.6D104 I105 T259 Y262 R270 E422D104-A264 PolarHBondContact N-O 3.06Å; I105-A264 HydrophobicContact CG2-CB 3.8Å; T259-A264 HydrophobicContact CG2-CB 4.12Å; Y262-A264 PolarHBondContact O-N 3.27Å; A264-R270 PolarHBondContact O-NH2 2.98Å; A264-E422 HydrophobicContact CB-CG 4.38Å; A264-E422 WeakPolarHBondContact CB-OE2 3.36Å; A264-E422 PolarHBondContact N-OE2 3.46Å
265K98.4Very high96Very high37 Ų3765.1 Ų65.116%0.16131%0.306CS..  trans-73.7171.1173-55.7-58.4-173-173.90111.4Y103 P263 Y267 T268 R270 D426Y103-K265 HydrophobicContact CD1-CD 4.23Å; Y103-K265 HydrophobicContact CE1-CD 4.03Å; Y103-K265 PolarHBondContact OH-NZ 3.03Å; P263-K265 HydrophobicContact CB-CG 4.22Å; P263-K265 HydrophobicContact CG-CG 4.23Å; P263-K265 PolarHBondContact O-N 3.41Å; K265-Y267 VanDerWaalsContact C-N 3.29Å; K265-Y267 HydrophobicContact CB-CD1 4.02Å; K265-Y267 HydrophobicContact CB-CE1 3.71Å; K265-Y267 HydrophobicContact CG-CE1 4.1Å; K265-Y267 PolarHBondContact O-N 3.18Å; K265-T268 WeakPolarHBondContact CB-OG1 3.42Å; K265-T268 PolarHBondContact N-OG1 2.92Å; K265-T268 VanDerWaalsContact N-OG1 3.11Å; K265-T268 WeakPolarHBondContact O-CB 3.33Å; K265-T268 PolarHBondContact O-N 2.89Å; K265-T268 PolarHBondContact O-OG1 3.34Å; K265-R270 PolarHBondContact O-NH1 3.01Å; K265-R270 PolarHBondContact O-NH2 3.13Å; K265-D426 WeakPolarHBondContact CE-OD1 3.4Å; K265-D426 WeakPolarHBondContact CE-OD2 3.01Å; K265-D426 IonicContact NZ-OD1 3.13Å; K265-D426 IonicContact NZ-OD2 2.72Å; K265-D426 PolarHBondContact NZ-OD2 2.8Å
266E97.2Very high95.9Very high146 Ų14665.3 Ų65.368%0.68231%0.309SS*.THydrogen-bonded Turntrans-62.2-37.2-178.4-61.2-174.7163.300112.3R343E266-R343 IonicContact OE1-CZ 3.46Å; E266-R343 IonicContact OE1-NH1 3.9Å; E266-R343 IonicContact OE1-NH2 2.8Å; E266-R343 PolarHBondContact OE1-NH2 3.38Å
267Y97.2Very high95.8Very high188 Ų18867.5 Ų67.574%0.73732%0.321SS*.THydrogen-bonded Turntrans-84.9-7.4179.365.4-99.7000113.8K265 Y269K265-Y267 VanDerWaalsContact C-N 3.29Å; K265-Y267 HydrophobicContact CB-CD1 4.02Å; K265-Y267 HydrophobicContact CB-CE1 3.71Å; K265-Y267 HydrophobicContact CG-CE1 4.1Å; K265-Y267 PolarHBondContact O-N 3.18Å; Y267-Y269 PolarHBondContact O-N 3.44Å
268T98.4Very high95.6Very high18 Ų1868.7 Ų68.711%0.1133%0.334CS..  trans-70.2132-172.1-56.60000110.6T259 P263 K265 R270T259-T268 HydrophobicContact CG2-CG2 3.72Å; P263-T268 WeakPolarHBondContact O-CB 3.37Å; P263-T268 WeakPolarHBondContact O-CG2 3.49Å; P263-T268 PolarHBondContact O-OG1 2.83Å; K265-T268 WeakPolarHBondContact CB-OG1 3.42Å; K265-T268 PolarHBondContact N-OG1 2.92Å; K265-T268 VanDerWaalsContact N-OG1 3.11Å; K265-T268 WeakPolarHBondContact O-CB 3.33Å; K265-T268 PolarHBondContact O-N 2.89Å; K265-T268 PolarHBondContact O-OG1 3.34Å; T268-R270 PolarHBondContact O-NH1 2.81Å
269Y97.6Very high95.6Very high173 Ų17369.4 Ų69.468%0.67834%0.338SS*.  trans-61.3135.3170.1171.4-94.7000110.2Y267 L271Y267-Y269 PolarHBondContact O-N 3.44Å; Y269-L271 HydrophobicContact CE1-CD2 4.17Å
270R97.9Very high95.5Very high55 Ų5569.7 Ų69.721%0.20834%0.34CS..  trans-114.2136.9177.8-74.4172.5179.471.88.9109.5D104 L258 T259 A264 K265 T268D104-R270 PolarHBondContact O-NE 3.42Å; D104-R270 PolarHBondContact O-NH2 3.44Å; L258-R270 HydrophobicContact CB-CB 4Å; L258-R270 HydrophobicContact CB-CG 4.11Å; L258-R270 HydrophobicContact CD1-CB 4.39Å; T259-R270 HydrophobicContact CG2-CG 3.86Å; A264-R270 PolarHBondContact O-NH2 2.98Å; K265-R270 PolarHBondContact O-NH1 3.01Å; K265-R270 PolarHBondContact O-NH2 3.13Å; T268-R270 PolarHBondContact O-NH1 2.81Å
271L96.9Very high95.5Very high50 Ų5074.2 Ų74.226%0.26236%0.356SS..  trans-56.7158.5164.9-62.3174.3000110.2L258 P260 Y269 V277L258-L271 HydrophobicContact CD2-CB 4.27Å; L258-L271 PolarHBondContact O-N 3.31Å; P260-L271 HydrophobicContact CG-CD1 3.99Å; Y269-L271 HydrophobicContact CE1-CD2 4.17Å; L271-V277 HydrophobicContact CD1-CG2 4.16Å
272N93.2Very high95.5Very high89 Ų8973.9 Ų73.948%0.47635%0.348SS..  trans-58.2134.3171.7-67.1-46.2000109.3E274 E275 G276N272-E274 PolarHBondContact O-N 2.92Å; N272-E275 HydrophobicContact CB-CB 4.21Å; N272-E275 HydrophobicContact CB-CG 4.09Å; N272-E275 PolarHBondContact ND2-OE2 3.41Å; N272-E275 CarbonylContact O-C 3.48Å; N272-E275 WeakPolarHBondContact O-CA 3.46Å; N272-E275 PolarHBondContact O-N 3.38Å; N272-G276 PolarHBondContact O-N 3.08Å
273P86.8Confident95.5Very high70 Ų7066.6 Ų66.646%0.45532%0.32SS..THydrogen-bonded Turntrans-55.4-24.7-177.3-30.936.9000115.5L258 L279L258-P273 HydrophobicContact CD1-CG 4.46Å; P273-L279 WeakPolarHBondContact O-CD1 3.27Å
274E84.4Confident95.6Very high163 Ų16365.8 Ų65.876%0.76232%0.315SS*.THydrogen-bonded Turntrans-81.7-20.3176.9-60.5-177.9-177.900113.3N272 K281N272-E274 PolarHBondContact O-N 2.92Å; E274-K281 PolarHBondContact O-NZ 2.94Å
275E87.4Confident95.6Very high126 Ų12666 Ų6659%0.58932%0.316SS*.SBendtrans-101.53.8-178.4-61.4-179.7151.600112.6N272N272-E275 HydrophobicContact CB-CB 4.21Å; N272-E275 HydrophobicContact CB-CG 4.09Å; N272-E275 PolarHBondContact ND2-OE2 3.41Å; N272-E275 CarbonylContact O-C 3.48Å; N272-E275 WeakPolarHBondContact O-CA 3.46Å; N272-E275 PolarHBondContact O-N 3.38Å
276G93.9Very high95.6Very high6 Ų664.4 Ų64.46%0.06231%0.309CS..  trans-52.5141.4178.800000113.2P257 N272 G278 L279P257-G276 CarbonylContact O-C 3.57Å; P257-G276 VanDerWaalsContact O-CA 3.28Å; P257-G276 WeakPolarHBondContact O-CA 3.35Å; N272-G276 PolarHBondContact O-N 3.08Å; G276-G278 PolarHBondContact O-N 3.01Å; G276-L279 WeakPolarHBondContact O-CG 3.48Å; G276-L279 PolarHBondContact O-N 3.46Å
277V96.1Very high95.7Very high45 Ų4557.7 Ų57.727%0.27328%0.278SS..THydrogen-bonded Turntrans-59.2129.7-175.1179.30000110.6A254 P257 P260 L271 L279A254-V277 HydrophobicContact CB-CG1 4.01Å; P257-V277 PolarHBondContact O-N 3.35Å; P260-V277 HydrophobicContact CB-CG2 4.08Å; P260-V277 HydrophobicContact CG-CG2 3.82Å; L271-V277 HydrophobicContact CD1-CG2 4.16Å; V277-L279 PolarHBondContact O-N 3.31Å
278G95.4Very high95.7Very high25 Ų2548.9 Ų48.926%0.25824%0.244SC..THydrogen-bonded Turntrans71.810.3171.800000115.5N250 G276N250-G278 PolarHBondContact N-O 2.78Å; G276-G278 PolarHBondContact O-N 3.01Å
279L97.4Very high95.7Very high19 Ų1949 Ų4910%0.09924%0.243CC..  trans-65.4131174.1-71.1173000111.4L106 Y154 L249 P273 G276 V277L106-L279 HydrophobicContact CD2-CD2 4.4Å; Y154-L279 HydrophobicContact CD1-CD2 3.85Å; Y154-L279 HydrophobicContact CG-CD2 4.22Å; L249-L279 HydrophobicContact CD2-CD2 3.73Å; L249-L279 HydrophobicContact CD2-CG 4.38Å; P273-L279 WeakPolarHBondContact O-CD1 3.27Å; G276-L279 WeakPolarHBondContact O-CG 3.48Å; G276-L279 PolarHBondContact O-N 3.46Å; V277-L279 PolarHBondContact O-N 3.31Å
280P97.3Very high95.7Very high9 Ų945.8 Ų45.86%0.05824%0.235CC..  trans-68.7151.4173.929.5-34000111.2Y154 V204 M208 V248Y154-P280 WeakPolarHBondContact O-CD 2.94Å; Y154-P280 VanDerWaalsContact O-CG 3.24Å; Y154-P280 WeakPolarHBondContact O-CG 3.41Å; V204-P280 HydrophobicContact CG1-CB 3.76Å; M208-P280 HydrophobicContact SD-CB 4.09Å; V248-P280 HydrophobicContact CG2-CG 3.87Å
281K96.9Very high95.8Very high129 Ų12943.9 Ų43.956%0.56123%0.228SC*.SBendtrans-109.30.8-178.7-55.4-61.7-179-179.80113.8M208 E274M208-K281 HydrophobicContact CE-CB 3.76Å; M208-K281 HydrophobicContact CE-CG 3.79Å; M208-K281 PolarHBondContact SD-N 3Å; E274-K281 PolarHBondContact O-NZ 2.94Å
282I98.4Very high95.8Very high20 Ų2041.5 Ų41.510%0.10322%0.216CC..SBendtrans-126.5146.217664.7-179.9000110.1P156 V204 A207 M208 A212 V215 V284P156-I282 VanDerWaalsContact CD-O 3.27Å; P156-I282 WeakPolarHBondContact CD-O 3.48Å; P156-I282 WeakPolarHBondContact CG-O 3.39Å; V204-I282 HydrophobicContact CG1-CG1 4.42Å; A207-I282 HydrophobicContact CB-CD1 4.35Å; M208-I282 HydrophobicContact CB-CD1 4.46Å; M208-I282 HydrophobicContact CG-CD1 3.52Å; M208-I282 HydrophobicContact CG-CG1 3.6Å; M208-I282 HydrophobicContact CG-CG2 4.3Å; M208-I282 HydrophobicContact SD-CG1 4.37Å; A212-I282 HydrophobicContact CB-CD1 4.28Å; V215-I282 HydrophobicContact CG2-CD1 3.68Å; V215-I282 HydrophobicContact CG2-CG1 4.33Å; I282-V284 WeakPolarHBondContact O-CG2 3.24Å
283P98.7Very high96.1Very high12 Ų1239.1 Ų39.18%0.07821%0.205CC..  trans-62.3142.1179.9-26.437.5000113.1S155 P160 G214 V215 M333 I335S155-P283 WeakPolarHBondContact OG-CA 3.4Å; P160-P283 HydrophobicContact CG-CB 4.34Å; P160-P283 HydrophobicContact CG-CG 3.96Å; G214-P283 CarbonylContact C-O 3.59Å; G214-P283 WeakPolarHBondContact CA-O 3.16Å; V215-P283 PolarHBondContact N-O 2.78Å; P283-M333 HydrophobicContact CB-CE 4.26Å; P283-M333 WeakPolarHBondContact O-CE 3.37Å; P283-I335 HydrophobicContact CB-CB 4.19Å; P283-I335 HydrophobicContact CB-CG1 3.73Å
284V98.9Very high96.6Very high1 Ų139.3 Ų39.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-134135.6-178.5-168.50000110.2S155 V204 V215 M217 V248 I282S155-V284 WeakPolarHBondContact CB-O 3.38Å; S155-V284 PolarHBondContact OG-N 2.89Å; S155-V284 PolarHBondContact OG-O 2.88Å; V204-V284 HydrophobicContact CB-CG2 4.42Å; V204-V284 HydrophobicContact CG1-CG2 3.7Å; V204-V284 HydrophobicContact CG2-CB 4.49Å; V204-V284 HydrophobicContact CG2-CG1 3.96Å; V204-V284 HydrophobicContact CG2-CG2 3.74Å; V215-V284 HydrophobicContact CB-CG1 4.09Å; V215-V284 HydrophobicContact CB-CG2 4.24Å; V215-V284 HydrophobicContact CG1-CG1 4.31Å; V215-V284 VanDerWaalsContact O-CA 3.27Å; V215-V284 WeakPolarHBondContact O-CA 3.32Å; M217-V284 HydrophobicContact CE-CG1 3.85Å; M217-V284 HydrophobicContact CG-CG1 4.38Å; M217-V284 HydrophobicContact SD-CG1 4.38Å; V248-V284 HydrophobicContact CG1-CG1 4.12Å; V248-V284 HydrophobicContact CG2-CB 4.46Å; V248-V284 HydrophobicContact CG2-CG2 4.4Å; I282-V284 WeakPolarHBondContact O-CG2 3.24Å
285H98.9Very high97.3Very high6 Ų631.6 Ų31.63%0.02816%0.163CC..EExtended strand (participates in β ladder)trans-147.3135.1178.8-162.159.4000113.1N116 I118 P150 V215 I216 M217 M333 I335N116-H285 WeakPolarHBondContact CB-CE1 3.35Å; I118-H285 HydrophobicContact CD1-CB 4.19Å; P150-H285 PolarHBondContact O-CE1 2.9Å; P150-H285 VanDerWaalsContact O-CE1 3.23Å; V215-H285 PolarHBondContact O-N 3.14Å; I216-H285 WeakPolarHBondContact CA-O 3.35Å; M217-H285 PolarHBondContact N-O 2.86Å; H285-M333 HydrophobicContact CB-CE 3.97Å; H285-I335 HydrophobicContact CB-CD1 3.63Å
286P98.8Very high97.8Very high2 Ų225.6 Ų25.61%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-87.5146.7173.335-30.7000111.6P150 S152 Y195 M217 Q244P150-P286 HydrophobicContact CB-CG 4.13Å; S152-P286 WeakPolarHBondContact OG-CD 3.48Å; Y195-P286 HydrophobicContact CE2-CB 4.22Å; M217-P286 CarbonylContact O-C 3.53Å; M217-P286 VanDerWaalsContact O-CA 3.25Å; M217-P286 WeakPolarHBondContact O-CA 3.47Å; Q244-P286 WeakPolarHBondContact O-CB 3.25Å
287I98.8Very high98Very high5 Ų530.1 Ų30.13%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-135.3157.8174.263.3175.2000111.5I118 T131 I192 I216 M217 F218 D291 A292 L295I118-I287 HydrophobicContact CD1-CG2 3.54Å; T131-I287 HydrophobicContact CG2-CG2 4.16Å; I192-I287 HydrophobicContact CD1-CD1 4.49Å; I216-I287 HydrophobicContact CG2-CD1 3.6Å; I216-I287 HydrophobicContact CG2-CG1 3.93Å; I216-I287 HydrophobicContact CG2-CG2 4.41Å; M217-I287 PolarHBondContact O-N 3.34Å; F218-I287 WeakPolarHBondContact CA-O 3.38Å; F218-I287 HydrophobicContact CB-CD1 4.37Å; F218-I287 HydrophobicContact CB-CG1 3.7Å; I287-D291 HydrophobicContact CB-CB 4.22Å; I287-D291 HydrophobicContact CD1-CB 4.26Å; I287-A292 HydrophobicContact CD1-CB 3.9Å; I287-A292 HydrophobicContact CG1-CB 4.37Å; I287-L295 HydrophobicContact CD1-CD1 3.61Å
288G98.4Very high98Very high3 Ų329.7 Ų29.73%0.03115%0.149CC..  trans-72.3162.4169.300000112.2G240 G242 H290 D291 A292G240-G288 CarbonylContact O-C 3.53Å; G242-G288 VanDerWaalsContact O-CA 3.24Å; G242-G288 WeakPolarHBondContact O-CA 3.12Å; G288-H290 VanDerWaalsContact C-N 3.32Å; G288-H290 PolarHBondContact O-N 3.18Å; G288-D291 PolarHBondContact O-N 3.13Å; G288-A292 PolarHBondContact O-N 2.96Å
289F98.3Very high98.1Very high20 Ų2028.5 Ų28.59%0.08814%0.137CC..Hα-helixtrans-75.8-18.5-175.665.5-109.2000114.2S219 P221 W225 L238 G240 T293 L312S219-F289 WeakPolarHBondContact O-CB 3.19Å; S219-F289 WeakPolarHBondContact O-CD1 3.43Å; P221-F289 HydrophobicContact CG-CB 4.39Å; P221-F289 HydrophobicContact CG-CD1 4.04Å; P221-F289 HydrophobicContact CG-CD2 3.91Å; P221-F289 HydrophobicContact CG-CE1 4.21Å; P221-F289 HydrophobicContact CG-CE2 4.11Å; P221-F289 HydrophobicContact CG-CG 3.87Å; P221-F289 HydrophobicContact CG-CZ 4.24Å; W225-F289 HydrophobicContact CE3-CZ 4.4Å; W225-F289 HydrophobicContact CZ3-CZ 4.1Å; L238-F289 HydrophobicContact CD2-CD1 4.45Å; L238-F289 HydrophobicContact CG-CE1 4.45Å; L238-F289 WeakPolarHBondContact O-CE1 3.47Å; G240-F289 VanDerWaalsContact CA-CE1 3.43Å; G240-F289 PolarHBondContact O-N 3.3Å; G240-F289 VanDerWaalsContact O-N 3.13Å; F289-T293 PolarHBondContact O-N 3.31Å; F289-T293 PolarHBondContact O-OG1 2.99Å; F289-L312 HydrophobicContact CB-CD2 4.12Å; F289-L312 HydrophobicContact CD2-CD2 4.08Å; F289-L312 HydrophobicContact CG-CD2 4.45Å
290H97.8Very high98.1Very high107 Ų10727.8 Ų27.850%0.49513%0.134SC..Hα-helixtrans-61.9-49.3166.1-73.9179.2000110.8G240 G288 A292 T293 H294G240-H290 WeakPolarHBondContact O-CB 3.36Å; G240-H290 PolarHBondContact O-N 3.49Å; G288-H290 VanDerWaalsContact C-N 3.32Å; G288-H290 PolarHBondContact O-N 3.18Å; H290-A292 PolarHBondContact O-N 2.86Å; H290-T293 VanDerWaalsContact O-CB 3.29Å; H290-T293 WeakPolarHBondContact O-CB 3.43Å; H290-T293 PolarHBondContact O-N 2.71Å; H290-H294 PolarHBondContact O-CD2 2.58Å; H290-H294 PolarHBondContact O-N 3.02Å
291D98.5Very high98Very high14 Ų1429.4 Ų29.48%0.07515%0.153CC..Hα-helixtrans-66.1-38.9177.7-73.5-22.6000111.7F129 T131 S132 I287 G288 T293 H294 L295F129-D291 HydrophobicContact CZ-CB 4.41Å; T131-D291 HydrophobicContact CG2-CB 3.98Å; S132-D291 WeakPolarHBondContact CB-OD2 3.42Å; S132-D291 PolarHBondContact N-OD2 2.79Å; S132-D291 PolarHBondContact OG-OD2 3Å; I287-D291 HydrophobicContact CB-CB 4.22Å; I287-D291 HydrophobicContact CD1-CB 4.26Å; G288-D291 PolarHBondContact O-N 3.13Å; D291-T293 VanDerWaalsContact C-N 3.25Å; D291-T293 PolarHBondContact O-N 2.96Å; D291-H294 WeakPolarHBondContact O-CB 3.26Å; D291-H294 PolarHBondContact O-N 3.27Å; D291-H294 VanDerWaalsContact O-N 3.11Å; D291-L295 PolarHBondContact O-N 2.85Å
292A98.6Very high97.9Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-60.6-35.5174.200000112.3F218 I287 G288 H290 H294 L295 L296 L312F218-A292 HydrophobicContact CB-CB 3.71Å; F218-A292 HydrophobicContact CD1-CB 4.24Å; F218-A292 HydrophobicContact CD2-CB 3.4Å; F218-A292 VanDerWaalsContact CD2-CB 3.4Å; F218-A292 HydrophobicContact CE2-CB 4.04Å; F218-A292 HydrophobicContact CG-CB 3.52Å; I287-A292 HydrophobicContact CD1-CB 3.9Å; I287-A292 HydrophobicContact CG1-CB 4.37Å; G288-A292 PolarHBondContact O-N 2.96Å; H290-A292 PolarHBondContact O-N 2.86Å; A292-H294 VanDerWaalsContact C-N 3.29Å; A292-H294 PolarHBondContact O-N 3.14Å; A292-L295 PolarHBondContact O-N 2.94Å; A292-L296 WeakPolarHBondContact O-CB 3.41Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.41Å; A292-L296 PolarHBondContact O-N 3.19Å; A292-L312 HydrophobicContact CB-CD1 4.38Å
293T98.4Very high97.7Very high40 Ų4032.6 Ų32.625%0.24517%0.172CC..Hα-helixtrans-60.5-40.4175.5-59.40000111.2F289 H290 D291 L295 L296 K297 V314F289-T293 PolarHBondContact O-N 3.31Å; F289-T293 PolarHBondContact O-OG1 2.99Å; H290-T293 VanDerWaalsContact O-CB 3.29Å; H290-T293 WeakPolarHBondContact O-CB 3.43Å; H290-T293 PolarHBondContact O-N 2.71Å; D291-T293 VanDerWaalsContact C-N 3.25Å; D291-T293 PolarHBondContact O-N 2.96Å; T293-L295 VanDerWaalsContact C-N 3.35Å; T293-L295 PolarHBondContact O-N 2.84Å; T293-L296 PolarHBondContact O-N 3.03Å; T293-K297 VanDerWaalsContact O-CB 3.26Å; T293-K297 WeakPolarHBondContact O-CB 3.36Å; T293-K297 WeakPolarHBondContact O-CG 3.32Å; T293-K297 PolarHBondContact O-N 3.41Å; T293-V314 HydrophobicContact CG2-CG1 3.9Å
294H97.9Very high97.5Very high74 Ų7432.3 Ų32.334%0.34317%0.17SC..Hα-helixtrans-65.9-35.4177-72-75.9000113.1F129 H290 D291 A292 K297F129-H294 HydrophobicContact CD1-CB 4.28Å; F129-H294 HydrophobicContact CD2-CB 4.19Å; F129-H294 HydrophobicContact CE1-CB 3.83Å; F129-H294 HydrophobicContact CE2-CB 3.72Å; F129-H294 AromaticContact CE2-CD2 3.75Å; F129-H294 AromaticContact CE2-CG 3.63Å; F129-H294 HydrophobicContact CG-CB 4.45Å; F129-H294 HydrophobicContact CZ-CB 3.53Å; F129-H294 AromaticContact CZ-CD2 3.99Å; F129-H294 AromaticContact CZ-CG 3.87Å; H290-H294 PolarHBondContact O-CD2 2.58Å; H290-H294 PolarHBondContact O-N 3.02Å; D291-H294 WeakPolarHBondContact O-CB 3.26Å; D291-H294 PolarHBondContact O-N 3.27Å; D291-H294 VanDerWaalsContact O-N 3.11Å; A292-H294 VanDerWaalsContact C-N 3.29Å; A292-H294 PolarHBondContact O-N 3.14Å; H294-K297 WeakPolarHBondContact O-CG 3.33Å
295L98.4Very high97.2Very high0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-74.3-36.2174.7-64178.7000112.4I118 I120 F129 L164 I192 I216 I287 D291 A292 T293 F322 V331I118-L295 HydrophobicContact CG2-CD1 4.31Å; I118-L295 HydrophobicContact CG2-CD2 4.35Å; I120-L295 HydrophobicContact CD1-CD2 3.98Å; I120-L295 HydrophobicContact CG1-CD2 3.76Å; F129-L295 HydrophobicContact CE1-CD2 4.41Å; L164-L295 HydrophobicContact CD2-CB 3.99Å; I192-L295 HydrophobicContact CD1-CB 4.35Å; I192-L295 HydrophobicContact CD1-CD1 4.13Å; I216-L295 HydrophobicContact CD1-CD1 4.03Å; I216-L295 HydrophobicContact CG2-CD1 4.26Å; I287-L295 HydrophobicContact CD1-CD1 3.61Å; D291-L295 PolarHBondContact O-N 2.85Å; A292-L295 PolarHBondContact O-N 2.94Å; T293-L295 VanDerWaalsContact C-N 3.35Å; T293-L295 PolarHBondContact O-N 2.84Å; L295-F322 WeakPolarHBondContact O-CE1 3.41Å; L295-V331 HydrophobicContact CD2-CG2 4.25Å
296L98.4Very high96.9Very high0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-89.5-23.6-172.7-66.8172.4000114.2Y166 I192 F218 A292 T293 N298 M299 L312 V314 Y316Y166-L296 HydrophobicContact CD2-CD2 4.4Å; Y166-L296 HydrophobicContact CG-CD2 4.49Å; I192-L296 HydrophobicContact CD1-CD2 4.19Å; I192-L296 HydrophobicContact CD1-CG 4.21Å; I192-L296 HydrophobicContact CG2-CD2 3.85Å; F218-L296 HydrophobicContact CE1-CD1 4.19Å; F218-L296 HydrophobicContact CE2-CD1 4.27Å; F218-L296 HydrophobicContact CZ-CD1 3.79Å; A292-L296 WeakPolarHBondContact O-CB 3.41Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.41Å; A292-L296 PolarHBondContact O-N 3.19Å; T293-L296 PolarHBondContact O-N 3.03Å; L296-N298 VanDerWaalsContact C-N 3.31Å; L296-N298 PolarHBondContact O-N 3.25Å; L296-M299 HydrophobicContact CD2-CG 4.23Å; L296-M299 WeakPolarHBondContact O-CB 3.45Å; L296-M299 WeakPolarHBondContact O-CG 3.39Å; L296-M299 PolarHBondContact O-N 2.86Å; L296-L312 HydrophobicContact CD1-CD1 4.07Å; L296-V314 HydrophobicContact CB-CB 4.37Å; L296-V314 HydrophobicContact CB-CG1 4.42Å; L296-V314 HydrophobicContact CB-CG2 3.89Å; L296-Y316 HydrophobicContact CD1-CE1 4.32Å
297K97.2Very high96.6Very high102 Ų10244.9 Ų44.944%0.44324%0.239SC..THydrogen-bonded Turntrans-58.4-38.1-172.861.9175.3-176.8172.10114.3T293 H294 V314T293-K297 VanDerWaalsContact O-CB 3.26Å; T293-K297 WeakPolarHBondContact O-CB 3.36Å; T293-K297 WeakPolarHBondContact O-CG 3.32Å; T293-K297 PolarHBondContact O-N 3.41Å; H294-K297 WeakPolarHBondContact O-CG 3.33Å; K297-V314 HydrophobicContact CB-CG1 4.04Å
298N96.9Very high96.5Very high35 Ų3544.7 Ų44.719%0.18724%0.238CC..THydrogen-bonded Turntrans-105.911.5-172.7-68.3-19.3000112.8L296 G300 F322 T323 F326L296-N298 VanDerWaalsContact C-N 3.31Å; L296-N298 PolarHBondContact O-N 3.25Å; N298-G300 PolarHBondContact O-N 3Å; N298-F322 HydrophobicContact CB-CD1 4.2Å; N298-F322 VanDerWaalsContact O-CA 3.29Å; N298-F322 WeakPolarHBondContact O-CA 3.48Å; N298-F322 WeakPolarHBondContact O-CB 3.49Å; N298-T323 PolarHBondContact O-N 3.04Å; N298-F326 HydrophobicContact CB-CB 4.42Å; N298-F326 HydrophobicContact CB-CD2 3.91Å; N298-F326 HydrophobicContact CB-CE2 4.43Å; N298-F326 HydrophobicContact CB-CG 4.13Å; N298-F326 WeakPolarHBondContact ND2-CD1 3.49Å; N298-F326 WeakPolarHBondContact ND2-CD2 3.48Å; N298-F326 WeakPolarHBondContact ND2-CE1 3.21Å; N298-F326 VanDerWaalsContact ND2-CE2 3.28Å; N298-F326 WeakPolarHBondContact ND2-CE2 3.38Å; N298-F326 VanDerWaalsContact ND2-CZ 3.28Å; N298-F326 WeakPolarHBondContact ND2-CZ 3.48Å
299M97.7Very high96.4Very high1 Ų149.1 Ų49.11%0.00526%0.256CS..BIsolated β-bridgetrans-57.4131179.4-76.1-71.2-70.700111.3L164 L296 K317 F322L164-M299 HydrophobicContact CB-CE 4.33Å; L164-M299 HydrophobicContact CB-SD 3.82Å; L164-M299 HydrophobicContact CD2-SD 3.74Å; L164-M299 HydrophobicContact CG-CE 4.35Å; L164-M299 HydrophobicContact CG-SD 3.98Å; L164-M299 WeakPolarHBondContact O-CE 3.23Å; L296-M299 HydrophobicContact CD2-CG 4.23Å; L296-M299 WeakPolarHBondContact O-CB 3.45Å; L296-M299 WeakPolarHBondContact O-CG 3.39Å; L296-M299 PolarHBondContact O-N 2.86Å; M299-K317 HydrophobicContact CB-CB 4.2Å; M299-K317 WeakPolarHBondContact CB-O 3.28Å; M299-K317 WeakPolarHBondContact CE-O 3.48Å; M299-K317 VanDerWaalsContact O-CD 3.25Å; M299-K317 WeakPolarHBondContact O-CD 3.3Å; M299-F322 HydrophobicContact SD-CD1 4.23Å; M299-F322 HydrophobicContact SD-CE1 4.09Å
300G96.6Very high96.3Very high3 Ų349.1 Ų49.13%0.03126%0.262CS..  trans-86.9-167.117200000112N298 K317 G319 G321N298-G300 PolarHBondContact O-N 3Å; G300-K317 WeakPolarHBondContact O-CB 3.3Å; G300-G319 VanDerWaalsContact O-CA 3.24Å; G300-G319 WeakPolarHBondContact O-CA 3.3Å; G300-G319 PolarHBondContact O-N 3.23Å; G300-G321 PolarHBondContact N-O 2.91Å
301G95.3Very high96.3Very high44 Ų4447 Ų4745%0.45426%0.263SS..BIsolated β-bridgetrans81.8-162.5178.700000114.7G319G301-G319 WeakPolarHBondContact CA-O 3.45Å
302Q95.3Very high96.2Very high104 Ų10447.2 Ų47.249%0.48626%0.264SS..PPolyproline II helixtrans-79.7153.4-172.2-59.3179.514.100111.6M182 K317 T318M182-Q302 HydrophobicContact CE-CB 4.31Å; Q302-K317 VanDerWaalsContact O-CA 3.26Å; Q302-K317 WeakPolarHBondContact O-CA 3.45Å; Q302-T318 PolarHBondContact O-N 2.88Å; Q302-T318 PolarHBondContact O-OG1 3.18Å
303I94.6Very high96.1Very high112 Ų11255.1 Ų55.157%0.57431%0.307SS*.PPolyproline II helixtrans-70.9131168.9-62.9174.7000107.1K317I303-K317 HydrophobicContact CG1-CG 4.46Å
304P93.2Very high96.1Very high5 Ų554.4 Ų54.43%0.03230%0.302CS..PPolyproline II helixtrans-73.8165.4-177.436.5-41.5000110.9W308 K309 Y316 T318P304-W308 HydrophobicContact CB-CB 3.71Å; P304-W308 HydrophobicContact CB-CD2 4.25Å; P304-W308 HydrophobicContact CB-CE3 3.97Å; P304-W308 HydrophobicContact CB-CG 4.18Å; P304-W308 HydrophobicContact CG-CB 4.16Å; P304-K309 HydrophobicContact CG-CG 4.4Å; P304-Y316 WeakPolarHBondContact CD-O 3.36Å; P304-Y316 WeakPolarHBondContact CG-O 3.45Å; P304-T318 HydrophobicContact CB-CG2 3.71Å
305P94.1Very high96Very high34 Ų3453.2 Ų53.222%0.22130%0.302CS..PPolyproline II helixtrans-50.1150.2168.2-27.135.6000112.7N307 W308P305-N307 WeakPolarHBondContact CB-OD1 3.39Å; P305-N307 PolarHBondContact O-N 3.32Å; P305-N307 VanDerWaalsContact O-N 3.13Å; P305-W308 HydrophobicContact CB-CG 4.35Å; P305-W308 HydrophobicContact CG-CG 4.44Å; P305-W308 VanDerWaalsContact O-CB 3.3Å; P305-W308 WeakPolarHBondContact O-CB 3.41Å; P305-W308 PolarHBondContact O-N 3.47Å
306N92Very high96Very high140 Ų14053.4 Ų53.475%0.74930%0.303SS*.G310 helixtrans-58.8-33.2-173.5-76.8-24.9000113.7W308 K309N306-W308 PolarHBondContact O-N 3.39Å; N306-K309 PolarHBondContact O-N 3.47Å
307N92.6Very high96Very high100 Ų10056.2 Ų56.254%0.53532%0.315SS..G310 helixtrans-72.4-6.4177.261.2-33.8000114.1R194 P305R194-N307 PolarHBondContact NH2-O 2.71Å; R194-N307 VanDerWaalsContact NH2-O 3.1Å; P305-N307 WeakPolarHBondContact CB-OD1 3.39Å; P305-N307 PolarHBondContact O-N 3.32Å; P305-N307 VanDerWaalsContact O-N 3.13Å
308W96.9Very high96Very high0 Ų051.4 Ų51.40%029%0.294CS..G310 helixtrans-93.4-16.6176.5-73.540.1000113.4Y166 N168 D174 Q177 L178 R194 P304 P305 N306 T318Y166-W308 HydrophobicContact CD1-CE3 4.27Å; Y166-W308 HydrophobicContact CE1-CB 4.3Å; Y166-W308 HydrophobicContact CE1-CE3 4.18Å; Y166-W308 WeakPolarHBondContact CE1-O 3.09Å; Y166-W308 WeakPolarHBondContact O-CZ3 3.31Å; Y166-W308 PolarHBondContact OH-O 2.94Å; N168-W308 HydrophobicContact CB-CB 4.43Å; N168-W308 HydrophobicContact CB-CD2 3.47Å; N168-W308 VanDerWaalsContact CB-CD2 3.47Å; N168-W308 HydrophobicContact CB-CE3 3.63Å; N168-W308 HydrophobicContact CB-CG 3.86Å; N168-W308 HydrophobicContact CB-CH2 4.09Å; N168-W308 HydrophobicContact CB-CZ2 4.03Å; N168-W308 HydrophobicContact CB-CZ3 3.94Å; D174-W308 HydrophobicContact CB-CH2 4.13Å; D174-W308 HydrophobicContact CB-CZ2 3.89Å; D174-W308 WeakPolarHBondContact O-CH2 3.35Å; Q177-W308 HydrophobicContact CB-CZ2 4.27Å; Q177-W308 HydrophobicContact CG-CZ2 4.22Å; L178-W308 HydrophobicContact CD1-CH2 4.23Å; L178-W308 HydrophobicContact CD2-CH2 3.94Å; L178-W308 HydrophobicContact CD2-CZ3 4.04Å; L178-W308 HydrophobicContact CG-CH2 3.77Å; L178-W308 HydrophobicContact CG-CZ3 4.31Å; R194-W308 VanDerWaalsContact NH2-C 3.34Å; R194-W308 PolarHBondContact NH2-O 3.35Å; R194-W308 VanDerWaalsContact NH2-O 3.13Å; P304-W308 HydrophobicContact CB-CB 3.71Å; P304-W308 HydrophobicContact CB-CD2 4.25Å; P304-W308 HydrophobicContact CB-CE3 3.97Å; P304-W308 HydrophobicContact CB-CG 4.18Å; P304-W308 HydrophobicContact CG-CB 4.16Å; P305-W308 HydrophobicContact CB-CG 4.35Å; P305-W308 HydrophobicContact CG-CG 4.44Å; P305-W308 VanDerWaalsContact O-CB 3.3Å; P305-W308 WeakPolarHBondContact O-CB 3.41Å; P305-W308 PolarHBondContact O-N 3.47Å; N306-W308 PolarHBondContact O-N 3.39Å; W308-T318 HydrophobicContact CE3-CG2 4.27Å; W308-T318 HydrophobicContact CZ3-CG2 4.23Å
309K96.4Very high96Very high96 Ų9649.8 Ų49.842%0.41729%0.286SS..  trans-67.2137.3177-69.4-174.1177.5177.90110.2R194 P304 N306 Y316R194-K309 PolarHBondContact NH1-O 3.34Å; R194-K309 VanDerWaalsContact NH1-O 3.16Å; P304-K309 HydrophobicContact CG-CG 4.4Å; N306-K309 PolarHBondContact O-N 3.47Å; K309-Y316 HydrophobicContact CB-CD2 4.49Å
310G96.6Very high96Very high20 Ų2053.1 Ų53.121%0.20631%0.307CS..  trans-100.3-154.1169.700000111.4R194 D220 Y316R194-G310 VanDerWaalsContact NH1-CA 3.32Å; D220-G310 WeakPolarHBondContact OD1-CA 3.41Å; G310-Y316 VanDerWaalsContact CA-CZ 3.43Å; G310-Y316 WeakPolarHBondContact CA-OH 3.33Å; G310-Y316 VanDerWaalsContact N-CZ 3.26Å
311A96.8Very high96.1Very high64 Ų6453 Ų5353%0.52931%0.307SS..SBendtrans-110.29.1-175.700000114.1D220 P221 A222 Y316D220-A311 PolarHBondContact OD1-N 3.49Å; P221-A311 HydrophobicContact CB-CB 4.11Å; A222-A311 HydrophobicContact CB-CB 3.96Å; A311-Y316 PolarHBondContact N-OH 2.95Å; A311-Y316 VanDerWaalsContact N-OH 3.11Å
312L97.4Very high96.2Very high18 Ų1851.6 Ų51.69%0.09429%0.288CS..SBendtrans-75.5148.6170.9-59.5176.9000111.1F218 P221 F289 A292 L296 V314 Y316F218-L312 HydrophobicContact CD2-CD1 4.43Å; F218-L312 HydrophobicContact CE2-CD1 3.78Å; P221-L312 HydrophobicContact CG-CD2 3.82Å; F289-L312 HydrophobicContact CB-CD2 4.12Å; F289-L312 HydrophobicContact CD2-CD2 4.08Å; F289-L312 HydrophobicContact CG-CD2 4.45Å; A292-L312 HydrophobicContact CB-CD1 4.38Å; L296-L312 HydrophobicContact CD1-CD1 4.07Å; L312-V314 HydrophobicContact CB-CG2 3.9Å; L312-V314 PolarHBondContact O-N 3.2Å; L312-Y316 HydrophobicContact CB-CE2 4.16Å; L312-Y316 WeakPolarHBondContact CB-OH 3.41Å; L312-Y316 WeakPolarHBondContact CG-OH 3.3Å; L312-Y316 PolarHBondContact N-OH 3.44Å; L312-Y316 WeakPolarHBondContact O-CE2 3.5Å
313N96.6Very high96.3Very high166 Ų16649.4 Ų49.489%0.88828%0.282SS*.SBendtrans-78.761.8175.8-170.223.4000111.6
314V97.2Very high96.3Very high25 Ų2546.1 Ų46.115%0.15228%0.275CS..SBendtrans-140.7166.2179.8-59.60000110.4T293 L296 K297 L312 Y316T293-V314 HydrophobicContact CG2-CG1 3.9Å; L296-V314 HydrophobicContact CB-CB 4.37Å; L296-V314 HydrophobicContact CB-CG1 4.42Å; L296-V314 HydrophobicContact CB-CG2 3.89Å; K297-V314 HydrophobicContact CB-CG1 4.04Å; L312-V314 HydrophobicContact CB-CG2 3.9Å; L312-V314 PolarHBondContact O-N 3.2Å; V314-Y316 VanDerWaalsContact C-N 3.32Å; V314-Y316 HydrophobicContact CG2-CD2 3.73Å; V314-Y316 HydrophobicContact CG2-CE1 4.47Å; V314-Y316 HydrophobicContact CG2-CE2 3.64Å; V314-Y316 HydrophobicContact CG2-CG 4.18Å; V314-Y316 WeakPolarHBondContact O-CD2 3.13Å; V314-Y316 PolarHBondContact O-N 2.79Å
315S96.3Very high96.4Very high48 Ų4853.2 Ų53.234%0.33631%0.313SS..  trans-75.1-18.8-17765.40000114.6K317S315-K317 PolarHBondContact O-N 3.49Å; S315-K317 WeakPolarHBondContact OG-CG 3.34Å; S315-K317 PolarHBondContact OG-N 3.18Å
316Y98Very high96.5Very high4 Ų454.9 Ų54.92%0.01632%0.317CS..  trans55.721.6-170.5-70.7-91.7000114.4Y166 D220 L296 P304 K309 G310 A311 L312 V314 T318Y166-Y316 HydrophobicContact CD1-CD1 4.33Å; Y166-Y316 WeakPolarHBondContact CD1-O 2.9Å; Y166-Y316 AromaticContact CE1-CD1 3.71Å; Y166-Y316 HydrophobicContact CE1-CD1 3.71Å; Y166-Y316 HydrophobicContact CE1-CG 4.41Å; Y166-Y316 HydrophobicContact CE2-CD1 4.35Å; Y166-Y316 AromaticContact CZ-CD1 3.71Å; D220-Y316 PolarHBondContact OD1-OH 3.05Å; D220-Y316 WeakPolarHBondContact OD2-CE1 3.43Å; D220-Y316 PolarHBondContact OD2-OH 3.4Å; L296-Y316 HydrophobicContact CD1-CE1 4.32Å; P304-Y316 WeakPolarHBondContact CD-O 3.36Å; P304-Y316 WeakPolarHBondContact CG-O 3.45Å; K309-Y316 HydrophobicContact CB-CD2 4.49Å; G310-Y316 VanDerWaalsContact CA-CZ 3.43Å; G310-Y316 WeakPolarHBondContact CA-OH 3.33Å; G310-Y316 VanDerWaalsContact N-CZ 3.26Å; A311-Y316 PolarHBondContact N-OH 2.95Å; A311-Y316 VanDerWaalsContact N-OH 3.11Å; L312-Y316 HydrophobicContact CB-CE2 4.16Å; L312-Y316 WeakPolarHBondContact CB-OH 3.41Å; L312-Y316 WeakPolarHBondContact CG-OH 3.3Å; L312-Y316 PolarHBondContact N-OH 3.44Å; L312-Y316 WeakPolarHBondContact O-CE2 3.5Å; V314-Y316 VanDerWaalsContact C-N 3.32Å; V314-Y316 HydrophobicContact CG2-CD2 3.73Å; V314-Y316 HydrophobicContact CG2-CE1 4.47Å; V314-Y316 HydrophobicContact CG2-CE2 3.64Å; V314-Y316 HydrophobicContact CG2-CG 4.18Å; V314-Y316 WeakPolarHBondContact O-CD2 3.13Å; V314-Y316 PolarHBondContact O-N 2.79Å; Y316-T318 PolarHBondContact O-N 3.41Å
317K98.2Very high96.6Very high60 Ų6055 Ų5526%0.26131%0.311SS..  trans-53.2141.2177.6-74.1176.1168.3-172.40111.1M299 G300 Q302 I303 S315 G319M299-K317 HydrophobicContact CB-CB 4.2Å; M299-K317 WeakPolarHBondContact CB-O 3.28Å; M299-K317 WeakPolarHBondContact CE-O 3.48Å; M299-K317 VanDerWaalsContact O-CD 3.25Å; M299-K317 WeakPolarHBondContact O-CD 3.3Å; G300-K317 WeakPolarHBondContact O-CB 3.3Å; Q302-K317 VanDerWaalsContact O-CA 3.26Å; Q302-K317 WeakPolarHBondContact O-CA 3.45Å; I303-K317 HydrophobicContact CG1-CG 4.46Å; S315-K317 PolarHBondContact O-N 3.49Å; S315-K317 WeakPolarHBondContact OG-CG 3.34Å; S315-K317 PolarHBondContact OG-N 3.18Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.4Å
318T97.4Very high96.7Very high0 Ų053 Ų530%031%0.305CS..  trans-75-16.7-167.949.60000114.1V165 Y166 L178 M182 I184 Q302 P304 W308 Y316V165-T318 CarbonylContact C-O 3.36Å; V165-T318 VanDerWaalsContact CA-O 3.26Å; V165-T318 WeakPolarHBondContact CA-O 3.4Å; V165-T318 VanDerWaalsContact CG1-O 3.29Å; V165-T318 WeakPolarHBondContact CG1-O 3.44Å; Y166-T318 PolarHBondContact N-O 2.97Å; L178-T318 HydrophobicContact CD2-CG2 4.41Å; M182-T318 HydrophobicContact CE-CG2 3.63Å; M182-T318 HydrophobicContact SD-CG2 4.44Å; I184-T318 VanDerWaalsContact CD1-OG1 3.22Å; I184-T318 WeakPolarHBondContact CD1-OG1 3.35Å; Q302-T318 PolarHBondContact O-N 2.88Å; Q302-T318 PolarHBondContact O-OG1 3.18Å; P304-T318 HydrophobicContact CB-CG2 3.71Å; W308-T318 HydrophobicContact CE3-CG2 4.27Å; W308-T318 HydrophobicContact CZ3-CG2 4.23Å; Y316-T318 PolarHBondContact O-N 3.41Å
319G97.4Very high96.8Very high2 Ų254.4 Ų54.42%0.02131%0.311CS..BIsolated β-bridgetrans82.5-161.3-168.300000111.9G300 G301 K317G300-G319 VanDerWaalsContact O-CA 3.24Å; G300-G319 WeakPolarHBondContact O-CA 3.3Å; G300-G319 PolarHBondContact O-N 3.23Å; G301-G319 WeakPolarHBondContact CA-O 3.45Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.4Å
320P97.6Very high96.9Very high70 Ų7052.6 Ų52.646%0.45530%0.304SS..SBendcis-73.9142.84.429.4-34.6000113.4D163 L164 V165D163-P320 HydrophobicContact CB-CB 4.13Å; L164-P320 WeakPolarHBondContact O-CA 3.11Å; V165-P320 HydrophobicContact CG2-CB 4Å
321G97.8Very high97Very high2 Ų251.7 Ų51.72%0.02129%0.294CS..SBendtrans77.9-172.4170.200000113.9D163 L164 G300D163-G321 WeakPolarHBondContact OD1-CA 3.42Å; L164-G321 PolarHBondContact O-N 3.43Å; G300-G321 PolarHBondContact N-O 2.91Å
322F98.3Very high97.1Very high13 Ų1351.2 Ų51.26%0.05728%0.279CS..BIsolated β-bridgetrans-98.1168.1-176.3-55-63.5000112.6I120 L295 N298 M299 F326 K327 Q329 V331I120-F322 HydrophobicContact CD1-CZ 4.22Å; I120-F322 HydrophobicContact CG1-CZ 4.25Å; I120-F322 HydrophobicContact CG2-CE2 4.09Å; L295-F322 WeakPolarHBondContact O-CE1 3.41Å; N298-F322 HydrophobicContact CB-CD1 4.2Å; N298-F322 VanDerWaalsContact O-CA 3.29Å; N298-F322 WeakPolarHBondContact O-CA 3.48Å; N298-F322 WeakPolarHBondContact O-CB 3.49Å; M299-F322 HydrophobicContact SD-CD1 4.23Å; M299-F322 HydrophobicContact SD-CE1 4.09Å; F322-F326 HydrophobicContact CB-CB 3.67Å; F322-F326 WeakPolarHBondContact CB-O 3.35Å; F322-F326 HydrophobicContact CG-CB 4.36Å; F322-K327 WeakPolarHBondContact O-CG 3.2Å; F322-Q329 HydrophobicContact CD2-CB 3.72Å; F322-Q329 WeakPolarHBondContact CD2-O 3.33Å; F322-Q329 HydrophobicContact CE2-CB 4.01Å; F322-V331 HydrophobicContact CE2-CG2 4.16Å; F322-V331 HydrophobicContact CZ-CG2 3.71Å
323T96.9Very high97.1Very high59 Ų5950.4 Ų50.436%0.36227%0.274SS..  trans-115.9168.7-179.9-170.30000112.9N298 F326N298-T323 PolarHBondContact O-N 3.04Å; T323-F326 WeakPolarHBondContact O-CB 3.38Å; T323-F326 WeakPolarHBondContact O-CD2 3.29Å; T323-F326 PolarHBondContact O-N 3.2Å
324G95.1Very high97.2Very high42 Ų4242.8 Ų42.843%0.43323%0.234SC..G310 helixtrans60.9-135178.600000112.5F326 K327G324-F326 PolarHBondContact O-N 3.09Å; G324-F326 VanDerWaalsContact O-N 3.13Å; G324-K327 VanDerWaalsContact O-CG 3.31Å; G324-K327 WeakPolarHBondContact O-CG 3.31Å; G324-K327 PolarHBondContact O-N 3.42Å
325D94.1Very high97.3Very high155 Ų15541.6 Ų41.683%0.82923%0.226SC*.G310 helixtrans-66.5-11.2-179.6-57.6-29.3000113.3
326F96.3Very high97.4Very high69 Ų6941.6 Ų41.630%0.30322%0.219SC..G310 helixtrans-94.6-1.8-177.6-50.7-80.2000113.2N298 F322 T323 G324 S328 Q329N298-F326 HydrophobicContact CB-CB 4.42Å; N298-F326 HydrophobicContact CB-CD2 3.91Å; N298-F326 HydrophobicContact CB-CE2 4.43Å; N298-F326 HydrophobicContact CB-CG 4.13Å; N298-F326 WeakPolarHBondContact ND2-CD1 3.49Å; N298-F326 WeakPolarHBondContact ND2-CD2 3.48Å; N298-F326 WeakPolarHBondContact ND2-CE1 3.21Å; N298-F326 VanDerWaalsContact ND2-CE2 3.28Å; N298-F326 WeakPolarHBondContact ND2-CE2 3.38Å; N298-F326 VanDerWaalsContact ND2-CZ 3.28Å; N298-F326 WeakPolarHBondContact ND2-CZ 3.48Å; F322-F326 HydrophobicContact CB-CB 3.67Å; F322-F326 WeakPolarHBondContact CB-O 3.35Å; F322-F326 HydrophobicContact CG-CB 4.36Å; T323-F326 WeakPolarHBondContact O-CB 3.38Å; T323-F326 WeakPolarHBondContact O-CD2 3.29Å; T323-F326 PolarHBondContact O-N 3.2Å; G324-F326 PolarHBondContact O-N 3.09Å; G324-F326 VanDerWaalsContact O-N 3.13Å; F326-S328 PolarHBondContact O-N 3.33Å; F326-Q329 VanDerWaalsContact O-CB 3.29Å; F326-Q329 WeakPolarHBondContact O-CB 3.48Å; F326-Q329 PolarHBondContact O-N 3.1Å
327K95.3Very high97.3Very high141 Ų14141.6 Ų41.661%0.61322%0.22SC*.THydrogen-bonded Turntrans-53.9-30.4-173.7-81.6176.5-179.5-177.30115.3F322 G324 Q329F322-K327 WeakPolarHBondContact O-CG 3.2Å; G324-K327 VanDerWaalsContact O-CG 3.31Å; G324-K327 WeakPolarHBondContact O-CG 3.31Å; G324-K327 PolarHBondContact O-N 3.42Å; K327-Q329 VanDerWaalsContact C-N 3.34Å
328S95.1Very high97.1Very high60 Ų6041.3 Ų41.342%0.4222%0.221SC..THydrogen-bonded Turntrans-84.4-10179.360.90000113.5F326F326-S328 PolarHBondContact O-N 3.33Å
329Q97.9Very high97.1Very high28 Ų2844.1 Ų44.113%0.13124%0.236CC..  trans-75.9148.4-179.7-63.1-178.3-10.200111.5I120 V121 F322 F326 K327I120-Q329 HydrophobicContact CG2-CB 3.78Å; I120-Q329 HydrophobicContact CG2-CG 4.22Å; I120-Q329 VanDerWaalsContact CG2-OE1 3.32Å; V121-Q329 CarbonylContact O-C 3.53Å; V121-Q329 WeakPolarHBondContact O-CA 3.31Å; V121-Q329 WeakPolarHBondContact O-CB 3.26Å; F322-Q329 HydrophobicContact CD2-CB 3.72Å; F322-Q329 WeakPolarHBondContact CD2-O 3.33Å; F322-Q329 HydrophobicContact CE2-CB 4.01Å; F326-Q329 VanDerWaalsContact O-CB 3.29Å; F326-Q329 WeakPolarHBondContact O-CB 3.48Å; F326-Q329 PolarHBondContact O-N 3.1Å; K327-Q329 VanDerWaalsContact C-N 3.34Å
330K98.3Very high97Very high59 Ų5948.6 Ų48.626%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-127160.9175.8-58.3-64.1176.1-172.50109.8I120 V121 E161 D163I120-K330 CarbonylContact C-O 3.57Å; I120-K330 WeakPolarHBondContact CA-O 3.37Å; V121-K330 HydrophobicContact CG2-CB 3.99Å; V121-K330 PolarHBondContact N-O 3.15Å; V121-K330 PolarHBondContact O-N 3.4Å; E161-K330 HydrophobicContact CG-CB 3.77Å; E161-K330 HydrophobicContact CG-CG 4.49Å; D163-K330 WeakPolarHBondContact OD1-CD 3.38Å; D163-K330 IonicContact OD1-NZ 2.94Å; D163-K330 PolarHBondContact OD1-NZ 2.87Å; D163-K330 IonicContact OD2-NZ 3.91Å; D163-K330 PolarHBondContact OD2-NZ 3.43Å
331V98.7Very high97Very high0 Ų048.6 Ų48.60%026%0.255CS..EExtended strand (participates in β ladder)trans-95.2137.4169.9175.90000108.4I118 S119 E161 G162 L164 I190 I216 L295 F322I118-V331 HydrophobicContact CG2-CG1 3.62Å; S119-V331 CarbonylContact O-C 3.39Å; S119-V331 WeakPolarHBondContact O-CA 3.19Å; E161-V331 CarbonylContact C-O 3.56Å; E161-V331 VanDerWaalsContact CA-O 3.22Å; E161-V331 WeakPolarHBondContact CA-O 3.31Å; G162-V331 PolarHBondContact N-O 3.38Å; G162-V331 PolarHBondContact O-N 3.19Å; L164-V331 HydrophobicContact CB-CG2 3.96Å; L164-V331 HydrophobicContact CD1-CG2 4.26Å; L164-V331 HydrophobicContact CD2-CG2 4.16Å; L164-V331 HydrophobicContact CG-CG2 4.36Å; I190-V331 HydrophobicContact CD1-CB 4.11Å; I190-V331 HydrophobicContact CD1-CG1 4.02Å; I190-V331 WeakPolarHBondContact CD1-O 3.17Å; I190-V331 HydrophobicContact CG2-CG1 4.47Å; I216-V331 HydrophobicContact CD1-CG1 3.8Å; L295-V331 HydrophobicContact CD2-CG2 4.25Å; F322-V331 HydrophobicContact CE2-CG2 4.16Å; F322-V331 HydrophobicContact CZ-CG2 3.71Å
332R98.8Very high97Very high55 Ų5549.3 Ų49.321%0.20826%0.26CS..EExtended strand (participates in β ladder)trans-123.8128.2172.9-178.9-170.1-62.2161.20.6109.5I118 S119 V121 G125 P160 E161I118-R332 WeakPolarHBondContact CA-O 3.44Å; S119-R332 PolarHBondContact N-O 3.19Å; S119-R332 PolarHBondContact O-N 3.5Å; S119-R332 WeakPolarHBondContact OG-CB 3.4Å; S119-R332 PolarHBondContact OG-O 2.88Å; V121-R332 HydrophobicContact CG1-CB 4.25Å; G125-R332 PolarHBondContact O-NH2 3.05Å; P160-R332 WeakPolarHBondContact O-CA 3.24Å; E161-R332 HydrophobicContact CB-CB 4.23Å; E161-R332 HydrophobicContact CB-CG 4.32Å; E161-R332 HydrophobicContact CG-CB 4.25Å; E161-R332 IonicContact OE2-CZ 2.86Å; E161-R332 VanDerWaalsContact OE2-CZ 3.24Å; E161-R332 IonicContact OE2-NE 2.74Å; E161-R332 PolarHBondContact OE2-NE 2.87Å; E161-R332 IonicContact OE2-NH2 3.75Å; E161-R332 PolarHBondContact OE2-NH2 2.98Å
333M98.8Very high97Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-94.1138.8171.6-55.1177.768.100108.8I118 H159 P160 I190 V215 I216 P283 H285 I335I118-M333 HydrophobicContact CG1-CG 4.26Å; H159-M333 CarbonylContact C-O 3.59Å; H159-M333 WeakPolarHBondContact CA-O 3.41Å; P160-M333 HydrophobicContact CG-CB 3.99Å; P160-M333 HydrophobicContact CG-CG 4.27Å; P160-M333 HydrophobicContact CG-SD 4.15Å; P160-M333 PolarHBondContact O-N 2.82Å; I190-M333 HydrophobicContact CD1-CG 4.16Å; I190-M333 HydrophobicContact CG2-CG 4.42Å; I190-M333 HydrophobicContact CG2-SD 4Å; V215-M333 VanDerWaalsContact O-CE 3.26Å; V215-M333 WeakPolarHBondContact O-CE 3.34Å; I216-M333 HydrophobicContact CG1-CE 4.25Å; I216-M333 HydrophobicContact CG1-CG 4.49Å; I216-M333 HydrophobicContact CG1-SD 4.27Å; P283-M333 HydrophobicContact CB-CE 4.26Å; P283-M333 WeakPolarHBondContact O-CE 3.37Å; H285-M333 HydrophobicContact CB-CE 3.97Å; M333-I335 HydrophobicContact CB-CG1 4.28Å; M333-I335 HydrophobicContact CE-CD1 4.42Å; M333-I335 HydrophobicContact CE-CG1 4.36Å
334N98.5Very high97.1Very high7 Ų748.9 Ų48.94%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-121.994.9176.3-61.7-73.2000108.2N116 Y117 H159 Y336N116-N334 VanDerWaalsContact CA-O 3.27Å; N116-N334 WeakPolarHBondContact CA-O 3.49Å; Y117-N334 HydrophobicContact CD1-CB 3.89Å; Y117-N334 HydrophobicContact CE1-CB 3.66Å; Y117-N334 HydrophobicContact CE2-CB 4.44Å; Y117-N334 WeakPolarHBondContact CE2-ND2 3.43Å; Y117-N334 HydrophobicContact CG-CB 4.36Å; Y117-N334 PolarHBondContact N-O 3.05Å; Y117-N334 VanDerWaalsContact N-O 3.1Å; Y117-N334 PolarHBondContact O-N 3.36Å; Y117-N334 PolarHBondContact OH-ND2 3.09Å; H159-N334 PolarHBondContact CD2-OD1 2.87Å; N334-Y336 HydrophobicContact CB-CE2 3.92Å
335I98.6Very high97.3Very high0 Ų050 Ų500%024%0.243CC..BIsolated β-bridgetrans-116124.8-173.3-49.6-57.7000111.3N116 K157 G158 P283 H285 M333N116-I335 HydrophobicContact CB-CD1 4.17Å; N116-I335 WeakPolarHBondContact OD1-CA 3.41Å; K157-I335 VanDerWaalsContact CA-O 3.24Å; K157-I335 WeakPolarHBondContact CA-O 3.39Å; G158-I335 PolarHBondContact N-O 3.17Å; G158-I335 PolarHBondContact O-N 3.11Å; P283-I335 HydrophobicContact CB-CB 4.19Å; P283-I335 HydrophobicContact CB-CG1 3.73Å; H285-I335 HydrophobicContact CB-CD1 3.63Å; M333-I335 HydrophobicContact CB-CG1 4.28Å; M333-I335 HydrophobicContact CE-CD1 4.42Å; M333-I335 HydrophobicContact CE-CG1 4.36Å
336Y98.2Very high97.5Very high47 Ų4742.6 Ų42.618%0.18420%0.203CC..  trans-128.516.1-173.3-58.3-82.3000113.3N111 Q114 N116 H159 N334 N338N111-Y336 VanDerWaalsContact CB-O 3.27Å; N111-Y336 WeakPolarHBondContact CB-O 3.43Å; Q114-Y336 HydrophobicContact CB-CD1 4.1Å; Q114-Y336 HydrophobicContact CB-CD2 3.98Å; Q114-Y336 HydrophobicContact CB-CE2 4.4Å; Q114-Y336 HydrophobicContact CB-CG 3.8Å; Q114-Y336 WeakPolarHBondContact O-CB 3.32Å; N116-Y336 PolarHBondContact OD1-N 3.46Å; H159-Y336 AromaticContact CE1-CE1 3.52Å; H159-Y336 AromaticContact CE1-CZ 3.85Å; H159-Y336 AromaticContact NE2-CE1 3.18Å; H159-Y336 WeakPolarHBondContact NE2-CE1 3.39Å; H159-Y336 AromaticContact NE2-CE2 3.86Å; H159-Y336 AromaticContact NE2-CZ 3.01Å; H159-Y336 PolarHBondContact NE2-OH 2.82Å; N334-Y336 HydrophobicContact CB-CE2 3.92Å; Y336-N338 PolarHBondContact O-ND2 3.15Å
337S96.3Very high97.7Very high4 Ų439.3 Ų39.33%0.02819%0.189CC..  trans-59.8149173.8-55.90000112Y109 N116 K157Y109-S337 CarbonylContact O-C 3.58Å; Y109-S337 WeakPolarHBondContact O-CA 3.29Å; N116-S337 PolarHBondContact ND2-OG 2.55Å; K157-S337 VanDerWaalsContact CE-O 3.31Å; K157-S337 WeakPolarHBondContact CE-O 3.13Å; K157-S337 WeakPolarHBondContact CG-O 3.2Å
338N94.6Very high97.8Very high54 Ų5432.6 Ų32.629%0.28916%0.16SC..EExtended strand (participates in β ladder)trans-124.4142.4179.4-63.9-79000110.2S108 Y109 K157 Y336S108-N338 CarbonylContact C-O 3.32Å; S108-N338 VanDerWaalsContact CA-O 3.26Å; S108-N338 WeakPolarHBondContact CA-O 3.45Å; S108-N338 PolarHBondContact OG-O 3.05Å; Y109-N338 PolarHBondContact N-O 2.91Å; Y109-N338 PolarHBondContact O-N 3.04Å; K157-N338 WeakPolarHBondContact CE-OD1 3.08Å; K157-N338 PolarHBondContact NZ-OD1 3.17Å; Y336-N338 PolarHBondContact O-ND2 3.15Å
339N97Very high98Very high59 Ų5929.7 Ų29.732%0.31614%0.14SC..EExtended strand (participates in β ladder)trans-91.5141165.2-58.8-19000109L106 L107 S108L106-N339 HydrophobicContact CD1-CB 3.75Å; L106-N339 HydrophobicContact CD2-CB 4.38Å; L106-N339 HydrophobicContact CG-CB 4.16Å; L107-N339 CarbonylContact O-C 3.59Å; L107-N339 WeakPolarHBondContact O-CA 3.33Å; S108-N339 VanDerWaalsContact CB-OD1 3.29Å; S108-N339 WeakPolarHBondContact CB-OD1 3.33Å; S108-N339 PolarHBondContact OG-OD1 3.45Å
340Q95.6Very high98.1Very high97 Ų9731.3 Ų31.345%0.45315%0.146SC..EExtended strand (participates in β ladder)trans-147.6143.2176.961177.629.700110L107 Y109 S342L107-Q340 PolarHBondContact N-O 3.48Å; L107-Q340 PolarHBondContact O-N 3.36Å; Y109-Q340 HydrophobicContact CD2-CG 3.92Å; Y109-Q340 HydrophobicContact CE2-CG 3.98Å; Y109-Q340 VanDerWaalsContact CE2-NE2 3.26Å; Q340-S342 PolarHBondContact NE2-OG 3.16Å; Q340-S342 PolarHBondContact O-N 3.43Å
341V97.6Very high98.1Very high69 Ų6928.5 Ų28.542%0.41813%0.134SC..EExtended strand (participates in β ladder)trans-71.1128.6169.9179.20000107.9D104 I105 L106 L258D104-V341 HydrophobicContact CB-CG1 3.97Å; I105-V341 CarbonylContact O-C 3.47Å; I105-V341 VanDerWaalsContact O-CA 3.27Å; I105-V341 WeakPolarHBondContact O-CA 3.43Å; L106-V341 HydrophobicContact CD1-CG2 4.42Å; L258-V341 HydrophobicContact CD1-CG2 4.12Å
342S97.8Very high98.1Very high17 Ų1736.4 Ų36.412%0.11916%0.164CC..EExtended strand (participates in β ladder)trans-140.4145-176.5-69.90000110I105 Q340I105-S342 PolarHBondContact N-O 3.48Å; I105-S342 PolarHBondContact O-N 3.44Å; Q340-S342 PolarHBondContact NE2-OG 3.16Å; Q340-S342 PolarHBondContact O-N 3.43Å
343R98.7Very high98.1Very high64 Ų6434 Ų3424%0.24216%0.156CC..EExtended strand (participates in β ladder)trans-76.5132179-177.974.474.2-169.3-6.1109.9Y103 D104 E266 Y345Y103-R343 CarbonylContact O-C 3.56Å; Y103-R343 WeakPolarHBondContact O-CA 3.47Å; D104-R343 VanDerWaalsContact OD1-CD 3.32Å; D104-R343 WeakPolarHBondContact OD1-CD 3.45Å; D104-R343 IonicContact OD1-CZ 3.03Å; D104-R343 IonicContact OD1-NE 3.16Å; D104-R343 PolarHBondContact OD1-NE 3.37Å; D104-R343 IonicContact OD1-NH1 3.18Å; D104-R343 PolarHBondContact OD1-NH1 3.49Å; D104-R343 IonicContact OD1-NH2 3.22Å; D104-R343 PolarHBondContact OD1-NH2 3.06Å; D104-R343 IonicContact OD2-CZ 2.75Å; D104-R343 IonicContact OD2-NE 2.69Å; D104-R343 IonicContact OD2-NH1 3.51Å; D104-R343 PolarHBondContact OD2-NH1 2.89Å; D104-R343 IonicContact OD2-NH2 3.35Å; D104-R343 PolarHBondContact OD2-NH2 2.78Å; E266-R343 IonicContact OE1-CZ 3.46Å; E266-R343 IonicContact OE1-NH1 3.9Å; E266-R343 IonicContact OE1-NH2 2.8Å; E266-R343 PolarHBondContact OE1-NH2 3.38Å; R343-Y345 HydrophobicContact CB-CE2 4.37Å; R343-Y345 HydrophobicContact CG-CD2 4.26Å; R343-Y345 HydrophobicContact CG-CE1 4.13Å; R343-Y345 HydrophobicContact CG-CE2 3.47Å; R343-Y345 VanDerWaalsContact CG-CE2 3.47Å; R343-Y345 VanDerWaalsContact CG-CZ 3.41Å; R343-Y345 WeakPolarHBondContact CG-OH 3.49Å
344I98.8Very high98.1Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-118.6160.8170.563.5164.4000111.2P102 Y103 I105 L107 D411 A412P102-I344 VanDerWaalsContact CA-O 3.31Å; P102-I344 WeakPolarHBondContact CA-O 3.39Å; Y103-I344 PolarHBondContact N-O 3.12Å; Y103-I344 PolarHBondContact O-N 3.26Å; I105-I344 HydrophobicContact CD1-CB 4.49Å; I105-I344 HydrophobicContact CD1-CD1 3.68Å; I105-I344 HydrophobicContact CD1-CG1 4.13Å; I105-I344 HydrophobicContact CD1-CG2 3.66Å; I105-I344 HydrophobicContact CG1-CB 4.47Å; I105-I344 HydrophobicContact CG1-CD1 3.99Å; I105-I344 HydrophobicContact CG1-CG1 3.98Å; I105-I344 HydrophobicContact CG1-CG2 3.76Å; I105-I344 HydrophobicContact CG2-CD1 4.27Å; L107-I344 HydrophobicContact CD1-CG2 3.99Å; I344-D411 WeakPolarHBondContact CA-OD2 3.49Å; I344-D411 HydrophobicContact CB-CB 4.08Å; I344-D411 WeakPolarHBondContact CB-OD2 3.46Å; I344-D411 HydrophobicContact CD1-CB 4.5Å; I344-A412 HydrophobicContact CD1-CB 4.06Å; I344-A412 HydrophobicContact CG2-CB 3.95Å
345Y98.9Very high98Very high64 Ų6442.4 Ų42.425%0.25121%0.21SC..EExtended strand (participates in β ladder)trans-136.1111.6-177.3-61.2-91000112L80 M100 P102 R343 R367 D411L80-Y345 HydrophobicContact CD1-CD1 4.47Å; L80-Y345 HydrophobicContact CD1-CD2 3.68Å; L80-Y345 HydrophobicContact CD1-CE2 3.78Å; L80-Y345 HydrophobicContact CD1-CG 4.02Å; L80-Y345 HydrophobicContact CD2-CE2 4.23Å; L80-Y345 HydrophobicContact CG-CE2 4.48Å; M100-Y345 HydrophobicContact CB-CD1 4.36Å; P102-Y345 HydrophobicContact CB-CD1 4.15Å; P102-Y345 HydrophobicContact CB-CE1 4.03Å; R343-Y345 HydrophobicContact CB-CE2 4.37Å; R343-Y345 HydrophobicContact CG-CD2 4.26Å; R343-Y345 HydrophobicContact CG-CE1 4.13Å; R343-Y345 HydrophobicContact CG-CE2 3.47Å; R343-Y345 VanDerWaalsContact CG-CE2 3.47Å; R343-Y345 VanDerWaalsContact CG-CZ 3.41Å; R343-Y345 WeakPolarHBondContact CG-OH 3.49Å; Y345-R367 PolarHBondContact O-NH1 3.49Å; Y345-R367 PolarHBondContact O-NH2 2.99Å; Y345-D411 PolarHBondContact N-OD2 3.27Å; Y345-D411 WeakPolarHBondContact O-CB 3.39Å
346N98.9Very high98Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-80.6146164.5-63.1-28.1000109.7M100 V101 I348 S409 W410 D411 G419M100-N346 CarbonylContact C-O 3.58Å; M100-N346 VanDerWaalsContact CA-O 3.26Å; M100-N346 WeakPolarHBondContact CA-O 3.38Å; V101-N346 HydrophobicContact CB-CB 4.47Å; V101-N346 PolarHBondContact N-O 3.13Å; V101-N346 PolarHBondContact O-N 3.08Å; V101-N346 VanDerWaalsContact O-N 3.11Å; N346-I348 HydrophobicContact CB-CD1 4.2Å; N346-S409 CarbonylContact C-O 3.41Å; N346-S409 WeakPolarHBondContact CA-O 3.27Å; N346-W410 HydrophobicContact CB-CE3 4.04Å; N346-W410 HydrophobicContact CB-CZ3 4.27Å; N346-D411 PolarHBondContact OD1-N 3.08Å; N346-G419 PolarHBondContact ND2-O 3.12Å
347V98.9Very high98Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-107.6120.8169.3-172.10000109A83 I86 M87 W90 V98 M100 A408 S409A83-V347 HydrophobicContact CB-CG2 3.8Å; A83-V347 WeakPolarHBondContact O-CG2 3.38Å; I86-V347 HydrophobicContact CG2-CB 4.43Å; I86-V347 HydrophobicContact CG2-CG1 4.22Å; M87-V347 HydrophobicContact CB-CG1 3.91Å; W90-V347 HydrophobicContact CE3-CG1 4.04Å; W90-V347 HydrophobicContact CZ3-CB 4.49Å; W90-V347 HydrophobicContact CZ3-CG1 4.1Å; V98-V347 HydrophobicContact CG1-CG1 3.72Å; M100-V347 HydrophobicContact CG-CG2 4.27Å; V347-A408 WeakPolarHBondContact O-CA 3.39Å; V347-S409 PolarHBondContact N-O 3.07Å; V347-S409 PolarHBondContact O-N 2.5Å
348I98.9Very high98.1Very high0 Ų044.9 Ų44.90%023%0.228CC..EExtended strand (participates in β ladder)trans-116.1113.4-177.4-50.1-59.3000109.2V98 E99 V101 N346 V406 F407 A408 W410 W423V98-I348 WeakPolarHBondContact CA-O 3.25Å; E99-I348 HydrophobicContact CG-CB 4.04Å; E99-I348 PolarHBondContact N-O 2.86Å; E99-I348 PolarHBondContact O-N 3.15Å; V101-I348 HydrophobicContact CG2-CB 4.48Å; V101-I348 HydrophobicContact CG2-CG1 3.71Å; N346-I348 HydrophobicContact CB-CD1 4.2Å; I348-V406 HydrophobicContact CG2-CG1 3.89Å; I348-F407 WeakPolarHBondContact CA-O 3.33Å; I348-A408 HydrophobicContact CD1-CB 3.85Å; I348-W410 HydrophobicContact CD1-CE3 4.37Å; I348-W410 HydrophobicContact CD1-CH2 3.81Å; I348-W410 HydrophobicContact CD1-CZ3 3.52Å; I348-W423 HydrophobicContact CD1-CD2 4.48Å; I348-W423 HydrophobicContact CD1-CZ2 4.46Å; I348-W423 HydrophobicContact CG2-CZ2 4.2Å
349G98.9Very high98.3Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-106.5144.3175.100000111.5S97 V406 F407S97-G349 CarbonylContact O-C 3.59Å; S97-G349 WeakPolarHBondContact O-CA 3.47Å; G349-V406 CarbonylContact O-C 3.53Å; G349-V406 WeakPolarHBondContact O-CA 3.24Å; G349-F407 PolarHBondContact N-O 3.19Å; G349-F407 PolarHBondContact O-N 3.44Å
350K98.9Very high98.4Very high62 Ų6242 Ų4227%0.2721%0.209SC..EExtended strand (participates in β ladder)trans-133.5138.1-179.8-56.7172.6-175.5143.90112.1D96 S97 E99 V405 V406D96-K350 PolarHBondContact N-O 3.4Å; S97-K350 PolarHBondContact O-N 3.33Å; E99-K350 IonicContact OE1-NZ 2.87Å; E99-K350 PolarHBondContact OE1-NZ 3.18Å; K350-V405 WeakPolarHBondContact CA-O 3.27Å; K350-V406 HydrophobicContact CG-CG1 4.43Å; K350-V406 HydrophobicContact CG-CG2 4.35Å
351I98.8Very high98.6Very high0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-107.8111.4159.8-55.5178.1000106.7L95 D96 G353 A391 L395 W399 P401 T404 V405 F407L95-I351 HydrophobicContact CD2-CD1 3.84Å; L95-I351 HydrophobicContact CD2-CG1 3.46Å; L95-I351 VanDerWaalsContact CD2-CG1 3.46Å; D96-I351 WeakPolarHBondContact OD2-CA 3.3Å; I351-G353 PolarHBondContact O-N 2.86Å; I351-A391 HydrophobicContact CD1-CB 3.77Å; I351-L395 HydrophobicContact CD1-CD1 3.8Å; I351-L395 HydrophobicContact CD1-CG 4.34Å; I351-L395 HydrophobicContact CG1-CD1 3.98Å; I351-L395 HydrophobicContact CG2-CD1 4.18Å; I351-L395 HydrophobicContact CG2-CD2 3.7Å; I351-L395 HydrophobicContact CG2-CG 4.48Å; I351-W399 HydrophobicContact CD1-CZ3 4.41Å; I351-P401 HydrophobicContact CB-CG 4.41Å; I351-P401 HydrophobicContact CG2-CG 3.71Å; I351-T404 CarbonylContact O-C 3.43Å; I351-T404 VanDerWaalsContact O-CA 3.27Å; I351-T404 WeakPolarHBondContact O-CA 3.37Å; I351-T404 WeakPolarHBondContact O-CG2 3.43Å; I351-V405 HydrophobicContact CB-CB 4.32Å; I351-V405 PolarHBondContact N-O 3.28Å; I351-V405 PolarHBondContact O-N 3.25Å; I351-F407 HydrophobicContact CD1-CE2 3.78Å; I351-F407 HydrophobicContact CD1-CZ 4.37Å; I351-F407 HydrophobicContact CG1-CE2 4.05Å
352R98.8Very high98.7Very high166 Ų16634.1 Ų34.163%0.62617%0.168SC*.  trans-67.1128.7178.9-173.6179178.6-160.5-0.7110.3D96 P357 R400D96-R352 WeakPolarHBondContact OD2-CB 3.21Å; D96-R352 PolarHBondContact OD2-N 2.97Å; R352-P357 HydrophobicContact CG-CB 4Å; R352-R400 PolarHBondContact O-NH1 3.49Å
353G98.6Very high98.7Very high5 Ų533.3 Ų33.35%0.05216%0.162CC..  trans-65.2144.5176.600000112.7I351 P401 R403 T404I351-G353 PolarHBondContact O-N 2.86Å; G353-P401 CarbonylContact C-O 3.57Å; G353-P401 WeakPolarHBondContact CA-O 3.05Å; G353-R403 VanDerWaalsContact CA-C 3.41Å; G353-R403 WeakPolarHBondContact CA-O 3.39Å; G353-T404 PolarHBondContact N-OG1 2.79Å
354A98Very high98.7Very high67 Ų6730.3 Ų30.355%0.55415%0.151SC*.SBendtrans-79-29.2-177.300000113.7R400 P401 R402A354-R400 HydrophobicContact CB-CB 4.17Å; A354-P401 PolarHBondContact N-O 3.37Å; A354-R402 PolarHBondContact N-O 2.92Å
355L97.3Very high98.7Very high115 Ų11530.4 Ų30.460%0.60215%0.152SC*.SBendtrans-121.6-41.6-172.1-73.2163.1000112.4P357 R402L355-P357 WeakPolarHBondContact O-CD 3.44Å; L355-R402 HydrophobicContact CB-CG 3.93Å; L355-R402 HydrophobicContact CD1-CG 4.03Å; L355-R402 PolarHBondContact N-O 3.07Å; L355-R402 VanDerWaalsContact N-O 3.09Å
356E98.6Very high98.7Very high7 Ų727.4 Ų27.43%0.03314%0.14CC..EExtended strand (participates in β ladder)trans-123.164.3179.4-62.5-173.1-123.100109.7D358 R359 R402 R403 R651E356-D358 PolarHBondContact O-N 3.42Å; E356-R359 HydrophobicContact CB-CB 4.25Å; E356-R359 HydrophobicContact CB-CG 4.13Å; E356-R359 PolarHBondContact O-N 2.99Å; E356-R359 WeakPolarHBondContact OE2-CG 3.2Å; E356-R402 PolarHBondContact N-O 3.22Å; E356-R402 IonicContact OE1-CZ 3.65Å; E356-R402 IonicContact OE1-NE 2.75Å; E356-R402 PolarHBondContact OE1-NE 3.41Å; E356-R402 IonicContact OE1-NH2 3.92Å; E356-R402 PolarHBondContact OE1-NH2 3.44Å; E356-R403 HydrophobicContact CB-CG 4.11Å; E356-R403 WeakPolarHBondContact O-CA 3.12Å; E356-R403 IonicContact OE1-CZ 3.05Å; E356-R403 IonicContact OE1-NE 3.58Å; E356-R403 IonicContact OE1-NH2 3.99Å; E356-R403 PolarHBondContact OE1-NH2 3.08Å; E356-R651 WeakPolarHBondContact OE2-CD 3.17Å; E356-R651 IonicContact OE2-CZ 3.66Å; E356-R651 IonicContact OE2-NE 3.54Å; E356-R651 IonicContact OE2-NH1 2.71Å; E356-R651 PolarHBondContact OE2-NH1 2.82Å
357P98.7Very high98.7Very high46 Ų4627.4 Ų27.430%0.29914%0.14SC..EExtended strand (participates in β ladder)trans-63.2-14-177.526.5-35.3000113.4R352 L355 Y360 T404R352-P357 HydrophobicContact CG-CB 4Å; L355-P357 WeakPolarHBondContact O-CD 3.44Å; P357-Y360 WeakPolarHBondContact O-CE1 3.15Å; P357-T404 WeakPolarHBondContact CA-OG1 3.08Å; P357-T404 PolarHBondContact O-OG1 3.08Å
358D98.8Very high98.7Very high51 Ų5127.4 Ų27.427%0.27314%0.14SC..EExtended strand (participates in β ladder)trans-9310.3177.874-41000113.6E356 R434 R651E356-D358 PolarHBondContact O-N 3.42Å; D358-R434 WeakPolarHBondContact O-CB 3.23Å; D358-R434 WeakPolarHBondContact O-CD 3.41Å; D358-R434 WeakPolarHBondContact O-CG 3.31Å; D358-R651 IonicContact OD1-CZ 3.98Å; D358-R651 IonicContact OD1-NH1 3.47Å; D358-R651 PolarHBondContact OD1-NH1 3.1Å; D358-R651 IonicContact OD1-NH2 3.19Å; D358-R651 IonicContact OD2-CZ 3.23Å; D358-R651 IonicContact OD2-NH1 3.56Å; D358-R651 IonicContact OD2-NH2 3.68Å; D358-R651 PolarHBondContact OD2-NH2 3.38Å
359R98.9Very high98.7Very high12 Ų1227.4 Ų27.45%0.04514%0.14CC..EExtended strand (participates in β ladder)trans-115.3131.5171-67.2-73.9175.1-95.214.4109.3E356 R403 T404 E433 R434 V436 R651 D655 M658E356-R359 HydrophobicContact CB-CB 4.25Å; E356-R359 HydrophobicContact CB-CG 4.13Å; E356-R359 PolarHBondContact O-N 2.99Å; E356-R359 WeakPolarHBondContact OE2-CG 3.2Å; R359-R403 HydrophobicContact CB-CB 4.11Å; R359-R403 HydrophobicContact CB-CG 3.93Å; R359-T404 WeakPolarHBondContact O-CB 3.3Å; R359-T404 PolarHBondContact O-N 2.98Å; R359-E433 PolarHBondContact NH1-O 2.94Å; R359-R434 CarbonylContact C-O 3.56Å; R359-R434 WeakPolarHBondContact CA-O 3.46Å; R359-V436 HydrophobicContact CB-CG2 3.98Å; R359-R651 VanDerWaalsContact NH1-NH2 3.15Å; R359-D655 IonicContact CZ-OD1 3.07Å; R359-D655 IonicContact NE-OD1 3.4Å; R359-D655 PolarHBondContact NE-OD1 3.39Å; R359-D655 VanDerWaalsContact NE-OD1 3.16Å; R359-D655 VanDerWaalsContact NH2-CG 3.29Å; R359-D655 IonicContact NH2-OD1 2.8Å; R359-D655 PolarHBondContact NH2-OD1 3.42Å; R359-D655 IonicContact NH2-OD2 3.65Å; R359-D655 PolarHBondContact NH2-OD2 3.12Å; R359-M658 VanDerWaalsContact CD-SD 3.51Å
360Y98.9Very high98.7Very high41 Ų4127.6 Ų27.616%0.16114%0.141CC..EExtended strand (participates in β ladder)trans-115124.1-170.6-52.1-34.4000111.7P357 T404 V406 R434 A435 V436P357-Y360 WeakPolarHBondContact O-CE1 3.15Å; Y360-T404 WeakPolarHBondContact CA-O 3.4Å; Y360-T404 HydrophobicContact CD1-CG2 3.82Å; Y360-T404 HydrophobicContact CE1-CG2 4.15Å; Y360-V406 HydrophobicContact CG-CG2 4.47Å; Y360-R434 HydrophobicContact CD2-CB 3.58Å; Y360-R434 HydrophobicContact CE2-CB 3.52Å; Y360-R434 HydrophobicContact CE2-CG 4.17Å; Y360-R434 HydrophobicContact CG-CB 4.24Å; Y360-R434 PolarHBondContact N-O 2.99Å; Y360-R434 WeakPolarHBondContact OH-CD 3.31Å; Y360-R434 PolarHBondContact OH-NH1 2.91Å; Y360-A435 CarbonylContact O-C 3.5Å; Y360-A435 WeakPolarHBondContact O-CA 3.22Å; Y360-V436 PolarHBondContact O-N 3.13Å
361V98.9Very high98.7Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-108121.9166.2179.50000107.5T404 V405 V406 V436 I573 L576 A577V361-T404 PolarHBondContact N-O 3.33Å; V361-V405 CarbonylContact O-C 3.58Å; V361-V405 WeakPolarHBondContact O-CA 3.46Å; V361-V406 PolarHBondContact O-N 3.43Å; V361-V436 HydrophobicContact CG2-CB 4.03Å; V361-V436 HydrophobicContact CG2-CG1 4.26Å; V361-I573 HydrophobicContact CG1-CB 3.95Å; V361-I573 HydrophobicContact CG1-CG2 4.13Å; V361-L576 HydrophobicContact CG1-CB 3.87Å; V361-L576 HydrophobicContact CG1-CD1 4.43Å; V361-L576 HydrophobicContact CG2-CB 3.86Å; V361-A577 HydrophobicContact CB-CB 4.22Å; V361-A577 HydrophobicContact CG2-CB 4.01Å
362I98.9Very high98.6Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-110.3128-168.9-50.5171.4000109.5V406 L431 A435 A437 Y438 I439 Y513I362-V406 CarbonylContact C-O 3.5Å; I362-V406 VanDerWaalsContact CA-O 3.3Å; I362-V406 WeakPolarHBondContact CA-O 3.21Å; I362-V406 HydrophobicContact CG1-CB 4.17Å; I362-V406 HydrophobicContact CG2-CB 4.4Å; I362-L431 HydrophobicContact CD1-CD2 3.76Å; I362-A435 HydrophobicContact CD1-CB 4.29Å; I362-A437 PolarHBondContact N-O 3.13Å; I362-Y438 HydrophobicContact CB-CD2 3.85Å; I362-Y438 HydrophobicContact CG2-CD2 3.63Å; I362-Y438 HydrophobicContact CG2-CE2 3.87Å; I362-I439 PolarHBondContact O-N 3.18Å; I362-Y513 HydrophobicContact CD1-CD1 4.3Å; I362-Y513 HydrophobicContact CD1-CE1 4.04Å
363L98.9Very high98.6Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans-109.4110.5164.8-175.959.4000108.2V384 T387 V406 F407 A408 I439 A441 R569 I573L363-V384 HydrophobicContact CD2-CG1 4.34Å; L363-V384 HydrophobicContact CD2-CG2 4.42Å; L363-V384 HydrophobicContact CG-CG2 4.32Å; L363-T387 HydrophobicContact CD2-CG2 3.76Å; L363-V406 PolarHBondContact N-O 2.86Å; L363-F407 HydrophobicContact CB-CD1 3.9Å; L363-F407 HydrophobicContact CB-CE1 4.26Å; L363-F407 HydrophobicContact CD2-CD1 3.93Å; L363-F407 HydrophobicContact CD2-CE1 3.89Å; L363-F407 HydrophobicContact CG-CD1 4.37Å; L363-F407 CarbonylContact O-C 3.48Å; L363-F407 WeakPolarHBondContact O-CA 3.43Å; L363-A408 PolarHBondContact O-N 3.25Å; L363-I439 WeakPolarHBondContact CA-O 3.25Å; L363-I439 HydrophobicContact CD1-CB 4.09Å; L363-I439 HydrophobicContact CD1-CG2 3.97Å; L363-A441 HydrophobicContact CD1-CB 3.91Å; L363-R569 HydrophobicContact CD1-CB 4.33Å; L363-I573 HydrophobicContact CB-CD1 4.39Å; L363-I573 HydrophobicContact CB-CG2 4.04Å; L363-I573 HydrophobicContact CD1-CG2 4.27Å; L363-I573 HydrophobicContact CD2-CD1 4.06Å
364G98.8Very high98.6Very high0 Ų016.8 Ų16.80%010%0.098CC..EExtended strand (participates in β ladder)trans-132.2138.8-175.200000112.8A408 Y438 I439 N440 A441G364-A408 WeakPolarHBondContact CA-O 3.44Å; G364-Y438 PolarHBondContact O-OH 2.95Å; G364-Y438 VanDerWaalsContact O-OH 3.11Å; G364-I439 PolarHBondContact N-O 3.08Å; G364-N440 CarbonylContact O-C 3.56Å; G364-N440 WeakPolarHBondContact O-CA 3.49Å; G364-A441 PolarHBondContact O-N 3.06Å
365G98.3Very high98.6Very high3 Ų313.6 Ų13.63%0.0317%0.072CC..EExtended strand (participates in β ladder)trans-155.9148.9170.700000110.4A408 S409 W410G365-A408 PolarHBondContact N-O 2.62Å; G365-A408 VanDerWaalsContact N-O 3.14Å; G365-S409 WeakPolarHBondContact O-CA 3.49Å; G365-W410 PolarHBondContact O-N 3.24Å
366H98.9Very high98.7Very high0 Ų08.7 Ų8.70%05%0.046CC..EExtended strand (participates in β ladder)trans-71.7161.9178.972.2114.6000113.6D368 D376 P377 W410 E413 D442 D509H366-D368 PolarHBondContact ND1-O 2.69Å; H366-D368 IonicContact ND1-OD1 2.89Å; H366-D376 IonicContact CE1-OD1 3.35Å; H366-D376 PolarHBondContact CE1-OD1 3.41Å; H366-D376 IonicContact NE2-OD1 2.71Å; H366-D376 PolarHBondContact NE2-OD1 3.24Å; H366-P377 WeakPolarHBondContact CE1-CB 3.34Å; H366-P377 WeakPolarHBondContact ND1-CG 3.38Å; H366-P377 VanDerWaalsContact O-CB 3.3Å; H366-P377 WeakPolarHBondContact O-CB 3.46Å; H366-P377 WeakPolarHBondContact O-CG 3.44Å; H366-W410 CarbonylContact C-O 3.58Å; H366-W410 WeakPolarHBondContact CA-O 3.16Å; H366-W410 HydrophobicContact CB-CB 4.1Å; H366-E413 HydrophobicContact CB-CB 3.28Å; H366-E413 HydrophobicContact CB-CG 3.84Å; H366-E413 IonicContact CE1-OE2 2.99Å; H366-E413 IonicContact ND1-OE2 3.73Å; H366-E413 IonicContact NE2-OE2 3.86Å; H366-D442 IonicContact NE2-OD1 3.37Å; H366-D442 PolarHBondContact NE2-OD1 3.05Å; H366-D509 IonicContact CD2-OD2 3.35Å; H366-D509 PolarHBondContact N-OD2 3.36Å
367R98.8Very high98.7Very high0 Ų08.3 Ų8.30%05%0.045CC..  trans-117.2-35.9-179.4176.5-170.569.1-107.4-1.1111.5H72 N79 I86 Y345 P377 S409 W410 D411H72-R367 PolarHBondContact CE1-O 3.01Å; H72-R367 PolarHBondContact ND1-O 2.67Å; N79-R367 PolarHBondContact ND2-NH2 3.21Å; N79-R367 VanDerWaalsContact ND2-NH2 3.12Å; N79-R367 PolarHBondContact O-NE 3.2Å; N79-R367 PolarHBondContact OD1-NE 2.73Å; I86-R367 HydrophobicContact CD1-CG 4.25Å; Y345-R367 PolarHBondContact O-NH1 3.49Å; Y345-R367 PolarHBondContact O-NH2 2.99Å; R367-P377 WeakPolarHBondContact O-CG 3.32Å; R367-S409 WeakPolarHBondContact CB-OG 3.4Å; R367-S409 PolarHBondContact NH1-OG 2.91Å; R367-S409 VanDerWaalsContact NH1-OG 3.11Å; R367-W410 PolarHBondContact N-O 2.79Å; R367-D411 IonicContact NH2-OD1 3.34Å; R367-D411 IonicContact NH2-OD2 2.79Å; R367-D411 PolarHBondContact NH2-OD2 3.03Å
368D98.9Very high98.7Very high0 Ų06.2 Ų6.20%03%0.031CC..  trans-63.7139.6-179.561.8-64.7000111.5A74 H366 P377 D411 A412 E413 E414A74-D368 HydrophobicContact CB-CB 3.79Å; H366-D368 PolarHBondContact ND1-O 2.69Å; H366-D368 IonicContact ND1-OD1 2.89Å; D368-P377 WeakPolarHBondContact O-CD 3.34Å; D368-P377 WeakPolarHBondContact O-CG 3.26Å; D368-D411 WeakPolarHBondContact OD1-CA 3.43Å; D368-A412 PolarHBondContact OD1-N 3.45Å; D368-A412 WeakPolarHBondContact OD2-CA 3.43Å; D368-A412 PolarHBondContact OD2-N 2.99Å; D368-E413 PolarHBondContact OD1-N 3.26Å; D368-E413 PolarHBondContact OD2-N 3.22Å; D368-E413 VanDerWaalsContact OD2-N 3.09Å; D368-E414 WeakPolarHBondContact OD2-CB 3.34Å; D368-E414 PolarHBondContact OD2-N 3.31Å; D368-E414 VanDerWaalsContact OD2-N 3.15Å
369A98.7Very high98.7Very high0 Ų03.8 Ų3.80%02%0.018CC..  trans-128.1157.5173.800000111.8H72 L73 V371H72-A369 WeakPolarHBondContact CE1-CB 3.48Å; H72-A369 PolarHBondContact ND1-N 3.37Å; H72-A369 PolarHBondContact O-N 3.41Å; L73-A369 WeakPolarHBondContact CA-O 3.19Å; L73-A369 PolarHBondContact N-O 3.46Å; A369-V371 VanDerWaalsContact C-N 3.31Å; A369-V371 PolarHBondContact O-N 3.14Å
370W98.8Very high98.7Very high4 Ų43.2 Ų3.22%0.0152%0.015CC..SBendtrans-58.1-41.2170.6-78.9107.2000114.2L73 V148 Y151 A153 R245 G246 E414 F415 H542L73-W370 HydrophobicContact CD1-CE3 3.79Å; L73-W370 HydrophobicContact CD1-CZ3 4.06Å; V148-W370 WeakPolarHBondContact CG1-O 3.29Å; Y151-W370 HydrophobicContact CD1-CZ3 4.44Å; Y151-W370 HydrophobicContact CE1-CE3 4.05Å; Y151-W370 AromaticContact CE1-CZ3 3.49Å; Y151-W370 HydrophobicContact CE1-CZ3 3.49Å; Y151-W370 VanDerWaalsContact CE1-CZ3 3.49Å; Y151-W370 AromaticContact CZ-CZ3 3.59Å; Y151-W370 WeakPolarHBondContact OH-CZ3 3.44Å; A153-W370 HydrophobicContact CB-CH2 3.66Å; A153-W370 HydrophobicContact CB-CZ3 4.37Å; R245-W370 HydrophobicContact CB-CB 4.14Å; R245-W370 HydrophobicContact CB-CD2 3.4Å; R245-W370 HydrophobicContact CB-CE3 3.64Å; R245-W370 HydrophobicContact CB-CG 3.59Å; R245-W370 HydrophobicContact CB-CZ3 4.36Å; R245-W370 HydrophobicContact CG-CD2 4.31Å; R245-W370 HydrophobicContact CG-CE3 4.15Å; R245-W370 HydrophobicContact CG-CG 4.48Å; G246-W370 VanDerWaalsContact C-CZ2 3.45Å; W370-E414 HydrophobicContact CZ2-CB 4.08Å; W370-E414 WeakPolarHBondContact CZ2-O 3.35Å; W370-E414 PolarHBondContact NE1-OE1 3.14Å; W370-E414 PolarHBondContact NE1-OE2 3.49Å; W370-F415 HydrophobicContact CH2-CE1 4.23Å; W370-F415 HydrophobicContact CH2-CE2 4.45Å; W370-F415 HydrophobicContact CH2-CZ 4.13Å; W370-F415 HydrophobicContact CZ3-CZ 4.09Å; W370-H542 AromaticContact CD1-CD2 3.6Å; W370-H542 AromaticContact CD1-CE1 3.48Å; W370-H542 VanDerWaalsContact CD1-CE1 3.48Å; W370-H542 AromaticContact CD1-CG 3.3Å; W370-H542 AromaticContact CD1-ND1 3.26Å; W370-H542 VanDerWaalsContact CD1-ND1 3.26Å; W370-H542 AromaticContact CD1-NE2 3.76Å; W370-H542 HydrophobicContact CG-CB 4.28Å; W370-H542 AromaticContact NE1-CE1 3.18Å; W370-H542 PolarHBondContact NE1-CE1 3.32Å; W370-H542 AromaticContact NE1-CG 3.71Å; W370-H542 AromaticContact NE1-ND1 3.12Å; W370-H542 PolarHBondContact NE1-ND1 2.75Å; W370-H542 VanDerWaalsContact NE1-ND1 3.12Å; W370-H542 AromaticContact NE1-NE2 3.86Å
371V98.7Very high98.7Very high3 Ų31.8 Ų1.82%0.0181%0.012CC..SBendtrans-134.9-108.9176.3-166.80000108.7P71 H72 I147 A369 V544P71-V371 WeakPolarHBondContact CA-O 3.47Å; P71-V371 HydrophobicContact CB-CG1 4.23Å; P71-V371 HydrophobicContact CG-CG1 4.09Å; H72-V371 PolarHBondContact N-O 3.19Å; I147-V371 HydrophobicContact CG1-CG1 4.33Å; I147-V371 HydrophobicContact CG2-CG1 4.05Å; A369-V371 VanDerWaalsContact C-N 3.31Å; A369-V371 PolarHBondContact O-N 3.14Å; V371-V544 HydrophobicContact CG1-CG2 4.17Å
372F98.6Very high98.7Very high1 Ų11.8 Ų1.80%0.0041%0.012CC..  trans-88.2-29.4-178.3-50.9-73.5000112.9T68 P71 H72 Y141 V144 I147 V544 E546 T547T68-F372 WeakPolarHBondContact O-CD1 3.34Å; P71-F372 HydrophobicContact CG-CD1 4.12Å; P71-F372 HydrophobicContact CG-CE1 3.71Å; P71-F372 HydrophobicContact CG-CZ 4.27Å; H72-F372 PolarHBondContact NE2-O 3Å; Y141-F372 AromaticContact CD1-CD1 3.96Å; Y141-F372 HydrophobicContact CD1-CD1 3.96Å; Y141-F372 HydrophobicContact CD1-CD2 4.42Å; Y141-F372 AromaticContact CD1-CE1 3.28Å; Y141-F372 HydrophobicContact CD1-CE1 3.28Å; Y141-F372 AromaticContact CD1-CE2 3.83Å; Y141-F372 HydrophobicContact CD1-CE2 3.83Å; Y141-F372 HydrophobicContact CD1-CG 4.49Å; Y141-F372 AromaticContact CD1-CZ 3.22Å; Y141-F372 HydrophobicContact CD1-CZ 3.22Å; Y141-F372 AromaticContact CE1-CD1 3.78Å; Y141-F372 HydrophobicContact CE1-CD1 3.78Å; Y141-F372 HydrophobicContact CE1-CD2 4.32Å; Y141-F372 AromaticContact CE1-CE1 3.61Å; Y141-F372 HydrophobicContact CE1-CE1 3.61Å; Y141-F372 HydrophobicContact CE1-CE2 4.18Å; Y141-F372 HydrophobicContact CE1-CG 4.14Å; Y141-F372 AromaticContact CE1-CZ 3.84Å; Y141-F372 HydrophobicContact CE1-CZ 3.84Å; Y141-F372 HydrophobicContact CG-CE1 4.26Å; Y141-F372 HydrophobicContact CG-CE2 4.14Å; Y141-F372 AromaticContact CG-CZ 3.75Å; Y141-F372 HydrophobicContact CG-CZ 3.75Å; V144-F372 HydrophobicContact CG1-CE1 4.13Å; V144-F372 HydrophobicContact CG1-CZ 4.35Å; V144-F372 HydrophobicContact CG2-CE1 4.39Å; I147-F372 HydrophobicContact CD1-CE2 4.43Å; I147-F372 HydrophobicContact CD1-CZ 3.95Å; I147-F372 HydrophobicContact CG1-CZ 4.2Å; F372-V544 WeakPolarHBondContact CD2-O 3.44Å; F372-V544 HydrophobicContact CE2-CG2 3.98Å; F372-E546 WeakPolarHBondContact CB-O 3.17Å; F372-T547 HydrophobicContact CD2-CG2 4.22Å
373G98.2Very high98.7Very high3 Ų31.8 Ų1.83%0.0311%0.012CC..  trans66.538.2173.300000115I375 D376 M378 E546G373-I375 CarbonylContact O-C 3.55Å; G373-I375 PolarHBondContact O-N 3.35Å; G373-D376 CarbonylContact C-O 3.59Å; G373-D376 WeakPolarHBondContact CA-O 3.39Å; G373-D376 CarbonylContact O-C 3.45Å; G373-M378 WeakPolarHBondContact O-CA 3.46Å; G373-M378 WeakPolarHBondContact O-CB 3.33Å; G373-M378 WeakPolarHBondContact O-CG 3.34Å; G373-M378 PolarHBondContact O-N 2.93Å; G373-E546 PolarHBondContact N-O 3.26Å
374G98.4Very high98.7Very high0 Ų02 Ų20%01%0.014CC..THydrogen-bonded Turntrans-51.2-38.8-178.400000113.8L64 E546 V551L64-G374 WeakPolarHBondContact CD1-O 3.3Å; G374-E546 PolarHBondContact N-O 3.32Å; G374-V551 WeakPolarHBondContact O-CG2 3.26Å
375I98.8Very high98.7Very high0 Ų02.2 Ų2.20%01%0.014CC..THydrogen-bonded Turntrans-95.8-62.6169.3-64.7169.6000108.8G373 P377 M378 S379 I445 Y538 E546 I550 V551 Y555G373-I375 CarbonylContact O-C 3.55Å; G373-I375 PolarHBondContact O-N 3.35Å; I375-P377 CarbonylContact O-C 3.49Å; I375-P377 VanDerWaalsContact O-C 3.24Å; I375-M378 PolarHBondContact O-N 3.39Å; I375-S379 WeakPolarHBondContact O-CB 3.19Å; I375-S379 PolarHBondContact O-N 2.97Å; I375-S379 PolarHBondContact O-OG 3.35Å; I375-I445 WeakPolarHBondContact CG2-O 3.47Å; I375-Y538 HydrophobicContact CB-CE2 4.06Å; I375-Y538 HydrophobicContact CD1-CD2 3.76Å; I375-Y538 HydrophobicContact CD1-CE2 3.72Å; I375-Y538 HydrophobicContact CD1-CG 4.33Å; I375-Y538 HydrophobicContact CG1-CE2 4.48Å; I375-Y538 HydrophobicContact CG2-CE1 3.81Å; I375-Y538 HydrophobicContact CG2-CE2 4.13Å; I375-E546 WeakPolarHBondContact CB-OE2 3.5Å; I375-E546 PolarHBondContact N-OE2 3.43Å; I375-I550 HydrophobicContact CD1-CG2 4.39Å; I375-I550 HydrophobicContact CG1-CG2 4.48Å; I375-V551 HydrophobicContact CG1-CG2 3.73Å; I375-Y555 HydrophobicContact CD1-CD1 4.35Å; I375-Y555 HydrophobicContact CD1-CD2 4.2Å; I375-Y555 HydrophobicContact CD1-CE1 3.96Å; I375-Y555 HydrophobicContact CD1-CE2 3.83Å; I375-Y555 HydrophobicContact CD1-CG 4.45Å
376D98.8Very high98.7Very high11 Ų112 Ų26%0.0591%0.013CC..THydrogen-bonded Turntrans-100.8110.5-175-172.7-2.7000112.1H366 G373 S443 Y538 Y541 H542 E546H366-D376 IonicContact CE1-OD1 3.35Å; H366-D376 PolarHBondContact CE1-OD1 3.41Å; H366-D376 IonicContact NE2-OD1 2.71Å; H366-D376 PolarHBondContact NE2-OD1 3.24Å; G373-D376 CarbonylContact C-O 3.59Å; G373-D376 WeakPolarHBondContact CA-O 3.39Å; G373-D376 CarbonylContact O-C 3.45Å; D376-S443 WeakPolarHBondContact CA-OG 3.4Å; D376-S443 WeakPolarHBondContact CB-OG 3.29Å; D376-Y538 WeakPolarHBondContact CB-OH 3.18Å; D376-Y541 WeakPolarHBondContact OD2-CE2 3.32Å; D376-H542 IonicContact OD2-CD2 2.62Å; D376-H542 IonicContact OD2-NE2 3.14Å; D376-H542 PolarHBondContact OD2-NE2 2.85Å; D376-E546 PolarHBondContact N-OE2 3.41Å
377P98.6Very high98.7Very high0 Ų02 Ų20%01%0.013CC..THydrogen-bonded Turncis-101.30.7-2.935.4-32.1000114.5H366 R367 D368 I375 S379 G380 A381H366-P377 WeakPolarHBondContact CE1-CB 3.34Å; H366-P377 WeakPolarHBondContact ND1-CG 3.38Å; H366-P377 VanDerWaalsContact O-CB 3.3Å; H366-P377 WeakPolarHBondContact O-CB 3.46Å; H366-P377 WeakPolarHBondContact O-CG 3.44Å; R367-P377 WeakPolarHBondContact O-CG 3.32Å; D368-P377 WeakPolarHBondContact O-CD 3.34Å; D368-P377 WeakPolarHBondContact O-CG 3.26Å; I375-P377 CarbonylContact O-C 3.49Å; I375-P377 VanDerWaalsContact O-C 3.24Å; P377-S379 PolarHBondContact O-N 3.03Å; P377-G380 WeakPolarHBondContact O-CA 3.24Å; P377-G380 PolarHBondContact O-N 3.44Å; P377-A381 PolarHBondContact O-N 3.01Å
378M98.8Very high98.7Very high1 Ų12 Ų21%0.0051%0.013CC..Hα-helixtrans-66.4-24.3-158.4-65.1-52.1-39.900113.9L64 F67 T68 H72 G373 I375 G380 A381 A382L64-M378 HydrophobicContact CD1-CB 3.6Å; L64-M378 WeakPolarHBondContact CD1-O 3.4Å; F67-M378 HydrophobicContact CB-CE 3.1Å; F67-M378 HydrophobicContact CB-SD 4.1Å; F67-M378 HydrophobicContact CD2-CE 3.88Å; F67-M378 HydrophobicContact CG-CE 3.72Å; T68-M378 HydrophobicContact CG2-CB 3.6Å; T68-M378 HydrophobicContact CG2-CG 3.85Å; H72-M378 PolarHBondContact CE1-SD 3.1Å; H72-M378 WeakPolarHBondContact NE2-CG 3.36Å; G373-M378 WeakPolarHBondContact O-CA 3.46Å; G373-M378 WeakPolarHBondContact O-CB 3.33Å; G373-M378 WeakPolarHBondContact O-CG 3.34Å; G373-M378 PolarHBondContact O-N 2.93Å; I375-M378 PolarHBondContact O-N 3.39Å; M378-G380 VanDerWaalsContact C-N 3.27Å; M378-G380 PolarHBondContact O-N 3.34Å; M378-A381 HydrophobicContact CE-CB 3.65Å; M378-A381 PolarHBondContact O-N 2.79Å; M378-A381 HydrophobicContact SD-CB 4.32Å; M378-A382 WeakPolarHBondContact O-CB 3.32Å; M378-A382 PolarHBondContact O-N 2.62Å
379S98.8Very high98.7Very high0 Ų03.1 Ų3.10%02%0.017CC..Hα-helixtrans-61.5-36.8170.5700000112.3I375 P377 V383 S443 A444I375-S379 WeakPolarHBondContact O-CB 3.19Å; I375-S379 PolarHBondContact O-N 2.97Å; I375-S379 PolarHBondContact O-OG 3.35Å; P377-S379 PolarHBondContact O-N 3.03Å; S379-V383 WeakPolarHBondContact O-CG2 3.3Å; S379-V383 PolarHBondContact O-N 2.87Å; S379-S443 WeakPolarHBondContact OG-CA 3.44Å; S379-A444 WeakPolarHBondContact O-CB 3.5Å; S379-A444 PolarHBondContact OG-N 2.64Å
380G98.8Very high98.7Very high0 Ų03.1 Ų3.10%02%0.017CC..Hα-helixtrans-75.3-47.317500000113P377 M378 A382 V383 V384 A441 D442P377-G380 WeakPolarHBondContact O-CA 3.24Å; P377-G380 PolarHBondContact O-N 3.44Å; M378-G380 VanDerWaalsContact C-N 3.27Å; M378-G380 PolarHBondContact O-N 3.34Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 2.84Å; G380-V383 WeakPolarHBondContact O-CA 3.19Å; G380-V383 WeakPolarHBondContact O-CB 3.2Å; G380-V383 PolarHBondContact O-N 2.61Å; G380-V384 PolarHBondContact O-N 3.17Å; G380-A441 CarbonylContact C-O 3.57Å; G380-A441 VanDerWaalsContact CA-O 3.29Å; G380-A441 WeakPolarHBondContact CA-O 3.32Å; G380-D442 VanDerWaalsContact CA-O 3.27Å; G380-D442 WeakPolarHBondContact CA-O 3.44Å
381A98.8Very high98.7Very high11 Ų113 Ų39%0.0912%0.017CC..Hα-helixtrans-63.9-35.3178.700000112.6P377 M378 V383 V384 H385P377-A381 PolarHBondContact O-N 3.01Å; M378-A381 HydrophobicContact CE-CB 3.65Å; M378-A381 PolarHBondContact O-N 2.79Å; M378-A381 HydrophobicContact SD-CB 4.32Å; A381-V383 VanDerWaalsContact C-N 3.32Å; A381-V383 PolarHBondContact O-N 3.14Å; A381-V384 PolarHBondContact O-N 3.03Å; A381-H385 WeakPolarHBondContact O-CB 3.26Å; A381-H385 PolarHBondContact O-N 3.11Å
382A98.9Very high98.7Very high0 Ų03 Ų30%02%0.017CC..Hα-helixtrans-61.1-40.2170.900000112.3I60 H63 L64 M378 G380 H385 E386I60-A382 HydrophobicContact CG2-CB 4.22Å; H63-A382 HydrophobicContact CB-CB 3.89Å; L64-A382 HydrophobicContact CB-CB 4.03Å; M378-A382 WeakPolarHBondContact O-CB 3.32Å; M378-A382 PolarHBondContact O-N 2.62Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 2.84Å; A382-H385 PolarHBondContact O-N 3.44Å; A382-E386 PolarHBondContact O-N 2.73Å
383V98.6Very high98.7Very high0 Ų07.2 Ų7.20%04%0.035CC..Hα-helixtrans-65.2-43.2174.6160.80000111.8I60 S379 G380 A381 H385 E386 T387 A444 L562 A566I60-V383 HydrophobicContact CG2-CG2 4.31Å; S379-V383 WeakPolarHBondContact O-CG2 3.3Å; S379-V383 PolarHBondContact O-N 2.87Å; G380-V383 WeakPolarHBondContact O-CA 3.19Å; G380-V383 WeakPolarHBondContact O-CB 3.2Å; G380-V383 PolarHBondContact O-N 2.61Å; A381-V383 VanDerWaalsContact C-N 3.32Å; A381-V383 PolarHBondContact O-N 3.14Å; V383-H385 VanDerWaalsContact C-N 3.33Å; V383-E386 PolarHBondContact O-N 3.24Å; V383-T387 WeakPolarHBondContact O-CB 3.47Å; V383-T387 PolarHBondContact O-N 2.97Å; V383-T387 PolarHBondContact O-OG1 3.3Å; V383-A444 HydrophobicContact CG2-CB 4Å; V383-L562 HydrophobicContact CG2-CB 4.3Å; V383-A566 HydrophobicContact CB-CB 4.31Å; V383-A566 VanDerWaalsContact CG1-CA 3.41Å; V383-A566 HydrophobicContact CG1-CB 3.56Å; V383-A566 HydrophobicContact CG2-CB 4.16Å
384V98.9Very high98.6Very high6 Ų67.1 Ų7.14%0.0363%0.034CC..Hα-helixtrans-60.2-46.7174.2176.20000110.2W90 L363 G380 A381 E386 T387 V388 A441W90-V384 HydrophobicContact CH2-CG1 4.45Å; W90-V384 HydrophobicContact CZ2-CG1 3.94Å; L363-V384 HydrophobicContact CD2-CG1 4.34Å; L363-V384 HydrophobicContact CD2-CG2 4.42Å; L363-V384 HydrophobicContact CG-CG2 4.32Å; G380-V384 PolarHBondContact O-N 3.17Å; A381-V384 PolarHBondContact O-N 3.03Å; V384-E386 VanDerWaalsContact C-N 3.34Å; V384-E386 PolarHBondContact O-N 2.71Å; V384-T387 WeakPolarHBondContact O-CB 2.77Å; V384-T387 PolarHBondContact O-N 3.12Å; V384-T387 VanDerWaalsContact O-N 3.1Å; V384-V388 HydrophobicContact CG1-CG2 4.23Å; V384-V388 VanDerWaalsContact O-CG2 3.23Å; V384-V388 WeakPolarHBondContact O-CG2 3.23Å; V384-V388 PolarHBondContact O-N 2.85Å; V384-A441 HydrophobicContact CG2-CB 3.25Å
385H98.9Very high98.6Very high3 Ų38.3 Ų8.31%0.0144%0.04CC..Hα-helixtrans-59.7-43.6-178-159.189.3000112H63 E89 W90 F93 A381 A382 V383 V388 R389H63-H385 AromaticContact CD2-CD2 3.91Å; H63-H385 AromaticContact CE1-CD2 3.55Å; H63-H385 AromaticContact CG-CD2 3.85Å; H63-H385 AromaticContact ND1-CD2 3.6Å; H63-H385 AromaticContact NE2-CD2 3.74Å; E89-H385 IonicContact OE2-CE1 3.34Å; E89-H385 PolarHBondContact OE2-CE1 3.47Å; E89-H385 IonicContact OE2-NE2 3.85Å; E89-H385 PolarHBondContact OE2-NE2 3.36Å; E89-H385 VanDerWaalsContact OE2-NE2 3.14Å; W90-H385 AromaticContact CD1-CE1 3.95Å; W90-H385 AromaticContact CD1-ND1 3.92Å; W90-H385 AromaticContact NE1-CE1 3.94Å; W90-H385 AromaticContact NE1-ND1 3.44Å; W90-H385 PolarHBondContact NE1-ND1 3.25Å; F93-H385 AromaticContact CE2-CD2 3.7Å; F93-H385 AromaticContact CE2-CE1 3.92Å; F93-H385 AromaticContact CE2-NE2 3.31Å; F93-H385 VanDerWaalsContact CE2-NE2 3.31Å; F93-H385 WeakPolarHBondContact CE2-NE2 3.29Å; F93-H385 AromaticContact CZ-CD2 3.89Å; F93-H385 AromaticContact CZ-NE2 3.38Å; F93-H385 WeakPolarHBondContact CZ-NE2 3.29Å; A381-H385 WeakPolarHBondContact O-CB 3.26Å; A381-H385 PolarHBondContact O-N 3.11Å; A382-H385 PolarHBondContact O-N 3.44Å; V383-H385 VanDerWaalsContact C-N 3.33Å; H385-V388 PolarHBondContact O-N 2.81Å; H385-R389 PolarHBondContact O-N 3.27Å
386E98.8Very high98.4Very high0 Ų015.2 Ų15.20%07%0.07CC..Hα-helixtrans-67.5-36.4174.5-178.862.4-177.200112.9M55 R56 L59 I60 H63 A382 V383 V384 V388 R389 S390M55-E386 WeakPolarHBondContact CA-OE1 3.42Å; M55-E386 HydrophobicContact CB-CG 4.24Å; M55-E386 HydrophobicContact CG-CG 4.42Å; R56-E386 PolarHBondContact N-OE1 2.85Å; L59-E386 WeakPolarHBondContact CB-OE2 3.17Å; I60-E386 HydrophobicContact CD1-CG 4.3Å; I60-E386 HydrophobicContact CG1-CB 3.79Å; I60-E386 HydrophobicContact CG1-CG 3.77Å; H63-E386 IonicContact CD2-OE2 3.4Å; H63-E386 IonicContact NE2-OE2 2.74Å; H63-E386 PolarHBondContact NE2-OE2 2.86Å; A382-E386 PolarHBondContact O-N 2.73Å; V383-E386 PolarHBondContact O-N 3.24Å; V384-E386 VanDerWaalsContact C-N 3.34Å; V384-E386 PolarHBondContact O-N 2.71Å; E386-V388 VanDerWaalsContact C-N 3.35Å; E386-V388 PolarHBondContact O-N 3.32Å; E386-R389 PolarHBondContact O-N 2.87Å; E386-R389 IonicContact OE1-CZ 3.25Å; E386-R389 IonicContact OE1-NE 2.72Å; E386-R389 PolarHBondContact OE1-NE 3.04Å; E386-R389 IonicContact OE1-NH2 3.52Å; E386-R389 PolarHBondContact OE1-NH2 3.4Å; E386-R389 WeakPolarHBondContact OE2-CD 2.78Å; E386-R389 IonicContact OE2-CZ 2.8Å; E386-R389 IonicContact OE2-NE 3.58Å; E386-R389 PolarHBondContact OE2-NE 2.98Å; E386-R389 IonicContact OE2-NH2 3.14Å; E386-S390 PolarHBondContact O-N 2.89Å
387T98.8Very high98.2Very high0 Ų020.9 Ų20.90%09%0.091CC..Hα-helixtrans-62.2-43.7175.8-56.90000111.1F51 M55 L363 V383 V384 S390 A391 F407 I573F51-T387 HydrophobicContact CE2-CG2 4.46Å; F51-T387 HydrophobicContact CZ-CG2 3.72Å; M55-T387 HydrophobicContact CE-CG2 4.06Å; L363-T387 HydrophobicContact CD2-CG2 3.76Å; V383-T387 WeakPolarHBondContact O-CB 3.47Å; V383-T387 PolarHBondContact O-N 2.97Å; V383-T387 PolarHBondContact O-OG1 3.3Å; V384-T387 WeakPolarHBondContact O-CB 2.77Å; V384-T387 PolarHBondContact O-N 3.12Å; V384-T387 VanDerWaalsContact O-N 3.1Å; T387-S390 PolarHBondContact O-N 3.39Å; T387-A391 PolarHBondContact O-N 3.1Å; T387-F407 HydrophobicContact CG2-CE1 4.36Å; T387-I573 HydrophobicContact CG2-CD1 4.03Å
388V98.9Very high97.9Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-63.3-43.8176.2179.60000110.6W90 F93 L95 V384 H385 E386 S390 A391 G392 F407W90-V388 HydrophobicContact CB-CG1 4.41Å; W90-V388 HydrophobicContact CD2-CG1 4.23Å; W90-V388 HydrophobicContact CD2-CG2 4.35Å; W90-V388 HydrophobicContact CG-CG1 3.87Å; W90-V388 HydrophobicContact CZ2-CG2 3.95Å; F93-V388 HydrophobicContact CD2-CB 4.4Å; F93-V388 HydrophobicContact CD2-CG1 3.99Å; L95-V388 HydrophobicContact CD1-CG1 3.8Å; L95-V388 HydrophobicContact CD2-CG1 3.94Å; L95-V388 HydrophobicContact CG-CG1 3.93Å; V384-V388 HydrophobicContact CG1-CG2 4.23Å; V384-V388 VanDerWaalsContact O-CG2 3.23Å; V384-V388 WeakPolarHBondContact O-CG2 3.23Å; V384-V388 PolarHBondContact O-N 2.85Å; H385-V388 PolarHBondContact O-N 2.81Å; E386-V388 VanDerWaalsContact C-N 3.35Å; E386-V388 PolarHBondContact O-N 3.32Å; V388-S390 PolarHBondContact O-N 3.25Å; V388-A391 PolarHBondContact O-N 3.38Å; V388-G392 PolarHBondContact O-N 2.91Å; V388-F407 HydrophobicContact CG2-CB 4.03Å; V388-F407 HydrophobicContact CG2-CD1 3.43Å; V388-F407 VanDerWaalsContact CG2-CD1 3.43Å; V388-F407 HydrophobicContact CG2-CD2 4.05Å; V388-F407 HydrophobicContact CG2-CE1 3.79Å; V388-F407 HydrophobicContact CG2-CE2 4.35Å; V388-F407 HydrophobicContact CG2-CG 3.57Å; V388-F407 HydrophobicContact CG2-CZ 4.23Å
389R98.8Very high97.8Very high23 Ų2324.3 Ų24.39%0.08712%0.123CC..Hα-helixtrans-60-45.6176.6-169.6-157.76674.2-2.7111.8E54 F93 H385 E386 G392 K393E54-R389 PolarHBondContact O-NH2 3.42Å; E54-R389 IonicContact OE1-CZ 3.59Å; E54-R389 IonicContact OE1-NH1 3.85Å; E54-R389 PolarHBondContact OE1-NH1 3.06Å; E54-R389 IonicContact OE1-NH2 3.35Å; E54-R389 PolarHBondContact OE1-NH2 3.29Å; F93-R389 HydrophobicContact CD1-CB 4.3Å; F93-R389 HydrophobicContact CD1-CG 3.89Å; F93-R389 HydrophobicContact CD2-CB 3.86Å; F93-R389 HydrophobicContact CD2-CG 4.36Å; F93-R389 HydrophobicContact CE1-CB 4.18Å; F93-R389 HydrophobicContact CE1-CG 3.73Å; F93-R389 HydrophobicContact CE2-CB 3.71Å; F93-R389 HydrophobicContact CE2-CG 4.2Å; F93-R389 HydrophobicContact CG-CB 4.16Å; F93-R389 HydrophobicContact CG-CG 4.22Å; F93-R389 HydrophobicContact CZ-CB 3.89Å; F93-R389 HydrophobicContact CZ-CG 3.89Å; H385-R389 PolarHBondContact O-N 3.27Å; E386-R389 PolarHBondContact O-N 2.87Å; E386-R389 IonicContact OE1-CZ 3.25Å; E386-R389 IonicContact OE1-NE 2.72Å; E386-R389 PolarHBondContact OE1-NE 3.04Å; E386-R389 IonicContact OE1-NH2 3.52Å; E386-R389 PolarHBondContact OE1-NH2 3.4Å; E386-R389 WeakPolarHBondContact OE2-CD 2.78Å; E386-R389 IonicContact OE2-CZ 2.8Å; E386-R389 IonicContact OE2-NE 3.58Å; E386-R389 PolarHBondContact OE2-NE 2.98Å; E386-R389 IonicContact OE2-NH2 3.14Å; R389-G392 PolarHBondContact O-N 2.85Å; R389-K393 WeakPolarHBondContact O-CG 3.31Å; R389-K393 PolarHBondContact O-N 2.98Å
390S98.8Very high97.7Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-60.3-46.1176.3-1800000111.4F51 E386 T387 V388 G392 K393 L394F51-S390 WeakPolarHBondContact CD2-OG 3.26Å; F51-S390 PolarHBondContact O-OG 2.92Å; E386-S390 PolarHBondContact O-N 2.89Å; T387-S390 PolarHBondContact O-N 3.39Å; V388-S390 PolarHBondContact O-N 3.25Å; S390-G392 VanDerWaalsContact C-N 3.3Å; S390-G392 PolarHBondContact O-N 3.3Å; S390-K393 WeakPolarHBondContact O-CB 3.17Å; S390-K393 PolarHBondContact O-N 2.71Å; S390-K393 VanDerWaalsContact O-N 3.08Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 2.99Å; S390-L394 VanDerWaalsContact O-N 3.13Å
391A98.5Very high97.7Very high2 Ų229.3 Ų29.32%0.01714%0.142CC..Hα-helixtrans-59.2-42.2175.600000111.6F51 I351 T387 V388 K393 L394 L395 W399 F407F51-A391 HydrophobicContact CE2-CB 3.93Å; I351-A391 HydrophobicContact CD1-CB 3.77Å; T387-A391 PolarHBondContact O-N 3.1Å; V388-A391 PolarHBondContact O-N 3.38Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3.03Å; A391-L394 PolarHBondContact O-N 3.42Å; A391-L395 WeakPolarHBondContact O-CG 3.17Å; A391-L395 PolarHBondContact O-N 2.82Å; A391-W399 HydrophobicContact CB-CZ3 4.36Å; A391-F407 HydrophobicContact CB-CZ 4.22Å
392G98.3Very high97.7Very high1 Ų130.4 Ų30.41%0.0114%0.144CC..Hα-helixtrans-59.2-37.8174.300000114F93 V388 R389 S390 L395 K396F93-G392 WeakPolarHBondContact O-CA 3.35Å; V388-G392 PolarHBondContact O-N 2.91Å; R389-G392 PolarHBondContact O-N 2.85Å; S390-G392 VanDerWaalsContact C-N 3.3Å; S390-G392 PolarHBondContact O-N 3.3Å; G392-L395 PolarHBondContact O-N 3.49Å; G392-K396 WeakPolarHBondContact O-CG 3.47Å; G392-K396 PolarHBondContact O-N 3.48Å
393K98.1Very high97.7Very high91 Ų9130.5 Ų30.540%0.39614%0.144SC..Hα-helixtrans-65.1-40.8174.1-70.2-73.4-170.5175.10112E54 R389 S390 A391 K396 R397E54-K393 HydrophobicContact CG-CB 4.08Å; E54-K393 HydrophobicContact CG-CG 4.09Å; R389-K393 WeakPolarHBondContact O-CG 3.31Å; R389-K393 PolarHBondContact O-N 2.98Å; S390-K393 WeakPolarHBondContact O-CB 3.17Å; S390-K393 PolarHBondContact O-N 2.71Å; S390-K393 VanDerWaalsContact O-N 3.08Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3.03Å; K393-K396 PolarHBondContact O-N 3.18Å; K393-R397 PolarHBondContact O-N 3.11Å
394L97.3Very high97.7Very high0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-67.1-40.7176.4-92.875.3000112.4Y47 F51 S390 A391 K396 R397 G398 W399 F574Y47-L394 HydrophobicContact CD1-CD2 4.21Å; Y47-L394 WeakPolarHBondContact O-CD2 3.48Å; F51-L394 HydrophobicContact CB-CD1 4.08Å; F51-L394 HydrophobicContact CB-CD2 3.67Å; F51-L394 HydrophobicContact CD2-CD1 4.29Å; F51-L394 HydrophobicContact CD2-CD2 4.32Å; F51-L394 HydrophobicContact CG-CD2 4.39Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 2.99Å; S390-L394 VanDerWaalsContact O-N 3.13Å; A391-L394 PolarHBondContact O-N 3.42Å; L394-K396 VanDerWaalsContact C-N 3.26Å; L394-K396 PolarHBondContact O-N 2.73Å; L394-R397 CarbonylContact O-C 3.49Å; L394-R397 WeakPolarHBondContact O-CA 3.25Å; L394-R397 WeakPolarHBondContact O-CB 3.19Å; L394-R397 PolarHBondContact O-N 2.96Å; L394-G398 PolarHBondContact O-N 3.25Å; L394-W399 HydrophobicContact CB-CB 4.04Å; L394-W399 HydrophobicContact CB-CD2 4.08Å; L394-W399 HydrophobicContact CB-CE3 3.61Å; L394-W399 HydrophobicContact CB-CG 4.3Å; L394-W399 HydrophobicContact CB-CZ3 4.36Å; L394-W399 HydrophobicContact CD2-CB 4.44Å; L394-W399 HydrophobicContact CD2-CD2 4.05Å; L394-W399 HydrophobicContact CD2-CE3 4.2Å; L394-W399 HydrophobicContact CD2-CG 4.16Å; L394-W399 PolarHBondContact O-N 3.29Å; L394-F574 HydrophobicContact CD2-CE2 4.04Å
395L96.9Very high97.7Very high25 Ų2530.8 Ų30.813%0.13115%0.146CC..Hα-helixtrans-54.8-43.3174.1-72.2174.7000111.6G94 I351 A391 G392 R397 G398 W399 R400G94-L395 WeakPolarHBondContact O-CD1 3.33Å; I351-L395 HydrophobicContact CD1-CD1 3.8Å; I351-L395 HydrophobicContact CD1-CG 4.34Å; I351-L395 HydrophobicContact CG1-CD1 3.98Å; I351-L395 HydrophobicContact CG2-CD1 4.18Å; I351-L395 HydrophobicContact CG2-CD2 3.7Å; I351-L395 HydrophobicContact CG2-CG 4.48Å; A391-L395 WeakPolarHBondContact O-CG 3.17Å; A391-L395 PolarHBondContact O-N 2.82Å; G392-L395 PolarHBondContact O-N 3.49Å; L395-R397 PolarHBondContact O-N 2.85Å; L395-G398 PolarHBondContact O-N 2.96Å; L395-W399 HydrophobicContact CD2-CE3 4.24Å; L395-W399 HydrophobicContact CD2-CZ3 4.46Å; L395-W399 WeakPolarHBondContact CD2-O 3.41Å; L395-W399 HydrophobicContact CG-CE3 4.43Å; L395-R400 HydrophobicContact CD2-CG 3.92Å
396K95.3Very high97.7Very high146 Ų14630.8 Ų30.864%0.63515%0.146SC*.Hα-helixtrans-65.3-20.7176.8-68.3175.6-173.5-179.30113.3G392 K393 L394G392-K396 WeakPolarHBondContact O-CG 3.47Å; G392-K396 PolarHBondContact O-N 3.48Å; K393-K396 PolarHBondContact O-N 3.18Å; L394-K396 VanDerWaalsContact C-N 3.26Å; L394-K396 PolarHBondContact O-N 2.73Å
397R94.1Very high97.7Very high130 Ų13030.9 Ų30.949%0.49115%0.147SC..THydrogen-bonded Turntrans-93.27.6174.2-63.3-179.5-173.8165.29.4113.2E50 E54 K393 L394 L395E50-R397 IonicContact OE2-NH1 3.65Å; E50-R397 PolarHBondContact OE2-NH1 2.65Å; E54-R397 IonicContact OE2-NH2 2.95Å; K393-R397 PolarHBondContact O-N 3.11Å; L394-R397 CarbonylContact O-C 3.49Å; L394-R397 WeakPolarHBondContact O-CA 3.25Å; L394-R397 WeakPolarHBondContact O-CB 3.19Å; L394-R397 PolarHBondContact O-N 2.96Å; L395-R397 PolarHBondContact O-N 2.85Å
398G93.1Very high97.7Very high62 Ų6230.9 Ų30.964%0.63915%0.147SC*.THydrogen-bonded Turntrans87.34.5175.700000115.2L394 L395L394-G398 PolarHBondContact O-N 3.25Å; L395-G398 PolarHBondContact O-N 2.96Å
399W96.1Very high97.7Very high11 Ų1131.1 Ų31.14%0.04215%0.148CC..  trans-68.4142.4167.9171.276.2000109.8Y47 I351 A391 L394 L395 P401 F574Y47-W399 HydrophobicContact CD1-CB 3.91Å; Y47-W399 HydrophobicContact CD1-CG 4.29Å; Y47-W399 HydrophobicContact CD2-CB 4.44Å; Y47-W399 AromaticContact CD2-CD1 3.65Å; Y47-W399 HydrophobicContact CD2-CG 4.38Å; Y47-W399 HydrophobicContact CE1-CB 3.79Å; Y47-W399 HydrophobicContact CE2-CB 4.31Å; Y47-W399 HydrophobicContact CG-CB 4.25Å; Y47-W399 AromaticContact CG-CD1 3.72Å; Y47-W399 HydrophobicContact CG-CG 4.2Å; I351-W399 HydrophobicContact CD1-CZ3 4.41Å; A391-W399 HydrophobicContact CB-CZ3 4.36Å; L394-W399 HydrophobicContact CB-CB 4.04Å; L394-W399 HydrophobicContact CB-CD2 4.08Å; L394-W399 HydrophobicContact CB-CE3 3.61Å; L394-W399 HydrophobicContact CB-CG 4.3Å; L394-W399 HydrophobicContact CB-CZ3 4.36Å; L394-W399 HydrophobicContact CD2-CB 4.44Å; L394-W399 HydrophobicContact CD2-CD2 4.05Å; L394-W399 HydrophobicContact CD2-CE3 4.2Å; L394-W399 HydrophobicContact CD2-CG 4.16Å; L394-W399 PolarHBondContact O-N 3.29Å; L395-W399 HydrophobicContact CD2-CE3 4.24Å; L395-W399 HydrophobicContact CD2-CZ3 4.46Å; L395-W399 WeakPolarHBondContact CD2-O 3.41Å; L395-W399 HydrophobicContact CG-CE3 4.43Å; W399-P401 HydrophobicContact CH2-CB 4.01Å; W399-P401 HydrophobicContact CH2-CG 4.13Å; W399-P401 HydrophobicContact CZ2-CB 3.73Å; W399-P401 HydrophobicContact CZ2-CG 4.28Å; W399-F574 HydrophobicContact CD2-CE2 4.4Å; W399-F574 AromaticContact CE2-CE2 3.54Å; W399-F574 HydrophobicContact CH2-CD2 4.29Å; W399-F574 HydrophobicContact CH2-CE2 4.26Å; W399-F574 AromaticContact CZ2-CD2 3.77Å; W399-F574 HydrophobicContact CZ2-CD2 3.77Å; W399-F574 AromaticContact CZ2-CE2 3.46Å; W399-F574 HydrophobicContact CZ2-CE2 3.46Å; W399-F574 VanDerWaalsContact CZ2-CE2 3.46Å; W399-F574 HydrophobicContact CZ2-CZ 4.22Å; W399-F574 AromaticContact NE1-CE2 3.66Å; W399-F574 AromaticContact NE1-CZ 3.69Å
400R97.2Very high97.7Very high105 Ų10530 Ų3040%0.39614%0.144SC..  trans-142.8138.3162-83.1-161.2168.8-92.1-6.2109.4D96 R352 A354 L395D96-R400 IonicContact OD1-CZ 2.71Å; D96-R400 IonicContact OD1-NH1 3.85Å; D96-R400 PolarHBondContact OD1-NH1 3.37Å; D96-R400 IonicContact OD1-NH2 2.87Å; D96-R400 PolarHBondContact OD1-NH2 2.81Å; D96-R400 IonicContact OD2-CZ 3.66Å; D96-R400 IonicContact OD2-NH1 3.81Å; D96-R400 PolarHBondContact OD2-NH1 3.23Å; D96-R400 IonicContact OD2-NH2 3.29Å; R352-R400 PolarHBondContact O-NH1 3.49Å; A354-R400 HydrophobicContact CB-CB 4.17Å; L395-R400 HydrophobicContact CD2-CG 3.92Å
401P98.2Very high97.7Very high0 Ų030.1 Ų30.10%015%0.145CC..  trans-66.7149.3-179.529.1-35000110.9I351 G353 A354 W399 R403 V405 A577 D578I351-P401 HydrophobicContact CB-CG 4.41Å; I351-P401 HydrophobicContact CG2-CG 3.71Å; G353-P401 CarbonylContact C-O 3.57Å; G353-P401 WeakPolarHBondContact CA-O 3.05Å; A354-P401 PolarHBondContact N-O 3.37Å; W399-P401 HydrophobicContact CH2-CB 4.01Å; W399-P401 HydrophobicContact CH2-CG 4.13Å; W399-P401 HydrophobicContact CZ2-CB 3.73Å; W399-P401 HydrophobicContact CZ2-CG 4.28Å; P401-R403 VanDerWaalsContact C-N 3.33Å; P401-R403 VanDerWaalsContact CB-O 3.29Å; P401-R403 WeakPolarHBondContact CB-O 3.38Å; P401-R403 VanDerWaalsContact CG-O 3.27Å; P401-R403 WeakPolarHBondContact CG-O 3.41Å; P401-R403 PolarHBondContact O-N 2.88Å; P401-V405 HydrophobicContact CB-CG2 4.15Å; P401-V405 HydrophobicContact CG-CG2 4.04Å; P401-A577 HydrophobicContact CB-CB 4.06Å; P401-D578 WeakPolarHBondContact CA-OD1 3.47Å
402R98.4Very high97.7Very high34 Ų3430 Ų3013%0.12814%0.144CC..SBendtrans-56.6-47.1172177.5-177.2177.186.56111.6A354 L355 E356 A577 D578A354-R402 PolarHBondContact N-O 2.92Å; L355-R402 HydrophobicContact CB-CG 3.93Å; L355-R402 HydrophobicContact CD1-CG 4.03Å; L355-R402 PolarHBondContact N-O 3.07Å; L355-R402 VanDerWaalsContact N-O 3.09Å; E356-R402 PolarHBondContact N-O 3.22Å; E356-R402 IonicContact OE1-CZ 3.65Å; E356-R402 IonicContact OE1-NE 2.75Å; E356-R402 PolarHBondContact OE1-NE 3.41Å; E356-R402 IonicContact OE1-NH2 3.92Å; E356-R402 PolarHBondContact OE1-NH2 3.44Å; R402-A577 WeakPolarHBondContact CB-O 3.4Å; R402-A577 PolarHBondContact N-O 3.23Å; R402-D578 PolarHBondContact N-OD1 2.9Å
403R98.8Very high97.7Very high1 Ų130.7 Ų30.70%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-103.7162.2179.9-55.7-176179.67810.8111.1G353 E356 R359 P401 L576 A577 S579 Q580 N654G353-R403 VanDerWaalsContact CA-C 3.41Å; G353-R403 WeakPolarHBondContact CA-O 3.39Å; E356-R403 HydrophobicContact CB-CG 4.11Å; E356-R403 WeakPolarHBondContact O-CA 3.12Å; E356-R403 IonicContact OE1-CZ 3.05Å; E356-R403 IonicContact OE1-NE 3.58Å; E356-R403 IonicContact OE1-NH2 3.99Å; E356-R403 PolarHBondContact OE1-NH2 3.08Å; R359-R403 HydrophobicContact CB-CB 4.11Å; R359-R403 HydrophobicContact CB-CG 3.93Å; P401-R403 VanDerWaalsContact C-N 3.33Å; P401-R403 VanDerWaalsContact CB-O 3.29Å; P401-R403 WeakPolarHBondContact CB-O 3.38Å; P401-R403 VanDerWaalsContact CG-O 3.27Å; P401-R403 WeakPolarHBondContact CG-O 3.41Å; P401-R403 PolarHBondContact O-N 2.88Å; R403-L576 PolarHBondContact NH1-O 2.97Å; R403-A577 WeakPolarHBondContact CB-O 3.45Å; R403-A577 PolarHBondContact N-O 3.15Å; R403-S579 PolarHBondContact NH1-O 3.28Å; R403-S579 PolarHBondContact NH2-O 2.86Å; R403-Q580 PolarHBondContact NH2-O 2.82Å; R403-N654 PolarHBondContact NH2-ND2 3.34Å
404T98.9Very high97.8Very high8 Ų826.6 Ų26.65%0.04913%0.129CC..EExtended strand (participates in β ladder)trans-72.6130.8176-69.60000110.2I351 G353 P357 R359 Y360 V361 V406I351-T404 CarbonylContact O-C 3.43Å; I351-T404 VanDerWaalsContact O-CA 3.27Å; I351-T404 WeakPolarHBondContact O-CA 3.37Å; I351-T404 WeakPolarHBondContact O-CG2 3.43Å; G353-T404 PolarHBondContact N-OG1 2.79Å; P357-T404 WeakPolarHBondContact CA-OG1 3.08Å; P357-T404 PolarHBondContact O-OG1 3.08Å; R359-T404 WeakPolarHBondContact O-CB 3.3Å; R359-T404 PolarHBondContact O-N 2.98Å; Y360-T404 WeakPolarHBondContact CA-O 3.4Å; Y360-T404 HydrophobicContact CD1-CG2 3.82Å; Y360-T404 HydrophobicContact CE1-CG2 4.15Å; V361-T404 PolarHBondContact N-O 3.33Å; T404-V406 HydrophobicContact CG2-CG2 4.13Å
405V98.9Very high97.8Very high4 Ų426.6 Ų26.62%0.02413%0.129CC..EExtended strand (participates in β ladder)trans-98.5130.2171.2-178.20000108.6K350 I351 V361 P401 F407 I573 A577K350-V405 WeakPolarHBondContact CA-O 3.27Å; I351-V405 HydrophobicContact CB-CB 4.32Å; I351-V405 PolarHBondContact N-O 3.28Å; I351-V405 PolarHBondContact O-N 3.25Å; V361-V405 CarbonylContact O-C 3.58Å; V361-V405 WeakPolarHBondContact O-CA 3.46Å; P401-V405 HydrophobicContact CB-CG2 4.15Å; P401-V405 HydrophobicContact CG-CG2 4.04Å; V405-F407 HydrophobicContact CB-CE2 4.42Å; V405-F407 HydrophobicContact CG1-CD2 4.24Å; V405-F407 HydrophobicContact CG1-CE1 4.05Å; V405-F407 HydrophobicContact CG1-CE2 3.66Å; V405-F407 HydrophobicContact CG1-CZ 3.55Å; V405-I573 HydrophobicContact CG1-CD1 4.06Å; V405-A577 HydrophobicContact CG2-CB 3.49Å; V405-A577 VanDerWaalsContact CG2-CB 3.49Å
406V98.9Very high97.9Very high4 Ų425.8 Ų25.82%0.02413%0.127CC..EExtended strand (participates in β ladder)trans-114.2124.9176.3-175.40000108.3I348 G349 K350 Y360 V361 I362 L363 T404 W423I348-V406 HydrophobicContact CG2-CG1 3.89Å; G349-V406 CarbonylContact O-C 3.53Å; G349-V406 WeakPolarHBondContact O-CA 3.24Å; K350-V406 HydrophobicContact CG-CG1 4.43Å; K350-V406 HydrophobicContact CG-CG2 4.35Å; Y360-V406 HydrophobicContact CG-CG2 4.47Å; V361-V406 PolarHBondContact O-N 3.43Å; I362-V406 CarbonylContact C-O 3.5Å; I362-V406 VanDerWaalsContact CA-O 3.3Å; I362-V406 WeakPolarHBondContact CA-O 3.21Å; I362-V406 HydrophobicContact CG1-CB 4.17Å; I362-V406 HydrophobicContact CG2-CB 4.4Å; L363-V406 PolarHBondContact N-O 2.86Å; T404-V406 HydrophobicContact CG2-CG2 4.13Å; V406-W423 HydrophobicContact CG1-CH2 4.5Å
407F98.9Very high98Very high1 Ų119.4 Ų19.40%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-103.4136.3171.5-60.3-80.2000108.9W90 L95 I348 G349 I351 L363 T387 V388 A391 V405 I573W90-F407 HydrophobicContact CE3-CB 4.36Å; W90-F407 HydrophobicContact CH2-CB 3.77Å; W90-F407 HydrophobicContact CZ2-CB 4.38Å; W90-F407 HydrophobicContact CZ3-CB 3.75Å; L95-F407 HydrophobicContact CD1-CD2 3.93Å; L95-F407 HydrophobicContact CD2-CD2 4.15Å; L95-F407 HydrophobicContact CD2-CE2 4.02Å; I348-F407 WeakPolarHBondContact CA-O 3.33Å; G349-F407 PolarHBondContact N-O 3.19Å; G349-F407 PolarHBondContact O-N 3.44Å; I351-F407 HydrophobicContact CD1-CE2 3.78Å; I351-F407 HydrophobicContact CD1-CZ 4.37Å; I351-F407 HydrophobicContact CG1-CE2 4.05Å; L363-F407 HydrophobicContact CB-CD1 3.9Å; L363-F407 HydrophobicContact CB-CE1 4.26Å; L363-F407 HydrophobicContact CD2-CD1 3.93Å; L363-F407 HydrophobicContact CD2-CE1 3.89Å; L363-F407 HydrophobicContact CG-CD1 4.37Å; L363-F407 CarbonylContact O-C 3.48Å; L363-F407 WeakPolarHBondContact O-CA 3.43Å; T387-F407 HydrophobicContact CG2-CE1 4.36Å; V388-F407 HydrophobicContact CG2-CB 4.03Å; V388-F407 HydrophobicContact CG2-CD1 3.43Å; V388-F407 VanDerWaalsContact CG2-CD1 3.43Å; V388-F407 HydrophobicContact CG2-CD2 4.05Å; V388-F407 HydrophobicContact CG2-CE1 3.79Å; V388-F407 HydrophobicContact CG2-CE2 4.35Å; V388-F407 HydrophobicContact CG2-CG 3.57Å; V388-F407 HydrophobicContact CG2-CZ 4.23Å; A391-F407 HydrophobicContact CB-CZ 4.22Å; V405-F407 HydrophobicContact CB-CE2 4.42Å; V405-F407 HydrophobicContact CG1-CD2 4.24Å; V405-F407 HydrophobicContact CG1-CE1 4.05Å; V405-F407 HydrophobicContact CG1-CE2 3.66Å; V405-F407 HydrophobicContact CG1-CZ 3.55Å; F407-I573 HydrophobicContact CE1-CD1 3.66Å; F407-I573 HydrophobicContact CZ-CD1 4.01Å
408A98.9Very high98.2Very high0 Ų013.2 Ų13.20%08%0.076CC..EExtended strand (participates in β ladder)trans-133.8130.7-179.800000112V347 I348 L363 G364 G365 W410V347-A408 WeakPolarHBondContact O-CA 3.39Å; I348-A408 HydrophobicContact CD1-CB 3.85Å; L363-A408 PolarHBondContact O-N 3.25Å; G364-A408 WeakPolarHBondContact CA-O 3.44Å; G365-A408 PolarHBondContact N-O 2.62Å; G365-A408 VanDerWaalsContact N-O 3.14Å; A408-W410 HydrophobicContact CB-CD2 3.9Å; A408-W410 HydrophobicContact CB-CE3 4.12Å; A408-W410 HydrophobicContact CB-CH2 3.35Å; A408-W410 HydrophobicContact CB-CZ2 3.1Å; A408-W410 HydrophobicContact CB-CZ3 3.87Å
409S98.9Very high98.5Very high5 Ų510.2 Ų10.24%0.0355%0.046CC..EExtended strand (participates in β ladder)trans-107103.4166.2176.60000107.7N346 V347 G365 R367N346-S409 CarbonylContact C-O 3.41Å; N346-S409 WeakPolarHBondContact CA-O 3.27Å; V347-S409 PolarHBondContact N-O 3.07Å; V347-S409 PolarHBondContact O-N 2.5Å; G365-S409 WeakPolarHBondContact O-CA 3.49Å; R367-S409 WeakPolarHBondContact CB-OG 3.4Å; R367-S409 PolarHBondContact NH1-OG 2.91Å; R367-S409 VanDerWaalsContact NH1-OG 3.11Å
410W98.9Very high98.6Very high0 Ų09.7 Ų9.70%04%0.044CC..EExtended strand (participates in β ladder)trans-79.9153.7-177-51.6123.8000111.8N346 I348 G365 H366 R367 A408 W423 Y438 D509 Y513N346-W410 HydrophobicContact CB-CE3 4.04Å; N346-W410 HydrophobicContact CB-CZ3 4.27Å; I348-W410 HydrophobicContact CD1-CE3 4.37Å; I348-W410 HydrophobicContact CD1-CH2 3.81Å; I348-W410 HydrophobicContact CD1-CZ3 3.52Å; G365-W410 PolarHBondContact O-N 3.24Å; H366-W410 CarbonylContact C-O 3.58Å; H366-W410 WeakPolarHBondContact CA-O 3.16Å; H366-W410 HydrophobicContact CB-CB 4.1Å; R367-W410 PolarHBondContact N-O 2.79Å; A408-W410 HydrophobicContact CB-CD2 3.9Å; A408-W410 HydrophobicContact CB-CE3 4.12Å; A408-W410 HydrophobicContact CB-CH2 3.35Å; A408-W410 HydrophobicContact CB-CZ2 3.1Å; A408-W410 HydrophobicContact CB-CZ3 3.87Å; W410-W423 HydrophobicContact CH2-CB 4.25Å; W410-W423 AromaticContact CH2-CD2 3.71Å; W410-W423 HydrophobicContact CH2-CD2 3.71Å; W410-W423 AromaticContact CH2-CE3 3.54Å; W410-W423 HydrophobicContact CH2-CE3 3.54Å; W410-W423 HydrophobicContact CH2-CG 4.04Å; W410-W423 HydrophobicContact CH2-CZ3 4.04Å; W410-W423 HydrophobicContact CZ2-CE3 4.49Å; W410-W423 HydrophobicContact CZ3-CB 3.7Å; W410-W423 AromaticContact CZ3-CD2 3.91Å; W410-W423 HydrophobicContact CZ3-CD2 3.91Å; W410-W423 HydrophobicContact CZ3-CE3 4.16Å; W410-W423 AromaticContact CZ3-CG 3.72Å; W410-W423 HydrophobicContact CZ3-CG 3.72Å; W410-Y438 HydrophobicContact CZ2-CE2 4.21Å; W410-Y438 AromaticContact NE1-CE2 3.99Å; W410-Y438 AromaticContact NE1-CZ 3.9Å; W410-Y438 PolarHBondContact NE1-OH 2.99Å; W410-D509 VanDerWaalsContact CD1-OD2 3.31Å; W410-D509 HydrophobicContact CG-CB 4.4Å; W410-Y513 WeakPolarHBondContact CH2-OH 3.44Å; W410-Y513 HydrophobicContact CZ2-CE2 4.31Å; W410-Y513 AromaticContact CZ2-CZ 3.83Å; W410-Y513 WeakPolarHBondContact CZ2-OH 3.3Å
411D98.9Very high98.7Very high2 Ų24.8 Ų4.81%0.0113%0.025CC..SBendtrans-121159.3174.8-164.6-0.4000110.1A74 N79 I344 Y345 N346 R367 D368 E413 G419A74-D411 WeakPolarHBondContact CB-OD1 3.24Å; N79-D411 PolarHBondContact ND2-OD1 3.11Å; N79-D411 PolarHBondContact ND2-OD2 3.24Å; I344-D411 WeakPolarHBondContact CA-OD2 3.49Å; I344-D411 HydrophobicContact CB-CB 4.08Å; I344-D411 WeakPolarHBondContact CB-OD2 3.46Å; I344-D411 HydrophobicContact CD1-CB 4.5Å; Y345-D411 PolarHBondContact N-OD2 3.27Å; Y345-D411 WeakPolarHBondContact O-CB 3.39Å; N346-D411 PolarHBondContact OD1-N 3.08Å; R367-D411 IonicContact NH2-OD1 3.34Å; R367-D411 IonicContact NH2-OD2 2.79Å; R367-D411 PolarHBondContact NH2-OD2 3.03Å; D368-D411 WeakPolarHBondContact OD1-CA 3.43Å; D411-E413 PolarHBondContact O-N 2.84Å; D411-G419 WeakPolarHBondContact O-CA 3.19Å; D411-G419 PolarHBondContact O-N 2.94Å
412A98.8Very high98.7Very high0 Ų04.8 Ų4.80%03%0.025CC..  trans50.835.7-177.500000115.5A74 I105 L107 I344 D368 E414 F415 L418A74-A412 HydrophobicContact CB-CB 3.81Å; I105-A412 HydrophobicContact CD1-CB 3.52Å; L107-A412 HydrophobicContact CD2-CB 4.04Å; I344-A412 HydrophobicContact CD1-CB 4.06Å; I344-A412 HydrophobicContact CG2-CB 3.95Å; D368-A412 PolarHBondContact OD1-N 3.45Å; D368-A412 WeakPolarHBondContact OD2-CA 3.43Å; D368-A412 PolarHBondContact OD2-N 2.99Å; A412-E414 VanDerWaalsContact C-N 3.32Å; A412-F415 HydrophobicContact CB-CB 4.23Å; A412-F415 PolarHBondContact O-N 3.33Å; A412-L418 HydrophobicContact CB-CB 3.92Å; A412-L418 HydrophobicContact CB-CD1 4.36Å; A412-L418 HydrophobicContact CB-CG 4.46Å; A412-L418 WeakPolarHBondContact O-CB 3.39Å; A412-L418 PolarHBondContact O-N 2.71Å
413E98.8Very high98.8Very high15 Ų153.8 Ų3.87%0.072%0.021CC..SBendtrans-64.5-43170.2-170-76.6168.800110.4H366 D368 D411 F415 G416 L417 S508 D509H366-E413 HydrophobicContact CB-CB 3.28Å; H366-E413 HydrophobicContact CB-CG 3.84Å; H366-E413 IonicContact CE1-OE2 2.99Å; H366-E413 IonicContact ND1-OE2 3.73Å; H366-E413 IonicContact NE2-OE2 3.86Å; D368-E413 PolarHBondContact OD1-N 3.26Å; D368-E413 PolarHBondContact OD2-N 3.22Å; D368-E413 VanDerWaalsContact OD2-N 3.09Å; D411-E413 PolarHBondContact O-N 2.84Å; E413-F415 PolarHBondContact O-N 3.44Å; E413-G416 PolarHBondContact O-N 3.26Å; E413-L417 HydrophobicContact CG-CD2 3.63Å; E413-L417 PolarHBondContact O-N 2.93Å; E413-L417 WeakPolarHBondContact OE1-CD2 3.41Å; E413-S508 WeakPolarHBondContact OE1-CA 3Å; E413-D509 WeakPolarHBondContact CG-OD1 3.46Å
414E98.7Very high98.8Very high5 Ų53.9 Ų3.92%0.0232%0.022CC..THydrogen-bonded Turntrans-64.9-17.4-175.2-72.9-78.1-143.200112.5N247 D368 W370 A412 H542N247-E414 WeakPolarHBondContact CB-O 3.26Å; N247-E414 PolarHBondContact ND2-O 3.18Å; D368-E414 WeakPolarHBondContact OD2-CB 3.34Å; D368-E414 PolarHBondContact OD2-N 3.31Å; D368-E414 VanDerWaalsContact OD2-N 3.15Å; W370-E414 HydrophobicContact CZ2-CB 4.08Å; W370-E414 WeakPolarHBondContact CZ2-O 3.35Å; W370-E414 PolarHBondContact NE1-OE1 3.14Å; W370-E414 PolarHBondContact NE1-OE2 3.49Å; A412-E414 VanDerWaalsContact C-N 3.32Å; E414-H542 IonicContact OE1-CD2 3.03Å; E414-H542 IonicContact OE1-CE1 2.69Å; E414-H542 IonicContact OE1-NE2 2.79Å; E414-H542 PolarHBondContact OE1-NE2 3.48Å; E414-H542 IonicContact OE2-CE1 3.15Å; E414-H542 PolarHBondContact OE2-CE1 2.96Å; E414-H542 IonicContact OE2-ND1 2.64Å; E414-H542 IonicContact OE2-NE2 3.81Å; E414-H542 PolarHBondContact OE2-NE2 3.48Å
415F98.7Very high98.7Very high0 Ų04.3 Ų4.30%02%0.024CC..THydrogen-bonded Turntrans-96.13.9178.7-75.8-87.3000114.1L73 A74 L107 S108 Y109 Y151 A153 Y154 L249 W370 A412 E413 L418L73-F415 HydrophobicContact CD1-CE2 3.63Å; L73-F415 HydrophobicContact CD1-CZ 3.86Å; L73-F415 HydrophobicContact CD2-CZ 4.46Å; L73-F415 HydrophobicContact CG-CE2 4.08Å; L73-F415 HydrophobicContact CG-CZ 4.18Å; A74-F415 HydrophobicContact CB-CD2 3.62Å; A74-F415 HydrophobicContact CB-CE2 3.68Å; L107-F415 HydrophobicContact CD2-CB 3.64Å; L107-F415 HydrophobicContact CD2-CD1 3.72Å; L107-F415 HydrophobicContact CD2-CD2 3.96Å; L107-F415 HydrophobicContact CD2-CE1 4.35Å; L107-F415 HydrophobicContact CD2-CG 3.48Å; L107-F415 VanDerWaalsContact CD2-CG 3.48Å; S108-F415 VanDerWaalsContact O-CE1 3.25Å; S108-F415 WeakPolarHBondContact O-CE1 3.33Å; Y109-F415 HydrophobicContact CE1-CZ 4.27Å; Y151-F415 WeakPolarHBondContact OH-CZ 3.39Å; A153-F415 HydrophobicContact CB-CD1 4.09Å; A153-F415 HydrophobicContact CB-CE1 3.82Å; Y154-F415 HydrophobicContact CE2-CB 4.34Å; Y154-F415 AromaticContact CE2-CD1 3.86Å; Y154-F415 HydrophobicContact CE2-CD1 3.86Å; Y154-F415 WeakPolarHBondContact CE2-O 3.27Å; Y154-F415 AromaticContact CZ-CD1 3.93Å; Y154-F415 WeakPolarHBondContact OH-CB 3.45Å; Y154-F415 PolarHBondContact OH-O 3.38Å; L249-F415 WeakPolarHBondContact CD1-O 3.29Å; W370-F415 HydrophobicContact CH2-CE1 4.23Å; W370-F415 HydrophobicContact CH2-CE2 4.45Å; W370-F415 HydrophobicContact CH2-CZ 4.13Å; W370-F415 HydrophobicContact CZ3-CZ 4.09Å; A412-F415 HydrophobicContact CB-CB 4.23Å; A412-F415 PolarHBondContact O-N 3.33Å; E413-F415 PolarHBondContact O-N 3.44Å; F415-L418 HydrophobicContact CB-CD1 3.78Å; F415-L418 HydrophobicContact CB-CG 4.34Å
416G97.3Very high98.7Very high8 Ų87 Ų78%0.0824%0.038CC..THydrogen-bonded Turntrans125.534.6174.600000114.9L251 E413 L418L251-G416 WeakPolarHBondContact CD1-O 3.45Å; E413-G416 PolarHBondContact O-N 3.26Å; G416-L418 VanDerWaalsContact C-N 3.26Å; G416-L418 WeakPolarHBondContact O-CD2 3.26Å; G416-L418 PolarHBondContact O-N 3.22Å
417L98.4Very high98.7Very high12 Ų128.5 Ų8.56%0.0635%0.046CC..SBendtrans63.332-178.7-40.5-178.6000112.3E413 S420 T421 S508 E511E413-L417 HydrophobicContact CG-CD2 3.63Å; E413-L417 PolarHBondContact O-N 2.93Å; E413-L417 WeakPolarHBondContact OE1-CD2 3.41Å; L417-S420 PolarHBondContact O-OG 2.99Å; L417-S420 VanDerWaalsContact O-OG 3.14Å; L417-T421 WeakPolarHBondContact O-CB 3.35Å; L417-T421 PolarHBondContact O-N 3.49Å; L417-T421 PolarHBondContact O-OG1 2.61Å; L417-S508 WeakPolarHBondContact CD1-O 3.49Å; L417-E511 HydrophobicContact CD1-CB 3.54Å; L417-E511 HydrophobicContact CD1-CG 4.23Å; L417-E511 WeakPolarHBondContact CD1-OE2 3.49Å
418L98.8Very high98.7Very high0 Ų09.6 Ų9.60%06%0.055CC..Hα-helixtrans-70.7-54.5-161.5-56.3-175.9000111.3I105 L107 Y154 L251 G255 A412 F415 G416 S420 T421 E422I105-L418 HydrophobicContact CD1-CB 3.71Å; I105-L418 HydrophobicContact CD1-CD1 3.39Å; I105-L418 HydrophobicContact CD1-CG 4.18Å; L107-L418 HydrophobicContact CD2-CD1 4.14Å; Y154-L418 WeakPolarHBondContact OH-CD1 3.36Å; L251-L418 HydrophobicContact CD1-CD2 4.05Å; G255-L418 WeakPolarHBondContact O-CD2 3.5Å; A412-L418 HydrophobicContact CB-CB 3.92Å; A412-L418 HydrophobicContact CB-CD1 4.36Å; A412-L418 HydrophobicContact CB-CG 4.46Å; A412-L418 WeakPolarHBondContact O-CB 3.39Å; A412-L418 PolarHBondContact O-N 2.71Å; F415-L418 HydrophobicContact CB-CD1 3.78Å; F415-L418 HydrophobicContact CB-CG 4.34Å; G416-L418 VanDerWaalsContact C-N 3.26Å; G416-L418 WeakPolarHBondContact O-CD2 3.26Å; G416-L418 PolarHBondContact O-N 3.22Å; L418-S420 VanDerWaalsContact C-N 3.35Å; L418-S420 PolarHBondContact O-N 2.96Å; L418-T421 PolarHBondContact O-N 3.3Å; L418-E422 WeakPolarHBondContact O-CB 3.48Å; L418-E422 VanDerWaalsContact O-CG 3.25Å; L418-E422 WeakPolarHBondContact O-CG 3.46Å; L418-E422 PolarHBondContact O-N 2.79Å
419G98.8Very high98.6Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-60.5-40.9-177.500000113.8N346 D411 W423N346-G419 PolarHBondContact ND2-O 3.12Å; D411-G419 WeakPolarHBondContact O-CA 3.19Å; D411-G419 PolarHBondContact O-N 2.94Å; G419-W423 WeakPolarHBondContact O-CB 3.44Å; G419-W423 PolarHBondContact O-N 3.27Å; G419-W423 VanDerWaalsContact O-N 3.16Å
420S98.9Very high98.6Very high0 Ų023.1 Ų23.10%011%0.11CC..Hα-helixtrans-68.8-39.7177.256.10000112.5L417 L418 A424 D509L417-S420 PolarHBondContact O-OG 2.99Å; L417-S420 VanDerWaalsContact O-OG 3.14Å; L418-S420 VanDerWaalsContact C-N 3.35Å; L418-S420 PolarHBondContact O-N 2.96Å; S420-A424 WeakPolarHBondContact O-CB 3.42Å; S420-A424 PolarHBondContact O-N 3.41Å; S420-D509 WeakPolarHBondContact CB-OD1 3.15Å; S420-D509 WeakPolarHBondContact OG-CB 3.48Å; S420-D509 PolarHBondContact OG-OD1 2.88Å
421T98.9Very high98.6Very high1 Ų123.2 Ų23.21%0.00611%0.11CC..Hα-helixtrans-68.6-47178-56.50000111.6L417 L418 W423 A424 E425 A512L417-T421 WeakPolarHBondContact O-CB 3.35Å; L417-T421 PolarHBondContact O-N 3.49Å; L417-T421 PolarHBondContact O-OG1 2.61Å; L418-T421 PolarHBondContact O-N 3.3Å; T421-W423 VanDerWaalsContact C-N 3.27Å; T421-W423 PolarHBondContact O-N 3.48Å; T421-A424 CarbonylContact O-C 3.59Å; T421-A424 WeakPolarHBondContact O-CA 3.39Å; T421-A424 WeakPolarHBondContact O-CB 3.37Å; T421-A424 PolarHBondContact O-N 3.02Å; T421-E425 HydrophobicContact CG2-CG 4.49Å; T421-E425 WeakPolarHBondContact O-CG 3.32Å; T421-E425 PolarHBondContact O-N 3.24Å; T421-A512 HydrophobicContact CG2-CB 4.17Å
422E98.9Very high98.5Very high0 Ų025.9 Ų25.90%012%0.123CC..Hα-helixtrans-59.6-39177.9-67.4-48.4121.100111.6Y103 I105 D256 T259 P263 A264 L418 E425 D426Y103-E422 HydrophobicContact CD1-CB 3.78Å; Y103-E422 HydrophobicContact CD1-CG 4.44Å; Y103-E422 HydrophobicContact CD2-CB 3.91Å; Y103-E422 HydrophobicContact CE1-CB 3.94Å; Y103-E422 HydrophobicContact CE2-CB 4.07Å; Y103-E422 HydrophobicContact CG-CB 3.78Å; Y103-E422 HydrophobicContact CG-CG 4.31Å; I105-E422 HydrophobicContact CG2-CG 3.94Å; D256-E422 VanDerWaalsContact CB-OE1 3.27Å; D256-E422 WeakPolarHBondContact CB-OE1 3.45Å; D256-E422 PolarHBondContact N-OE1 3.37Å; T259-E422 PolarHBondContact OG1-OE2 2.96Å; P263-E422 WeakPolarHBondContact CA-OE2 3.31Å; A264-E422 HydrophobicContact CB-CG 4.38Å; A264-E422 WeakPolarHBondContact CB-OE2 3.36Å; A264-E422 PolarHBondContact N-OE2 3.46Å; L418-E422 WeakPolarHBondContact O-CB 3.48Å; L418-E422 VanDerWaalsContact O-CG 3.25Å; L418-E422 WeakPolarHBondContact O-CG 3.46Å; L418-E422 PolarHBondContact O-N 2.79Å; E422-E425 PolarHBondContact O-N 2.86Å; E422-D426 WeakPolarHBondContact O-CB 3.36Å; E422-D426 PolarHBondContact O-N 3.21Å
423W98.9Very high98.4Very high14 Ų1430.7 Ų30.75%0.05315%0.145CC..Hα-helixtrans-70-36.2175.4-168.790000113.1Y103 I348 V406 W410 G419 T421 E425 D426 N427 L431 Y513Y103-W423 HydrophobicContact CE2-CB 4.22Å; Y103-W423 WeakPolarHBondContact OH-CA 3.22Å; I348-W423 HydrophobicContact CD1-CD2 4.48Å; I348-W423 HydrophobicContact CD1-CZ2 4.46Å; I348-W423 HydrophobicContact CG2-CZ2 4.2Å; V406-W423 HydrophobicContact CG1-CH2 4.5Å; W410-W423 HydrophobicContact CH2-CB 4.25Å; W410-W423 AromaticContact CH2-CD2 3.71Å; W410-W423 HydrophobicContact CH2-CD2 3.71Å; W410-W423 AromaticContact CH2-CE3 3.54Å; W410-W423 HydrophobicContact CH2-CE3 3.54Å; W410-W423 HydrophobicContact CH2-CG 4.04Å; W410-W423 HydrophobicContact CH2-CZ3 4.04Å; W410-W423 HydrophobicContact CZ2-CE3 4.49Å; W410-W423 HydrophobicContact CZ3-CB 3.7Å; W410-W423 AromaticContact CZ3-CD2 3.91Å; W410-W423 HydrophobicContact CZ3-CD2 3.91Å; W410-W423 HydrophobicContact CZ3-CE3 4.16Å; W410-W423 AromaticContact CZ3-CG 3.72Å; W410-W423 HydrophobicContact CZ3-CG 3.72Å; G419-W423 WeakPolarHBondContact O-CB 3.44Å; G419-W423 PolarHBondContact O-N 3.27Å; G419-W423 VanDerWaalsContact O-N 3.16Å; T421-W423 VanDerWaalsContact C-N 3.27Å; T421-W423 PolarHBondContact O-N 3.48Å; W423-E425 VanDerWaalsContact C-N 3.32Å; W423-D426 PolarHBondContact O-N 3.42Å; W423-N427 PolarHBondContact NE1-ND2 2.87Å; W423-N427 WeakPolarHBondContact O-CB 3.37Å; W423-N427 PolarHBondContact O-N 3.47Å; W423-N427 PolarHBondContact O-ND2 2.74Å; W423-L431 HydrophobicContact CE3-CD1 3.99Å; W423-L431 HydrophobicContact CH2-CD2 3.97Å; W423-L431 HydrophobicContact CZ3-CD1 3.67Å; W423-L431 HydrophobicContact CZ3-CD2 3.74Å; W423-L431 HydrophobicContact CZ3-CG 4.24Å; W423-Y513 HydrophobicContact CE3-CE1 4.3Å; W423-Y513 HydrophobicContact CZ3-CE1 4.06Å
424A98.8Very high98.4Very high3 Ų334.2 Ų34.23%0.02516%0.158CC..Hα-helixtrans-65-36172.700000111.8S420 T421 N427 A428 L431 A512 Y513 L517S420-A424 WeakPolarHBondContact O-CB 3.42Å; S420-A424 PolarHBondContact O-N 3.41Å; T421-A424 CarbonylContact O-C 3.59Å; T421-A424 WeakPolarHBondContact O-CA 3.39Å; T421-A424 WeakPolarHBondContact O-CB 3.37Å; T421-A424 PolarHBondContact O-N 3.02Å; A424-N427 CarbonylContact O-C 3.48Å; A424-A428 WeakPolarHBondContact O-CA 3.36Å; A424-A428 VanDerWaalsContact O-CB 3.32Å; A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 3.23Å; A424-L431 HydrophobicContact CB-CD1 4.38Å; A424-A512 HydrophobicContact CB-CB 3.83Å; A424-Y513 HydrophobicContact CB-CE1 4.49Å; A424-L517 HydrophobicContact CB-CD1 4.02Å
425E98.6Very high98.5Very high17 Ų1734 Ų348%0.07916%0.157CC..Hα-helixtrans-68-47.4173.4-68.5-168.9149.900112.3G261 Y262 T421 E422 W423 N427 A428 R516G261-E425 WeakPolarHBondContact CA-OE1 3.27Å; G261-E425 PolarHBondContact N-OE1 3.22Å; Y262-E425 WeakPolarHBondContact CA-OE2 3.46Å; Y262-E425 PolarHBondContact N-OE2 2.94Å; Y262-E425 VanDerWaalsContact O-OE2 3.06Å; T421-E425 HydrophobicContact CG2-CG 4.49Å; T421-E425 WeakPolarHBondContact O-CG 3.32Å; T421-E425 PolarHBondContact O-N 3.24Å; E422-E425 PolarHBondContact O-N 2.86Å; W423-E425 VanDerWaalsContact C-N 3.32Å; E425-N427 PolarHBondContact O-N 3.09Å; E425-A428 PolarHBondContact O-N 3.35Å; E425-R516 IonicContact OE1-CZ 3.99Å; E425-R516 IonicContact OE1-NH1 3.99Å; E425-R516 PolarHBondContact OE1-NH1 2.72Å; E425-R516 IonicContact OE1-NH2 3.48Å; E425-R516 PolarHBondContact OE1-NH2 3.35Å
426D98.7Very high98.5Very high61 Ų6134 Ų3433%0.32616%0.157SC..Hα-helixtrans-58.1-35.4178.2-163.731.1000112Y103 P263 K265 E422 W423Y103-D426 HydrophobicContact CE1-CB 4.29Å; Y103-D426 WeakPolarHBondContact OH-CB 3.47Å; Y103-D426 PolarHBondContact OH-OD2 3.42Å; Y103-D426 VanDerWaalsContact OH-OD2 3.1Å; P263-D426 HydrophobicContact CB-CB 3.74Å; P263-D426 HydrophobicContact CG-CB 4.14Å; K265-D426 WeakPolarHBondContact CE-OD1 3.4Å; K265-D426 WeakPolarHBondContact CE-OD2 3.01Å; K265-D426 IonicContact NZ-OD1 3.13Å; K265-D426 IonicContact NZ-OD2 2.72Å; K265-D426 PolarHBondContact NZ-OD2 2.8Å; E422-D426 WeakPolarHBondContact O-CB 3.36Å; E422-D426 PolarHBondContact O-N 3.21Å; W423-D426 PolarHBondContact O-N 3.42Å
427N98.8Very high98.5Very high35 Ų3533.6 Ų33.619%0.18715%0.153CC..THydrogen-bonded Turntrans-110.813-175-63.7-86.8000113.5W423 A424 E425 R429 L430 L431W423-N427 PolarHBondContact NE1-ND2 2.87Å; W423-N427 WeakPolarHBondContact O-CB 3.37Å; W423-N427 PolarHBondContact O-N 3.47Å; W423-N427 PolarHBondContact O-ND2 2.74Å; A424-N427 CarbonylContact O-C 3.48Å; E425-N427 PolarHBondContact O-N 3.09Å; N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.46Å; N427-R429 VanDerWaalsContact O-N 3.14Å; N427-L430 PolarHBondContact O-N 3.09Å; N427-L431 HydrophobicContact CB-CD1 3.87Å; N427-L431 HydrophobicContact CB-CG 3.92Å; N427-L431 WeakPolarHBondContact O-CG 3.14Å; N427-L431 PolarHBondContact O-N 3.21Å
428A98Very high98.6Very high23 Ų2333 Ų3319%0.1915%0.15CC..Hα-helixtrans-52.2-45.9-169.900000112.7A424 E425 L430 L431 Q432 L517A424-A428 WeakPolarHBondContact O-CA 3.36Å; A424-A428 VanDerWaalsContact O-CB 3.32Å; A424-A428 WeakPolarHBondContact O-CB 3.3Å; A424-A428 PolarHBondContact O-N 3.23Å; E425-A428 PolarHBondContact O-N 3.35Å; A428-L430 VanDerWaalsContact C-N 3.33Å; A428-L430 PolarHBondContact O-N 2.97Å; A428-L431 PolarHBondContact O-N 3.26Å; A428-Q432 VanDerWaalsContact O-CB 3.31Å; A428-Q432 WeakPolarHBondContact O-CB 3.41Å; A428-Q432 VanDerWaalsContact O-CG 3.25Å; A428-Q432 WeakPolarHBondContact O-CG 3.42Å; A428-Q432 PolarHBondContact O-N 3.02Å; A428-L517 HydrophobicContact CB-CD2 4.1Å
429R97.1Very high98.6Very high222 Ų22233 Ų3384%0.83815%0.15SC*.Hα-helixtrans-61-39.3178.7-64.4-178-178.3177.61112.8N427 E433N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.46Å; N427-R429 VanDerWaalsContact O-N 3.14Å; R429-E433 WeakPolarHBondContact O-CG 3.44Å
430L98.3Very high98.6Very high67 Ų6733.1 Ų33.135%0.35115%0.15SC..Hα-helixtrans-74.3-45.7178.6-65.6177.4000110.5N427 A428 E433 R434N427-L430 PolarHBondContact O-N 3.09Å; A428-L430 VanDerWaalsContact C-N 3.33Å; A428-L430 PolarHBondContact O-N 2.97Å; L430-E433 PolarHBondContact O-N 3.38Å; L430-R434 WeakPolarHBondContact O-CB 3.44Å; L430-R434 WeakPolarHBondContact O-CG 3.49Å; L430-R434 PolarHBondContact O-N 2.94Å
431L98.8Very high98.5Very high2 Ų233.1 Ų33.11%0.0115%0.15CC..Hα-helixtrans-66.9-40.8-175.8-65.7173.9000112.1I362 W423 A424 N427 A428 E433 R434 A435 Y513 L517 I519 R662I362-L431 HydrophobicContact CD1-CD2 3.76Å; W423-L431 HydrophobicContact CE3-CD1 3.99Å; W423-L431 HydrophobicContact CH2-CD2 3.97Å; W423-L431 HydrophobicContact CZ3-CD1 3.67Å; W423-L431 HydrophobicContact CZ3-CD2 3.74Å; W423-L431 HydrophobicContact CZ3-CG 4.24Å; A424-L431 HydrophobicContact CB-CD1 4.38Å; N427-L431 HydrophobicContact CB-CD1 3.87Å; N427-L431 HydrophobicContact CB-CG 3.92Å; N427-L431 WeakPolarHBondContact O-CG 3.14Å; N427-L431 PolarHBondContact O-N 3.21Å; A428-L431 PolarHBondContact O-N 3.26Å; L431-E433 PolarHBondContact O-N 3.3Å; L431-R434 PolarHBondContact O-N 2.91Å; L431-A435 HydrophobicContact CB-CB 4.41Å; L431-A435 HydrophobicContact CD2-CB 4.28Å; L431-A435 WeakPolarHBondContact O-CB 3.13Å; L431-A435 PolarHBondContact O-N 3.4Å; L431-Y513 HydrophobicContact CD1-CE1 3.99Å; L431-L517 HydrophobicContact CB-CD1 4Å; L431-L517 HydrophobicContact CD1-CD1 3.98Å; L431-I519 HydrophobicContact CB-CD1 4.03Å; L431-R662 PolarHBondContact O-NH2 3.35Å
432Q96.9Very high98.5Very high58 Ų5833.4 Ų33.427%0.27115%0.152SC..Hα-helixtrans-60-37.2176.6-75.1175.7-3100112A428 L517 R662A428-Q432 VanDerWaalsContact O-CB 3.31Å; A428-Q432 WeakPolarHBondContact O-CB 3.41Å; A428-Q432 VanDerWaalsContact O-CG 3.25Å; A428-Q432 WeakPolarHBondContact O-CG 3.42Å; A428-Q432 PolarHBondContact O-N 3.02Å; Q432-L517 HydrophobicContact CG-CB 4.22Å; Q432-L517 HydrophobicContact CG-CD2 3.93Å; Q432-R662 PolarHBondContact O-NE 2.88Å; Q432-R662 PolarHBondContact O-NH2 3.34Å
433E98.4Very high98.5Very high102 Ų10233.5 Ų33.548%0.47715%0.152SC..Hα-helixtrans-92.1-16.2-177-61.7-57.4154.100115.2R359 R429 L430 L431 Y659R359-E433 PolarHBondContact NH1-O 2.94Å; R429-E433 WeakPolarHBondContact O-CG 3.44Å; L430-E433 PolarHBondContact O-N 3.38Å; L431-E433 PolarHBondContact O-N 3.3Å; E433-Y659 PolarHBondContact O-OH 2.61Å; E433-Y659 PolarHBondContact OE2-OH 2.77Å
434R98.8Very high98.5Very high89 Ų8932.8 Ų32.834%0.33615%0.15SC..Hα-helixtrans-130.1-23.6-167.8-60-175.3-178175.21.5114.6D358 R359 Y360 L430 L431 V436D358-R434 WeakPolarHBondContact O-CB 3.23Å; D358-R434 WeakPolarHBondContact O-CD 3.41Å; D358-R434 WeakPolarHBondContact O-CG 3.31Å; R359-R434 CarbonylContact C-O 3.56Å; R359-R434 WeakPolarHBondContact CA-O 3.46Å; Y360-R434 HydrophobicContact CD2-CB 3.58Å; Y360-R434 HydrophobicContact CE2-CB 3.52Å; Y360-R434 HydrophobicContact CE2-CG 4.17Å; Y360-R434 HydrophobicContact CG-CB 4.24Å; Y360-R434 PolarHBondContact N-O 2.99Å; Y360-R434 WeakPolarHBondContact OH-CD 3.31Å; Y360-R434 PolarHBondContact OH-NH1 2.91Å; L430-R434 WeakPolarHBondContact O-CB 3.44Å; L430-R434 WeakPolarHBondContact O-CG 3.49Å; L430-R434 PolarHBondContact O-N 2.94Å; L431-R434 PolarHBondContact O-N 2.91Å; R434-V436 PolarHBondContact O-N 3.47Å
435A98.8Very high98.5Very high0 Ų032.7 Ų32.70%015%0.149CC..EExtended strand (participates in β ladder)trans-74.5118-177.200000110.9Y360 I362 L431 I519 R662Y360-A435 CarbonylContact O-C 3.5Å; Y360-A435 WeakPolarHBondContact O-CA 3.22Å; I362-A435 HydrophobicContact CD1-CB 4.29Å; L431-A435 HydrophobicContact CB-CB 4.41Å; L431-A435 HydrophobicContact CD2-CB 4.28Å; L431-A435 WeakPolarHBondContact O-CB 3.13Å; L431-A435 PolarHBondContact O-N 3.4Å; A435-I519 HydrophobicContact CB-CD1 3.72Å; A435-I519 HydrophobicContact CB-CG1 4.01Å; A435-I519 HydrophobicContact CB-CG2 3.95Å; A435-R662 PolarHBondContact O-NH2 3.11Å
436V98.9Very high98.4Very high0 Ų032.8 Ų32.80%015%0.149CC..EExtended strand (participates in β ladder)trans-72.2-53.8173.6171.50000109.8R359 Y360 V361 R434 L576 L582 M658R359-V436 HydrophobicContact CB-CG2 3.98Å; Y360-V436 PolarHBondContact O-N 3.13Å; V361-V436 HydrophobicContact CG2-CB 4.03Å; V361-V436 HydrophobicContact CG2-CG1 4.26Å; R434-V436 PolarHBondContact O-N 3.47Å; V436-L576 HydrophobicContact CG1-CD2 4.32Å; V436-L582 HydrophobicContact CG1-CD1 4.03Å; V436-L582 HydrophobicContact CG1-CD2 3.43Å; V436-L582 VanDerWaalsContact CG1-CD2 3.43Å; V436-L582 HydrophobicContact CG1-CG 4.39Å; V436-L582 HydrophobicContact CG2-CD1 4.49Å; V436-L582 HydrophobicContact CG2-CD2 4.31Å; V436-M658 HydrophobicContact CG2-SD 3.96Å
437A98.9Very high98.4Very high0 Ų029.9 Ų29.90%013%0.134CC..EExtended strand (participates in β ladder)trans-159.3157.7-177.100000112I362 A520 L576I362-A437 PolarHBondContact N-O 3.13Å; A437-A520 CarbonylContact C-O 3.24Å; A437-A520 WeakPolarHBondContact CA-O 3.11Å; A437-A520 HydrophobicContact CB-CB 4.42Å; A437-A520 WeakPolarHBondContact CB-O 3.38Å; A437-L576 HydrophobicContact CB-CD1 3.84Å; A437-L576 HydrophobicContact CB-CD2 4.4Å
438Y98.9Very high98.2Very high0 Ų030.7 Ų30.70%014%0.137CC..EExtended strand (participates in β ladder)trans-120118.3173.6178.7-87.1000110.7I362 G364 W410 N440 D509 F510 Y513 A520 A521 G522I362-Y438 HydrophobicContact CB-CD2 3.85Å; I362-Y438 HydrophobicContact CG2-CD2 3.63Å; I362-Y438 HydrophobicContact CG2-CE2 3.87Å; G364-Y438 PolarHBondContact O-OH 2.95Å; G364-Y438 VanDerWaalsContact O-OH 3.11Å; W410-Y438 HydrophobicContact CZ2-CE2 4.21Å; W410-Y438 AromaticContact NE1-CE2 3.99Å; W410-Y438 AromaticContact NE1-CZ 3.9Å; W410-Y438 PolarHBondContact NE1-OH 2.99Å; Y438-N440 HydrophobicContact CD1-CB 4.43Å; Y438-N440 HydrophobicContact CE1-CB 3.72Å; Y438-N440 WeakPolarHBondContact CE1-OD1 3.08Å; Y438-N440 PolarHBondContact OH-OD1 3.2Å; Y438-D509 VanDerWaalsContact OH-CB 3.31Å; Y438-D509 WeakPolarHBondContact OH-CB 3.36Å; Y438-F510 HydrophobicContact CD1-CB 3.62Å; Y438-F510 VanDerWaalsContact CE1-CA 3.46Å; Y438-F510 HydrophobicContact CE1-CB 3.53Å; Y438-Y513 HydrophobicContact CD1-CD2 4.34Å; Y438-Y513 HydrophobicContact CD1-CG 4.4Å; Y438-Y513 AromaticContact CD2-CD1 3.7Å; Y438-Y513 HydrophobicContact CD2-CD1 3.7Å; Y438-Y513 AromaticContact CD2-CD2 3.74Å; Y438-Y513 HydrophobicContact CD2-CD2 3.74Å; Y438-Y513 AromaticContact CD2-CE1 3.89Å; Y438-Y513 HydrophobicContact CD2-CE1 3.89Å; Y438-Y513 AromaticContact CD2-CE2 3.94Å; Y438-Y513 HydrophobicContact CD2-CE2 3.94Å; Y438-Y513 AromaticContact CD2-CG 3.63Å; Y438-Y513 HydrophobicContact CD2-CG 3.63Å; Y438-Y513 HydrophobicContact CE1-CD2 4.35Å; Y438-Y513 HydrophobicContact CE2-CD1 4.36Å; Y438-Y513 AromaticContact CE2-CD2 3.77Å; Y438-Y513 HydrophobicContact CE2-CD2 3.77Å; Y438-Y513 HydrophobicContact CE2-CE1 4.22Å; Y438-Y513 AromaticContact CE2-CE2 3.62Å; Y438-Y513 HydrophobicContact CE2-CE2 3.62Å; Y438-Y513 HydrophobicContact CE2-CG 4.16Å; Y438-Y513 AromaticContact CE2-CZ 3.86Å; Y438-Y513 HydrophobicContact CG-CD1 4.16Å; Y438-Y513 HydrophobicContact CG-CD2 4.04Å; Y438-Y513 AromaticContact CG-CG 3.78Å; Y438-Y513 HydrophobicContact CG-CG 3.78Å; Y438-A520 PolarHBondContact N-O 3.2Å; Y438-A521 CarbonylContact O-C 3.57Å; Y438-A521 WeakPolarHBondContact O-CA 3.22Å; Y438-G522 PolarHBondContact O-N 3.31Å
439I98.9Very high98.2Very high0 Ų032.9 Ų32.90%014%0.141CC..EExtended strand (participates in β ladder)trans-103.4116.5174.6-54.1-54.6000108.5I362 L363 G364 L459 G522 R569 L572 I573 L576I362-I439 PolarHBondContact O-N 3.18Å; L363-I439 WeakPolarHBondContact CA-O 3.25Å; L363-I439 HydrophobicContact CD1-CB 4.09Å; L363-I439 HydrophobicContact CD1-CG2 3.97Å; G364-I439 PolarHBondContact N-O 3.08Å; I439-L459 HydrophobicContact CD1-CD1 4.48Å; I439-G522 CarbonylContact C-O 3.51Å; I439-G522 WeakPolarHBondContact CA-O 3.34Å; I439-R569 HydrophobicContact CG2-CB 4.4Å; I439-R569 HydrophobicContact CG2-CG 4.46Å; I439-L572 HydrophobicContact CD1-CB 4.26Å; I439-L572 HydrophobicContact CD1-CD1 4.21Å; I439-L572 HydrophobicContact CG1-CB 4.23Å; I439-L572 HydrophobicContact CG2-CD1 4.4Å; I439-I573 HydrophobicContact CB-CG2 3.94Å; I439-I573 HydrophobicContact CG1-CG2 3.72Å; I439-L576 HydrophobicContact CD1-CD1 4.16Å; I439-L576 HydrophobicContact CG1-CD1 4.37Å
440N98.9Very high98.3Very high1 Ų122.4 Ų22.41%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-81.2142-178.8-160.375.8000111.8G364 Y438 D442 S508 F510 G522 R523G364-N440 CarbonylContact O-C 3.56Å; G364-N440 WeakPolarHBondContact O-CA 3.49Å; Y438-N440 HydrophobicContact CD1-CB 4.43Å; Y438-N440 HydrophobicContact CE1-CB 3.72Å; Y438-N440 WeakPolarHBondContact CE1-OD1 3.08Å; Y438-N440 PolarHBondContact OH-OD1 3.2Å; N440-D442 WeakPolarHBondContact ND2-CB 3.02Å; N440-S508 WeakPolarHBondContact ND2-CB 3.38Å; N440-S508 PolarHBondContact ND2-OG 2.97Å; N440-F510 HydrophobicContact CB-CB 4.2Å; N440-F510 HydrophobicContact CB-CD1 4.07Å; N440-F510 PolarHBondContact OD1-N 3.49Å; N440-G522 PolarHBondContact N-O 3.43Å; N440-R523 HydrophobicContact CB-CB 3.88Å
441A98.1Very high98.3Very high0 Ų019.2 Ų19.20%09%0.085CC..  trans-13937.3-172.300000114.9L363 G364 G380 V384 R569L363-A441 HydrophobicContact CD1-CB 3.91Å; G364-A441 PolarHBondContact O-N 3.06Å; G380-A441 CarbonylContact C-O 3.57Å; G380-A441 VanDerWaalsContact CA-O 3.29Å; G380-A441 WeakPolarHBondContact CA-O 3.32Å; V384-A441 HydrophobicContact CG2-CB 3.25Å; A441-R569 VanDerWaalsContact CA-NH1 3.27Å; A441-R569 PolarHBondContact O-NH1 3.42Å
442D98Very high98.3Very high8 Ų821.9 Ų21.94%0.04310%0.095CC..SBendtrans-56-173.9155.4169.516.9000110.7H366 G380 N440 A444 S508 R523 R569H366-D442 IonicContact NE2-OD1 3.37Å; H366-D442 PolarHBondContact NE2-OD1 3.05Å; G380-D442 VanDerWaalsContact CA-O 3.27Å; G380-D442 WeakPolarHBondContact CA-O 3.44Å; N440-D442 WeakPolarHBondContact ND2-CB 3.02Å; D442-A444 PolarHBondContact O-N 3.45Å; D442-S508 WeakPolarHBondContact CB-OG 3.4Å; D442-S508 PolarHBondContact OD2-OG 3.07Å; D442-R523 IonicContact OD2-CZ 2.78Å; D442-R523 IonicContact OD2-NH1 3.4Å; D442-R523 IonicContact OD2-NH2 2.78Å; D442-R523 PolarHBondContact OD2-NH2 3.25Å; D442-R569 VanDerWaalsContact O-CZ 3.24Å; D442-R569 PolarHBondContact O-NH1 3.02Å; D442-R569 PolarHBondContact O-NH2 2.72Å
443S98.7Very high98.4Very high1 Ų119.2 Ų19.21%0.0078%0.082CC..  trans-12.4111.4168.9-62.40000114.5D376 S379 R525 R569D376-S443 WeakPolarHBondContact CA-OG 3.4Å; D376-S443 WeakPolarHBondContact CB-OG 3.29Å; S379-S443 WeakPolarHBondContact OG-CA 3.44Å; S443-R525 WeakPolarHBondContact O-CB 3.41Å; S443-R569 PolarHBondContact O-NH2 2.97Å
444A98.7Very high98.3Very high0 Ų014.7 Ų14.70%06%0.061CC..SBendtrans-83.4-21.817700000112.1S379 V383 D442 R525 Y526 L562 V565S379-A444 WeakPolarHBondContact O-CB 3.5Å; S379-A444 PolarHBondContact OG-N 2.64Å; V383-A444 HydrophobicContact CG2-CB 4Å; D442-A444 PolarHBondContact O-N 3.45Å; A444-R525 WeakPolarHBondContact O-CA 3.46Å; A444-Y526 PolarHBondContact O-N 3.46Å; A444-L562 HydrophobicContact CB-CG 4.31Å; A444-V565 HydrophobicContact CB-CB 4.39Å; A444-V565 HydrophobicContact CB-CG1 3.93Å
445I98.6Very high98.3Very high0 Ų010.7 Ų10.70%05%0.047CC..BIsolated β-bridgetrans-143107.6-174.8-171.8156.8000113I375 V551 Y555 D556 R561 L562I375-I445 WeakPolarHBondContact CG2-O 3.47Å; I445-V551 HydrophobicContact CG2-CG1 4.39Å; I445-Y555 HydrophobicContact CD1-CD1 4.48Å; I445-Y555 HydrophobicContact CG1-CD1 4Å; I445-D556 HydrophobicContact CD1-CB 3.74Å; I445-R561 HydrophobicContact CD1-CB 4.32Å; I445-L562 HydrophobicContact CB-CD1 4.03Å; I445-L562 HydrophobicContact CD1-CD1 3.95Å; I445-L562 HydrophobicContact CG2-CD1 3.72Å; I445-L562 HydrophobicContact CG2-CG 4.41Å
446E97.9Very high98.2Very high19 Ų1910.7 Ų10.79%0.0895%0.047CC..SBendtrans-107.9-0.2175-66.5175.9-16500112.2R525 Y526 Y538E446-R525 VanDerWaalsContact CD-CD 3.47Å; E446-R525 WeakPolarHBondContact OE1-CD 3.44Å; E446-R525 IonicContact OE1-CZ 3.24Å; E446-R525 IonicContact OE1-NE 2.93Å; E446-R525 PolarHBondContact OE1-NE 2.63Å; E446-R525 IonicContact OE1-NH2 2.71Å; E446-R525 PolarHBondContact OE1-NH2 3.24Å; E446-R525 IonicContact OE2-CZ 3.34Å; E446-R525 IonicContact OE2-NE 2.73Å; E446-R525 PolarHBondContact OE2-NE 2.86Å; E446-R525 IonicContact OE2-NH2 2.91Å; E446-R525 PolarHBondContact OE2-NH2 2.9Å; E446-Y526 PolarHBondContact N-O 3.36Å; E446-Y538 HydrophobicContact CB-CD1 3.94Å; E446-Y538 HydrophobicContact CB-CE1 4.46Å; E446-Y538 HydrophobicContact CG-CD1 3.89Å; E446-Y538 HydrophobicContact CG-CE1 3.92Å
447G97.2Very high98.2Very high0 Ų010.8 Ų10.80%05%0.047CC..  trans178.1172.9-179.900000111.6T527G447-T527 CarbonylContact C-O 3.57Å
448M96.2Very high98.2Very high52 Ų5211 Ų1126%0.2565%0.049SC..SBendtrans-111.916.2-162.7-57.8165.2-84.200113.5W236 Y555W236-M448 HydrophobicContact CH2-CE 4.34Å; W236-M448 HydrophobicContact CZ2-CE 3.7Å; M448-Y555 HydrophobicContact CG-CD1 4.25Å; M448-Y555 WeakPolarHBondContact CG-O 3.33Å
449Y97.8Very high98.2Very high70 Ų7011.1 Ų11.128%0.2755%0.05SC..SBendtrans-100.7-57.1-168.7-176.2-118.8000113.2R489 T527 N529Y449-R489 HydrophobicContact CD1-CB 4.28Å; Y449-R489 HydrophobicContact CE1-CB 3.56Å; Y449-R489 HydrophobicContact CE1-CG 4Å; Y449-R489 HydrophobicContact CE2-CG 4.1Å; Y449-R489 WeakPolarHBondContact O-CD 3.49Å; Y449-R489 PolarHBondContact O-NE 3.42Å; Y449-T527 WeakPolarHBondContact CA-O 3.44Å; Y449-T527 WeakPolarHBondContact CB-O 3.49Å; Y449-T527 PolarHBondContact N-O 3.49Å; Y449-N529 HydrophobicContact CD1-CB 3.57Å; Y449-N529 HydrophobicContact CD2-CB 3.96Å; Y449-N529 HydrophobicContact CE1-CB 3.85Å; Y449-N529 HydrophobicContact CE2-CB 4.24Å; Y449-N529 HydrophobicContact CG-CB 3.63Å
450T98.4Very high98.2Very high2 Ų211.6 Ų11.61%0.0125%0.052CC..EExtended strand (participates in β ladder)trans-159.6168.3-172.8-161.70000112.7R489 D490 Y526 T527T450-R489 HydrophobicContact CG2-CB 4.08Å; T450-D490 HydrophobicContact CG2-CB 4.16Å; T450-Y526 WeakPolarHBondContact O-CA 3.45Å; T450-T527 PolarHBondContact N-O 3.03Å; T450-T527 PolarHBondContact O-N 3.39Å
451L98.7Very high98.1Very high0 Ų013.6 Ų13.60%06%0.064CC..EExtended strand (participates in β ladder)trans-65.3141.7172.5-170.870.5000110.8V453 T467 L482 W486 A524 R525 Y526 V565 V568L451-V453 HydrophobicContact CD2-CG2 3.86Å; L451-V453 HydrophobicContact CG-CG2 4.06Å; L451-T467 HydrophobicContact CD2-CG2 3.87Å; L451-L482 HydrophobicContact CB-CD1 4.37Å; L451-L482 HydrophobicContact CD2-CD2 4.02Å; L451-L482 HydrophobicContact CD2-CG 4.21Å; L451-W486 HydrophobicContact CB-CB 4.36Å; L451-W486 HydrophobicContact CB-CD2 4.34Å; L451-W486 HydrophobicContact CB-CG 4.09Å; L451-W486 HydrophobicContact CD2-CD2 4.17Å; L451-W486 HydrophobicContact CD2-CE3 3.97Å; L451-W486 HydrophobicContact CD2-CZ3 4.33Å; L451-W486 PolarHBondContact O-NE1 3.37Å; L451-A524 HydrophobicContact CD1-CB 4.46Å; L451-R525 CarbonylContact C-O 3.53Å; L451-Y526 HydrophobicContact CD1-CD2 4.45Å; L451-V565 HydrophobicContact CD1-CG2 4.44Å; L451-V568 HydrophobicContact CD2-CG2 4.37Å
452R98.3Very high98.2Very high58 Ų5814.1 Ų14.122%0.2197%0.067CC..EExtended strand (participates in β ladder)trans-124.2130.8166.3174.6178.4176.2170.9-1.2108.9D454 A524 R525 T527R452-D454 IonicContact CZ-OD1 3.3Å; R452-D454 IonicContact NE-OD1 3.95Å; R452-D454 PolarHBondContact NE-OD1 3.31Å; R452-D454 IonicContact NE-OD2 3.44Å; R452-D454 PolarHBondContact NE-OD2 3.4Å; R452-D454 IonicContact NH2-OD1 2.7Å; R452-D454 PolarHBondContact NH2-OD1 2.94Å; R452-D454 IonicContact NH2-OD2 3.12Å; R452-A524 WeakPolarHBondContact O-CA 3.44Å; R452-R525 HydrophobicContact CB-CG 4.32Å; R452-R525 PolarHBondContact N-O 3.17Å; R452-R525 PolarHBondContact O-N 3.04Å; R452-T527 HydrophobicContact CB-CG2 3.65Å
453V98.4Very high98.2Very high2 Ų213.8 Ų13.81%0.0127%0.065CC..EExtended strand (participates in β ladder)trans-121.4133.4172.8-177.20000109.2L451 C455 V463 W486 I501 S502 R523 A524L451-V453 HydrophobicContact CD2-CG2 3.86Å; L451-V453 HydrophobicContact CG-CG2 4.06Å; V453-C455 HydrophobicContact CG1-CB 4.38Å; V453-V463 HydrophobicContact CB-CG1 4.4Å; V453-V463 HydrophobicContact CG1-CG1 4.07Å; V453-V463 HydrophobicContact CG1-CG2 4.16Å; V453-V463 HydrophobicContact CG2-CG1 3.99Å; V453-W486 HydrophobicContact CB-CH2 3.9Å; V453-W486 HydrophobicContact CB-CZ2 4.06Å; V453-W486 HydrophobicContact CG2-CH2 3.69Å; V453-W486 HydrophobicContact CG2-CZ2 3.98Å; V453-W486 HydrophobicContact CG2-CZ3 4.27Å; V453-I501 HydrophobicContact CB-CG1 4.37Å; V453-I501 HydrophobicContact CG1-CG1 4.5Å; V453-I501 HydrophobicContact CG1-CG2 4.4Å; V453-S502 PolarHBondContact O-N 3.27Å; V453-R523 WeakPolarHBondContact CA-O 3.26Å; V453-A524 HydrophobicContact CG2-CB 4.15Å
454D97.9Very high98.2Very high6 Ų614.4 Ų14.43%0.0327%0.068CC..EExtended strand (participates in β ladder)trans-121.6119.8167.1-36.3-86.4000106.8R452 S502 L504 G522 R523 R525R452-D454 IonicContact CZ-OD1 3.3Å; R452-D454 IonicContact NE-OD1 3.95Å; R452-D454 PolarHBondContact NE-OD1 3.31Å; R452-D454 IonicContact NE-OD2 3.44Å; R452-D454 PolarHBondContact NE-OD2 3.4Å; R452-D454 IonicContact NH2-OD1 2.7Å; R452-D454 PolarHBondContact NH2-OD1 2.94Å; R452-D454 IonicContact NH2-OD2 3.12Å; D454-S502 VanDerWaalsContact CA-O 3.23Å; D454-S502 WeakPolarHBondContact CA-O 3.49Å; D454-S502 WeakPolarHBondContact OD1-CB 3.49Å; D454-L504 HydrophobicContact CB-CD2 3.8Å; D454-L504 HydrophobicContact CB-CG 4.46Å; D454-L504 WeakPolarHBondContact O-CD2 3.41Å; D454-G522 CarbonylContact O-C 3.56Å; D454-G522 VanDerWaalsContact O-CA 3.31Å; D454-G522 WeakPolarHBondContact O-CA 3.2Å; D454-R523 HydrophobicContact CB-CG 3.93Å; D454-R523 PolarHBondContact N-O 3.16Å; D454-R523 PolarHBondContact O-N 2.72Å; D454-R523 WeakPolarHBondContact OD2-CD 3.24Å; D454-R523 WeakPolarHBondContact OD2-CG 3.27Å; D454-R525 IonicContact OD2-CZ 2.94Å; D454-R525 IonicContact OD2-NH1 3.31Å; D454-R525 PolarHBondContact OD2-NH1 3.47Å
455C98.2Very high98.2Very high5 Ų517.8 Ų17.83%0.0349%0.086CC..EExtended strand (participates in β ladder)trans-155.8168.5179.364.20000113.2V453 L459 I501 S502 A521 G522V453-C455 HydrophobicContact CG1-CB 4.38Å; C455-L459 HydrophobicContact CB-CB 4.25Å; C455-L459 HydrophobicContact CB-CD1 4.19Å; C455-I501 VanDerWaalsContact SG-CG2 3.57Å; C455-S502 PolarHBondContact N-O 2.95Å; C455-A521 CarbonylContact C-O 3.5Å; C455-A521 VanDerWaalsContact CA-O 3.29Å; C455-A521 WeakPolarHBondContact CA-O 3.46Å; C455-A521 WeakPolarHBondContact CB-O 3.4Å; C455-G522 VanDerWaalsContact CB-CA 3.48Å
456T97.8Very high98.2Very high1 Ų117.8 Ų17.81%0.0069%0.086CC..  trans-62.3146.1169.2177.60000110.9S458 L459 A520 A521 E661T456-S458 WeakPolarHBondContact CG2-OG 3.41Å; T456-S458 PolarHBondContact O-N 3.07Å; T456-S458 VanDerWaalsContact O-N 3.11Å; T456-L459 HydrophobicContact CG2-CB 4.32Å; T456-L459 HydrophobicContact CG2-CD1 3.72Å; T456-L459 HydrophobicContact CG2-CG 3.81Å; T456-L459 PolarHBondContact O-N 2.68Å; T456-A520 HydrophobicContact CG2-CB 3.78Å; T456-A521 PolarHBondContact N-O 2.71Å; T456-E661 WeakPolarHBondContact CB-OE2 3.46Å; T456-E661 WeakPolarHBondContact CG2-OE2 3.19Å; T456-E661 PolarHBondContact OG1-OE2 3.37Å
457P98.3Very high98.2Very high1 Ų116.9 Ų16.91%0.0068%0.082CC..G310 helixtrans-51.2-35.4178.2-29.936.4000114.8L459 H460 E588 Y589 S592 F681P457-L459 PolarHBondContact O-N 2.73Å; P457-H460 WeakPolarHBondContact O-CB 3.18Å; P457-H460 VanDerWaalsContact O-CG 3.3Å; P457-H460 PolarHBondContact O-N 3.15Å; P457-E588 HydrophobicContact CB-CB 4.38Å; P457-E588 WeakPolarHBondContact O-CB 3.42Å; P457-Y589 HydrophobicContact CB-CD2 3.99Å; P457-Y589 HydrophobicContact CB-CG 4.1Å; P457-Y589 HydrophobicContact CG-CD2 4.14Å; P457-Y589 HydrophobicContact CG-CE2 4.32Å; P457-Y589 HydrophobicContact CG-CG 4.33Å; P457-S592 WeakPolarHBondContact CG-OG 3.38Å; P457-F681 HydrophobicContact CG-CE2 4.48Å; P457-F681 HydrophobicContact CG-CZ 4.01Å
458S98.4Very high98.3Very high6 Ų621.6 Ų21.64%0.04210%0.102CC..G310 helixtrans-62.9-17.6-178.167.10000113.8T456 L584 D585T456-S458 WeakPolarHBondContact CG2-OG 3.41Å; T456-S458 PolarHBondContact O-N 3.07Å; T456-S458 VanDerWaalsContact O-N 3.11Å; S458-L584 WeakPolarHBondContact O-CA 3.37Å; S458-D585 WeakPolarHBondContact CA-O 3.39Å; S458-D585 PolarHBondContact O-N 3.31Å
459L98.8Very high98.3Very high1 Ų124.2 Ų24.21%0.00511%0.113CC..G310 helixtrans-93.4-6.1177.4-70.2172.1000114.2I439 C455 T456 P457 T461 L462 V463 A521 L576 L584I439-L459 HydrophobicContact CD1-CD1 4.48Å; C455-L459 HydrophobicContact CB-CB 4.25Å; C455-L459 HydrophobicContact CB-CD1 4.19Å; T456-L459 HydrophobicContact CG2-CB 4.32Å; T456-L459 HydrophobicContact CG2-CD1 3.72Å; T456-L459 HydrophobicContact CG2-CG 3.81Å; T456-L459 PolarHBondContact O-N 2.68Å; P457-L459 PolarHBondContact O-N 2.73Å; L459-T461 PolarHBondContact O-N 2.93Å; L459-L462 HydrophobicContact CD2-CD2 3.9Å; L459-L462 PolarHBondContact O-N 2.76Å; L459-V463 WeakPolarHBondContact O-CG2 3.18Å; L459-V463 PolarHBondContact O-N 3.09Å; L459-A521 WeakPolarHBondContact CD1-O 3.19Å; L459-L576 HydrophobicContact CD2-CD1 4.21Å; L459-L576 HydrophobicContact CD2-CD2 4.05Å; L459-L584 HydrophobicContact CD2-CD2 3.54Å; L459-L584 HydrophobicContact CG-CD2 4.14Å
460H98.3Very high98.3Very high11 Ų1121 Ų215%0.05110%0.101CC..Hα-helixtrans-56.5-53.2-174.3-73.1176.9000112.7P457 L462 V463 Y464 R496 I501 E588P457-H460 WeakPolarHBondContact O-CB 3.18Å; P457-H460 VanDerWaalsContact O-CG 3.3Å; P457-H460 PolarHBondContact O-N 3.15Å; H460-L462 VanDerWaalsContact C-N 3.33Å; H460-L462 PolarHBondContact O-N 3.4Å; H460-V463 PolarHBondContact O-N 3.47Å; H460-Y464 HydrophobicContact CB-CE2 4.11Å; H460-Y464 WeakPolarHBondContact O-CD2 3.21Å; H460-Y464 PolarHBondContact O-N 2.99Å; H460-R496 PolarHBondContact ND1-NH2 3.07Å; H460-I501 HydrophobicContact CB-CD1 4.03Å; H460-I501 VanDerWaalsContact CD2-CD1 3.46Å; H460-I501 WeakPolarHBondContact CD2-CD1 3.31Å; H460-I501 WeakPolarHBondContact NE2-CG2 3.39Å; H460-E588 HydrophobicContact CB-CB 4.37Å; H460-E588 HydrophobicContact CB-CG 3.93Å; H460-E588 WeakPolarHBondContact CB-OE2 3.48Å; H460-E588 IonicContact CE1-OE2 2.79Å; H460-E588 IonicContact CG-OE2 3.17Å; H460-E588 IonicContact ND1-OE2 2.88Å; H460-E588 PolarHBondContact ND1-OE2 2.8Å
461T98.1Very high98.3Very high43 Ų4325 Ų2526%0.26413%0.129SC..Hα-helixtrans-57.8-45.7-179.2-52.60000111.3L459 V463 Y464 D465 D585L459-T461 PolarHBondContact O-N 2.93Å; T461-V463 PolarHBondContact O-N 3.05Å; T461-Y464 PolarHBondContact O-N 3.04Å; T461-D465 PolarHBondContact O-N 2.89Å; T461-D585 PolarHBondContact OG1-OD2 2.73Å; T461-D585 VanDerWaalsContact OG1-OD2 3.06Å
462L98.7Very high98.3Very high11 Ų1125.8 Ų25.86%0.05813%0.134CC..Hα-helixtrans-58.9-46.1176.5173.964000112.4L459 H460 Y464 D465 L466 L572 L575 L576 P583L459-L462 HydrophobicContact CD2-CD2 3.9Å; L459-L462 PolarHBondContact O-N 2.76Å; H460-L462 VanDerWaalsContact C-N 3.33Å; H460-L462 PolarHBondContact O-N 3.4Å; L462-Y464 VanDerWaalsContact C-N 3.34Å; L462-Y464 PolarHBondContact O-N 3.3Å; L462-D465 PolarHBondContact O-N 3.46Å; L462-L466 VanDerWaalsContact O-CB 3.25Å; L462-L466 WeakPolarHBondContact O-CB 3.39Å; L462-L466 PolarHBondContact O-N 3.49Å; L462-L572 HydrophobicContact CD2-CD2 3.7Å; L462-L572 HydrophobicContact CG-CD2 3.73Å; L462-L575 HydrophobicContact CD1-CB 3.76Å; L462-L575 HydrophobicContact CD1-CD1 3.48Å; L462-L575 VanDerWaalsContact CD1-CD1 3.48Å; L462-L575 HydrophobicContact CD1-CG 4.25Å; L462-L576 HydrophobicContact CD2-CD1 4.19Å; L462-L576 HydrophobicContact CD2-CD2 4Å; L462-L576 HydrophobicContact CD2-CG 3.81Å; L462-P583 HydrophobicContact CB-CB 4.47Å; L462-P583 HydrophobicContact CD1-CB 4.01Å; L462-P583 HydrophobicContact CD1-CG 3.93Å; L462-P583 HydrophobicContact CD2-CG 3.97Å; L462-P583 HydrophobicContact CG-CG 4.41Å
463V98.8Very high98.3Very high1 Ų123.7 Ų23.71%0.00613%0.128CC..Hα-helixtrans-60.7-45.7178.3167.90000110.5V453 L459 H460 T461 T467 W486 I501 L572V453-V463 HydrophobicContact CB-CG1 4.4Å; V453-V463 HydrophobicContact CG1-CG1 4.07Å; V453-V463 HydrophobicContact CG1-CG2 4.16Å; V453-V463 HydrophobicContact CG2-CG1 3.99Å; L459-V463 WeakPolarHBondContact O-CG2 3.18Å; L459-V463 PolarHBondContact O-N 3.09Å; H460-V463 PolarHBondContact O-N 3.47Å; T461-V463 PolarHBondContact O-N 3.05Å; V463-T467 HydrophobicContact CG1-CG2 4.49Å; V463-T467 WeakPolarHBondContact O-CB 3.2Å; V463-T467 VanDerWaalsContact O-CG2 3.3Å; V463-T467 WeakPolarHBondContact O-CG2 3.47Å; V463-T467 PolarHBondContact O-N 2.87Å; V463-T467 PolarHBondContact O-OG1 3.4Å; V463-W486 HydrophobicContact CG1-CH2 4.01Å; V463-W486 HydrophobicContact CG1-CZ3 3.89Å; V463-I501 HydrophobicContact CB-CD1 4.3Å; V463-I501 HydrophobicContact CG1-CD1 4.17Å; V463-L572 HydrophobicContact CG2-CD1 4.45Å; V463-L572 HydrophobicContact CG2-CD2 3.87Å
464Y98.6Very high98.2Very high14 Ų1424.4 Ų24.46%0.05513%0.132CC..Hα-helixtrans-64.5-45.7-179.8-64.8-38.9000112.2H460 T461 L462 L466 T467 K468 Y483 W486 R496 A498 P499 I501H460-Y464 HydrophobicContact CB-CE2 4.11Å; H460-Y464 WeakPolarHBondContact O-CD2 3.21Å; H460-Y464 PolarHBondContact O-N 2.99Å; T461-Y464 PolarHBondContact O-N 3.04Å; L462-Y464 VanDerWaalsContact C-N 3.34Å; L462-Y464 PolarHBondContact O-N 3.3Å; Y464-L466 PolarHBondContact O-N 3.07Å; Y464-T467 PolarHBondContact O-N 3.45Å; Y464-T467 PolarHBondContact O-OG1 3.17Å; Y464-T467 VanDerWaalsContact O-OG1 3.08Å; Y464-K468 VanDerWaalsContact O-CG 3.31Å; Y464-K468 WeakPolarHBondContact O-CG 3.23Å; Y464-K468 PolarHBondContact O-N 3.21Å; Y464-Y483 AromaticContact CD1-CD2 3.99Å; Y464-Y483 HydrophobicContact CD1-CD2 3.99Å; Y464-Y483 AromaticContact CD1-CE2 3.56Å; Y464-Y483 HydrophobicContact CD1-CE2 3.56Å; Y464-Y483 HydrophobicContact CE1-CE2 4.33Å; Y464-Y483 HydrophobicContact CG-CD2 4.44Å; Y464-Y483 AromaticContact CG-CE2 3.87Å; Y464-Y483 HydrophobicContact CG-CE2 3.87Å; Y464-W486 HydrophobicContact CD1-CH2 4.42Å; Y464-W486 AromaticContact CD1-CZ3 3.95Å; Y464-W486 HydrophobicContact CD1-CZ3 3.95Å; Y464-W486 AromaticContact CE1-CH2 3.94Å; Y464-W486 HydrophobicContact CE1-CH2 3.94Å; Y464-W486 AromaticContact CE1-CZ3 3.88Å; Y464-W486 HydrophobicContact CE1-CZ3 3.88Å; Y464-R496 VanDerWaalsContact OH-CZ 3.28Å; Y464-R496 PolarHBondContact OH-NE 2.92Å; Y464-R496 PolarHBondContact OH-NH2 3.4Å; Y464-A498 HydrophobicContact CE2-CB 4.31Å; Y464-P499 HydrophobicContact CD1-CG 4.27Å; Y464-P499 HydrophobicContact CE1-CB 4.09Å; Y464-P499 HydrophobicContact CE1-CG 4.02Å; Y464-P499 PolarHBondContact OH-O 2.73Å; Y464-I501 HydrophobicContact CD1-CD1 4.37Å; Y464-I501 HydrophobicContact CE1-CD1 3.66Å; Y464-I501 HydrophobicContact CE1-CG1 4.03Å; Y464-I501 HydrophobicContact CE2-CD1 4.09Å
465D98.4Very high98Very high71 Ų7130 Ų3038%0.3816%0.162SC..Hα-helixtrans-71-32.5-178.4-70.1-17.7000113T461 L462 K468 Q469T461-D465 PolarHBondContact O-N 2.89Å; L462-D465 PolarHBondContact O-N 3.46Å; D465-K468 IonicContact OD1-NZ 3.59Å; D465-K468 PolarHBondContact OD1-NZ 3.49Å; D465-Q469 PolarHBondContact O-NE2 3.23Å
466L98.6Very high97.9Very high0 Ų032.7 Ų32.70%019%0.19CC..Hα-helixtrans-68.4-46.1172.517663.4000111.7L52 L462 Y464 K468 Q469 I470 V568 G571 L572 L575L52-L466 HydrophobicContact CD1-CD1 4.37Å; L462-L466 VanDerWaalsContact O-CB 3.25Å; L462-L466 WeakPolarHBondContact O-CB 3.39Å; L462-L466 PolarHBondContact O-N 3.49Å; Y464-L466 PolarHBondContact O-N 3.07Å; L466-K468 PolarHBondContact O-N 2.96Å; L466-Q469 WeakPolarHBondContact O-CB 3.48Å; L466-Q469 PolarHBondContact O-N 2.94Å; L466-I470 HydrophobicContact CD1-CD1 4.18Å; L466-I470 HydrophobicContact CG-CD1 3.98Å; L466-I470 PolarHBondContact O-N 2.78Å; L466-V568 WeakPolarHBondContact CD2-O 3.44Å; L466-G571 VanDerWaalsContact CD2-C 3.48Å; L466-L572 HydrophobicContact CD2-CB 4.49Å; L466-L572 HydrophobicContact CD2-CD2 3.96Å; L466-L572 HydrophobicContact CD2-CG 3.83Å; L466-L572 VanDerWaalsContact CD2-N 3.32Å; L466-L575 HydrophobicContact CB-CD1 4.34Å; L466-L575 HydrophobicContact CD1-CD1 4.11Å
467T98.8Very high97.8Very high0 Ų033.2 Ų33.20%019%0.193CC..Hα-helixtrans-68.1-21.6-176.948.60000113.2L451 V463 Y464 Q469 L482 Y483 V568L451-T467 HydrophobicContact CD2-CG2 3.87Å; V463-T467 HydrophobicContact CG1-CG2 4.49Å; V463-T467 WeakPolarHBondContact O-CB 3.2Å; V463-T467 VanDerWaalsContact O-CG2 3.3Å; V463-T467 WeakPolarHBondContact O-CG2 3.47Å; V463-T467 PolarHBondContact O-N 2.87Å; V463-T467 PolarHBondContact O-OG1 3.4Å; Y464-T467 PolarHBondContact O-N 3.45Å; Y464-T467 PolarHBondContact O-OG1 3.17Å; Y464-T467 VanDerWaalsContact O-OG1 3.08Å; T467-Q469 PolarHBondContact O-N 2.71Å; T467-L482 HydrophobicContact CG2-CD2 4.25Å; T467-L482 PolarHBondContact O-N 3.25Å; T467-Y483 PolarHBondContact O-N 3.03Å; T467-V568 HydrophobicContact CG2-CG2 4.04Å
468K98.4Very high97.7Very high99 Ų9940.3 Ų40.343%0.4323%0.226SC..THydrogen-bonded Turntrans-67.9-23.6168.7-69.7167.1-163.3160.70113Y464 D465 L466 S481 Y483Y464-K468 VanDerWaalsContact O-CG 3.31Å; Y464-K468 WeakPolarHBondContact O-CG 3.23Å; Y464-K468 PolarHBondContact O-N 3.21Å; D465-K468 IonicContact OD1-NZ 3.59Å; D465-K468 PolarHBondContact OD1-NZ 3.49Å; L466-K468 PolarHBondContact O-N 2.96Å; K468-S481 WeakPolarHBondContact O-CB 3.37Å; K468-Y483 HydrophobicContact CG-CD1 4.05Å; K468-Y483 HydrophobicContact CG-CD2 4.09Å; K468-Y483 HydrophobicContact CG-CG 3.66Å
469Q97Very high97.4Very high106 Ų10644 Ų4450%0.49527%0.265SS..THydrogen-bonded Turntrans-93.7-6.2-178.9-65.1172.472.100113.2D465 L466 T467D465-Q469 PolarHBondContact O-NE2 3.23Å; L466-Q469 WeakPolarHBondContact O-CB 3.48Å; L466-Q469 PolarHBondContact O-N 2.94Å; T467-Q469 PolarHBondContact O-N 2.71Å
470I98.3Very high97.4Very high4 Ų446.1 Ų46.12%0.02128%0.277CS..SBendtrans-103.5135.4179.4-64168.8000108.1L52 L466 S481 L482 Q567 V568L52-I470 HydrophobicContact CD1-CG1 4.48Å; L466-I470 HydrophobicContact CD1-CD1 4.18Å; L466-I470 HydrophobicContact CG-CD1 3.98Å; L466-I470 PolarHBondContact O-N 2.78Å; I470-S481 CarbonylContact O-C 3.54Å; I470-S481 WeakPolarHBondContact O-CA 3.46Å; I470-L482 HydrophobicContact CB-CB 4.16Å; I470-L482 HydrophobicContact CB-CD2 4.33Å; I470-L482 HydrophobicContact CG2-CB 4.1Å; I470-L482 HydrophobicContact CG2-CD2 3.89Å; I470-L482 WeakPolarHBondContact O-CB 3.38Å; I470-L482 PolarHBondContact O-N 2.94Å; I470-Q567 HydrophobicContact CD1-CB 3.83Å; I470-Q567 HydrophobicContact CG1-CB 4.18Å; I470-Q567 HydrophobicContact CG2-CB 4.29Å; I470-V568 HydrophobicContact CD1-CB 4.36Å; I470-V568 HydrophobicContact CD1-CG2 3.61Å
471S98.1Very high97.4Very high86 Ų8646.3 Ų46.360%0.60128%0.28SS*.BIsolated β-bridgetrans-72.6144.5175.4-54.10000111.7
472S98.4Very high97.5Very high15 Ų1544.3 Ų44.311%0.10527%0.268CS..PPolyproline II helixtrans-60.2134.6169.8-1760000110.3E474 E477 V480 S485S472-E474 VanDerWaalsContact C-N 3.3Å; S472-E474 PolarHBondContact OG-N 3.47Å; S472-E477 PolarHBondContact OG-OE2 3.19Å; S472-V480 WeakPolarHBondContact CB-O 3.4Å; S472-V480 PolarHBondContact N-O 3.3Å; S472-S485 WeakPolarHBondContact OG-CB 3.38Å; S472-S485 PolarHBondContact OG-OG 3.03Å; S472-S485 VanDerWaalsContact OG-OG 3.11Å
473P97.6Very high97.5Very high14 Ų1445.7 Ų45.79%0.09127%0.273CS..  trans-85.7-0.9174.236.4-37.1000113.1Y526 R560 R561 A564P473-Y526 VanDerWaalsContact CD-OH 3.24Å; P473-Y526 WeakPolarHBondContact CD-OH 3.33Å; P473-Y526 HydrophobicContact CG-CE2 4.03Å; P473-Y526 WeakPolarHBondContact CG-OH 3.35Å; P473-R560 HydrophobicContact CB-CB 3.75Å; P473-R560 WeakPolarHBondContact CB-O 3.42Å; P473-R561 HydrophobicContact CB-CG 4.22Å; P473-R561 HydrophobicContact CG-CG 3.97Å; P473-A564 HydrophobicContact CB-CB 4.21Å; P473-A564 HydrophobicContact CG-CB 3.85Å
474E97.3Very high97.4Very high18 Ų1850.6 Ų50.68%0.08430%0.296CS..SBendtrans-80.4139.8-174.3-56.3-54.8133.100112.4S472 E477 Y526 R561S472-E474 VanDerWaalsContact C-N 3.3Å; S472-E474 PolarHBondContact OG-N 3.47Å; E474-E477 HydrophobicContact CB-CB 4.39Å; E474-E477 HydrophobicContact CB-CG 4.19Å; E474-E477 PolarHBondContact O-N 3.05Å; E474-Y526 WeakPolarHBondContact OE1-CE1 3.44Å; E474-Y526 VanDerWaalsContact OE1-CZ 3.31Å; E474-Y526 PolarHBondContact OE1-OH 3.02Å; E474-R561 IonicContact OE1-CZ 3.82Å; E474-R561 IonicContact OE1-NE 3.65Å; E474-R561 PolarHBondContact OE1-NE 2.82Å; E474-R561 IonicContact OE1-NH2 2.78Å; E474-R561 IonicContact OE2-CZ 3.27Å; E474-R561 IonicContact OE2-NE 2.94Å; E474-R561 PolarHBondContact OE2-NE 3.35Å; E474-R561 IonicContact OE2-NH2 2.77Å; E474-R561 PolarHBondContact OE2-NH2 3.19Å
475D93.9Very high97.4Very high123 Ų12350 Ų5066%0.65829%0.293SS*.THydrogen-bonded Turntrans-64.2136.2178.2-64.1-38.6000111.1E477 R560D475-E477 VanDerWaalsContact C-N 3.29Å; D475-R560 IonicContact OD1-NH1 3.23Å; D475-R560 PolarHBondContact OD1-NH1 3.36Å
476G95.2Very high97.4Very high62 Ų6246.6 Ų46.664%0.63928%0.275SS*.THydrogen-bonded Turntrans7810.6-176.100000114.5E478G476-E478 VanDerWaalsContact C-OE2 3.27Å; G476-E478 VanDerWaalsContact CA-OE2 3.25Å; G476-E478 WeakPolarHBondContact CA-OE2 3.41Å; G476-E478 PolarHBondContact N-OE1 3.33Å
477E96.9Very high97.4Very high11 Ų1148.6 Ų48.65%0.05128%0.284CS..  trans-114.734.6173.5-62.7-163.9161.500112.1S472 E474 D475 G479 V480 S485 K488 R489S472-E477 PolarHBondContact OG-OE2 3.19Å; E474-E477 HydrophobicContact CB-CB 4.39Å; E474-E477 HydrophobicContact CB-CG 4.19Å; E474-E477 PolarHBondContact O-N 3.05Å; D475-E477 VanDerWaalsContact C-N 3.29Å; E477-G479 PolarHBondContact O-N 3.25Å; E477-V480 HydrophobicContact CB-CB 3.96Å; E477-V480 HydrophobicContact CB-CG2 3.97Å; E477-V480 VanDerWaalsContact O-CB 3.31Å; E477-V480 WeakPolarHBondContact O-CB 3.43Å; E477-V480 PolarHBondContact O-N 2.79Å; E477-S485 WeakPolarHBondContact OE2-CB 3.39Å; E477-S485 PolarHBondContact OE2-OG 2.92Å; E477-K488 IonicContact OE1-NZ 2.62Å; E477-R489 VanDerWaalsContact CD-NH1 3.3Å; E477-R489 IonicContact OE1-CZ 3.71Å; E477-R489 IonicContact OE1-NH1 2.73Å; E477-R489 PolarHBondContact OE1-NH1 3.32Å; E477-R489 IonicContact OE1-NH2 3.31Å; E477-R489 PolarHBondContact OE1-NH2 2.8Å; E477-R489 IonicContact OE2-CZ 2.72Å; E477-R489 IonicContact OE2-NH1 3.8Å; E477-R489 PolarHBondContact OE2-NH1 3.37Å; E477-R489 VanDerWaalsContact OE2-NH1 3.11Å; E477-R489 IonicContact OE2-NH2 3.99Å; E477-R489 PolarHBondContact OE2-NH2 3.46Å
478E94.3Very high97.2Very high151 Ų15155.6 Ų55.671%0.70632%0.315SS*.THydrogen-bonded Turntrans-59.8126.4176.5-62.977.8-168.900111.1G476 V480G476-E478 VanDerWaalsContact C-OE2 3.27Å; G476-E478 VanDerWaalsContact CA-OE2 3.25Å; G476-E478 WeakPolarHBondContact CA-OE2 3.41Å; G476-E478 PolarHBondContact N-OE1 3.33Å; E478-V480 PolarHBondContact O-N 2.86Å
479G93.9Very high97.1Very high84 Ų8452.5 Ų52.587%0.86630%0.3SS*.THydrogen-bonded Turntrans80.1-2.3-177.400000115E477E477-G479 PolarHBondContact O-N 3.25Å
480V98.2Very high97Very high44 Ų4448.5 Ų48.527%0.26728%0.282SS..  trans-85138.8174.1-176.20000109.5S472 E477 E478 E484S472-V480 WeakPolarHBondContact CB-O 3.4Å; S472-V480 PolarHBondContact N-O 3.3Å; E477-V480 HydrophobicContact CB-CB 3.96Å; E477-V480 HydrophobicContact CB-CG2 3.97Å; E477-V480 VanDerWaalsContact O-CB 3.31Å; E477-V480 WeakPolarHBondContact O-CB 3.43Å; E477-V480 PolarHBondContact O-N 2.79Å; E478-V480 PolarHBondContact O-N 2.86Å; V480-E484 HydrophobicContact CG1-CB 3.65Å
481S98.6Very high96.8Very high16 Ų1650.3 Ų50.311%0.11229%0.292CS..BIsolated β-bridgetrans-74.6155173.5660000111.9K468 I470 Y483 E484 S485K468-S481 WeakPolarHBondContact O-CB 3.37Å; I470-S481 CarbonylContact O-C 3.54Å; I470-S481 WeakPolarHBondContact O-CA 3.46Å; S481-Y483 PolarHBondContact O-N 2.78Å; S481-E484 WeakPolarHBondContact CB-OE2 3.48Å; S481-E484 PolarHBondContact N-OE2 3.49Å; S481-E484 PolarHBondContact O-N 3.49Å; S481-E484 VanDerWaalsContact OG-CD 3.25Å; S481-E484 VanDerWaalsContact OG-CG 3.24Å; S481-E484 WeakPolarHBondContact OG-CG 3.48Å; S481-E484 PolarHBondContact OG-N 3.37Å; S481-E484 PolarHBondContact OG-OE2 2.88Å; S481-S485 WeakPolarHBondContact O-CB 3.24Å; S481-S485 PolarHBondContact O-N 3.1Å
482L98.7Very high96.1Very high0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-60.7-33173.6-178.560.4000110.9L451 T467 I470 W486 Y526 A564 V568L451-L482 HydrophobicContact CB-CD1 4.37Å; L451-L482 HydrophobicContact CD2-CD2 4.02Å; L451-L482 HydrophobicContact CD2-CG 4.21Å; T467-L482 HydrophobicContact CG2-CD2 4.25Å; T467-L482 PolarHBondContact O-N 3.25Å; I470-L482 HydrophobicContact CB-CB 4.16Å; I470-L482 HydrophobicContact CB-CD2 4.33Å; I470-L482 HydrophobicContact CG2-CB 4.1Å; I470-L482 HydrophobicContact CG2-CD2 3.89Å; I470-L482 WeakPolarHBondContact O-CB 3.38Å; I470-L482 PolarHBondContact O-N 2.94Å; L482-W486 WeakPolarHBondContact O-CB 2.88Å; L482-W486 PolarHBondContact O-N 3.46Å; L482-Y526 HydrophobicContact CD1-CE2 4.38Å; L482-A564 HydrophobicContact CD2-CB 4.4Å; L482-V568 HydrophobicContact CD2-CG2 3.54Å
483Y98.7Very high94.9Very high40 Ų4053 Ų5316%0.15730%0.297CS..Hα-helixtrans-59.8-50.2172.7178.7-87.7000112.3Y464 T467 K468 S481 W486 H487 P499Y464-Y483 AromaticContact CD1-CD2 3.99Å; Y464-Y483 HydrophobicContact CD1-CD2 3.99Å; Y464-Y483 AromaticContact CD1-CE2 3.56Å; Y464-Y483 HydrophobicContact CD1-CE2 3.56Å; Y464-Y483 HydrophobicContact CE1-CE2 4.33Å; Y464-Y483 HydrophobicContact CG-CD2 4.44Å; Y464-Y483 AromaticContact CG-CE2 3.87Å; Y464-Y483 HydrophobicContact CG-CE2 3.87Å; T467-Y483 PolarHBondContact O-N 3.03Å; K468-Y483 HydrophobicContact CG-CD1 4.05Å; K468-Y483 HydrophobicContact CG-CD2 4.09Å; K468-Y483 HydrophobicContact CG-CG 3.66Å; S481-Y483 PolarHBondContact O-N 2.78Å; Y483-W486 PolarHBondContact O-N 3.38Å; Y483-H487 VanDerWaalsContact O-CB 3.26Å; Y483-H487 WeakPolarHBondContact O-CB 3.09Å; Y483-H487 PolarHBondContact O-N 2.75Å; Y483-P499 HydrophobicContact CD2-CG 3.77Å; Y483-P499 HydrophobicContact CE1-CG 4.49Å; Y483-P499 HydrophobicContact CE2-CG 3.53Å; Y483-P499 HydrophobicContact CG-CG 4.36Å; Y483-P499 WeakPolarHBondContact OH-CD 3.48Å
484E98.5Very high93.7Very high105 Ų10559.8 Ų59.849%0.49133%0.333SS..Hα-helixtrans-65.9-42.2179.9-71.2160.814100111.4V480 S481 W486 H487 K488V480-E484 HydrophobicContact CG1-CB 3.65Å; S481-E484 WeakPolarHBondContact CB-OE2 3.48Å; S481-E484 PolarHBondContact N-OE2 3.49Å; S481-E484 PolarHBondContact O-N 3.49Å; S481-E484 VanDerWaalsContact OG-CD 3.25Å; S481-E484 VanDerWaalsContact OG-CG 3.24Å; S481-E484 WeakPolarHBondContact OG-CG 3.48Å; S481-E484 PolarHBondContact OG-N 3.37Å; S481-E484 PolarHBondContact OG-OE2 2.88Å; E484-W486 VanDerWaalsContact C-N 3.32Å; E484-W486 PolarHBondContact O-N 3.31Å; E484-H487 PolarHBondContact O-N 3.36Å; E484-K488 VanDerWaalsContact O-CB 3.3Å; E484-K488 WeakPolarHBondContact O-CB 3.49Å; E484-K488 PolarHBondContact O-N 2.78Å
485S98.5Very high92.5Very high0 Ų062.5 Ų62.50%035%0.348CS..Hα-helixtrans-58.2-43.9174.5-178.90000112.3S472 E477 S481 R489S472-S485 WeakPolarHBondContact OG-CB 3.38Å; S472-S485 PolarHBondContact OG-OG 3.03Å; S472-S485 VanDerWaalsContact OG-OG 3.11Å; E477-S485 WeakPolarHBondContact OE2-CB 3.39Å; E477-S485 PolarHBondContact OE2-OG 2.92Å; S481-S485 WeakPolarHBondContact O-CB 3.24Å; S481-S485 PolarHBondContact O-N 3.1Å; S485-R489 WeakPolarHBondContact O-CG 3.48Å; S485-R489 PolarHBondContact O-N 2.94Å; S485-R489 PolarHBondContact O-NH1 2.98Å; S485-R489 PolarHBondContact OG-NH1 2.89Å
486W98.4Very high92.1Very high0 Ų059.2 Ų59.20%033%0.327CS..Hα-helixtrans-70.4-46.7178.1177.926.5000111.9L451 V453 V463 Y464 L482 Y483 E484 K488 R489 D490 P499 R500 I501L451-W486 HydrophobicContact CB-CB 4.36Å; L451-W486 HydrophobicContact CB-CD2 4.34Å; L451-W486 HydrophobicContact CB-CG 4.09Å; L451-W486 HydrophobicContact CD2-CD2 4.17Å; L451-W486 HydrophobicContact CD2-CE3 3.97Å; L451-W486 HydrophobicContact CD2-CZ3 4.33Å; L451-W486 PolarHBondContact O-NE1 3.37Å; V453-W486 HydrophobicContact CB-CH2 3.9Å; V453-W486 HydrophobicContact CB-CZ2 4.06Å; V453-W486 HydrophobicContact CG2-CH2 3.69Å; V453-W486 HydrophobicContact CG2-CZ2 3.98Å; V453-W486 HydrophobicContact CG2-CZ3 4.27Å; V463-W486 HydrophobicContact CG1-CH2 4.01Å; V463-W486 HydrophobicContact CG1-CZ3 3.89Å; Y464-W486 HydrophobicContact CD1-CH2 4.42Å; Y464-W486 AromaticContact CD1-CZ3 3.95Å; Y464-W486 HydrophobicContact CD1-CZ3 3.95Å; Y464-W486 AromaticContact CE1-CH2 3.94Å; Y464-W486 HydrophobicContact CE1-CH2 3.94Å; Y464-W486 AromaticContact CE1-CZ3 3.88Å; Y464-W486 HydrophobicContact CE1-CZ3 3.88Å; L482-W486 WeakPolarHBondContact O-CB 2.88Å; L482-W486 PolarHBondContact O-N 3.46Å; Y483-W486 PolarHBondContact O-N 3.38Å; E484-W486 VanDerWaalsContact C-N 3.32Å; E484-W486 PolarHBondContact O-N 3.31Å; W486-K488 VanDerWaalsContact C-N 3.33Å; W486-K488 PolarHBondContact O-N 2.93Å; W486-R489 PolarHBondContact O-N 3.34Å; W486-D490 PolarHBondContact O-N 3.02Å; W486-P499 HydrophobicContact CB-CB 4.42Å; W486-P499 HydrophobicContact CD2-CB 3.13Å; W486-P499 HydrophobicContact CD2-CG 3.82Å; W486-P499 HydrophobicContact CE3-CB 3.31Å; W486-P499 HydrophobicContact CE3-CG 3.58Å; W486-P499 HydrophobicContact CG-CB 3.65Å; W486-P499 HydrophobicContact CG-CG 4.26Å; W486-P499 HydrophobicContact CH2-CB 3.86Å; W486-P499 HydrophobicContact CZ2-CB 3.71Å; W486-P499 HydrophobicContact CZ3-CB 3.67Å; W486-P499 HydrophobicContact CZ3-CG 4.02Å; W486-R500 WeakPolarHBondContact CZ2-O 3.43Å; W486-I501 HydrophobicContact CH2-CD1 4.25Å; W486-I501 HydrophobicContact CH2-CG1 3.63Å; W486-I501 HydrophobicContact CZ2-CG1 4.09Å
487H97.4Very high91.9Very high42 Ų4262.6 Ų62.619%0.19433%0.33CS..Hα-helixtrans-55-47.5176.3177.2-87.7000111.8Y483 E484 R489 N491 D497 P499Y483-H487 VanDerWaalsContact O-CB 3.26Å; Y483-H487 WeakPolarHBondContact O-CB 3.09Å; Y483-H487 PolarHBondContact O-N 2.75Å; E484-H487 PolarHBondContact O-N 3.36Å; H487-R489 PolarHBondContact O-N 3.4Å; H487-N491 WeakPolarHBondContact O-CB 3.41Å; H487-D497 IonicContact CD2-OD1 3.27Å; H487-D497 IonicContact CE1-OD1 3.95Å; H487-D497 PolarHBondContact CE1-OD1 3.16Å; H487-D497 IonicContact NE2-OD1 2.61Å; H487-D497 PolarHBondContact NE2-OD1 2.97Å; H487-P499 HydrophobicContact CB-CG 3.92Å
488K95.8Very high91.8Very high148 Ų14862.4 Ų62.464%0.64333%0.33SS*.Hα-helixtrans-58.3-32.7178.2179.1-178.3172.9-170.90112.9E477 E484 W486E477-K488 IonicContact OE1-NZ 2.62Å; E484-K488 VanDerWaalsContact O-CB 3.3Å; E484-K488 WeakPolarHBondContact O-CB 3.49Å; E484-K488 PolarHBondContact O-N 2.78Å; W486-K488 VanDerWaalsContact C-N 3.33Å; W486-K488 PolarHBondContact O-N 2.93Å
489R96Very high91.9Very high34 Ų3455.2 Ų55.213%0.12830%0.297CS..Hα-helixtrans-98.7-39.8-171.2-72-178.4-179.567.9-2.6113.4Y449 T450 E477 S485 W486 H487Y449-R489 HydrophobicContact CD1-CB 4.28Å; Y449-R489 HydrophobicContact CE1-CB 3.56Å; Y449-R489 HydrophobicContact CE1-CG 4Å; Y449-R489 HydrophobicContact CE2-CG 4.1Å; Y449-R489 WeakPolarHBondContact O-CD 3.49Å; Y449-R489 PolarHBondContact O-NE 3.42Å; T450-R489 HydrophobicContact CG2-CB 4.08Å; E477-R489 VanDerWaalsContact CD-NH1 3.3Å; E477-R489 IonicContact OE1-CZ 3.71Å; E477-R489 IonicContact OE1-NH1 2.73Å; E477-R489 PolarHBondContact OE1-NH1 3.32Å; E477-R489 IonicContact OE1-NH2 3.31Å; E477-R489 PolarHBondContact OE1-NH2 2.8Å; E477-R489 IonicContact OE2-CZ 2.72Å; E477-R489 IonicContact OE2-NH1 3.8Å; E477-R489 PolarHBondContact OE2-NH1 3.37Å; E477-R489 VanDerWaalsContact OE2-NH1 3.11Å; E477-R489 IonicContact OE2-NH2 3.99Å; E477-R489 PolarHBondContact OE2-NH2 3.46Å; S485-R489 WeakPolarHBondContact O-CG 3.48Å; S485-R489 PolarHBondContact O-N 2.94Å; S485-R489 PolarHBondContact O-NH1 2.98Å; S485-R489 PolarHBondContact OG-NH1 2.89Å; W486-R489 PolarHBondContact O-N 3.34Å; H487-R489 PolarHBondContact O-N 3.4Å
490D95.4Very high92Very high21 Ų2154.2 Ų54.211%0.11227%0.267CS..SBendtrans-143.988.9178.6-170.214.2000111.7T450 W486 P499 R500T450-D490 HydrophobicContact CG2-CB 4.16Å; W486-D490 PolarHBondContact O-N 3.02Å; D490-P499 WeakPolarHBondContact O-CA 3.32Å; D490-R500 PolarHBondContact O-N 3.4Å; D490-R500 WeakPolarHBondContact OD1-CD 3.25Å; D490-R500 IonicContact OD1-NE 2.81Å; D490-R500 PolarHBondContact OD1-NE 2.99Å
491N92.1Very high91.9Very high43 Ų4352.3 Ų52.323%0.2326%0.255CS..BIsolated β-bridgetrans-107.6166.4171.161.212.7000112.7H487 T493 A498 R500H487-N491 WeakPolarHBondContact O-CB 3.41Å; N491-T493 PolarHBondContact O-N 3.46Å; N491-A498 WeakPolarHBondContact CA-O 3.27Å; N491-A498 WeakPolarHBondContact CB-O 3.48Å; N491-R500 PolarHBondContact O-NH2 3.27Å
492W83.7Confident91.7Very high62 Ų6252.9 Ų52.924%0.23526%0.259CS..  trans-67.4126.7165-66105000109.6D495 R496 A498 P499 R500 I501W492-D495 HydrophobicContact CB-CB 4.16Å; W492-D495 HydrophobicContact CE3-CB 4.43Å; W492-D495 HydrophobicContact CG-CB 4.45Å; W492-R496 HydrophobicContact CB-CG 4.17Å; W492-R496 WeakPolarHBondContact CB-O 3.45Å; W492-R496 VanDerWaalsContact CD1-CG 3.43Å; W492-R496 HydrophobicContact CG-CG 3.92Å; W492-A498 VanDerWaalsContact CD1-O 3.31Å; W492-A498 PolarHBondContact N-O 3.04Å; W492-A498 VanDerWaalsContact N-O 3.1Å; W492-P499 PolarHBondContact NE1-O 3.46Å; W492-R500 HydrophobicContact CD2-CB 4.5Å; W492-R500 HydrophobicContact CD2-CG 4.23Å; W492-R500 HydrophobicContact CE3-CG 4.31Å; W492-R500 VanDerWaalsContact CE3-NH1 3.34Å; W492-R500 HydrophobicContact CH2-CG 4.07Å; W492-R500 HydrophobicContact CZ2-CG 4Å; W492-R500 HydrophobicContact CZ3-CG 4.23Å; W492-R500 VanDerWaalsContact CZ3-NH1 3.29Å; W492-I501 WeakPolarHBondContact CZ2-O 3.45Å
493T74.3Confident91.4Very high94 Ų9456.4 Ų56.458%0.57727%0.274SS*.SBendtrans-84.7-29-175.748.90000113.2N491N491-T493 PolarHBondContact O-N 3.46Å
494N72.6Confident91Very high158 Ų15854.6 Ų54.685%0.84527%0.268SS*.SBendtrans-133.55.8-169.4-59-14.5000113.8
495D71.4Confident90.2Very high75 Ų7549.9 Ų49.940%0.40125%0.247SC..SBendtrans-121.4-57.2-165.9-173.87.7000112.5W492 K595W492-D495 HydrophobicContact CB-CB 4.16Å; W492-D495 HydrophobicContact CE3-CB 4.43Å; W492-D495 HydrophobicContact CG-CB 4.45Å; D495-K595 WeakPolarHBondContact OD1-CE 3.32Å; D495-K595 IonicContact OD1-NZ 2.82Å; D495-K595 PolarHBondContact OD1-NZ 2.71Å; D495-K595 WeakPolarHBondContact OD2-CE 3.48Å; D495-K595 IonicContact OD2-NZ 3.7Å; D495-K595 PolarHBondContact OD2-NZ 2.96Å
496R84.6Confident89.5Confident54 Ų5450.7 Ų50.720%0.20425%0.253CS..  trans-149.7155.8178.461.8173.6178.5-164-4111.8H460 Y464 W492 A498 E588H460-R496 PolarHBondContact ND1-NH2 3.07Å; Y464-R496 VanDerWaalsContact OH-CZ 3.28Å; Y464-R496 PolarHBondContact OH-NE 2.92Å; Y464-R496 PolarHBondContact OH-NH2 3.4Å; W492-R496 HydrophobicContact CB-CG 4.17Å; W492-R496 WeakPolarHBondContact CB-O 3.45Å; W492-R496 VanDerWaalsContact CD1-CG 3.43Å; W492-R496 HydrophobicContact CG-CG 3.92Å; R496-A498 HydrophobicContact CG-CB 3.94Å; R496-A498 PolarHBondContact O-N 2.94Å; R496-E588 IonicContact CZ-OE2 2.85Å; R496-E588 IonicContact NH1-OE1 3.98Å; R496-E588 PolarHBondContact NH1-OE1 2.98Å; R496-E588 IonicContact NH1-OE2 3.37Å; R496-E588 PolarHBondContact NH1-OE2 3.19Å; R496-E588 IonicContact NH2-OE2 3.71Å
497D92.2Very high88.8Confident132 Ų13252 Ų5271%0.70627%0.266SS*.SBendtrans-80.970.1173-170.627.6000111.2H487H487-D497 IonicContact CD2-OD1 3.27Å; H487-D497 IonicContact CE1-OD1 3.95Å; H487-D497 PolarHBondContact CE1-OD1 3.16Å; H487-D497 IonicContact NE2-OD1 2.61Å; H487-D497 PolarHBondContact NE2-OD1 2.97Å
498A94.8Very high88.7Confident8 Ų850 Ų507%0.06626%0.257CS..SBendtrans-152.3158.5-179.500000111.5Y464 N491 W492 R496Y464-A498 HydrophobicContact CE2-CB 4.31Å; N491-A498 WeakPolarHBondContact CA-O 3.27Å; N491-A498 WeakPolarHBondContact CB-O 3.48Å; W492-A498 VanDerWaalsContact CD1-O 3.31Å; W492-A498 PolarHBondContact N-O 3.04Å; W492-A498 VanDerWaalsContact N-O 3.1Å; R496-A498 HydrophobicContact CG-CB 3.94Å; R496-A498 PolarHBondContact O-N 2.94Å
499P96.5Very high88.9Confident0 Ų043 Ų430%023%0.227CC..BIsolated β-bridgetrans-58.5149.9172.1-15.823.6000113Y464 Y483 W486 H487 D490 W492 I501Y464-P499 HydrophobicContact CD1-CG 4.27Å; Y464-P499 HydrophobicContact CE1-CB 4.09Å; Y464-P499 HydrophobicContact CE1-CG 4.02Å; Y464-P499 PolarHBondContact OH-O 2.73Å; Y483-P499 HydrophobicContact CD2-CG 3.77Å; Y483-P499 HydrophobicContact CE1-CG 4.49Å; Y483-P499 HydrophobicContact CE2-CG 3.53Å; Y483-P499 HydrophobicContact CG-CG 4.36Å; Y483-P499 WeakPolarHBondContact OH-CD 3.48Å; W486-P499 HydrophobicContact CB-CB 4.42Å; W486-P499 HydrophobicContact CD2-CB 3.13Å; W486-P499 HydrophobicContact CD2-CG 3.82Å; W486-P499 HydrophobicContact CE3-CB 3.31Å; W486-P499 HydrophobicContact CE3-CG 3.58Å; W486-P499 HydrophobicContact CG-CB 3.65Å; W486-P499 HydrophobicContact CG-CG 4.26Å; W486-P499 HydrophobicContact CH2-CB 3.86Å; W486-P499 HydrophobicContact CZ2-CB 3.71Å; W486-P499 HydrophobicContact CZ3-CB 3.67Å; W486-P499 HydrophobicContact CZ3-CG 4.02Å; H487-P499 HydrophobicContact CB-CG 3.92Å; D490-P499 WeakPolarHBondContact O-CA 3.32Å; W492-P499 PolarHBondContact NE1-O 3.46Å; P499-I501 PolarHBondContact O-N 3.29Å
500R95.8Very high89Confident62 Ų6241.5 Ų41.523%0.23422%0.221CC..PPolyproline II helixtrans-78.3116.3-175.5-176.5-174.7-59.1-83.8-6.9112.4W486 D490 N491 W492W486-R500 WeakPolarHBondContact CZ2-O 3.43Å; D490-R500 PolarHBondContact O-N 3.4Å; D490-R500 WeakPolarHBondContact OD1-CD 3.25Å; D490-R500 IonicContact OD1-NE 2.81Å; D490-R500 PolarHBondContact OD1-NE 2.99Å; N491-R500 PolarHBondContact O-NH2 3.27Å; W492-R500 HydrophobicContact CD2-CB 4.5Å; W492-R500 HydrophobicContact CD2-CG 4.23Å; W492-R500 HydrophobicContact CE3-CG 4.31Å; W492-R500 VanDerWaalsContact CE3-NH1 3.34Å; W492-R500 HydrophobicContact CH2-CG 4.07Å; W492-R500 HydrophobicContact CZ2-CG 4Å; W492-R500 HydrophobicContact CZ3-CG 4.23Å; W492-R500 VanDerWaalsContact CZ3-NH1 3.29Å
501I96Very high89.1Confident5 Ų541 Ų413%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-98.6129.8166.9-64.1174.4000109.1V453 C455 H460 V463 Y464 W486 W492 P499V453-I501 HydrophobicContact CB-CG1 4.37Å; V453-I501 HydrophobicContact CG1-CG1 4.5Å; V453-I501 HydrophobicContact CG1-CG2 4.4Å; C455-I501 VanDerWaalsContact SG-CG2 3.57Å; H460-I501 HydrophobicContact CB-CD1 4.03Å; H460-I501 VanDerWaalsContact CD2-CD1 3.46Å; H460-I501 WeakPolarHBondContact CD2-CD1 3.31Å; H460-I501 WeakPolarHBondContact NE2-CG2 3.39Å; V463-I501 HydrophobicContact CB-CD1 4.3Å; V463-I501 HydrophobicContact CG1-CD1 4.17Å; Y464-I501 HydrophobicContact CD1-CD1 4.37Å; Y464-I501 HydrophobicContact CE1-CD1 3.66Å; Y464-I501 HydrophobicContact CE1-CG1 4.03Å; Y464-I501 HydrophobicContact CE2-CD1 4.09Å; W486-I501 HydrophobicContact CH2-CD1 4.25Å; W486-I501 HydrophobicContact CH2-CG1 3.63Å; W486-I501 HydrophobicContact CZ2-CG1 4.09Å; W492-I501 WeakPolarHBondContact CZ2-O 3.45Å; P499-I501 PolarHBondContact O-N 3.29Å
502S94.1Very high89.4Confident28 Ų2839.2 Ų39.220%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-95.2160.3180-63.30000111.7V453 D454 C455V453-S502 PolarHBondContact O-N 3.27Å; D454-S502 VanDerWaalsContact CA-O 3.23Å; D454-S502 WeakPolarHBondContact CA-O 3.49Å; D454-S502 WeakPolarHBondContact OD1-CB 3.49Å; C455-S502 PolarHBondContact N-O 2.95Å
503K93.1Very high90.1Very high73 Ų7336.2 Ų36.232%0.31720%0.198SC..PPolyproline II helixtrans-70.6149.6174.5-62.6-176.9-68.3-130.60110.9Y596 F681 G691K503-Y596 HydrophobicContact CD-CE1 3.92Å; K503-F681 HydrophobicContact CB-CE1 4.45Å; K503-F681 HydrophobicContact CD-CD1 4.13Å; K503-F681 HydrophobicContact CD-CE1 3.83Å; K503-F681 HydrophobicContact CG-CD1 4.44Å; K503-F681 HydrophobicContact CG-CE1 3.99Å; K503-G691 WeakPolarHBondContact CE-O 3.22Å
504L90.4Very high91.2Very high3 Ų331.8 Ų31.82%0.01617%0.171CC..PPolyproline II helixtrans-79.3132.1167-72.5173000110.4D454 F510 F514 A521 R523D454-L504 HydrophobicContact CB-CD2 3.8Å; D454-L504 HydrophobicContact CB-CG 4.46Å; D454-L504 WeakPolarHBondContact O-CD2 3.41Å; L504-F510 HydrophobicContact CB-CD2 4.37Å; L504-F510 HydrophobicContact CB-CE2 3.81Å; L504-F510 HydrophobicContact CB-CZ 4.48Å; L504-F510 HydrophobicContact CD1-CD2 4.26Å; L504-F510 HydrophobicContact CD1-CE2 4.47Å; L504-F510 HydrophobicContact CD2-CD1 4.44Å; L504-F510 HydrophobicContact CD2-CD2 3.97Å; L504-F510 HydrophobicContact CD2-CE1 4.17Å; L504-F510 HydrophobicContact CD2-CE2 3.65Å; L504-F510 HydrophobicContact CD2-CG 4.37Å; L504-F510 HydrophobicContact CD2-CZ 3.77Å; L504-F510 HydrophobicContact CG-CD2 4.45Å; L504-F510 HydrophobicContact CG-CE2 4.18Å; L504-F514 HydrophobicContact CB-CD1 3.77Å; L504-F514 HydrophobicContact CB-CE1 3.58Å; L504-F514 HydrophobicContact CB-CZ 4.37Å; L504-F514 HydrophobicContact CD1-CD1 4.01Å; L504-F514 HydrophobicContact CD1-CD2 4.48Å; L504-F514 HydrophobicContact CD1-CE1 4.16Å; L504-F514 HydrophobicContact CD1-CG 4.18Å; L504-F514 HydrophobicContact CD1-CZ 4.44Å; L504-A521 HydrophobicContact CD1-CB 3.71Å; L504-A521 VanDerWaalsContact CD1-O 3.26Å; L504-A521 WeakPolarHBondContact CD1-O 3.43Å; L504-R523 HydrophobicContact CD2-CG 4.35Å
505G80.8Confident92.4Very high5 Ų524.3 Ų24.35%0.05213%0.13CC..  trans-112.1-126.8171.700000110.7F510 I515 G691G505-F510 WeakPolarHBondContact O-CE2 3.49Å; G505-I515 WeakPolarHBondContact O-CD1 3.11Å; G505-G691 VanDerWaalsContact CA-CA 3.48Å
506S84.5Confident93.7Very high18 Ų1821.6 Ų21.613%0.12612%0.115CC..SBendtrans-108.1-162165-174.70000110.1E511 K688S506-E511 WeakPolarHBondContact CB-OE1 3.39Å; S506-E511 VanDerWaalsContact OG-CD 3.23Å; S506-E511 PolarHBondContact OG-OE1 3.4Å; S506-K688 WeakPolarHBondContact CB-O 3.39Å; S506-K688 PolarHBondContact N-O 3.48Å
507G83.9Confident94.3Very high28 Ų2819.3 Ų19.329%0.28911%0.106SC..SBendtrans93.717.7167.100000114.5
508S95.8Very high94.6Very high0 Ų013 Ų130%07%0.073CC..SBendtrans-165.8177.7160.6-163.70000109.7E413 L417 N440 D442 F510 E511E413-S508 WeakPolarHBondContact OE1-CA 3Å; L417-S508 WeakPolarHBondContact CD1-O 3.49Å; N440-S508 WeakPolarHBondContact ND2-CB 3.38Å; N440-S508 PolarHBondContact ND2-OG 2.97Å; D442-S508 WeakPolarHBondContact CB-OG 3.4Å; D442-S508 PolarHBondContact OD2-OG 3.07Å; S508-F510 PolarHBondContact O-N 3.1Å; S508-E511 PolarHBondContact O-N 3.26Å; S508-E511 VanDerWaalsContact O-N 3.15Å
509D98.3Very high94.8Very high0 Ų012.6 Ų12.60%07%0.069CC..THydrogen-bonded Turntrans-58.5-17.9-169.4-63.5-63.8000115.8H366 W410 E413 S420 Y438 E511 Y513H366-D509 IonicContact CD2-OD2 3.35Å; H366-D509 PolarHBondContact N-OD2 3.36Å; W410-D509 VanDerWaalsContact CD1-OD2 3.31Å; W410-D509 HydrophobicContact CG-CB 4.4Å; E413-D509 WeakPolarHBondContact CG-OD1 3.46Å; S420-D509 WeakPolarHBondContact CB-OD1 3.15Å; S420-D509 WeakPolarHBondContact OG-CB 3.48Å; S420-D509 PolarHBondContact OG-OD1 2.88Å; Y438-D509 VanDerWaalsContact OH-CB 3.31Å; Y438-D509 WeakPolarHBondContact OH-CB 3.36Å; D509-E511 PolarHBondContact O-N 3.38Å; D509-Y513 VanDerWaalsContact O-CD2 3.23Å; D509-Y513 WeakPolarHBondContact O-CD2 3.43Å; D509-Y513 WeakPolarHBondContact O-CE2 3.44Å
510F98.1Very high94.9Very high3 Ų312.7 Ų12.71%0.0137%0.07CC..Hα-helixtrans-64.8-15.8175.967.7-92.9000113.8Y438 N440 L504 G505 S508 A512 Y513 F514 A521Y438-F510 HydrophobicContact CD1-CB 3.62Å; Y438-F510 VanDerWaalsContact CE1-CA 3.46Å; Y438-F510 HydrophobicContact CE1-CB 3.53Å; N440-F510 HydrophobicContact CB-CB 4.2Å; N440-F510 HydrophobicContact CB-CD1 4.07Å; N440-F510 PolarHBondContact OD1-N 3.49Å; L504-F510 HydrophobicContact CB-CD2 4.37Å; L504-F510 HydrophobicContact CB-CE2 3.81Å; L504-F510 HydrophobicContact CB-CZ 4.48Å; L504-F510 HydrophobicContact CD1-CD2 4.26Å; L504-F510 HydrophobicContact CD1-CE2 4.47Å; L504-F510 HydrophobicContact CD2-CD1 4.44Å; L504-F510 HydrophobicContact CD2-CD2 3.97Å; L504-F510 HydrophobicContact CD2-CE1 4.17Å; L504-F510 HydrophobicContact CD2-CE2 3.65Å; L504-F510 HydrophobicContact CD2-CG 4.37Å; L504-F510 HydrophobicContact CD2-CZ 3.77Å; L504-F510 HydrophobicContact CG-CD2 4.45Å; L504-F510 HydrophobicContact CG-CE2 4.18Å; G505-F510 WeakPolarHBondContact O-CE2 3.49Å; S508-F510 PolarHBondContact O-N 3.1Å; F510-A512 PolarHBondContact O-N 2.87Å; F510-Y513 PolarHBondContact O-N 2.95Å; F510-F514 HydrophobicContact CD2-CB 4.35Å; F510-F514 WeakPolarHBondContact O-CB 3.25Å; F510-F514 PolarHBondContact O-N 3.19Å; F510-A521 HydrophobicContact CB-CB 4.42Å
511E97.9Very high95.1Very high10 Ų109.8 Ų9.85%0.0476%0.059CC..Hα-helixtrans-53-53-174.4-177.9179.6-113.400112.1G253 L417 S506 S508 D509 Y513 F514 I515 Y676G253-E511 WeakPolarHBondContact CA-OE2 3.38Å; L417-E511 HydrophobicContact CD1-CB 3.54Å; L417-E511 HydrophobicContact CD1-CG 4.23Å; L417-E511 WeakPolarHBondContact CD1-OE2 3.49Å; S506-E511 WeakPolarHBondContact CB-OE1 3.39Å; S506-E511 VanDerWaalsContact OG-CD 3.23Å; S506-E511 PolarHBondContact OG-OE1 3.4Å; S508-E511 PolarHBondContact O-N 3.26Å; S508-E511 VanDerWaalsContact O-N 3.15Å; D509-E511 PolarHBondContact O-N 3.38Å; E511-Y513 VanDerWaalsContact C-N 3.34Å; E511-Y513 PolarHBondContact O-N 2.76Å; E511-F514 PolarHBondContact O-N 3.34Å; E511-I515 HydrophobicContact CG-CD1 3.83Å; E511-I515 WeakPolarHBondContact O-CB 3.19Å; E511-I515 PolarHBondContact O-N 3.38Å; E511-Y676 HydrophobicContact CG-CE1 4.13Å; E511-Y676 VanDerWaalsContact OE1-CE1 3.27Å; E511-Y676 WeakPolarHBondContact OE1-CE1 3.38Å; E511-Y676 VanDerWaalsContact OE1-CZ 3.3Å; E511-Y676 PolarHBondContact OE1-OH 3Å
512A98.1Very high95.2Very high5 Ų59.6 Ų9.64%0.0416%0.059CC..Iπ-helixtrans-65.3-38-178.200000112T421 A424 F510 R516 L517T421-A512 HydrophobicContact CG2-CB 4.17Å; A424-A512 HydrophobicContact CB-CB 3.83Å; F510-A512 PolarHBondContact O-N 2.87Å; A512-R516 WeakPolarHBondContact O-CB 3.4Å; A512-R516 PolarHBondContact O-N 3.09Å; A512-L517 WeakPolarHBondContact O-CG 3.36Å; A512-L517 PolarHBondContact O-N 2.61Å
513Y98.8Very high95.4Very high0 Ų09 Ų90%05%0.052CC..Iπ-helixtrans-67.8-47.8180-61.3-92000111.3I362 W410 W423 A424 L431 Y438 D509 F510 E511 L517 G518 I519I362-Y513 HydrophobicContact CD1-CD1 4.3Å; I362-Y513 HydrophobicContact CD1-CE1 4.04Å; W410-Y513 WeakPolarHBondContact CH2-OH 3.44Å; W410-Y513 HydrophobicContact CZ2-CE2 4.31Å; W410-Y513 AromaticContact CZ2-CZ 3.83Å; W410-Y513 WeakPolarHBondContact CZ2-OH 3.3Å; W423-Y513 HydrophobicContact CE3-CE1 4.3Å; W423-Y513 HydrophobicContact CZ3-CE1 4.06Å; A424-Y513 HydrophobicContact CB-CE1 4.49Å; L431-Y513 HydrophobicContact CD1-CE1 3.99Å; Y438-Y513 HydrophobicContact CD1-CD2 4.34Å; Y438-Y513 HydrophobicContact CD1-CG 4.4Å; Y438-Y513 AromaticContact CD2-CD1 3.7Å; Y438-Y513 HydrophobicContact CD2-CD1 3.7Å; Y438-Y513 AromaticContact CD2-CD2 3.74Å; Y438-Y513 HydrophobicContact CD2-CD2 3.74Å; Y438-Y513 AromaticContact CD2-CE1 3.89Å; Y438-Y513 HydrophobicContact CD2-CE1 3.89Å; Y438-Y513 AromaticContact CD2-CE2 3.94Å; Y438-Y513 HydrophobicContact CD2-CE2 3.94Å; Y438-Y513 AromaticContact CD2-CG 3.63Å; Y438-Y513 HydrophobicContact CD2-CG 3.63Å; Y438-Y513 HydrophobicContact CE1-CD2 4.35Å; Y438-Y513 HydrophobicContact CE2-CD1 4.36Å; Y438-Y513 AromaticContact CE2-CD2 3.77Å; Y438-Y513 HydrophobicContact CE2-CD2 3.77Å; Y438-Y513 HydrophobicContact CE2-CE1 4.22Å; Y438-Y513 AromaticContact CE2-CE2 3.62Å; Y438-Y513 HydrophobicContact CE2-CE2 3.62Å; Y438-Y513 HydrophobicContact CE2-CG 4.16Å; Y438-Y513 AromaticContact CE2-CZ 3.86Å; Y438-Y513 HydrophobicContact CG-CD1 4.16Å; Y438-Y513 HydrophobicContact CG-CD2 4.04Å; Y438-Y513 AromaticContact CG-CG 3.78Å; Y438-Y513 HydrophobicContact CG-CG 3.78Å; D509-Y513 VanDerWaalsContact O-CD2 3.23Å; D509-Y513 WeakPolarHBondContact O-CD2 3.43Å; D509-Y513 WeakPolarHBondContact O-CE2 3.44Å; F510-Y513 PolarHBondContact O-N 2.95Å; E511-Y513 VanDerWaalsContact C-N 3.34Å; E511-Y513 PolarHBondContact O-N 2.76Å; Y513-L517 CarbonylContact O-C 3.53Å; Y513-L517 WeakPolarHBondContact O-CB 3.34Å; Y513-G518 PolarHBondContact O-N 3.08Å; Y513-G518 VanDerWaalsContact O-N 3.11Å; Y513-I519 HydrophobicContact CD1-CD1 3.79Å; Y513-I519 HydrophobicContact CG-CD1 4.43Å; Y513-I519 VanDerWaalsContact O-CB 3.31Å; Y513-I519 WeakPolarHBondContact O-CB 3.49Å; Y513-I519 PolarHBondContact O-N 3.09Å
514F98.4Very high95.7Very high1 Ų15.6 Ų5.60%0.0044%0.037CC..Iπ-helixtrans-81.7-59.7-174.2-177.8-125.6000112.2L504 F510 E511 G518 I519 A521 E661 H678 F681L504-F514 HydrophobicContact CB-CD1 3.77Å; L504-F514 HydrophobicContact CB-CE1 3.58Å; L504-F514 HydrophobicContact CB-CZ 4.37Å; L504-F514 HydrophobicContact CD1-CD1 4.01Å; L504-F514 HydrophobicContact CD1-CD2 4.48Å; L504-F514 HydrophobicContact CD1-CE1 4.16Å; L504-F514 HydrophobicContact CD1-CG 4.18Å; L504-F514 HydrophobicContact CD1-CZ 4.44Å; F510-F514 HydrophobicContact CD2-CB 4.35Å; F510-F514 WeakPolarHBondContact O-CB 3.25Å; F510-F514 PolarHBondContact O-N 3.19Å; E511-F514 PolarHBondContact O-N 3.34Å; F514-G518 VanDerWaalsContact O-CA 3.3Å; F514-G518 WeakPolarHBondContact O-CA 3.4Å; F514-G518 PolarHBondContact O-N 3.44Å; F514-G518 VanDerWaalsContact O-N 3.11Å; F514-I519 WeakPolarHBondContact CD2-O 3.46Å; F514-A521 HydrophobicContact CB-CB 3.85Å; F514-A521 HydrophobicContact CD2-CB 4.18Å; F514-A521 HydrophobicContact CG-CB 4.18Å; F514-E661 HydrophobicContact CE2-CG 4.48Å; F514-H678 AromaticContact CE2-CD2 3.69Å; F514-H678 AromaticContact CE2-NE2 3.58Å; F514-H678 AromaticContact CZ-CD2 3.76Å; F514-H678 AromaticContact CZ-NE2 3.7Å; F514-F681 HydrophobicContact CE1-CB 3.72Å; F514-F681 HydrophobicContact CE1-CD2 4.13Å; F514-F681 HydrophobicContact CE1-CG 4.12Å; F514-F681 HydrophobicContact CE2-CD2 4.36Å; F514-F681 HydrophobicContact CZ-CB 3.92Å; F514-F681 AromaticContact CZ-CD2 3.43Å; F514-F681 HydrophobicContact CZ-CD2 3.43Å; F514-F681 VanDerWaalsContact CZ-CD2 3.43Å; F514-F681 HydrophobicContact CZ-CE2 4.11Å; F514-F681 AromaticContact CZ-CG 3.89Å; F514-F681 HydrophobicContact CZ-CG 3.89Å
515I97.2Very high96.1Very high0 Ų06.2 Ų6.20%04%0.04CC..Iπ-helixtrans-77.5-31.7-168.3-67.3160.9000112.1G505 E511 Y676 R677 H678 A682 P683G505-I515 WeakPolarHBondContact O-CD1 3.11Å; E511-I515 HydrophobicContact CG-CD1 3.83Å; E511-I515 WeakPolarHBondContact O-CB 3.19Å; E511-I515 PolarHBondContact O-N 3.38Å; I515-Y676 HydrophobicContact CG2-CD1 3.47Å; I515-Y676 VanDerWaalsContact CG2-CD1 3.47Å; I515-Y676 HydrophobicContact CG2-CE1 4.22Å; I515-Y676 HydrophobicContact CG2-CG 3.91Å; I515-R677 PolarHBondContact O-N 2.9Å; I515-R677 VanDerWaalsContact O-N 3.08Å; I515-H678 PolarHBondContact O-N 2.57Å; I515-A682 HydrophobicContact CG2-CB 4.45Å; I515-P683 HydrophobicContact CD1-CG 3.81Å
516R97.9Very high96.9Very high19 Ų196 Ų67%0.0724%0.037CC..Iπ-helixtrans-99.4-43.7-176.3-177.8179.1175.5172.1-6.6112.9G253 E425 A512 F675G253-R516 PolarHBondContact O-NH1 3.38Å; E425-R516 IonicContact OE1-CZ 3.99Å; E425-R516 IonicContact OE1-NH1 3.99Å; E425-R516 PolarHBondContact OE1-NH1 2.72Å; E425-R516 IonicContact OE1-NH2 3.48Å; E425-R516 PolarHBondContact OE1-NH2 3.35Å; A512-R516 WeakPolarHBondContact O-CB 3.4Å; A512-R516 PolarHBondContact O-N 3.09Å; R516-F675 WeakPolarHBondContact CB-O 3.26Å
517L98.6Very high97.6Very high5 Ų55.4 Ų5.43%0.0263%0.033CC..THydrogen-bonded Turntrans-96.6-14.2-177.1-58.1-176.6000114.2A424 A428 L431 Q432 A512 Y513 I519 R662A424-L517 HydrophobicContact CB-CD1 4.02Å; A428-L517 HydrophobicContact CB-CD2 4.1Å; L431-L517 HydrophobicContact CB-CD1 4Å; L431-L517 HydrophobicContact CD1-CD1 3.98Å; Q432-L517 HydrophobicContact CG-CB 4.22Å; Q432-L517 HydrophobicContact CG-CD2 3.93Å; A512-L517 WeakPolarHBondContact O-CG 3.36Å; A512-L517 PolarHBondContact O-N 2.61Å; Y513-L517 CarbonylContact O-C 3.53Å; Y513-L517 WeakPolarHBondContact O-CB 3.34Å; L517-I519 HydrophobicContact CB-CD1 3.85Å; L517-I519 HydrophobicContact CB-CG1 4.05Å; L517-I519 HydrophobicContact CD1-CD1 3.96Å; L517-R662 WeakPolarHBondContact O-CD 3.42Å; L517-R662 PolarHBondContact O-NE 2.81Å; L517-R662 VanDerWaalsContact O-NE 3.16Å
518G98.3Very high98.1Very high0 Ų05 Ų50%02%0.023CC..  trans73.729.8179.800000114.3Y513 F514 E661 R662 I665Y513-G518 PolarHBondContact O-N 3.08Å; Y513-G518 VanDerWaalsContact O-N 3.11Å; F514-G518 VanDerWaalsContact O-CA 3.3Å; F514-G518 WeakPolarHBondContact O-CA 3.4Å; F514-G518 PolarHBondContact O-N 3.44Å; F514-G518 VanDerWaalsContact O-N 3.11Å; G518-E661 CarbonylContact O-C 3.33Å; G518-E661 VanDerWaalsContact O-C 3.32Å; G518-E661 WeakPolarHBondContact O-CB 3.12Å; G518-E661 WeakPolarHBondContact O-CG 3.29Å; G518-R662 WeakPolarHBondContact O-CD 3.14Å; G518-R662 PolarHBondContact O-N 2.89Å; G518-R662 PolarHBondContact O-NE 3.34Å; G518-R662 PolarHBondContact O-NH1 3.39Å; G518-I665 VanDerWaalsContact CA-CD1 3.47Å; G518-I665 VanDerWaalsContact CA-CG1 3.47Å
519I98.9Very high98.1Very high0 Ų06.2 Ų6.20%03%0.029CC..  trans-87125.9178.8-57.5163.7000109.2L431 A435 Y513 F514 L517 A521L431-I519 HydrophobicContact CB-CD1 4.03Å; A435-I519 HydrophobicContact CB-CD1 3.72Å; A435-I519 HydrophobicContact CB-CG1 4.01Å; A435-I519 HydrophobicContact CB-CG2 3.95Å; Y513-I519 HydrophobicContact CD1-CD1 3.79Å; Y513-I519 HydrophobicContact CG-CD1 4.43Å; Y513-I519 VanDerWaalsContact O-CB 3.31Å; Y513-I519 WeakPolarHBondContact O-CB 3.49Å; Y513-I519 PolarHBondContact O-N 3.09Å; F514-I519 WeakPolarHBondContact CD2-O 3.46Å; L517-I519 HydrophobicContact CB-CD1 3.85Å; L517-I519 HydrophobicContact CB-CG1 4.05Å; L517-I519 HydrophobicContact CD1-CD1 3.96Å; I519-A521 PolarHBondContact O-N 3.15Å
520A98.8Very high97.8Very high2 Ų210.6 Ų10.62%0.0175%0.048CC..EExtended strand (participates in β ladder)trans-52.1125.1175.500000109.4A437 Y438 T456 E661A437-A520 CarbonylContact C-O 3.24Å; A437-A520 WeakPolarHBondContact CA-O 3.11Å; A437-A520 HydrophobicContact CB-CB 4.42Å; A437-A520 WeakPolarHBondContact CB-O 3.38Å; Y438-A520 PolarHBondContact N-O 3.2Å; T456-A520 HydrophobicContact CG2-CB 3.78Å; A520-E661 HydrophobicContact CB-CB 4.46Å; A520-E661 HydrophobicContact CB-CG 4.44Å
521A98.7Very high97.4Very high0 Ų017.2 Ų17.20%08%0.077CC..EExtended strand (participates in β ladder)trans-133.7156.7-171.300000113Y438 C455 T456 L459 L504 F510 F514 I519Y438-A521 CarbonylContact O-C 3.57Å; Y438-A521 WeakPolarHBondContact O-CA 3.22Å; C455-A521 CarbonylContact C-O 3.5Å; C455-A521 VanDerWaalsContact CA-O 3.29Å; C455-A521 WeakPolarHBondContact CA-O 3.46Å; C455-A521 WeakPolarHBondContact CB-O 3.4Å; T456-A521 PolarHBondContact N-O 2.71Å; L459-A521 WeakPolarHBondContact CD1-O 3.19Å; L504-A521 HydrophobicContact CD1-CB 3.71Å; L504-A521 VanDerWaalsContact CD1-O 3.26Å; L504-A521 WeakPolarHBondContact CD1-O 3.43Å; F510-A521 HydrophobicContact CB-CB 4.42Å; F514-A521 HydrophobicContact CB-CB 3.85Å; F514-A521 HydrophobicContact CD2-CB 4.18Å; F514-A521 HydrophobicContact CG-CB 4.18Å; I519-A521 PolarHBondContact O-N 3.15Å
522G98.6Very high97.1Very high2 Ų221.5 Ų21.52%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-157.5159174.100000113.5Y438 I439 N440 D454 C455Y438-G522 PolarHBondContact O-N 3.31Å; I439-G522 CarbonylContact C-O 3.51Å; I439-G522 WeakPolarHBondContact CA-O 3.34Å; N440-G522 PolarHBondContact N-O 3.43Å; D454-G522 CarbonylContact O-C 3.56Å; D454-G522 VanDerWaalsContact O-CA 3.31Å; D454-G522 WeakPolarHBondContact O-CA 3.2Å; C455-G522 VanDerWaalsContact CB-CA 3.48Å
523R98.5Very high96.9Very high16 Ų1623.6 Ų23.66%0.0611%0.113CC..EExtended strand (participates in β ladder)trans-140147.917173.1-178.8-67.6174.61.7110.1N440 D442 V453 D454 L504 R525N440-R523 HydrophobicContact CB-CB 3.88Å; D442-R523 IonicContact OD2-CZ 2.78Å; D442-R523 IonicContact OD2-NH1 3.4Å; D442-R523 IonicContact OD2-NH2 2.78Å; D442-R523 PolarHBondContact OD2-NH2 3.25Å; V453-R523 WeakPolarHBondContact CA-O 3.26Å; D454-R523 HydrophobicContact CB-CG 3.93Å; D454-R523 PolarHBondContact N-O 3.16Å; D454-R523 PolarHBondContact O-N 2.72Å; D454-R523 WeakPolarHBondContact OD2-CD 3.24Å; D454-R523 WeakPolarHBondContact OD2-CG 3.27Å; L504-R523 HydrophobicContact CD2-CG 4.35Å; R523-R525 VanDerWaalsContact NE-NH1 3.14Å
524A98.7Very high96.4Very high0 Ų033.7 Ų33.70%015%0.151CC..EExtended strand (participates in β ladder)trans-135.3138.817600000110.2L451 R452 V453 V565 V568 R569L451-A524 HydrophobicContact CD1-CB 4.46Å; R452-A524 WeakPolarHBondContact O-CA 3.44Å; V453-A524 HydrophobicContact CG2-CB 4.15Å; A524-V565 WeakPolarHBondContact O-CG1 3.34Å; A524-V568 HydrophobicContact CB-CB 4.4Å; A524-V568 HydrophobicContact CB-CG1 3.58Å; A524-R569 VanDerWaalsContact O-CZ 3.26Å; A524-R569 PolarHBondContact O-NE 3.44Å; A524-R569 PolarHBondContact O-NH2 3.29Å
525R98.7Very high96.1Very high17 Ų1734.2 Ų34.26%0.06415%0.154CC..EExtended strand (participates in β ladder)trans-157.4163.3178.765.7-171.1-173.1-108.632.4111.3S443 A444 E446 L451 R452 D454 R523S443-R525 WeakPolarHBondContact O-CB 3.41Å; A444-R525 WeakPolarHBondContact O-CA 3.46Å; E446-R525 VanDerWaalsContact CD-CD 3.47Å; E446-R525 WeakPolarHBondContact OE1-CD 3.44Å; E446-R525 IonicContact OE1-CZ 3.24Å; E446-R525 IonicContact OE1-NE 2.93Å; E446-R525 PolarHBondContact OE1-NE 2.63Å; E446-R525 IonicContact OE1-NH2 2.71Å; E446-R525 PolarHBondContact OE1-NH2 3.24Å; E446-R525 IonicContact OE2-CZ 3.34Å; E446-R525 IonicContact OE2-NE 2.73Å; E446-R525 PolarHBondContact OE2-NE 2.86Å; E446-R525 IonicContact OE2-NH2 2.91Å; E446-R525 PolarHBondContact OE2-NH2 2.9Å; L451-R525 CarbonylContact C-O 3.53Å; R452-R525 HydrophobicContact CB-CG 4.32Å; R452-R525 PolarHBondContact N-O 3.17Å; R452-R525 PolarHBondContact O-N 3.04Å; D454-R525 IonicContact OD2-CZ 2.94Å; D454-R525 IonicContact OD2-NH1 3.31Å; D454-R525 PolarHBondContact OD2-NH1 3.47Å; R523-R525 VanDerWaalsContact NE-NH1 3.14Å
526Y98.6Very high95.7Very high0 Ų035.3 Ų35.30%016%0.161CC..EExtended strand (participates in β ladder)trans-82.4143.1166.5-108.5-101.5000111.3A444 E446 T450 L451 P473 E474 L482 R561 A564 V565A444-Y526 PolarHBondContact O-N 3.46Å; E446-Y526 PolarHBondContact N-O 3.36Å; T450-Y526 WeakPolarHBondContact O-CA 3.45Å; L451-Y526 HydrophobicContact CD1-CD2 4.45Å; P473-Y526 VanDerWaalsContact CD-OH 3.24Å; P473-Y526 WeakPolarHBondContact CD-OH 3.33Å; P473-Y526 HydrophobicContact CG-CE2 4.03Å; P473-Y526 WeakPolarHBondContact CG-OH 3.35Å; E474-Y526 WeakPolarHBondContact OE1-CE1 3.44Å; E474-Y526 VanDerWaalsContact OE1-CZ 3.31Å; E474-Y526 PolarHBondContact OE1-OH 3.02Å; L482-Y526 HydrophobicContact CD1-CE2 4.38Å; Y526-R561 HydrophobicContact CD1-CB 4.24Å; Y526-R561 HydrophobicContact CD1-CG 4.09Å; Y526-R561 HydrophobicContact CD2-CB 4.05Å; Y526-R561 HydrophobicContact CE1-CB 4.4Å; Y526-R561 HydrophobicContact CE1-CG 3.91Å; Y526-R561 HydrophobicContact CE2-CB 4.23Å; Y526-R561 HydrophobicContact CE2-CG 4.42Å; Y526-R561 HydrophobicContact CG-CB 4.04Å; Y526-R561 HydrophobicContact CG-CG 4.39Å; Y526-A564 HydrophobicContact CE2-CB 4.5Å; Y526-V565 HydrophobicContact CD2-CG2 3.78Å
527T98.2Very high95.4Very high6 Ų636.3 Ų36.34%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-141.2174.6-176.5-157.40000112.1G447 Y449 T450 R452G447-T527 CarbonylContact C-O 3.57Å; Y449-T527 WeakPolarHBondContact CA-O 3.44Å; Y449-T527 WeakPolarHBondContact CB-O 3.49Å; Y449-T527 PolarHBondContact N-O 3.49Å; T450-T527 PolarHBondContact N-O 3.03Å; T450-T527 PolarHBondContact O-N 3.39Å; R452-T527 HydrophobicContact CB-CG2 3.65Å
528K96.3Very high95.3Very high20 Ų2036.2 Ų36.29%0.08717%0.17CC..  trans-82.7169.4-178.472.5-174176.1-161.60113.3K530 E533 Y535 S537K528-K530 PolarHBondContact O-N 2.92Å; K528-K530 VanDerWaalsContact O-N 3.15Å; K528-E533 WeakPolarHBondContact CB-OE2 3.37Å; K528-E533 HydrophobicContact CD-CB 4.18Å; K528-E533 HydrophobicContact CG-CB 4.46Å; K528-Y535 WeakPolarHBondContact CB-OH 3.38Å; K528-Y535 HydrophobicContact CD-CD2 3.92Å; K528-Y535 HydrophobicContact CD-CE1 4.33Å; K528-Y535 HydrophobicContact CD-CE2 3.25Å; K528-Y535 VanDerWaalsContact CD-CZ 3.47Å; K528-Y535 WeakPolarHBondContact CE-O 3.43Å; K528-Y535 VanDerWaalsContact NZ-C 3.34Å; K528-Y535 VanDerWaalsContact NZ-CE2 3.28Å; K528-Y535 PolarHBondContact NZ-O 3.05Å; K528-S537 PolarHBondContact NZ-O 3.19Å
529N95.8Very high95.3Very high24 Ų2436.2 Ų36.213%0.12817%0.171CC..  trans-8096.6173-173.9-10000111Y449 K531 T532 E533Y449-N529 HydrophobicContact CD1-CB 3.57Å; Y449-N529 HydrophobicContact CD2-CB 3.96Å; Y449-N529 HydrophobicContact CE1-CB 3.85Å; Y449-N529 HydrophobicContact CE2-CB 4.24Å; Y449-N529 HydrophobicContact CG-CB 3.63Å; N529-K531 PolarHBondContact O-N 3.13Å; N529-K531 WeakPolarHBondContact OD1-CB 3.38Å; N529-K531 PolarHBondContact OD1-N 3.15Å; N529-T532 WeakPolarHBondContact CB-OG1 3.31Å; N529-T532 VanDerWaalsContact CG-OG1 3.3Å; N529-T532 PolarHBondContact ND2-OG1 3.28Å; N529-T532 PolarHBondContact O-N 3.13Å; N529-T532 VanDerWaalsContact O-N 3.09Å; N529-T532 PolarHBondContact O-OG1 2.87Å; N529-E533 PolarHBondContact N-OE2 3.21Å; N529-E533 WeakPolarHBondContact O-CB 3.27Å; N529-E533 PolarHBondContact O-N 2.94Å
530K90.5Very high95.3Very high92 Ų9236.2 Ų36.240%0.417%0.171SC..THydrogen-bonded Turntrans-58-19.3-180-62.4175.4-175.9165.50114.4K528K528-K530 PolarHBondContact O-N 2.92Å; K528-K530 VanDerWaalsContact O-N 3.15Å
531K90.6Very high95.3Very high142 Ų14237.6 Ų37.662%0.61718%0.176SC*.THydrogen-bonded Turntrans-77.7-34.1179.1-61.2174.7-179.7167.70111.9N529N529-K531 PolarHBondContact O-N 3.13Å; N529-K531 WeakPolarHBondContact OD1-CB 3.38Å; N529-K531 PolarHBondContact OD1-N 3.15Å
532T91.8Very high95.2Very high101 Ų10137.8 Ų37.862%0.6218%0.176SC*.THydrogen-bonded Turntrans-108.3-28.2-175.554.60000113N529N529-T532 WeakPolarHBondContact CB-OG1 3.31Å; N529-T532 VanDerWaalsContact CG-OG1 3.3Å; N529-T532 PolarHBondContact ND2-OG1 3.28Å; N529-T532 PolarHBondContact O-N 3.13Å; N529-T532 VanDerWaalsContact O-N 3.09Å; N529-T532 PolarHBondContact O-OG1 2.87Å
533E92.4Very high95.3Very high48 Ų4837.8 Ų37.822%0.22418%0.176CC..  trans-106.9110.7-173.6-65.7177.1101.600110.8K528 N529 Y535K528-E533 WeakPolarHBondContact CB-OE2 3.37Å; K528-E533 HydrophobicContact CD-CB 4.18Å; K528-E533 HydrophobicContact CG-CB 4.46Å; N529-E533 PolarHBondContact N-OE2 3.21Å; N529-E533 WeakPolarHBondContact O-CB 3.27Å; N529-E533 PolarHBondContact O-N 2.94Å; E533-Y535 HydrophobicContact CB-CD1 4.13Å; E533-Y535 HydrophobicContact CB-CE1 3.54Å; E533-Y535 VanDerWaalsContact CD-OH 3.29Å; E533-Y535 HydrophobicContact CG-CE1 3.87Å; E533-Y535 WeakPolarHBondContact OE1-CE1 3.26Å; E533-Y535 PolarHBondContact OE1-OH 3.46Å
534R89.6Confident95.3Very high212 Ų21237 Ų3780%0.817%0.173SC*.  trans-97.9-7.6-171.2-64-170.3178.4-163.20.2115.4
535Y91.9Very high95.3Very high13 Ų1337.6 Ų37.65%0.05118%0.176CC..SBendtrans-57.4159.5176.553.6-94.6000110.6D223 A226 W236 K528 E533 P539D223-Y535 CarbonylContact O-C 3.58Å; D223-Y535 WeakPolarHBondContact O-CA 3.36Å; D223-Y535 WeakPolarHBondContact O-CB 3.49Å; A226-Y535 HydrophobicContact CB-CD1 4.09Å; A226-Y535 HydrophobicContact CB-CE1 3.79Å; W236-Y535 HydrophobicContact CH2-CE1 4.04Å; W236-Y535 AromaticContact CH2-CZ 3.92Å; W236-Y535 HydrophobicContact CZ3-CE1 4.21Å; W236-Y535 HydrophobicContact CZ3-CE2 4.43Å; W236-Y535 AromaticContact CZ3-CZ 3.89Å; K528-Y535 WeakPolarHBondContact CB-OH 3.38Å; K528-Y535 HydrophobicContact CD-CD2 3.92Å; K528-Y535 HydrophobicContact CD-CE1 4.33Å; K528-Y535 HydrophobicContact CD-CE2 3.25Å; K528-Y535 VanDerWaalsContact CD-CZ 3.47Å; K528-Y535 WeakPolarHBondContact CE-O 3.43Å; K528-Y535 VanDerWaalsContact NZ-C 3.34Å; K528-Y535 VanDerWaalsContact NZ-CE2 3.28Å; K528-Y535 PolarHBondContact NZ-O 3.05Å; E533-Y535 HydrophobicContact CB-CD1 4.13Å; E533-Y535 HydrophobicContact CB-CE1 3.54Å; E533-Y535 VanDerWaalsContact CD-OH 3.29Å; E533-Y535 HydrophobicContact CG-CE1 3.87Å; E533-Y535 WeakPolarHBondContact OE1-CE1 3.26Å; E533-Y535 PolarHBondContact OE1-OH 3.46Å; Y535-P539 HydrophobicContact CD2-CG 4.4Å
536S88.8Confident95.2Very high22 Ų2237 Ų3715%0.15417%0.173CC..SBendtrans-89148.3172.5-67.20000109.7D223 Y538D223-S536 PolarHBondContact O-N 3.19Å; S536-Y538 PolarHBondContact O-N 2.67Å; S536-Y538 VanDerWaalsContact O-N 3.11Å
537S90.6Very high95.2Very high41 Ų4137 Ų3729%0.28717%0.173SC..SBendtrans45.1-118.5-177.8-168.40000111.7K528K528-S537 PolarHBondContact NZ-O 3.19Å
538Y97.3Very high95.3Very high2 Ų236.9 Ų36.91%0.00817%0.172CC..  trans-133.9156.4164.750.4-87.5000110I375 D376 E446 S536 V540 Y541 E546 Y555I375-Y538 HydrophobicContact CB-CE2 4.06Å; I375-Y538 HydrophobicContact CD1-CD2 3.76Å; I375-Y538 HydrophobicContact CD1-CE2 3.72Å; I375-Y538 HydrophobicContact CD1-CG 4.33Å; I375-Y538 HydrophobicContact CG1-CE2 4.48Å; I375-Y538 HydrophobicContact CG2-CE1 3.81Å; I375-Y538 HydrophobicContact CG2-CE2 4.13Å; D376-Y538 WeakPolarHBondContact CB-OH 3.18Å; E446-Y538 HydrophobicContact CB-CD1 3.94Å; E446-Y538 HydrophobicContact CB-CE1 4.46Å; E446-Y538 HydrophobicContact CG-CD1 3.89Å; E446-Y538 HydrophobicContact CG-CE1 3.92Å; S536-Y538 PolarHBondContact O-N 2.67Å; S536-Y538 VanDerWaalsContact O-N 3.11Å; Y538-V540 HydrophobicContact CD2-CG2 4.06Å; Y538-V540 HydrophobicContact CE2-CG2 4.29Å; Y538-V540 PolarHBondContact O-N 3.48Å; Y538-Y541 AromaticContact CE1-CD2 3.99Å; Y538-Y541 HydrophobicContact CE1-CD2 3.99Å; Y538-Y541 HydrophobicContact CE2-CD2 4.18Å; Y538-Y541 AromaticContact CZ-CD2 3.62Å; Y538-Y541 VanDerWaalsContact O-CB 3.26Å; Y538-Y541 WeakPolarHBondContact O-CB 3.18Å; Y538-Y541 PolarHBondContact O-N 2.87Å; Y538-Y541 WeakPolarHBondContact OH-CD2 3.31Å; Y538-E546 HydrophobicContact CE2-CG 4.34Å; Y538-E546 PolarHBondContact OH-OE1 3.33Å; Y538-E546 PolarHBondContact OH-OE2 2.75Å; Y538-Y555 WeakPolarHBondContact CB-OH 3.38Å
539P98Very high95.4Very high1 Ų138.5 Ų38.51%0.00618%0.18CC..THydrogen-bonded Turntrans-57.2-45.6-166.3-33.140.3000116.3Y224 W236 L238 Y535 Y541Y224-P539 WeakPolarHBondContact O-CB 3.3Å; W236-P539 HydrophobicContact CE3-CG 3.68Å; W236-P539 HydrophobicContact CZ3-CG 3.58Å; W236-P539 WeakPolarHBondContact O-CB 3.38Å; L238-P539 HydrophobicContact CB-CB 4.37Å; L238-P539 WeakPolarHBondContact CB-O 3.49Å; Y535-P539 HydrophobicContact CD2-CG 4.4Å; P539-Y541 VanDerWaalsContact C-N 3.25Å; P539-Y541 PolarHBondContact O-N 3.08Å
540V98.4Very high95.5Very high0 Ų037.3 Ų37.30%017%0.174CC..THydrogen-bonded Turntrans-84.38.5-174.1-630000114.5Y538 H542 S543 E546 I550Y538-V540 HydrophobicContact CD2-CG2 4.06Å; Y538-V540 HydrophobicContact CE2-CG2 4.29Å; Y538-V540 PolarHBondContact O-N 3.48Å; V540-H542 PolarHBondContact O-N 3.07Å; V540-S543 WeakPolarHBondContact O-CB 3.35Å; V540-S543 PolarHBondContact O-N 3.44Å; V540-S543 VanDerWaalsContact O-N 3.08Å; V540-S543 PolarHBondContact O-OG 3.48Å; V540-E546 HydrophobicContact CB-CG 4.44Å; V540-E546 HydrophobicContact CG2-CG 3.92Å; V540-E546 VanDerWaalsContact O-CG 3.31Å; V540-E546 WeakPolarHBondContact O-CG 3.09Å; V540-I550 HydrophobicContact CB-CD1 4.08Å; V540-I550 HydrophobicContact CG1-CD1 3.7Å; V540-I550 HydrophobicContact CG2-CD1 3.32Å
541Y98.5Very high95.9Very high31 Ų3133 Ų3312%0.12216%0.155CC..THydrogen-bonded Turntrans-48.4129.6-175.8177.1-119.3000113.9R200 Q244 D376 Y538 P539 S543 E546R200-Y541 VanDerWaalsContact NH2-CE1 3.25Å; R200-Y541 PolarHBondContact NH2-OH 2.86Å; Q244-Y541 HydrophobicContact CG-CD1 3.97Å; Q244-Y541 HydrophobicContact CG-CE1 4.38Å; Q244-Y541 WeakPolarHBondContact CG-O 3.33Å; D376-Y541 WeakPolarHBondContact OD2-CE2 3.32Å; Y538-Y541 AromaticContact CE1-CD2 3.99Å; Y538-Y541 HydrophobicContact CE1-CD2 3.99Å; Y538-Y541 HydrophobicContact CE2-CD2 4.18Å; Y538-Y541 AromaticContact CZ-CD2 3.62Å; Y538-Y541 VanDerWaalsContact O-CB 3.26Å; Y538-Y541 WeakPolarHBondContact O-CB 3.18Å; Y538-Y541 PolarHBondContact O-N 2.87Å; Y538-Y541 WeakPolarHBondContact OH-CD2 3.31Å; P539-Y541 VanDerWaalsContact C-N 3.25Å; P539-Y541 PolarHBondContact O-N 3.08Å; Y541-S543 PolarHBondContact O-N 3.25Å; Y541-S543 VanDerWaalsContact O-N 3.14Å; Y541-E546 VanDerWaalsContact CA-OE1 3.24Å; Y541-E546 WeakPolarHBondContact CA-OE1 3.36Å
542H98.6Very high96.3Very high3 Ų328.2 Ų28.21%0.01414%0.135CC..THydrogen-bonded Turntrans50.626.6-176.7-61.6-170.8000115.4Q244 R245 W370 D376 E414 V540 E546Q244-H542 HydrophobicContact CG-CB 3.87Å; R245-H542 HydrophobicContact CB-CB 4.27Å; R245-H542 PolarHBondContact N-O 2.99Å; R245-H542 PolarHBondContact NH1-O 3.18Å; R245-H542 VanDerWaalsContact O-CB 3.31Å; R245-H542 WeakPolarHBondContact O-CB 3.31Å; R245-H542 PolarHBondContact O-ND1 3.22Å; W370-H542 AromaticContact CD1-CD2 3.6Å; W370-H542 AromaticContact CD1-CE1 3.48Å; W370-H542 VanDerWaalsContact CD1-CE1 3.48Å; W370-H542 AromaticContact CD1-CG 3.3Å; W370-H542 AromaticContact CD1-ND1 3.26Å; W370-H542 VanDerWaalsContact CD1-ND1 3.26Å; W370-H542 AromaticContact CD1-NE2 3.76Å; W370-H542 HydrophobicContact CG-CB 4.28Å; W370-H542 AromaticContact NE1-CE1 3.18Å; W370-H542 PolarHBondContact NE1-CE1 3.32Å; W370-H542 AromaticContact NE1-CG 3.71Å; W370-H542 AromaticContact NE1-ND1 3.12Å; W370-H542 PolarHBondContact NE1-ND1 2.75Å; W370-H542 VanDerWaalsContact NE1-ND1 3.12Å; W370-H542 AromaticContact NE1-NE2 3.86Å; D376-H542 IonicContact OD2-CD2 2.62Å; D376-H542 IonicContact OD2-NE2 3.14Å; D376-H542 PolarHBondContact OD2-NE2 2.85Å; E414-H542 IonicContact OE1-CD2 3.03Å; E414-H542 IonicContact OE1-CE1 2.69Å; E414-H542 IonicContact OE1-NE2 2.79Å; E414-H542 PolarHBondContact OE1-NE2 3.48Å; E414-H542 IonicContact OE2-CE1 3.15Å; E414-H542 PolarHBondContact OE2-CE1 2.96Å; E414-H542 IonicContact OE2-ND1 2.64Å; E414-H542 IonicContact OE2-NE2 3.81Å; E414-H542 PolarHBondContact OE2-NE2 3.48Å; V540-H542 PolarHBondContact O-N 3.07Å; H542-E546 PolarHBondContact N-OE1 2.91Å
543S98.6Very high96.6Very high2 Ų229.1 Ų29.11%0.01413%0.127CC..SBendtrans-101.4169.9175.678.50000111.3E135 V540 Y541 Y545 E546E135-S543 VanDerWaalsContact OE1-CB 3.32Å; E135-S543 WeakPolarHBondContact OE1-CB 3.47Å; V540-S543 WeakPolarHBondContact O-CB 3.35Å; V540-S543 PolarHBondContact O-N 3.44Å; V540-S543 VanDerWaalsContact O-N 3.08Å; V540-S543 PolarHBondContact O-OG 3.48Å; Y541-S543 PolarHBondContact O-N 3.25Å; Y541-S543 VanDerWaalsContact O-N 3.14Å; S543-Y545 PolarHBondContact O-N 3.31Å; S543-Y545 PolarHBondContact OG-N 3.17Å; S543-Y545 VanDerWaalsContact OG-N 3.15Å; S543-E546 PolarHBondContact O-N 3.49Å
544V98.6Very high96.9Very high1 Ų128.9 Ų28.91%0.00613%0.125CC..THydrogen-bonded Turntrans-62.5-19.7171.772.90000112.8E135 P138 I147 V371 F372 E546E135-V544 HydrophobicContact CB-CB 4.28Å; E135-V544 HydrophobicContact CB-CG1 3.61Å; E135-V544 HydrophobicContact CG-CG1 4.28Å; E135-V544 PolarHBondContact OE1-N 3.44Å; E135-V544 WeakPolarHBondContact OE2-CB 3.25Å; E135-V544 PolarHBondContact OE2-N 3.39Å; P138-V544 VanDerWaalsContact CD-CG2 3.45Å; P138-V544 HydrophobicContact CG-CB 4.37Å; P138-V544 HydrophobicContact CG-CG1 3.95Å; P138-V544 HydrophobicContact CG-CG2 3.87Å; P138-V544 WeakPolarHBondContact CG-O 3.44Å; I147-V544 HydrophobicContact CD1-CG2 4.05Å; I147-V544 HydrophobicContact CG2-CG2 3.98Å; V371-V544 HydrophobicContact CG1-CG2 4.17Å; F372-V544 WeakPolarHBondContact CD2-O 3.44Å; F372-V544 HydrophobicContact CE2-CG2 3.98Å; V544-E546 VanDerWaalsContact C-N 3.29Å; V544-E546 PolarHBondContact O-N 3.35Å
545Y98.6Very high97.3Very high12 Ų1218.9 Ų18.95%0.0479%0.088CC..THydrogen-bonded Turntrans-84.63.3-175.2-51.7-74.6000114P136 P138 Y232 L238 P239 S543 T547P136-Y545 PolarHBondContact O-OH 3.23Å; P138-Y545 HydrophobicContact CB-CD1 4.38Å; P138-Y545 HydrophobicContact CG-CD1 3.85Å; P138-Y545 HydrophobicContact CG-CE1 4.19Å; Y232-Y545 AromaticContact CD1-CD1 3.47Å; Y232-Y545 HydrophobicContact CD1-CD1 3.47Å; Y232-Y545 VanDerWaalsContact CD1-CD1 3.47Å; Y232-Y545 HydrophobicContact CD1-CE1 4.22Å; Y232-Y545 HydrophobicContact CD1-CG 4.26Å; Y232-Y545 HydrophobicContact CE1-CD1 4.11Å; Y232-Y545 HydrophobicContact CG-CD1 4.05Å; Y232-Y545 HydrophobicContact CG-CG 4.43Å; L238-Y545 HydrophobicContact CD1-CD2 4.43Å; P239-Y545 HydrophobicContact CB-CE1 4.47Å; P239-Y545 HydrophobicContact CB-CE2 3.97Å; P239-Y545 HydrophobicContact CG-CD1 4.06Å; P239-Y545 HydrophobicContact CG-CD2 3.9Å; P239-Y545 HydrophobicContact CG-CE1 3.81Å; P239-Y545 HydrophobicContact CG-CE2 3.64Å; P239-Y545 HydrophobicContact CG-CG 4.09Å; S543-Y545 PolarHBondContact O-N 3.31Å; S543-Y545 PolarHBondContact OG-N 3.17Å; S543-Y545 VanDerWaalsContact OG-N 3.15Å; Y545-T547 PolarHBondContact O-N 3.18Å
546E98.1Very high97.6Very high4 Ų418.3 Ų18.32%0.0199%0.085CC..  trans-75.471.6167.6-73.3-154.1-133.900111.4F372 G373 G374 I375 D376 Y538 V540 Y541 H542 S543 V544F372-E546 WeakPolarHBondContact CB-O 3.17Å; G373-E546 PolarHBondContact N-O 3.26Å; G374-E546 PolarHBondContact N-O 3.32Å; I375-E546 WeakPolarHBondContact CB-OE2 3.5Å; I375-E546 PolarHBondContact N-OE2 3.43Å; D376-E546 PolarHBondContact N-OE2 3.41Å; Y538-E546 HydrophobicContact CE2-CG 4.34Å; Y538-E546 PolarHBondContact OH-OE1 3.33Å; Y538-E546 PolarHBondContact OH-OE2 2.75Å; V540-E546 HydrophobicContact CB-CG 4.44Å; V540-E546 HydrophobicContact CG2-CG 3.92Å; V540-E546 VanDerWaalsContact O-CG 3.31Å; V540-E546 WeakPolarHBondContact O-CG 3.09Å; Y541-E546 VanDerWaalsContact CA-OE1 3.24Å; Y541-E546 WeakPolarHBondContact CA-OE1 3.36Å; H542-E546 PolarHBondContact N-OE1 2.91Å; S543-E546 PolarHBondContact O-N 3.49Å; V544-E546 VanDerWaalsContact C-N 3.29Å; V544-E546 PolarHBondContact O-N 3.35Å
547T98.7Very high98.1Very high0 Ų021 Ų210%010%0.102CC..  trans-98.4168.8-17659.50000112.1P138 Y141 Y232 F372 Y545 E549 I550P138-T547 HydrophobicContact CB-CG2 4.2Å; P138-T547 HydrophobicContact CG-CG2 4.24Å; Y141-T547 HydrophobicContact CD2-CG2 4.25Å; Y141-T547 HydrophobicContact CE2-CG2 3.62Å; Y232-T547 PolarHBondContact OH-OG1 2.82Å; F372-T547 HydrophobicContact CD2-CG2 4.22Å; Y545-T547 PolarHBondContact O-N 3.18Å; T547-E549 WeakPolarHBondContact CB-OE2 3.24Å; T547-E549 PolarHBondContact O-N 3.35Å; T547-I550 WeakPolarHBondContact O-CG2 3.26Å; T547-I550 PolarHBondContact O-N 3.39Å; T547-I550 PolarHBondContact OG1-N 3.48Å
548F98.8Very high98.4Very high3 Ų322.3 Ų22.31%0.01311%0.109CC..Hα-helixtrans-57.3-42.9167.2172-100.6000111.6R61 L64 R65 T68 I550 V551 E552 F559R61-F548 HydrophobicContact CG-CE2 4.19Å; R61-F548 HydrophobicContact CG-CZ 3.99Å; L64-F548 HydrophobicContact CB-CD2 4.35Å; L64-F548 HydrophobicContact CB-CE2 4.37Å; L64-F548 HydrophobicContact CD2-CD2 4.13Å; L64-F548 HydrophobicContact CD2-CE2 4.32Å; L64-F548 HydrophobicContact CG-CD2 3.92Å; L64-F548 HydrophobicContact CG-CE2 4.31Å; R65-F548 HydrophobicContact CB-CD2 3.7Å; R65-F548 HydrophobicContact CB-CE1 4.45Å; R65-F548 HydrophobicContact CB-CE2 3.52Å; R65-F548 HydrophobicContact CB-CG 4.25Å; R65-F548 HydrophobicContact CB-CZ 3.93Å; R65-F548 HydrophobicContact CG-CD1 4.39Å; R65-F548 HydrophobicContact CG-CD2 4.33Å; R65-F548 HydrophobicContact CG-CE1 4.37Å; R65-F548 HydrophobicContact CG-CE2 4.29Å; R65-F548 HydrophobicContact CG-CG 4.38Å; R65-F548 HydrophobicContact CG-CZ 4.32Å; R65-F548 VanDerWaalsContact CZ-CE1 3.42Å; T68-F548 WeakPolarHBondContact OG1-CB 3.17Å; F548-I550 VanDerWaalsContact C-N 3.26Å; F548-I550 PolarHBondContact O-N 3.24Å; F548-V551 PolarHBondContact O-N 2.61Å; F548-V551 VanDerWaalsContact O-N 3.09Å; F548-E552 HydrophobicContact CD1-CB 4.37Å; F548-E552 HydrophobicContact CE1-CB 3.71Å; F548-E552 HydrophobicContact CE1-CG 4.05Å; F548-E552 VanDerWaalsContact CE1-OE1 3.3Å; F548-E552 WeakPolarHBondContact CE1-OE1 3.25Å; F548-E552 WeakPolarHBondContact CE1-OE2 3.47Å; F548-E552 HydrophobicContact CE2-CB 4.49Å; F548-E552 HydrophobicContact CZ-CB 3.79Å; F548-E552 HydrophobicContact CZ-CG 4.07Å; F548-E552 VanDerWaalsContact CZ-OE1 3.26Å; F548-E552 WeakPolarHBondContact CZ-OE1 3.21Å; F548-E552 PolarHBondContact O-N 2.89Å; F548-F559 HydrophobicContact CE2-CZ 4.06Å; F548-F559 HydrophobicContact CZ-CZ 4.36Å
549E98.6Very high98.5Very high54 Ų5422.3 Ų22.325%0.25211%0.109SC..Hα-helixtrans-62.9-31.3-174.7-69.168-14800112Y141 T547 V551 R553Y141-E549 WeakPolarHBondContact CE2-OE2 3.4Å; Y141-E549 PolarHBondContact OH-OE2 2.96Å; T547-E549 WeakPolarHBondContact CB-OE2 3.24Å; T547-E549 PolarHBondContact O-N 3.35Å; E549-V551 VanDerWaalsContact C-N 3.3Å; E549-V551 PolarHBondContact O-N 2.91Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 VanDerWaalsContact O-CG 3.25Å; E549-R553 WeakPolarHBondContact O-CG 3.14Å; E549-R553 PolarHBondContact O-N 2.92Å
550I98.2Very high98.5Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-64.6-39.4177.1-150-179.6000111.2Y232 W236 I375 V540 T547 F548 F554 Y555Y232-I550 HydrophobicContact CD2-CB 4.49Å; Y232-I550 HydrophobicContact CD2-CD1 4.22Å; Y232-I550 HydrophobicContact CD2-CG1 4.11Å; Y232-I550 HydrophobicContact CE2-CB 4.12Å; Y232-I550 HydrophobicContact CE2-CG1 4.21Å; W236-I550 HydrophobicContact CB-CD1 4.08Å; W236-I550 HydrophobicContact CB-CG1 4.17Å; I375-I550 HydrophobicContact CD1-CG2 4.39Å; I375-I550 HydrophobicContact CG1-CG2 4.48Å; V540-I550 HydrophobicContact CB-CD1 4.08Å; V540-I550 HydrophobicContact CG1-CD1 3.7Å; V540-I550 HydrophobicContact CG2-CD1 3.32Å; T547-I550 WeakPolarHBondContact O-CG2 3.26Å; T547-I550 PolarHBondContact O-N 3.39Å; T547-I550 PolarHBondContact OG1-N 3.48Å; F548-I550 VanDerWaalsContact C-N 3.26Å; F548-I550 PolarHBondContact O-N 3.24Å; I550-F554 HydrophobicContact CG1-CD2 3.87Å; I550-F554 WeakPolarHBondContact O-CB 3.44Å; I550-F554 PolarHBondContact O-N 3.33Å; I550-F554 VanDerWaalsContact O-N 3.12Å; I550-Y555 HydrophobicContact CD1-CE2 4.15Å; I550-Y555 HydrophobicContact CG1-CD2 4.39Å; I550-Y555 HydrophobicContact CG1-CE2 4.15Å; I550-Y555 PolarHBondContact O-N 3.46Å
551V98.8Very high98.5Very high0 Ų029.8 Ų29.80%014%0.137CC..Iπ-helixtrans-71.8-50.2179-178.30000110.4L64 G374 I375 I445 F548 E549 R553 Y555 D556 F559 L562L64-V551 HydrophobicContact CD2-CB 3.9Å; L64-V551 HydrophobicContact CD2-CG1 3.72Å; L64-V551 HydrophobicContact CD2-CG2 4.22Å; G374-V551 WeakPolarHBondContact O-CG2 3.26Å; I375-V551 HydrophobicContact CG1-CG2 3.73Å; I445-V551 HydrophobicContact CG2-CG1 4.39Å; F548-V551 PolarHBondContact O-N 2.61Å; F548-V551 VanDerWaalsContact O-N 3.09Å; E549-V551 VanDerWaalsContact C-N 3.3Å; E549-V551 PolarHBondContact O-N 2.91Å; V551-R553 PolarHBondContact O-N 2.97Å; V551-Y555 PolarHBondContact O-N 3.19Å; V551-D556 PolarHBondContact O-N 3.07Å; V551-F559 HydrophobicContact CG1-CE1 4.41Å; V551-F559 HydrophobicContact CG1-CZ 4.41Å; V551-L562 HydrophobicContact CG1-CD1 4.46Å
552E98.6Very high98.5Very high42 Ų4228.3 Ų28.320%0.19613%0.131CC..Iπ-helixtrans-64-37.3-178.2-177-178.2-111.200112.5R61 R65 F548 P557 F559R61-E552 IonicContact CZ-OE1 3.24Å; R61-E552 IonicContact NE-OE1 2.73Å; R61-E552 PolarHBondContact NE-OE1 3.35Å; R61-E552 IonicContact NH2-OE1 3.51Å; R61-E552 PolarHBondContact NH2-OE1 3.33Å; R65-E552 IonicContact NH2-OE1 2.79Å; R65-E552 PolarHBondContact NH2-OE1 3.1Å; R65-E552 IonicContact NH2-OE2 3.93Å; R65-E552 PolarHBondContact NH2-OE2 3.29Å; F548-E552 HydrophobicContact CD1-CB 4.37Å; F548-E552 HydrophobicContact CE1-CB 3.71Å; F548-E552 HydrophobicContact CE1-CG 4.05Å; F548-E552 VanDerWaalsContact CE1-OE1 3.3Å; F548-E552 WeakPolarHBondContact CE1-OE1 3.25Å; F548-E552 WeakPolarHBondContact CE1-OE2 3.47Å; F548-E552 HydrophobicContact CE2-CB 4.49Å; F548-E552 HydrophobicContact CZ-CB 3.79Å; F548-E552 HydrophobicContact CZ-CG 4.07Å; F548-E552 VanDerWaalsContact CZ-OE1 3.26Å; F548-E552 WeakPolarHBondContact CZ-OE1 3.21Å; F548-E552 PolarHBondContact O-N 2.89Å; E552-P557 WeakPolarHBondContact O-CA 3.26Å; E552-P557 VanDerWaalsContact O-CB 3.3Å; E552-P557 WeakPolarHBondContact O-CB 3.07Å; E552-P557 WeakPolarHBondContact O-CG 3.05Å; E552-F559 HydrophobicContact CB-CE2 4.27Å; E552-F559 HydrophobicContact CB-CZ 4.4Å; E552-F559 HydrophobicContact CG-CE2 4.27Å
553R98.3Very high98.5Very high120 Ų12031.4 Ų31.445%0.45314%0.143SC..Iπ-helixtrans-89.9-34.5-174-64.3173.463.6-151-4.5113.3P233 E549 V551P233-R553 PolarHBondContact O-NH1 3.4Å; P233-R553 PolarHBondContact O-NH2 3.45Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 VanDerWaalsContact O-CG 3.25Å; E549-R553 WeakPolarHBondContact O-CG 3.14Å; E549-R553 PolarHBondContact O-N 2.92Å; V551-R553 PolarHBondContact O-N 2.97Å
554F98.4Very high98.6Very high44 Ų4431.4 Ų31.419%0.19314%0.143CC..Iπ-helixtrans-117.5-47-168.1-54.6-65.1000113.4G235 W236 I550G235-F554 WeakPolarHBondContact O-CE2 3.33Å; W236-F554 HydrophobicContact CB-CB 4.09Å; W236-F554 HydrophobicContact CB-CD2 4.15Å; W236-F554 HydrophobicContact CB-CG 4.16Å; W236-F554 AromaticContact CD1-CG 3.99Å; W236-F554 HydrophobicContact CG-CB 4.22Å; W236-F554 HydrophobicContact CG-CG 4.49Å; I550-F554 HydrophobicContact CG1-CD2 3.87Å; I550-F554 WeakPolarHBondContact O-CB 3.44Å; I550-F554 PolarHBondContact O-N 3.33Å; I550-F554 VanDerWaalsContact O-N 3.12Å
555Y98.5Very high98.6Very high1 Ų131.4 Ų31.40%0.00414%0.143CC..Iπ-helixtrans-83.5-47.5-171.1-77.5-102.4000114W236 I375 I445 M448 Y538 I550 V551 R561W236-Y555 HydrophobicContact CB-CE2 4.08Å; I375-Y555 HydrophobicContact CD1-CD1 4.35Å; I375-Y555 HydrophobicContact CD1-CD2 4.2Å; I375-Y555 HydrophobicContact CD1-CE1 3.96Å; I375-Y555 HydrophobicContact CD1-CE2 3.83Å; I375-Y555 HydrophobicContact CD1-CG 4.45Å; I445-Y555 HydrophobicContact CD1-CD1 4.48Å; I445-Y555 HydrophobicContact CG1-CD1 4Å; M448-Y555 HydrophobicContact CG-CD1 4.25Å; M448-Y555 WeakPolarHBondContact CG-O 3.33Å; Y538-Y555 WeakPolarHBondContact CB-OH 3.38Å; I550-Y555 HydrophobicContact CD1-CE2 4.15Å; I550-Y555 HydrophobicContact CG1-CD2 4.39Å; I550-Y555 HydrophobicContact CG1-CE2 4.15Å; I550-Y555 PolarHBondContact O-N 3.46Å; V551-Y555 PolarHBondContact O-N 3.19Å; Y555-R561 PolarHBondContact O-NH1 3.14Å; Y555-R561 VanDerWaalsContact O-NH1 3.11Å
556D98.6Very high98.6Very high1 Ų130.8 Ų30.81%0.00514%0.14CC..  trans-15074.2-179.5-168.39.9000112.9I445 V551 T558 F559 R560 R561 L562I445-D556 HydrophobicContact CD1-CB 3.74Å; V551-D556 PolarHBondContact O-N 3.07Å; D556-T558 PolarHBondContact O-N 3.46Å; D556-T558 VanDerWaalsContact O-N 3.09Å; D556-F559 VanDerWaalsContact O-CD2 3.25Å; D556-F559 WeakPolarHBondContact O-CD2 3.48Å; D556-F559 PolarHBondContact O-N 3.3Å; D556-F559 WeakPolarHBondContact OD1-CA 3.04Å; D556-F559 PolarHBondContact OD1-N 3.05Å; D556-F559 WeakPolarHBondContact OD2-CA 3.27Å; D556-R560 PolarHBondContact OD1-N 3.05Å; D556-R560 PolarHBondContact OD2-N 3.38Å; D556-R561 WeakPolarHBondContact OD2-CA 3.47Å; D556-R561 WeakPolarHBondContact OD2-CB 3.47Å; D556-R561 PolarHBondContact OD2-N 3.03Å; D556-L562 HydrophobicContact CB-CD1 3.62Å; D556-L562 WeakPolarHBondContact OD2-CD1 3.49Å; D556-L562 PolarHBondContact OD2-N 3.21Å
557P98.4Very high98.6Very high78 Ų7831.3 Ų31.351%0.50614%0.143SC..THydrogen-bonded Turntrans-59.9-23.5-178.3-2433.9000115.5E552E552-P557 WeakPolarHBondContact O-CA 3.26Å; E552-P557 VanDerWaalsContact O-CB 3.3Å; E552-P557 WeakPolarHBondContact O-CB 3.07Å; E552-P557 WeakPolarHBondContact O-CG 3.05Å
558T98.1Very high98.6Very high69 Ų6931.3 Ų31.342%0.42314%0.143SC..THydrogen-bonded Turntrans-98.8-6.7179.367.30000113.1P57 D556 R560P57-T558 WeakPolarHBondContact CB-O 3.47Å; D556-T558 PolarHBondContact O-N 3.46Å; D556-T558 VanDerWaalsContact O-N 3.09Å; T558-R560 PolarHBondContact O-N 3.18Å; T558-R560 VanDerWaalsContact O-N 3.07Å; T558-R560 WeakPolarHBondContact OG1-CB 3.49Å; T558-R560 WeakPolarHBondContact OG1-CD 3.31Å; T558-R560 VanDerWaalsContact OG1-CG 3.26Å; T558-R560 WeakPolarHBondContact OG1-CG 3.45Å; T558-R560 PolarHBondContact OG1-N 2.99Å
559F98.8Very high98.6Very high3 Ų331.2 Ų31.21%0.01314%0.142CC..SBendtrans56.815.7-174-72.9-102.6000114.2P57 I60 R61 L64 F548 V551 E552 D556 L562 R563P57-F559 HydrophobicContact CB-CB 3.77Å; P57-F559 WeakPolarHBondContact O-CB 3.49Å; I60-F559 HydrophobicContact CG2-CD1 4.23Å; R61-F559 VanDerWaalsContact CA-CE1 3.46Å; R61-F559 HydrophobicContact CB-CD1 3.73Å; R61-F559 HydrophobicContact CB-CD2 3.76Å; R61-F559 HydrophobicContact CB-CE1 3.73Å; R61-F559 HydrophobicContact CB-CE2 3.77Å; R61-F559 HydrophobicContact CB-CG 3.75Å; R61-F559 HydrophobicContact CB-CZ 3.75Å; R61-F559 HydrophobicContact CG-CD2 3.98Å; R61-F559 HydrophobicContact CG-CE1 4.11Å; R61-F559 HydrophobicContact CG-CE2 3.54Å; R61-F559 HydrophobicContact CG-CG 4.45Å; R61-F559 HydrophobicContact CG-CZ 3.62Å; L64-F559 HydrophobicContact CB-CE1 4.46Å; L64-F559 HydrophobicContact CD2-CE1 3.78Å; L64-F559 HydrophobicContact CD2-CZ 4.19Å; F548-F559 HydrophobicContact CE2-CZ 4.06Å; F548-F559 HydrophobicContact CZ-CZ 4.36Å; V551-F559 HydrophobicContact CG1-CE1 4.41Å; V551-F559 HydrophobicContact CG1-CZ 4.41Å; E552-F559 HydrophobicContact CB-CE2 4.27Å; E552-F559 HydrophobicContact CB-CZ 4.4Å; E552-F559 HydrophobicContact CG-CE2 4.27Å; D556-F559 VanDerWaalsContact O-CD2 3.25Å; D556-F559 WeakPolarHBondContact O-CD2 3.48Å; D556-F559 PolarHBondContact O-N 3.3Å; D556-F559 WeakPolarHBondContact OD1-CA 3.04Å; D556-F559 PolarHBondContact OD1-N 3.05Å; D556-F559 WeakPolarHBondContact OD2-CA 3.27Å; F559-L562 HydrophobicContact CD1-CD2 4.04Å; F559-L562 HydrophobicContact CE1-CD2 4.19Å; F559-R563 WeakPolarHBondContact O-CB 3.24Å; F559-R563 PolarHBondContact O-N 2.84Å
560R98.5Very high98.6Very high116 Ų11628.6 Ų28.644%0.43813%0.13SC..Hα-helixtrans-72.1-35.2-179-70.9177.5-169.61704.8111.6P473 D475 D556 T558 R563 A564P473-R560 HydrophobicContact CB-CB 3.75Å; P473-R560 WeakPolarHBondContact CB-O 3.42Å; D475-R560 IonicContact OD1-NH1 3.23Å; D475-R560 PolarHBondContact OD1-NH1 3.36Å; D556-R560 PolarHBondContact OD1-N 3.05Å; D556-R560 PolarHBondContact OD2-N 3.38Å; T558-R560 PolarHBondContact O-N 3.18Å; T558-R560 VanDerWaalsContact O-N 3.07Å; T558-R560 WeakPolarHBondContact OG1-CB 3.49Å; T558-R560 WeakPolarHBondContact OG1-CD 3.31Å; T558-R560 VanDerWaalsContact OG1-CG 3.26Å; T558-R560 WeakPolarHBondContact OG1-CG 3.45Å; T558-R560 PolarHBondContact OG1-N 2.99Å; R560-R563 PolarHBondContact O-N 2.89Å; R560-A564 PolarHBondContact O-N 3.18Å
561R98.7Very high98.7Very high41 Ų4128.6 Ų28.616%0.15513%0.13CC..Hα-helixtrans-71-43177.8-62.4178.3177.41155.8110.7I445 P473 E474 Y526 Y555 D556 R563 A564 V565I445-R561 HydrophobicContact CD1-CB 4.32Å; P473-R561 HydrophobicContact CB-CG 4.22Å; P473-R561 HydrophobicContact CG-CG 3.97Å; E474-R561 IonicContact OE1-CZ 3.82Å; E474-R561 IonicContact OE1-NE 3.65Å; E474-R561 PolarHBondContact OE1-NE 2.82Å; E474-R561 IonicContact OE1-NH2 2.78Å; E474-R561 IonicContact OE2-CZ 3.27Å; E474-R561 IonicContact OE2-NE 2.94Å; E474-R561 PolarHBondContact OE2-NE 3.35Å; E474-R561 IonicContact OE2-NH2 2.77Å; E474-R561 PolarHBondContact OE2-NH2 3.19Å; Y526-R561 HydrophobicContact CD1-CB 4.24Å; Y526-R561 HydrophobicContact CD1-CG 4.09Å; Y526-R561 HydrophobicContact CD2-CB 4.05Å; Y526-R561 HydrophobicContact CE1-CB 4.4Å; Y526-R561 HydrophobicContact CE1-CG 3.91Å; Y526-R561 HydrophobicContact CE2-CB 4.23Å; Y526-R561 HydrophobicContact CE2-CG 4.42Å; Y526-R561 HydrophobicContact CG-CB 4.04Å; Y526-R561 HydrophobicContact CG-CG 4.39Å; Y555-R561 PolarHBondContact O-NH1 3.14Å; Y555-R561 VanDerWaalsContact O-NH1 3.11Å; D556-R561 WeakPolarHBondContact OD2-CA 3.47Å; D556-R561 WeakPolarHBondContact OD2-CB 3.47Å; D556-R561 PolarHBondContact OD2-N 3.03Å; R561-R563 VanDerWaalsContact C-N 3.31Å; R561-R563 PolarHBondContact O-N 3.23Å; R561-A564 PolarHBondContact O-N 3.12Å; R561-V565 WeakPolarHBondContact O-CG2 3.03Å; R561-V565 PolarHBondContact O-N 2.9Å
562L98.8Very high98.7Very high0 Ų028.8 Ų28.80%013%0.131CC..Hα-helixtrans-61.6-39.7172.8-82.776.5000111.3I60 V383 A444 I445 V551 D556 F559 V565 A566I60-L562 HydrophobicContact CG2-CB 3.99Å; I60-L562 HydrophobicContact CG2-CD2 3.83Å; V383-L562 HydrophobicContact CG2-CB 4.3Å; A444-L562 HydrophobicContact CB-CG 4.31Å; I445-L562 HydrophobicContact CB-CD1 4.03Å; I445-L562 HydrophobicContact CD1-CD1 3.95Å; I445-L562 HydrophobicContact CG2-CD1 3.72Å; I445-L562 HydrophobicContact CG2-CG 4.41Å; V551-L562 HydrophobicContact CG1-CD1 4.46Å; D556-L562 HydrophobicContact CB-CD1 3.62Å; D556-L562 WeakPolarHBondContact OD2-CD1 3.49Å; D556-L562 PolarHBondContact OD2-N 3.21Å; F559-L562 HydrophobicContact CD1-CD2 4.04Å; F559-L562 HydrophobicContact CE1-CD2 4.19Å; L562-V565 PolarHBondContact O-N 3.42Å; L562-A566 PolarHBondContact O-N 3.36Å
563R98.8Very high98.7Very high69 Ų6927 Ų2726%0.2612%0.123SC..Hα-helixtrans-60.2-46171.7177178.7-179-123.81.8112D53 M55 P57 I60 F559 R560 R561 V565 A566 Q567D53-R563 IonicContact OD1-NH2 3.78Å; M55-R563 WeakPolarHBondContact O-CD 3.13Å; M55-R563 PolarHBondContact O-NE 3.16Å; P57-R563 HydrophobicContact CG-CB 4.25Å; I60-R563 HydrophobicContact CD1-CB 4.1Å; F559-R563 WeakPolarHBondContact O-CB 3.24Å; F559-R563 PolarHBondContact O-N 2.84Å; R560-R563 PolarHBondContact O-N 2.89Å; R561-R563 VanDerWaalsContact C-N 3.31Å; R561-R563 PolarHBondContact O-N 3.23Å; R563-V565 VanDerWaalsContact C-N 3.28Å; R563-V565 PolarHBondContact O-N 3.12Å; R563-A566 WeakPolarHBondContact O-CA 3.28Å; R563-A566 WeakPolarHBondContact O-CB 3.5Å; R563-A566 PolarHBondContact O-N 3.18Å; R563-A566 VanDerWaalsContact O-N 3.1Å; R563-Q567 HydrophobicContact CG-CG 4.37Å; R563-Q567 WeakPolarHBondContact O-CG 3.33Å; R563-Q567 PolarHBondContact O-N 3.32Å
564A98.8Very high98.7Very high2 Ų221.4 Ų21.42%0.01710%0.102CC..Hα-helixtrans-59.4-40.9177.900000111.3P473 L482 Y526 R560 R561 Q567 V568P473-A564 HydrophobicContact CB-CB 4.21Å; P473-A564 HydrophobicContact CG-CB 3.85Å; L482-A564 HydrophobicContact CD2-CB 4.4Å; Y526-A564 HydrophobicContact CE2-CB 4.5Å; R560-A564 PolarHBondContact O-N 3.18Å; R561-A564 PolarHBondContact O-N 3.12Å; A564-Q567 PolarHBondContact O-N 2.86Å; A564-V568 WeakPolarHBondContact O-CG2 2.97Å; A564-V568 PolarHBondContact O-N 2.91Å
565V98.9Very high98.7Very high0 Ų020.7 Ų20.70%010%0.1CC..Hα-helixtrans-65.7-39.1174.3175.60000111.9A444 L451 A524 Y526 R561 L562 R563 Q567 V568 R569A444-V565 HydrophobicContact CB-CB 4.39Å; A444-V565 HydrophobicContact CB-CG1 3.93Å; L451-V565 HydrophobicContact CD1-CG2 4.44Å; A524-V565 WeakPolarHBondContact O-CG1 3.34Å; Y526-V565 HydrophobicContact CD2-CG2 3.78Å; R561-V565 WeakPolarHBondContact O-CG2 3.03Å; R561-V565 PolarHBondContact O-N 2.9Å; L562-V565 PolarHBondContact O-N 3.42Å; R563-V565 VanDerWaalsContact C-N 3.28Å; R563-V565 PolarHBondContact O-N 3.12Å; V565-Q567 VanDerWaalsContact C-N 3.33Å; V565-V568 PolarHBondContact O-N 2.9Å; V565-R569 HydrophobicContact CG1-CG 4.25Å; V565-R569 VanDerWaalsContact CG1-NE 3.34Å; V565-R569 WeakPolarHBondContact O-CB 3.35Å; V565-R569 WeakPolarHBondContact O-CG 3.46Å; V565-R569 PolarHBondContact O-N 3.37Å
566A98.9Very high98.7Very high0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-60.2-43.7172.800000111.9M55 I60 V383 L562 R563 V568 R569 G570M55-A566 VanDerWaalsContact SD-C 3.55Å; M55-A566 HydrophobicContact SD-CB 3.74Å; I60-A566 HydrophobicContact CD1-CB 4.13Å; V383-A566 HydrophobicContact CB-CB 4.31Å; V383-A566 VanDerWaalsContact CG1-CA 3.41Å; V383-A566 HydrophobicContact CG1-CB 3.56Å; V383-A566 HydrophobicContact CG2-CB 4.16Å; L562-A566 PolarHBondContact O-N 3.36Å; R563-A566 WeakPolarHBondContact O-CA 3.28Å; R563-A566 WeakPolarHBondContact O-CB 3.5Å; R563-A566 PolarHBondContact O-N 3.18Å; R563-A566 VanDerWaalsContact O-N 3.1Å; A566-V568 PolarHBondContact O-N 3.36Å; A566-R569 PolarHBondContact O-N 2.65Å; A566-G570 WeakPolarHBondContact O-CA 3.39Å; A566-G570 PolarHBondContact O-N 2.93Å
567Q98.9Very high98.7Very high14 Ų1420.6 Ų20.67%0.06510%0.099CC..Hα-helixtrans-65.5-38.1177-71177.7-41.800112L52 M55 I470 R563 A564 V565 G571L52-Q567 HydrophobicContact CB-CG 4.24Å; L52-Q567 HydrophobicContact CD2-CB 3.96Å; L52-Q567 HydrophobicContact CD2-CG 4.23Å; L52-Q567 VanDerWaalsContact CD2-O 3.24Å; L52-Q567 WeakPolarHBondContact CD2-O 3.35Å; L52-Q567 PolarHBondContact O-NE2 3.18Å; M55-Q567 HydrophobicContact SD-CG 4.13Å; I470-Q567 HydrophobicContact CD1-CB 3.83Å; I470-Q567 HydrophobicContact CG1-CB 4.18Å; I470-Q567 HydrophobicContact CG2-CB 4.29Å; R563-Q567 HydrophobicContact CG-CG 4.37Å; R563-Q567 WeakPolarHBondContact O-CG 3.33Å; R563-Q567 PolarHBondContact O-N 3.32Å; A564-Q567 PolarHBondContact O-N 2.86Å; V565-Q567 VanDerWaalsContact C-N 3.33Å; Q567-G571 WeakPolarHBondContact O-CA 3.31Å; Q567-G571 PolarHBondContact O-N 3.01Å
568V98.9Very high98.7Very high0 Ų018.2 Ų18.20%08%0.082CC..Hα-helixtrans-65.8-55.5174173.30000110.7L451 L466 T467 I470 L482 A524 A564 V565 A566 G570 G571 L572L451-V568 HydrophobicContact CD2-CG2 4.37Å; L466-V568 WeakPolarHBondContact CD2-O 3.44Å; T467-V568 HydrophobicContact CG2-CG2 4.04Å; I470-V568 HydrophobicContact CD1-CB 4.36Å; I470-V568 HydrophobicContact CD1-CG2 3.61Å; L482-V568 HydrophobicContact CD2-CG2 3.54Å; A524-V568 HydrophobicContact CB-CB 4.4Å; A524-V568 HydrophobicContact CB-CG1 3.58Å; A564-V568 WeakPolarHBondContact O-CG2 2.97Å; A564-V568 PolarHBondContact O-N 2.91Å; V565-V568 PolarHBondContact O-N 2.9Å; A566-V568 PolarHBondContact O-N 3.36Å; V568-G570 PolarHBondContact O-N 3.42Å; V568-G571 PolarHBondContact O-N 2.79Å; V568-L572 HydrophobicContact CG1-CD1 4.23Å; V568-L572 VanDerWaalsContact O-CG 3.25Å; V568-L572 WeakPolarHBondContact O-CG 3.12Å; V568-L572 PolarHBondContact O-N 3.35Å
569R98.9Very high98.7Very high1 Ų116.2 Ų16.20%0.0047%0.071CC..Hα-helixtrans-61.1-45.8-177.9-68.5175.2-176.9-174.8-4.9111.5L363 I439 A441 D442 S443 A524 V565 A566 I573L363-R569 HydrophobicContact CD1-CB 4.33Å; I439-R569 HydrophobicContact CG2-CB 4.4Å; I439-R569 HydrophobicContact CG2-CG 4.46Å; A441-R569 VanDerWaalsContact CA-NH1 3.27Å; A441-R569 PolarHBondContact O-NH1 3.42Å; D442-R569 VanDerWaalsContact O-CZ 3.24Å; D442-R569 PolarHBondContact O-NH1 3.02Å; D442-R569 PolarHBondContact O-NH2 2.72Å; S443-R569 PolarHBondContact O-NH2 2.97Å; A524-R569 VanDerWaalsContact O-CZ 3.26Å; A524-R569 PolarHBondContact O-NE 3.44Å; A524-R569 PolarHBondContact O-NH2 3.29Å; V565-R569 HydrophobicContact CG1-CG 4.25Å; V565-R569 VanDerWaalsContact CG1-NE 3.34Å; V565-R569 WeakPolarHBondContact O-CB 3.35Å; V565-R569 WeakPolarHBondContact O-CG 3.46Å; V565-R569 PolarHBondContact O-N 3.37Å; A566-R569 PolarHBondContact O-N 2.65Å; R569-I573 PolarHBondContact O-N 2.95Å
570G98.8Very high98.6Very high0 Ų018.9 Ų18.90%08%0.084CC..Hα-helixtrans-60.6-51.1174.700000112.5F51 A566 V568 L572 I573 F574F51-G570 VanDerWaalsContact CE1-C 3.49Å; F51-G570 WeakPolarHBondContact CE1-O 3.34Å; A566-G570 WeakPolarHBondContact O-CA 3.39Å; A566-G570 PolarHBondContact O-N 2.93Å; V568-G570 PolarHBondContact O-N 3.42Å; G570-L572 VanDerWaalsContact C-N 3.27Å; G570-L572 PolarHBondContact O-N 2.89Å; G570-I573 WeakPolarHBondContact O-CG1 3.43Å; G570-I573 PolarHBondContact O-N 2.86Å; G570-F574 WeakPolarHBondContact O-CB 3.35Å; G570-F574 PolarHBondContact O-N 2.96Å
571G98.8Very high98.6Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-61.2-37.2-178.600000112.4L466 Q567 V568 F574 L575L466-G571 VanDerWaalsContact CD2-C 3.48Å; Q567-G571 WeakPolarHBondContact O-CA 3.31Å; Q567-G571 PolarHBondContact O-N 3.01Å; V568-G571 PolarHBondContact O-N 2.79Å; G571-F574 PolarHBondContact O-N 2.89Å; G571-L575 WeakPolarHBondContact O-CB 3.38Å; G571-L575 WeakPolarHBondContact O-CG 3.35Å; G571-L575 PolarHBondContact O-N 2.88Å
572L98.9Very high98.5Very high4 Ų413 Ų132%0.0217%0.065CC..Hα-helixtrans-59.3-51.6173.5-71174.1000110.8I439 L462 V463 L466 V568 G570 F574 L575 L576I439-L572 HydrophobicContact CD1-CB 4.26Å; I439-L572 HydrophobicContact CD1-CD1 4.21Å; I439-L572 HydrophobicContact CG1-CB 4.23Å; I439-L572 HydrophobicContact CG2-CD1 4.4Å; L462-L572 HydrophobicContact CD2-CD2 3.7Å; L462-L572 HydrophobicContact CG-CD2 3.73Å; V463-L572 HydrophobicContact CG2-CD1 4.45Å; V463-L572 HydrophobicContact CG2-CD2 3.87Å; L466-L572 HydrophobicContact CD2-CB 4.49Å; L466-L572 HydrophobicContact CD2-CD2 3.96Å; L466-L572 HydrophobicContact CD2-CG 3.83Å; L466-L572 VanDerWaalsContact CD2-N 3.32Å; V568-L572 HydrophobicContact CG1-CD1 4.23Å; V568-L572 VanDerWaalsContact O-CG 3.25Å; V568-L572 WeakPolarHBondContact O-CG 3.12Å; V568-L572 PolarHBondContact O-N 3.35Å; G570-L572 VanDerWaalsContact C-N 3.27Å; G570-L572 PolarHBondContact O-N 2.89Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 2.99Å; L572-L575 PolarHBondContact O-N 3.46Å; L572-L576 WeakPolarHBondContact O-CB 3.2Å; L572-L576 VanDerWaalsContact O-CD1 3.32Å; L572-L576 WeakPolarHBondContact O-CD1 3.33Å; L572-L576 VanDerWaalsContact O-CG 3.24Å; L572-L576 WeakPolarHBondContact O-CG 3.19Å; L572-L576 PolarHBondContact O-N 3.24Å
573I98.7Very high98.5Very high4 Ų414.9 Ų14.92%0.0218%0.077CC..Hα-helixtrans-66.4-35.6-178.765.3151000111.8V361 L363 T387 V405 F407 I439 R569 G570 A577V361-I573 HydrophobicContact CG1-CB 3.95Å; V361-I573 HydrophobicContact CG1-CG2 4.13Å; L363-I573 HydrophobicContact CB-CD1 4.39Å; L363-I573 HydrophobicContact CB-CG2 4.04Å; L363-I573 HydrophobicContact CD1-CG2 4.27Å; L363-I573 HydrophobicContact CD2-CD1 4.06Å; T387-I573 HydrophobicContact CG2-CD1 4.03Å; V405-I573 HydrophobicContact CG1-CD1 4.06Å; F407-I573 HydrophobicContact CE1-CD1 3.66Å; F407-I573 HydrophobicContact CZ-CD1 4.01Å; I439-I573 HydrophobicContact CB-CG2 3.94Å; I439-I573 HydrophobicContact CG1-CG2 3.72Å; R569-I573 PolarHBondContact O-N 2.95Å; G570-I573 WeakPolarHBondContact O-CG1 3.43Å; G570-I573 PolarHBondContact O-N 2.86Å; I573-A577 WeakPolarHBondContact O-CB 3.3Å; I573-A577 PolarHBondContact O-N 2.98Å
574F98.8Very high98.5Very high3 Ų311.9 Ų11.91%0.0137%0.066CC..Hα-helixtrans-63.5-52.6178.5-174.4-78.1000109.9L48 F51 L394 W399 G570 G571 L572 L576 A577 D578L48-F574 HydrophobicContact CB-CD1 3.99Å; L48-F574 HydrophobicContact CB-CE1 3.76Å; L48-F574 HydrophobicContact CB-CZ 4.34Å; L48-F574 HydrophobicContact CD1-CB 4.09Å; L48-F574 HydrophobicContact CD1-CD1 3.64Å; L48-F574 HydrophobicContact CD1-CE1 4.31Å; L48-F574 HydrophobicContact CD1-CG 3.9Å; L48-F574 HydrophobicContact CG-CD1 4.36Å; F51-F574 HydrophobicContact CB-CD2 4.12Å; F51-F574 HydrophobicContact CB-CE2 4.23Å; F51-F574 HydrophobicContact CD1-CB 4.08Å; F51-F574 AromaticContact CD1-CD2 3.82Å; F51-F574 HydrophobicContact CD1-CD2 3.82Å; F51-F574 HydrophobicContact CD1-CG 4.21Å; F51-F574 HydrophobicContact CE1-CB 4.05Å; F51-F574 HydrophobicContact CE1-CD2 4.34Å; F51-F574 AromaticContact CG-CD2 3.9Å; F51-F574 HydrophobicContact CG-CD2 3.9Å; F51-F574 HydrophobicContact CG-CE2 4.44Å; L394-F574 HydrophobicContact CD2-CE2 4.04Å; W399-F574 HydrophobicContact CD2-CE2 4.4Å; W399-F574 AromaticContact CE2-CE2 3.54Å; W399-F574 HydrophobicContact CH2-CD2 4.29Å; W399-F574 HydrophobicContact CH2-CE2 4.26Å; W399-F574 AromaticContact CZ2-CD2 3.77Å; W399-F574 HydrophobicContact CZ2-CD2 3.77Å; W399-F574 AromaticContact CZ2-CE2 3.46Å; W399-F574 HydrophobicContact CZ2-CE2 3.46Å; W399-F574 VanDerWaalsContact CZ2-CE2 3.46Å; W399-F574 HydrophobicContact CZ2-CZ 4.22Å; W399-F574 AromaticContact NE1-CE2 3.66Å; W399-F574 AromaticContact NE1-CZ 3.69Å; G570-F574 WeakPolarHBondContact O-CB 3.35Å; G570-F574 PolarHBondContact O-N 2.96Å; G571-F574 PolarHBondContact O-N 2.89Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 2.99Å; F574-L576 PolarHBondContact O-N 3.29Å; F574-A577 PolarHBondContact O-N 3.37Å; F574-D578 HydrophobicContact CD1-CB 4.3Å; F574-D578 HydrophobicContact CE1-CB 4.02Å; F574-D578 HydrophobicContact CZ-CB 4.45Å; F574-D578 VanDerWaalsContact O-CB 3.24Å; F574-D578 WeakPolarHBondContact O-CB 3.2Å; F574-D578 PolarHBondContact O-N 2.91Å
575L98.7Very high98.5Very high28 Ų2813.2 Ų13.215%0.1477%0.073CC..Hα-helixtrans-65.6-40.4-177.9-72.4173.7000112.3L48 L462 L466 G571 L572 A577 S579L48-L575 HydrophobicContact CD1-CG 4.48Å; L48-L575 HydrophobicContact CD2-CD1 4.33Å; L48-L575 HydrophobicContact CD2-CD2 3.91Å; L48-L575 HydrophobicContact CD2-CG 4.23Å; L462-L575 HydrophobicContact CD1-CB 3.76Å; L462-L575 HydrophobicContact CD1-CD1 3.48Å; L462-L575 VanDerWaalsContact CD1-CD1 3.48Å; L462-L575 HydrophobicContact CD1-CG 4.25Å; L466-L575 HydrophobicContact CB-CD1 4.34Å; L466-L575 HydrophobicContact CD1-CD1 4.11Å; G571-L575 WeakPolarHBondContact O-CB 3.38Å; G571-L575 WeakPolarHBondContact O-CG 3.35Å; G571-L575 PolarHBondContact O-N 2.88Å; L572-L575 PolarHBondContact O-N 3.46Å; L575-A577 VanDerWaalsContact C-N 3.32Å; L575-A577 PolarHBondContact O-N 3.46Å; L575-S579 WeakPolarHBondContact O-CB 3.47Å; L575-S579 PolarHBondContact O-N 3.25Å; L575-S579 PolarHBondContact O-OG 3.34Å
576L98.8Very high98.4Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-64.5-37174.1-71.7161.8000112V361 R403 V436 A437 I439 L459 L462 L572 F574 P583 L584V361-L576 HydrophobicContact CG1-CB 3.87Å; V361-L576 HydrophobicContact CG1-CD1 4.43Å; V361-L576 HydrophobicContact CG2-CB 3.86Å; R403-L576 PolarHBondContact NH1-O 2.97Å; V436-L576 HydrophobicContact CG1-CD2 4.32Å; A437-L576 HydrophobicContact CB-CD1 3.84Å; A437-L576 HydrophobicContact CB-CD2 4.4Å; I439-L576 HydrophobicContact CD1-CD1 4.16Å; I439-L576 HydrophobicContact CG1-CD1 4.37Å; L459-L576 HydrophobicContact CD2-CD1 4.21Å; L459-L576 HydrophobicContact CD2-CD2 4.05Å; L462-L576 HydrophobicContact CD2-CD1 4.19Å; L462-L576 HydrophobicContact CD2-CD2 4Å; L462-L576 HydrophobicContact CD2-CG 3.81Å; L572-L576 WeakPolarHBondContact O-CB 3.2Å; L572-L576 VanDerWaalsContact O-CD1 3.32Å; L572-L576 WeakPolarHBondContact O-CD1 3.33Å; L572-L576 VanDerWaalsContact O-CG 3.24Å; L572-L576 WeakPolarHBondContact O-CG 3.19Å; L572-L576 PolarHBondContact O-N 3.24Å; F574-L576 PolarHBondContact O-N 3.29Å; L576-P583 HydrophobicContact CD2-CG 4.15Å; L576-L584 HydrophobicContact CD2-CD2 4.15Å
577A98.7Very high98.4Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-82.3-28.5-176.900000113.7V361 P401 R402 R403 V405 I573 F574 L575V361-A577 HydrophobicContact CB-CB 4.22Å; V361-A577 HydrophobicContact CG2-CB 4.01Å; P401-A577 HydrophobicContact CB-CB 4.06Å; R402-A577 WeakPolarHBondContact CB-O 3.4Å; R402-A577 PolarHBondContact N-O 3.23Å; R403-A577 WeakPolarHBondContact CB-O 3.45Å; R403-A577 PolarHBondContact N-O 3.15Å; V405-A577 HydrophobicContact CG2-CB 3.49Å; V405-A577 VanDerWaalsContact CG2-CB 3.49Å; I573-A577 WeakPolarHBondContact O-CB 3.3Å; I573-A577 PolarHBondContact O-N 2.98Å; F574-A577 PolarHBondContact O-N 3.37Å; L575-A577 VanDerWaalsContact C-N 3.32Å; L575-A577 PolarHBondContact O-N 3.46Å
578D98.1Very high98.3Very high28 Ų2816.6 Ų16.615%0.159%0.091CC..Hα-helixtrans-107.6-26.4-170.2-151.752.8000114S44 P401 R402 F574 Q580S44-D578 WeakPolarHBondContact CB-OD2 3.33Å; S44-D578 PolarHBondContact OG-OD2 3.21Å; P401-D578 WeakPolarHBondContact CA-OD1 3.47Å; R402-D578 PolarHBondContact N-OD1 2.9Å; F574-D578 HydrophobicContact CD1-CB 4.3Å; F574-D578 HydrophobicContact CE1-CB 4.02Å; F574-D578 HydrophobicContact CZ-CB 4.45Å; F574-D578 VanDerWaalsContact O-CB 3.24Å; F574-D578 WeakPolarHBondContact O-CB 3.2Å; F574-D578 PolarHBondContact O-N 2.91Å; D578-Q580 PolarHBondContact O-N 3.43Å
579S97.5Very high98.3Very high27 Ų2716.6 Ų16.619%0.1899%0.091CC..  trans-63.8133.8-178-590000111.9R403 L575 V581R403-S579 PolarHBondContact NH1-O 3.28Å; R403-S579 PolarHBondContact NH2-O 2.86Å; L575-S579 WeakPolarHBondContact O-CB 3.47Å; L575-S579 PolarHBondContact O-N 3.25Å; L575-S579 PolarHBondContact O-OG 3.34Å; S579-V581 WeakPolarHBondContact CB-O 3.4Å
580Q96.4Very high98.3Very high60 Ų6016.6 Ų16.628%0.289%0.091SC..SBendtrans-59.9-52.4-179.1-179176.828.300112R403 D578 K644 V650 N654R403-Q580 PolarHBondContact NH2-O 2.82Å; D578-Q580 PolarHBondContact O-N 3.43Å; Q580-K644 PolarHBondContact NE2-O 3.37Å; Q580-V650 HydrophobicContact CG-CG1 3.98Å; Q580-V650 WeakPolarHBondContact O-CG1 3.23Å; Q580-N654 PolarHBondContact O-ND2 3.11Å
581V98Very high98.2Very high29 Ų2919.3 Ų19.318%0.17611%0.106CC..SBendtrans-94136.1167.2179.10000107.6S579 L639 L642 V650 N654 L657S579-V581 WeakPolarHBondContact CB-O 3.4Å; V581-L639 HydrophobicContact CG1-CD1 3.89Å; V581-L639 HydrophobicContact CG1-CD2 4.15Å; V581-L639 HydrophobicContact CG1-CG 4.35Å; V581-L642 HydrophobicContact CG2-CD2 3.98Å; V581-V650 HydrophobicContact CG2-CG1 4.46Å; V581-N654 WeakPolarHBondContact CA-OD1 3.25Å; V581-L657 HydrophobicContact CG1-CD1 4.1Å
582L98.6Very high98Very high5 Ų519.7 Ų19.73%0.02611%0.108CC..  trans-60129.7177.4-74.6175.8000110.1V436 L584 N654 L657 M658V436-L582 HydrophobicContact CG1-CD1 4.03Å; V436-L582 HydrophobicContact CG1-CD2 3.43Å; V436-L582 VanDerWaalsContact CG1-CD2 3.43Å; V436-L582 HydrophobicContact CG1-CG 4.39Å; V436-L582 HydrophobicContact CG2-CD1 4.49Å; V436-L582 HydrophobicContact CG2-CD2 4.31Å; L582-L584 HydrophobicContact CB-CD1 4.33Å; L582-L584 HydrophobicContact CB-CG 4.22Å; L582-L584 HydrophobicContact CD1-CD1 4.26Å; L582-L584 PolarHBondContact O-N 3.35Å; L582-N654 HydrophobicContact CD1-CB 4.18Å; L582-N654 WeakPolarHBondContact CD1-O 3.37Å; L582-N654 HydrophobicContact CG-CB 4.31Å; L582-N654 PolarHBondContact N-OD1 3.01Å; L582-L657 HydrophobicContact CB-CB 4.38Å; L582-L657 HydrophobicContact CB-CD1 4Å; L582-L657 HydrophobicContact CD1-CB 4.37Å; L582-L657 WeakPolarHBondContact O-CD1 3.29Å; L582-M658 HydrophobicContact CD1-CB 4.01Å
583P97.9Very high98Very high39 Ų3919.5 Ų19.525%0.25311%0.107SC..  trans-8056.4178.934.5-36.8000110.8L462 L576L462-P583 HydrophobicContact CB-CB 4.47Å; L462-P583 HydrophobicContact CD1-CB 4.01Å; L462-P583 HydrophobicContact CD1-CG 3.93Å; L462-P583 HydrophobicContact CD2-CG 3.97Å; L462-P583 HydrophobicContact CG-CG 4.41Å; L576-P583 HydrophobicContact CD2-CG 4.15Å
584L98.5Very high97.9Very high6 Ų624.4 Ų24.43%0.03113%0.125CC..  trans-111.4136177.9-63.6179.5000109.3S458 L459 L576 L582 L657S458-L584 WeakPolarHBondContact O-CA 3.37Å; L459-L584 HydrophobicContact CD2-CD2 3.54Å; L459-L584 HydrophobicContact CG-CD2 4.14Å; L576-L584 HydrophobicContact CD2-CD2 4.15Å; L582-L584 HydrophobicContact CB-CD1 4.33Å; L582-L584 HydrophobicContact CB-CG 4.22Å; L582-L584 HydrophobicContact CD1-CD1 4.26Å; L582-L584 PolarHBondContact O-N 3.35Å; L584-L657 HydrophobicContact CB-CB 4.35Å; L584-L657 HydrophobicContact CB-CD2 4.1Å; L584-L657 HydrophobicContact CD1-CB 4.3Å; L584-L657 WeakPolarHBondContact O-CD2 3.49Å
585D98.3Very high97.8Very high30 Ų3026.9 Ų26.916%0.1614%0.136CC..  trans-117.8105.6-174.1-167.5-15.4000112.7S458 T461 N587 E588 H636S458-D585 WeakPolarHBondContact CA-O 3.39Å; S458-D585 PolarHBondContact O-N 3.31Å; T461-D585 PolarHBondContact OG1-OD2 2.73Å; T461-D585 VanDerWaalsContact OG1-OD2 3.06Å; D585-N587 VanDerWaalsContact C-N 3.27Å; D585-N587 PolarHBondContact O-N 3.3Å; D585-N587 VanDerWaalsContact OD1-CB 3.3Å; D585-N587 WeakPolarHBondContact OD1-CB 3.11Å; D585-N587 PolarHBondContact OD1-N 2.89Å; D585-E588 HydrophobicContact CB-CB 4.43Å; D585-E588 HydrophobicContact CB-CG 4.18Å; D585-E588 PolarHBondContact O-N 2.93Å; D585-H636 IonicContact OD1-CD2 3.46Å; D585-H636 IonicContact OD1-CE1 3.37Å; D585-H636 PolarHBondContact OD1-CE1 2.94Å; D585-H636 IonicContact OD1-NE2 2.67Å; D585-H636 PolarHBondContact OD1-NE2 3.24Å
586A98.3Very high97.7Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-66.4-23.6176.200000114.1Y589 A590 A632 H636 L660 L735A586-Y589 WeakPolarHBondContact O-CB 3.4Å; A586-Y589 PolarHBondContact O-N 3.3Å; A586-A590 PolarHBondContact O-N 3.3Å; A586-A632 HydrophobicContact CB-CB 3.87Å; A586-H636 PolarHBondContact N-NE2 3.05Å; A586-L660 HydrophobicContact CB-CD2 3.84Å; A586-L735 HydrophobicContact CB-CD1 3.96Å
587N98.3Very high97.6Very high55 Ų5526.9 Ų26.929%0.29413%0.134SC..Hα-helixtrans-70-37.8179.5-66.9-41.7000111.3D585 Y589 A590 D591 K633 H636D585-N587 VanDerWaalsContact C-N 3.27Å; D585-N587 PolarHBondContact O-N 3.3Å; D585-N587 VanDerWaalsContact OD1-CB 3.3Å; D585-N587 WeakPolarHBondContact OD1-CB 3.11Å; D585-N587 PolarHBondContact OD1-N 2.89Å; N587-Y589 PolarHBondContact O-N 2.85Å; N587-A590 WeakPolarHBondContact O-CB 3.44Å; N587-A590 PolarHBondContact O-N 3.11Å; N587-A590 VanDerWaalsContact O-N 3.08Å; N587-D591 PolarHBondContact O-N 2.74Å; N587-K633 PolarHBondContact OD1-N 3.11Å; N587-H636 VanDerWaalsContact CG-CD2 3.46Å; N587-H636 PolarHBondContact ND2-CD2 3.22Å
588E97.5Very high97.5Very high29 Ų2930.8 Ų30.814%0.13616%0.155CC..Hα-helixtrans-59.5-34173.3-76.4-74.5158.300111.7P457 H460 R496 D585 S592P457-E588 HydrophobicContact CB-CB 4.38Å; P457-E588 WeakPolarHBondContact O-CB 3.42Å; H460-E588 HydrophobicContact CB-CB 4.37Å; H460-E588 HydrophobicContact CB-CG 3.93Å; H460-E588 WeakPolarHBondContact CB-OE2 3.48Å; H460-E588 IonicContact CE1-OE2 2.79Å; H460-E588 IonicContact CG-OE2 3.17Å; H460-E588 IonicContact ND1-OE2 2.88Å; H460-E588 PolarHBondContact ND1-OE2 2.8Å; R496-E588 IonicContact CZ-OE2 2.85Å; R496-E588 IonicContact NH1-OE1 3.98Å; R496-E588 PolarHBondContact NH1-OE1 2.98Å; R496-E588 IonicContact NH1-OE2 3.37Å; R496-E588 PolarHBondContact NH1-OE2 3.19Å; R496-E588 IonicContact NH2-OE2 3.71Å; D585-E588 HydrophobicContact CB-CB 4.43Å; D585-E588 HydrophobicContact CB-CG 4.18Å; D585-E588 PolarHBondContact O-N 2.93Å; E588-S592 WeakPolarHBondContact O-CB 3.5Å; E588-S592 PolarHBondContact O-N 3.35Å; E588-S592 VanDerWaalsContact O-N 3.09Å; E588-S592 PolarHBondContact O-OG 3.1Å
589Y97.7Very high97.4Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-69.7-43.5173.9-144.5-61000111.6P457 A586 N587 D591 S592 L593 F628 E661 F664 H678 I680 F681P457-Y589 HydrophobicContact CB-CD2 3.99Å; P457-Y589 HydrophobicContact CB-CG 4.1Å; P457-Y589 HydrophobicContact CG-CD2 4.14Å; P457-Y589 HydrophobicContact CG-CE2 4.32Å; P457-Y589 HydrophobicContact CG-CG 4.33Å; A586-Y589 WeakPolarHBondContact O-CB 3.4Å; A586-Y589 PolarHBondContact O-N 3.3Å; N587-Y589 PolarHBondContact O-N 2.85Å; Y589-D591 PolarHBondContact O-N 3.48Å; Y589-S592 PolarHBondContact O-N 2.99Å; Y589-L593 HydrophobicContact CD1-CD1 3.64Å; Y589-L593 HydrophobicContact CD1-CD2 4.41Å; Y589-L593 HydrophobicContact CD1-CG 3.67Å; Y589-L593 HydrophobicContact CE1-CD1 3.91Å; Y589-L593 HydrophobicContact CE1-CD2 3.99Å; Y589-L593 HydrophobicContact CE1-CG 3.76Å; Y589-L593 WeakPolarHBondContact O-CG 3.44Å; Y589-L593 PolarHBondContact O-N 3Å; Y589-F628 HydrophobicContact CD1-CE1 4.44Å; Y589-F628 HydrophobicContact CD1-CZ 4.27Å; Y589-F628 HydrophobicContact CG-CZ 4.39Å; Y589-E661 WeakPolarHBondContact CE2-OE1 3.29Å; Y589-E661 PolarHBondContact OH-OE1 3.46Å; Y589-F664 AromaticContact CD1-CE2 3.97Å; Y589-F664 HydrophobicContact CD1-CE2 3.97Å; Y589-F664 AromaticContact CD1-CZ 3.81Å; Y589-F664 HydrophobicContact CD1-CZ 3.81Å; Y589-F664 HydrophobicContact CD2-CE2 4.12Å; Y589-F664 HydrophobicContact CE1-CD2 4.13Å; Y589-F664 HydrophobicContact CE1-CE1 4.11Å; Y589-F664 AromaticContact CE1-CE2 3.41Å; Y589-F664 HydrophobicContact CE1-CE2 3.41Å; Y589-F664 VanDerWaalsContact CE1-CE2 3.41Å; Y589-F664 AromaticContact CE1-CZ 3.38Å; Y589-F664 HydrophobicContact CE1-CZ 3.38Å; Y589-F664 HydrophobicContact CE2-CD2 4.05Å; Y589-F664 AromaticContact CE2-CE2 3.56Å; Y589-F664 HydrophobicContact CE2-CE2 3.56Å; Y589-F664 HydrophobicContact CE2-CZ 4.37Å; Y589-F664 HydrophobicContact CG-CE2 4.31Å; Y589-F664 HydrophobicContact CG-CZ 4.48Å; Y589-F664 AromaticContact CZ-CD2 3.57Å; Y589-F664 AromaticContact CZ-CE2 3.17Å; Y589-F664 AromaticContact CZ-CZ 3.7Å; Y589-F664 VanDerWaalsContact OH-CD2 3.23Å; Y589-F664 WeakPolarHBondContact OH-CD2 3.49Å; Y589-F664 WeakPolarHBondContact OH-CE2 3.38Å; Y589-H678 PolarHBondContact OH-CE1 2.79Å; Y589-I680 HydrophobicContact CE1-CG1 4.46Å; Y589-I680 HydrophobicContact CE1-CG2 4.39Å; Y589-F681 HydrophobicContact CE2-CE2 4.39Å; Y589-F681 AromaticContact CZ-CE2 3.87Å; Y589-F681 VanDerWaalsContact OH-CE2 3.26Å; Y589-F681 WeakPolarHBondContact OH-CE2 3.44Å
590A98.2Very high97.3Very high2 Ų231.9 Ų31.92%0.01716%0.164CC..Hα-helixtrans-58.9-45.1176.600000112.2A586 N587 S592 L593 R594 F628 T629 A632A586-A590 PolarHBondContact O-N 3.3Å; N587-A590 WeakPolarHBondContact O-CB 3.44Å; N587-A590 PolarHBondContact O-N 3.11Å; N587-A590 VanDerWaalsContact O-N 3.08Å; A590-S592 VanDerWaalsContact C-N 3.33Å; A590-S592 PolarHBondContact O-N 3.18Å; A590-L593 PolarHBondContact O-N 2.85Å; A590-R594 PolarHBondContact O-N 2.8Å; A590-R594 VanDerWaalsContact O-N 3.12Å; A590-F628 HydrophobicContact CB-CD1 3.82Å; A590-F628 HydrophobicContact CB-CE1 3.94Å; A590-T629 HydrophobicContact CB-CG2 4.26Å; A590-A632 HydrophobicContact CB-CB 4.3Å
591D96.6Very high97.4Very high57 Ų5729.6 Ų29.631%0.30516%0.156SC..Hα-helixtrans-63.5-39.1175.8-82.6-31.4000112.4N587 Y589 R594 K595N587-D591 PolarHBondContact O-N 2.74Å; Y589-D591 PolarHBondContact O-N 3.48Å; D591-R594 IonicContact OD1-CZ 3.11Å; D591-R594 VanDerWaalsContact OD1-CZ 3.27Å; D591-R594 IonicContact OD1-NH1 2.67Å; D591-R594 PolarHBondContact OD1-NH1 3.37Å; D591-R594 IonicContact OD1-NH2 2.7Å; D591-R594 PolarHBondContact OD1-NH2 3.07Å; D591-K595 WeakPolarHBondContact O-CG 3.46Å; D591-K595 PolarHBondContact O-N 3.16Å
592S96.1Very high97.3Very high7 Ų735.1 Ų35.15%0.04918%0.18CC..Hα-helixtrans-67.5-44177.5-620000111.9P457 E588 Y589 A590 R594 K595 Y596P457-S592 WeakPolarHBondContact CG-OG 3.38Å; E588-S592 WeakPolarHBondContact O-CB 3.5Å; E588-S592 PolarHBondContact O-N 3.35Å; E588-S592 VanDerWaalsContact O-N 3.09Å; E588-S592 PolarHBondContact O-OG 3.1Å; Y589-S592 PolarHBondContact O-N 2.99Å; A590-S592 VanDerWaalsContact C-N 3.33Å; A590-S592 PolarHBondContact O-N 3.18Å; S592-R594 VanDerWaalsContact C-N 3.34Å; S592-R594 PolarHBondContact O-N 2.74Å; S592-K595 PolarHBondContact O-N 2.99Å; S592-Y596 WeakPolarHBondContact O-CD1 3.22Å; S592-Y596 VanDerWaalsContact O-CD2 3.24Å; S592-Y596 WeakPolarHBondContact O-CD2 3.27Å; S592-Y596 PolarHBondContact O-N 2.89Å
593L98.3Very high97Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-60.4-41.3177.4-79171.1000112.5Y589 A590 Y596 A597 V625 F628 F664 I680 F694 V728Y589-L593 HydrophobicContact CD1-CD1 3.64Å; Y589-L593 HydrophobicContact CD1-CD2 4.41Å; Y589-L593 HydrophobicContact CD1-CG 3.67Å; Y589-L593 HydrophobicContact CE1-CD1 3.91Å; Y589-L593 HydrophobicContact CE1-CD2 3.99Å; Y589-L593 HydrophobicContact CE1-CG 3.76Å; Y589-L593 WeakPolarHBondContact O-CG 3.44Å; Y589-L593 PolarHBondContact O-N 3Å; A590-L593 PolarHBondContact O-N 2.85Å; L593-Y596 PolarHBondContact O-N 3.38Å; L593-A597 WeakPolarHBondContact O-CB 3.42Å; L593-A597 PolarHBondContact O-N 3.33Å; L593-V625 HydrophobicContact CB-CG1 4.26Å; L593-V625 HydrophobicContact CB-CG2 4.29Å; L593-F628 HydrophobicContact CD1-CD1 3.7Å; L593-F628 HydrophobicContact CD1-CD2 4.17Å; L593-F628 HydrophobicContact CD1-CE1 3.87Å; L593-F628 HydrophobicContact CD1-CE2 4.31Å; L593-F628 HydrophobicContact CD1-CG 3.87Å; L593-F628 HydrophobicContact CD1-CZ 4.17Å; L593-F664 HydrophobicContact CD1-CE1 4.35Å; L593-F664 HydrophobicContact CD1-CZ 4.25Å; L593-I680 HydrophobicContact CD2-CD1 3.67Å; L593-I680 HydrophobicContact CD2-CG1 4.1Å; L593-I680 HydrophobicContact CD2-CG2 3.95Å; L593-F694 HydrophobicContact CD2-CZ 3.97Å; L593-V728 HydrophobicContact CD1-CG1 4.13Å; L593-V728 HydrophobicContact CD2-CG2 4.02Å
594R97.6Very high96.9Very high107 Ų10736.3 Ų36.340%0.40418%0.184SC..Hα-helixtrans-55.5-52.9173.5-177178.868-120.4-3.6110.8A590 D591 S592 Y596 A597 D598 V625A590-R594 PolarHBondContact O-N 2.8Å; A590-R594 VanDerWaalsContact O-N 3.12Å; D591-R594 IonicContact OD1-CZ 3.11Å; D591-R594 VanDerWaalsContact OD1-CZ 3.27Å; D591-R594 IonicContact OD1-NH1 2.67Å; D591-R594 PolarHBondContact OD1-NH1 3.37Å; D591-R594 IonicContact OD1-NH2 2.7Å; D591-R594 PolarHBondContact OD1-NH2 3.07Å; S592-R594 VanDerWaalsContact C-N 3.34Å; S592-R594 PolarHBondContact O-N 2.74Å; R594-Y596 VanDerWaalsContact C-N 3.31Å; R594-Y596 PolarHBondContact O-N 3.04Å; R594-A597 PolarHBondContact O-N 3.04Å; R594-D598 VanDerWaalsContact O-CG 3.3Å; R594-D598 PolarHBondContact O-N 2.72Å; R594-V625 HydrophobicContact CB-CG1 4.22Å
595K95.2Very high96.7Very high55 Ų5541.1 Ų41.124%0.23921%0.206CC..Hα-helixtrans-60.8-40.1-179.6-65.8167.3-171.2-178.90112.4D495 D591 S592 S599D495-K595 WeakPolarHBondContact OD1-CE 3.32Å; D495-K595 IonicContact OD1-NZ 2.82Å; D495-K595 PolarHBondContact OD1-NZ 2.71Å; D495-K595 WeakPolarHBondContact OD2-CE 3.48Å; D495-K595 IonicContact OD2-NZ 3.7Å; D495-K595 PolarHBondContact OD2-NZ 2.96Å; D591-K595 WeakPolarHBondContact O-CG 3.46Å; D591-K595 PolarHBondContact O-N 3.16Å; S592-K595 PolarHBondContact O-N 2.99Å; K595-S599 VanDerWaalsContact O-CB 3.32Å; K595-S599 WeakPolarHBondContact O-CB 3.48Å; K595-S599 PolarHBondContact O-N 2.77Å
596Y96.8Very high96.5Very high29 Ų2944.2 Ų44.211%0.11423%0.226CC..Hα-helixtrans-69.1-39.7178.9-58.6-22.3000112K503 S592 L593 R594 S599 I600 I680 F681K503-Y596 HydrophobicContact CD-CE1 3.92Å; S592-Y596 WeakPolarHBondContact O-CD1 3.22Å; S592-Y596 VanDerWaalsContact O-CD2 3.24Å; S592-Y596 WeakPolarHBondContact O-CD2 3.27Å; S592-Y596 PolarHBondContact O-N 2.89Å; L593-Y596 PolarHBondContact O-N 3.38Å; R594-Y596 VanDerWaalsContact C-N 3.31Å; R594-Y596 PolarHBondContact O-N 3.04Å; Y596-S599 PolarHBondContact O-N 3.49Å; Y596-I600 WeakPolarHBondContact O-CG2 3.43Å; Y596-I600 PolarHBondContact O-N 2.82Å; Y596-I680 HydrophobicContact CD2-CG2 3.99Å; Y596-I680 HydrophobicContact CE2-CG2 4.25Å; Y596-F681 HydrophobicContact CD2-CE1 4.31Å; Y596-F681 HydrophobicContact CD2-CZ 4.49Å; Y596-F681 AromaticContact CE2-CE1 3.4Å; Y596-F681 HydrophobicContact CE2-CE1 3.4Å; Y596-F681 VanDerWaalsContact CE2-CE1 3.4Å; Y596-F681 AromaticContact CE2-CZ 3.49Å; Y596-F681 HydrophobicContact CE2-CZ 3.49Å; Y596-F681 VanDerWaalsContact CE2-CZ 3.49Å; Y596-F681 AromaticContact CZ-CE1 3.73Å
597A98Very high96.4Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-64.9-43.1176.300000111L593 R594 I600 A601 L621 F622 V625 F694L593-A597 WeakPolarHBondContact O-CB 3.42Å; L593-A597 PolarHBondContact O-N 3.33Å; R594-A597 PolarHBondContact O-N 3.04Å; A597-I600 WeakPolarHBondContact O-CG2 3.18Å; A597-A601 WeakPolarHBondContact O-CB 3.43Å; A597-A601 PolarHBondContact O-N 2.74Å; A597-L621 HydrophobicContact CB-CD2 4.18Å; A597-L621 HydrophobicContact CB-CG 4.32Å; A597-F622 HydrophobicContact CB-CD1 4.25Å; A597-F622 HydrophobicContact CB-CE1 3.88Å; A597-F622 HydrophobicContact CB-CZ 4.45Å; A597-V625 HydrophobicContact CB-CG2 4.14Å; A597-F694 HydrophobicContact CB-CE2 4.33Å
598D96.5Very high96.2Very high81 Ų8144.3 Ų44.343%0.43323%0.23SC..Hα-helixtrans-60.9-46.7174-68.3-30.9000111.3R594 A601 H602 F622R594-D598 VanDerWaalsContact O-CG 3.3Å; R594-D598 PolarHBondContact O-N 2.72Å; D598-A601 PolarHBondContact O-N 3.38Å; D598-H602 VanDerWaalsContact O-CB 3.29Å; D598-H602 WeakPolarHBondContact O-CB 3.3Å; D598-H602 PolarHBondContact O-N 2.82Å; D598-F622 WeakPolarHBondContact OD1-CE1 3.39Å
599S95.3Very high96.1Very high73 Ų7348.7 Ų48.751%0.5125%0.25SS..Hα-helixtrans-62.9-44.6-179.1-174.30000112.7K595 Y596 H602 L603K595-S599 VanDerWaalsContact O-CB 3.32Å; K595-S599 WeakPolarHBondContact O-CB 3.48Å; K595-S599 PolarHBondContact O-N 2.77Å; Y596-S599 PolarHBondContact O-N 3.49Å; S599-H602 PolarHBondContact O-N 2.63Å; S599-L603 PolarHBondContact O-N 3.03Å
600I96.2Very high96.1Very high5 Ų551.4 Ų51.43%0.02627%0.265CS..Hα-helixtrans-73.8-35.3-178.7-166.962.1000111.6Y596 A597 L603 A604 F618 L621 F694 I697 Y698 L701Y596-I600 WeakPolarHBondContact O-CG2 3.43Å; Y596-I600 PolarHBondContact O-N 2.82Å; A597-I600 WeakPolarHBondContact O-CG2 3.18Å; I600-L603 HydrophobicContact CD1-CD2 4.05Å; I600-L603 PolarHBondContact O-N 3.09Å; I600-A604 PolarHBondContact O-N 3.28Å; I600-F618 HydrophobicContact CG2-CE1 4Å; I600-L621 HydrophobicContact CG2-CD2 4.34Å; I600-F694 HydrophobicContact CG2-CD2 3.96Å; I600-I697 HydrophobicContact CD1-CB 4.32Å; I600-I697 HydrophobicContact CD1-CG2 4.08Å; I600-I697 HydrophobicContact CG1-CB 3.92Å; I600-I697 HydrophobicContact CG1-CG2 3.58Å; I600-Y698 HydrophobicContact CD1-CD2 4.46Å; I600-L701 HydrophobicContact CD1-CD1 4.31Å
601A96.7Very high96Very high13 Ų1352 Ų5211%0.10727%0.267CS..Hα-helixtrans-64.7-42.7173.100000110.8A597 D598 L603 A604 Q605 F618 F622A597-A601 WeakPolarHBondContact O-CB 3.43Å; A597-A601 PolarHBondContact O-N 2.74Å; D598-A601 PolarHBondContact O-N 3.38Å; A601-L603 PolarHBondContact O-N 3.1Å; A601-A604 WeakPolarHBondContact O-CB 3.46Å; A601-A604 PolarHBondContact O-N 3.42Å; A601-Q605 WeakPolarHBondContact O-CG 3.1Å; A601-Q605 PolarHBondContact O-N 3.37Å; A601-F618 HydrophobicContact CB-CD1 4.21Å; A601-F618 HydrophobicContact CB-CG 4.26Å; A601-F622 HydrophobicContact CB-CE2 3.97Å; A601-F622 HydrophobicContact CB-CZ 3.82Å
602H96Very high96Very high144 Ų14456 Ų5667%0.66728%0.282SS*.Hα-helixtrans-61.7-41.8175.5-176.166.8000112.3D598 S599 A604 Q605D598-H602 VanDerWaalsContact O-CB 3.29Å; D598-H602 WeakPolarHBondContact O-CB 3.3Å; D598-H602 PolarHBondContact O-N 2.82Å; S599-H602 PolarHBondContact O-N 2.63Å; H602-A604 VanDerWaalsContact C-N 3.33Å; H602-A604 PolarHBondContact O-N 3.14Å; H602-Q605 WeakPolarHBondContact O-CB 3.22Å; H602-Q605 PolarHBondContact O-N 3.04Å
603L93.9Very high96Very high68 Ų6860.6 Ų60.636%0.35631%0.31SS..Hα-helixtrans-58.4-46.1172.9-179.564.3000111.2S599 I600 A601 Q605 T606 Y698S599-L603 PolarHBondContact O-N 3.03Å; I600-L603 HydrophobicContact CD1-CD2 4.05Å; I600-L603 PolarHBondContact O-N 3.09Å; A601-L603 PolarHBondContact O-N 3.1Å; L603-Q605 PolarHBondContact O-N 3.49Å; L603-T606 WeakPolarHBondContact O-CB 3.11Å; L603-T606 WeakPolarHBondContact O-CG2 3.38Å; L603-T606 PolarHBondContact O-N 3.23Å; L603-T606 PolarHBondContact O-OG1 3.19Å; L603-Y698 HydrophobicContact CD2-CD2 3.71Å; L603-Y698 HydrophobicContact CD2-CE2 3.87Å
604A94.9Very high96Very high1 Ų163.3 Ų63.31%0.00832%0.32CS..Hα-helixtrans-63-28.3179.100000113.3I600 A601 H602 T606 H607 M611 F618 L701I600-A604 PolarHBondContact O-N 3.28Å; A601-A604 WeakPolarHBondContact O-CB 3.46Å; A601-A604 PolarHBondContact O-N 3.42Å; H602-A604 VanDerWaalsContact C-N 3.33Å; H602-A604 PolarHBondContact O-N 3.14Å; A604-T606 PolarHBondContact O-N 3.08Å; A604-T606 VanDerWaalsContact O-N 3.15Å; A604-H607 PolarHBondContact O-N 2.64Å; A604-M611 HydrophobicContact CB-CE 4.5Å; A604-M611 HydrophobicContact CB-SD 3.73Å; A604-M611 VanDerWaalsContact O-SD 3.35Å; A604-F618 HydrophobicContact CB-CE2 3.6Å; A604-F618 HydrophobicContact CB-CZ 3.72Å; A604-L701 HydrophobicContact CB-CD1 3.82Å; A604-L701 HydrophobicContact CB-CD2 4.44Å
605Q94.8Very high96Very high107 Ų10764.1 Ų64.150%0.533%0.333SS..G310 helixtrans-64-16.2177.2-70.1-59.5-24.700113.9A601 H602 L603 H607 A608A601-Q605 WeakPolarHBondContact O-CG 3.1Å; A601-Q605 PolarHBondContact O-N 3.37Å; H602-Q605 WeakPolarHBondContact O-CB 3.22Å; H602-Q605 PolarHBondContact O-N 3.04Å; L603-Q605 PolarHBondContact O-N 3.49Å; Q605-H607 PolarHBondContact O-N 3.4Å; Q605-H607 VanDerWaalsContact O-N 3.13Å; Q605-A608 WeakPolarHBondContact O-CB 3.24Å; Q605-A608 PolarHBondContact O-N 3.47Å
606T94.3Very high96.1Very high95 Ų9562.1 Ų62.158%0.58333%0.325SS*.G310 helixtrans-60.1-18.6168.860.60000112.6L603 A604L603-T606 WeakPolarHBondContact O-CB 3.11Å; L603-T606 WeakPolarHBondContact O-CG2 3.38Å; L603-T606 PolarHBondContact O-N 3.23Å; L603-T606 PolarHBondContact O-OG1 3.19Å; A604-T606 PolarHBondContact O-N 3.08Å; A604-T606 VanDerWaalsContact O-N 3.15Å
607H95.3Very high96.1Very high29 Ų2963.3 Ų63.313%0.13434%0.338CS..G310 helixtrans-118.434.8178-52.4-65.5000112.6A604 Q605 E609 L610 M611 E705 W714A604-H607 PolarHBondContact O-N 2.64Å; Q605-H607 PolarHBondContact O-N 3.4Å; Q605-H607 VanDerWaalsContact O-N 3.13Å; H607-E609 VanDerWaalsContact C-N 3.32Å; H607-E609 PolarHBondContact O-N 2.95Å; H607-L610 HydrophobicContact CB-CB 4.41Å; H607-L610 HydrophobicContact CB-CD1 4.35Å; H607-L610 PolarHBondContact O-N 2.98Å; H607-L610 VanDerWaalsContact O-N 3.08Å; H607-M611 PolarHBondContact O-N 3.01Å; H607-E705 IonicContact CE1-OE1 2.96Å; H607-E705 PolarHBondContact CE1-OE1 3.21Å; H607-E705 IonicContact ND1-OE1 3.87Å; H607-E705 PolarHBondContact ND1-OE1 3.45Å; H607-W714 HydrophobicContact CB-CH2 3.72Å; H607-W714 HydrophobicContact CB-CZ2 3.98Å
608A94.8Very high96.1Very high29 Ų2964 Ų6424%0.2434%0.34CS..Hα-helixtrans-52.6-41-171.500000114.9Q605 M611 K612Q605-A608 WeakPolarHBondContact O-CB 3.24Å; Q605-A608 PolarHBondContact O-N 3.47Å; A608-M611 PolarHBondContact O-N 3.05Å; A608-K612 WeakPolarHBondContact O-CG 3.48Å; A608-K612 PolarHBondContact O-N 3.4Å
609E96.1Very high96.2Very high121 Ų12167.4 Ų67.457%0.56535%0.354SS*.Hα-helixtrans-68.8-41.3179.2-65.7-52.6126.500111.9H607 M611 K612 T613H607-E609 VanDerWaalsContact C-N 3.32Å; H607-E609 PolarHBondContact O-N 2.95Å; E609-M611 VanDerWaalsContact C-N 3.33Å; E609-M611 PolarHBondContact O-N 3.07Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 3.01Å; E609-K612 IonicContact OE1-NZ 3.84Å; E609-K612 PolarHBondContact OE1-NZ 2.9Å; E609-K612 IonicContact OE2-NZ 3.16Å; E609-T613 PolarHBondContact O-N 3.38Å; E609-T613 PolarHBondContact O-OG1 3.17Å; E609-T613 VanDerWaalsContact O-OG1 3.07Å
610L95.7Very high96.4Very high57 Ų5766.7 Ų66.730%0.29835%0.349SS..Hα-helixtrans-64.2-39.8175.4-62.8174.3000111H607 K612 T613 Y614 W714H607-L610 HydrophobicContact CB-CB 4.41Å; H607-L610 HydrophobicContact CB-CD1 4.35Å; H607-L610 PolarHBondContact O-N 2.98Å; H607-L610 VanDerWaalsContact O-N 3.08Å; L610-K612 VanDerWaalsContact C-N 3.27Å; L610-K612 PolarHBondContact O-N 2.85Å; L610-T613 WeakPolarHBondContact O-CB 3.46Å; L610-T613 PolarHBondContact O-N 3.09Å; L610-T613 VanDerWaalsContact O-N 3.13Å; L610-Y614 HydrophobicContact CB-CD2 4.39Å; L610-Y614 HydrophobicContact CD2-CE2 4.19Å; L610-Y614 WeakPolarHBondContact O-CD2 3.32Å; L610-Y614 PolarHBondContact O-N 3.01Å; L610-W714 HydrophobicContact CB-CH2 4.09Å; L610-W714 HydrophobicContact CB-CZ2 3.35Å; L610-W714 HydrophobicContact CD1-CZ2 3.8Å; L610-W714 HydrophobicContact CG-CZ2 4.21Å
611M96.8Very high96.5Very high15 Ų1566.4 Ų66.47%0.07435%0.348CS..Hα-helixtrans-58.1-39.1174.6-73.1-177.259.600112.6A604 H607 A608 E609 N615 V616 F618 W714A604-M611 HydrophobicContact CB-CE 4.5Å; A604-M611 HydrophobicContact CB-SD 3.73Å; A604-M611 VanDerWaalsContact O-SD 3.35Å; H607-M611 PolarHBondContact O-N 3.01Å; A608-M611 PolarHBondContact O-N 3.05Å; E609-M611 VanDerWaalsContact C-N 3.33Å; E609-M611 PolarHBondContact O-N 3.07Å; M611-N615 WeakPolarHBondContact O-CA 3.34Å; M611-N615 PolarHBondContact O-N 2.69Å; M611-V616 HydrophobicContact CB-CB 4.23Å; M611-V616 HydrophobicContact CE-CB 4.38Å; M611-V616 HydrophobicContact CE-CG1 4.14Å; M611-V616 HydrophobicContact CG-CB 4.26Å; M611-V616 PolarHBondContact O-N 3.39Å; M611-F618 HydrophobicContact CE-CD2 3.8Å; M611-F618 HydrophobicContact CE-CE2 3.74Å; M611-W714 HydrophobicContact CG-CH2 3.94Å; M611-W714 HydrophobicContact CG-CZ3 3.79Å
612K96.4Very high96.6Very high141 Ų14169.4 Ų69.461%0.61336%0.358SS*.Hα-helixtrans-66-46.8173.7-66.9171.1-171.3164.10111A608 E609 L610 Y614 N615A608-K612 WeakPolarHBondContact O-CG 3.48Å; A608-K612 PolarHBondContact O-N 3.4Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 3.01Å; E609-K612 IonicContact OE1-NZ 3.84Å; E609-K612 PolarHBondContact OE1-NZ 2.9Å; E609-K612 IonicContact OE2-NZ 3.16Å; L610-K612 VanDerWaalsContact C-N 3.27Å; L610-K612 PolarHBondContact O-N 2.85Å; K612-Y614 VanDerWaalsContact C-N 3.35Å; K612-Y614 PolarHBondContact O-N 2.9Å; K612-N615 PolarHBondContact O-N 3.2Å
613T97.1Very high96.7Very high103 Ų10365.7 Ų65.763%0.63235%0.348SS*.Hα-helixtrans-56.3-46.4179-56.90000112.3E609 L610E609-T613 PolarHBondContact O-N 3.38Å; E609-T613 PolarHBondContact O-OG1 3.17Å; E609-T613 VanDerWaalsContact O-OG1 3.07Å; L610-T613 WeakPolarHBondContact O-CB 3.46Å; L610-T613 PolarHBondContact O-N 3.09Å; L610-T613 VanDerWaalsContact O-N 3.13Å
614Y97.3Very high96.9Very high56 Ų5662.7 Ų62.722%0.2233%0.333CS..THydrogen-bonded Turntrans-93.36.9-177.1-63.1-78.6000113.9L610 K612 P710 D711 W714 K718L610-Y614 HydrophobicContact CB-CD2 4.39Å; L610-Y614 HydrophobicContact CD2-CE2 4.19Å; L610-Y614 WeakPolarHBondContact O-CD2 3.32Å; L610-Y614 PolarHBondContact O-N 3.01Å; K612-Y614 VanDerWaalsContact C-N 3.35Å; K612-Y614 PolarHBondContact O-N 2.9Å; Y614-P710 VanDerWaalsContact OH-CB 3.3Å; Y614-P710 WeakPolarHBondContact OH-CB 3.44Å; Y614-D711 WeakPolarHBondContact CE1-OD1 3.41Å; Y614-W714 HydrophobicContact CD1-CB 3.94Å; Y614-W714 HydrophobicContact CD1-CG 4.2Å; Y614-W714 HydrophobicContact CD2-CB 4Å; Y614-W714 AromaticContact CD2-CD1 3.17Å; Y614-W714 AromaticContact CD2-CD2 3.91Å; Y614-W714 HydrophobicContact CD2-CD2 3.91Å; Y614-W714 AromaticContact CD2-CE2 3.98Å; Y614-W714 AromaticContact CD2-CG 3.42Å; Y614-W714 HydrophobicContact CD2-CG 3.42Å; Y614-W714 VanDerWaalsContact CD2-CG 3.42Å; Y614-W714 AromaticContact CD2-NE1 3.53Å; Y614-W714 AromaticContact CE2-CD1 3.25Å; Y614-W714 AromaticContact CE2-CG 3.98Å; Y614-W714 HydrophobicContact CE2-CG 3.98Å; Y614-W714 AromaticContact CE2-NE1 3.51Å; Y614-W714 HydrophobicContact CG-CB 3.6Å; Y614-W714 AromaticContact CG-CD1 3.68Å; Y614-W714 HydrophobicContact CG-CD2 4.31Å; Y614-W714 AromaticContact CG-CG 3.57Å; Y614-W714 HydrophobicContact CG-CG 3.57Å; Y614-W714 AromaticContact CZ-CD1 3.77Å; Y614-K718 PolarHBondContact O-NZ 3.49Å
615N97.3Very high97.1Very high124 Ų12463 Ų6366%0.66334%0.335SS*.THydrogen-bonded Turntrans50.959.4179.5-169.524.1000112.4M611 K612 K718M611-N615 WeakPolarHBondContact O-CA 3.34Å; M611-N615 PolarHBondContact O-N 2.69Å; K612-N615 PolarHBondContact O-N 3.2Å; N615-K718 WeakPolarHBondContact O-CE 3.33Å; N615-K718 PolarHBondContact O-NZ 2.9Å
616V97.9Very high97.3Very high13 Ų1364.3 Ų64.38%0.07934%0.339CS..  trans-101.2125.1179.8-179.10000108.6M611 W714 V717 K718 I721M611-V616 HydrophobicContact CB-CB 4.23Å; M611-V616 HydrophobicContact CE-CB 4.38Å; M611-V616 HydrophobicContact CE-CG1 4.14Å; M611-V616 HydrophobicContact CG-CB 4.26Å; M611-V616 PolarHBondContact O-N 3.39Å; V616-W714 HydrophobicContact CG2-CD2 4.49Å; V616-W714 HydrophobicContact CG2-CE3 3.6Å; V616-W714 HydrophobicContact CG2-CZ3 4.12Å; V616-V717 HydrophobicContact CG1-CG1 3.99Å; V616-K718 HydrophobicContact CB-CG 4.32Å; V616-K718 HydrophobicContact CG1-CG 4.3Å; V616-K718 HydrophobicContact CG2-CD 4.03Å; V616-K718 HydrophobicContact CG2-CG 3.76Å; V616-I721 HydrophobicContact CG1-CD1 3.67Å
617S97.3Very high97.5Very high55 Ų5562.8 Ų62.839%0.38533%0.327SS..  trans-131.6144-179.7175.50000111.1E619S617-E619 WeakPolarHBondContact OG-CG 3.29Å; S617-E619 PolarHBondContact OG-N 3.31Å
618F98.3Very high97.7Very high13 Ų1361.4 Ų61.46%0.05732%0.321CS..  trans-99.41.7175.3-79.2-98.7000113.1I600 A601 A604 M611 S620 L621 F622 I697 I721I600-F618 HydrophobicContact CG2-CE1 4Å; A601-F618 HydrophobicContact CB-CD1 4.21Å; A601-F618 HydrophobicContact CB-CG 4.26Å; A604-F618 HydrophobicContact CB-CE2 3.6Å; A604-F618 HydrophobicContact CB-CZ 3.72Å; M611-F618 HydrophobicContact CE-CD2 3.8Å; M611-F618 HydrophobicContact CE-CE2 3.74Å; F618-S620 VanDerWaalsContact C-N 3.26Å; F618-S620 PolarHBondContact O-N 3.31Å; F618-L621 HydrophobicContact CD1-CD2 4.08Å; F618-L621 PolarHBondContact O-N 3.24Å; F618-F622 HydrophobicContact CB-CD2 3.92Å; F618-F622 HydrophobicContact CB-CE2 3.78Å; F618-F622 VanDerWaalsContact O-CD2 3.3Å; F618-F622 WeakPolarHBondContact O-CD2 3.3Å; F618-F622 PolarHBondContact O-N 3.48Å; F618-I697 HydrophobicContact CE1-CD1 4.36Å; F618-I697 HydrophobicContact CE1-CG2 4.21Å; F618-I697 HydrophobicContact CZ-CG2 4.14Å; F618-I721 HydrophobicContact CD1-CD1 4.28Å; F618-I721 HydrophobicContact CD1-CG1 4.3Å; F618-I721 HydrophobicContact CD2-CD1 4.05Å; F618-I721 HydrophobicContact CE1-CD1 3.93Å; F618-I721 HydrophobicContact CE1-CG1 3.9Å; F618-I721 HydrophobicContact CE2-CD1 3.68Å; F618-I721 HydrophobicContact CG-CD1 4.34Å; F618-I721 HydrophobicContact CZ-CD1 3.62Å; F618-I721 HydrophobicContact CZ-CG1 4.03Å
619E98.2Very high97.9Very high153 Ų15362 Ų6272%0.71532%0.322SS*.Hα-helixtrans-55.9-38.4-176-73.6177.2168.400113.1S617 F622 S623S617-E619 WeakPolarHBondContact OG-CG 3.29Å; S617-E619 PolarHBondContact OG-N 3.31Å; E619-F622 PolarHBondContact O-N 2.6Å; E619-S623 VanDerWaalsContact O-CB 3.29Å; E619-S623 WeakPolarHBondContact O-CB 3.49Å; E619-S623 PolarHBondContact O-N 2.87Å
620S98.5Very high98Very high58 Ų5860 Ų6041%0.40632%0.315SS..Hα-helixtrans-63.6-41177.456.50000112.2F618 S623 A624F618-S620 VanDerWaalsContact C-N 3.26Å; F618-S620 PolarHBondContact O-N 3.31Å; S620-S623 PolarHBondContact O-N 2.88Å; S620-A624 WeakPolarHBondContact O-CB 3.25Å; S620-A624 PolarHBondContact O-N 3.27Å
621L98.7Very high98.1Very high0 Ų057.7 Ų57.70%030%0.304CS..Hα-helixtrans-66-47.2176.6-179.560.9000110.7A597 I600 F618 S623 A624 V625 F694 I697 I721 A724 A725 V728A597-L621 HydrophobicContact CB-CD2 4.18Å; A597-L621 HydrophobicContact CB-CG 4.32Å; I600-L621 HydrophobicContact CG2-CD2 4.34Å; F618-L621 HydrophobicContact CD1-CD2 4.08Å; F618-L621 PolarHBondContact O-N 3.24Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.86Å; L621-A624 PolarHBondContact O-N 3.27Å; L621-V625 HydrophobicContact CD1-CG2 4.39Å; L621-V625 WeakPolarHBondContact O-CG2 3.26Å; L621-V625 PolarHBondContact O-N 2.82Å; L621-F694 HydrophobicContact CD1-CE1 3.99Å; L621-F694 HydrophobicContact CD1-CZ 3.97Å; L621-F694 HydrophobicContact CD2-CE2 4.37Å; L621-F694 HydrophobicContact CD2-CZ 4.34Å; L621-I697 HydrophobicContact CD2-CD1 4.2Å; L621-I721 HydrophobicContact CB-CG2 4.42Å; L621-A724 HydrophobicContact CD1-CB 3.95Å; L621-A725 HydrophobicContact CB-CB 4.39Å; L621-V728 HydrophobicContact CD1-CG2 4.42Å
622F98.8Very high98.2Very high76 Ų7657 Ų5733%0.33330%0.3SS..Hα-helixtrans-62.7-38.1177.4-76.3-66000112.7A597 D598 A601 F618 E619 V625 K626A597-F622 HydrophobicContact CB-CD1 4.25Å; A597-F622 HydrophobicContact CB-CE1 3.88Å; A597-F622 HydrophobicContact CB-CZ 4.45Å; D598-F622 WeakPolarHBondContact OD1-CE1 3.39Å; A601-F622 HydrophobicContact CB-CE2 3.97Å; A601-F622 HydrophobicContact CB-CZ 3.82Å; F618-F622 HydrophobicContact CB-CD2 3.92Å; F618-F622 HydrophobicContact CB-CE2 3.78Å; F618-F622 VanDerWaalsContact O-CD2 3.3Å; F618-F622 WeakPolarHBondContact O-CD2 3.3Å; F618-F622 PolarHBondContact O-N 3.48Å; E619-F622 PolarHBondContact O-N 2.6Å; F622-V625 PolarHBondContact O-N 2.88Å; F622-K626 WeakPolarHBondContact O-CB 3.3Å; F622-K626 PolarHBondContact O-N 2.97Å
623S98.7Very high98.3Very high65 Ų6555.8 Ų55.846%0.45530%0.295SS..Hα-helixtrans-61.8-46.6173.6-175.30000111.6E619 S620 L621 V625 K626 N627E619-S623 VanDerWaalsContact O-CB 3.29Å; E619-S623 WeakPolarHBondContact O-CB 3.49Å; E619-S623 PolarHBondContact O-N 2.87Å; S620-S623 PolarHBondContact O-N 2.88Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.86Å; S623-V625 PolarHBondContact O-N 2.99Å; S623-K626 PolarHBondContact O-N 2.81Å; S623-N627 PolarHBondContact O-N 2.94Å
624A98.8Very high98.3Very high5 Ų554.5 Ų54.54%0.04129%0.285CS..Hα-helixtrans-61.2-44.8176.700000112.1S620 L621 K626 N627 F628 A725 V728 H729S620-A624 WeakPolarHBondContact O-CB 3.25Å; S620-A624 PolarHBondContact O-N 3.27Å; L621-A624 PolarHBondContact O-N 3.27Å; A624-K626 PolarHBondContact O-N 3.47Å; A624-N627 PolarHBondContact O-N 3.11Å; A624-F628 PolarHBondContact O-N 2.74Å; A624-A725 HydrophobicContact CB-CB 4.39Å; A624-A725 WeakPolarHBondContact CB-O 3.2Å; A624-V728 HydrophobicContact CB-CB 4.01Å; A624-V728 HydrophobicContact CB-CG1 3.97Å; A624-H729 HydrophobicContact CB-CB 4.04Å
625V98.8Very high98.4Very high7 Ų751.8 Ų51.84%0.04227%0.274CS..Hα-helixtrans-61-43.9176.3170.90000111.2L593 R594 A597 L621 F622 S623 N627 F628 T629 V728L593-V625 HydrophobicContact CB-CG1 4.26Å; L593-V625 HydrophobicContact CB-CG2 4.29Å; R594-V625 HydrophobicContact CB-CG1 4.22Å; A597-V625 HydrophobicContact CB-CG2 4.14Å; L621-V625 HydrophobicContact CD1-CG2 4.39Å; L621-V625 WeakPolarHBondContact O-CG2 3.26Å; L621-V625 PolarHBondContact O-N 2.82Å; F622-V625 PolarHBondContact O-N 2.88Å; S623-V625 PolarHBondContact O-N 2.99Å; V625-N627 VanDerWaalsContact C-N 3.34Å; V625-N627 PolarHBondContact O-N 3.35Å; V625-F628 WeakPolarHBondContact O-CB 3.48Å; V625-F628 PolarHBondContact O-N 2.68Å; V625-T629 PolarHBondContact O-N 3.36Å; V625-T629 PolarHBondContact O-OG1 3.32Å; V625-V728 HydrophobicContact CG2-CG1 4.12Å
626K98.7Very high98.4Very high136 Ų13647.3 Ų47.359%0.59125%0.249SC*.Hα-helixtrans-60.1-44.1175.9-179178.5177.3-178.50111.9F622 S623 A624 F628 T629 N630F622-K626 WeakPolarHBondContact O-CB 3.3Å; F622-K626 PolarHBondContact O-N 2.97Å; S623-K626 PolarHBondContact O-N 2.81Å; A624-K626 PolarHBondContact O-N 3.47Å; K626-F628 VanDerWaalsContact C-N 3.34Å; K626-T629 PolarHBondContact O-N 2.82Å; K626-N630 PolarHBondContact O-N 3.22Å; K626-N630 VanDerWaalsContact O-N 3.1Å
627N98.5Very high98.4Very high62 Ų6251 Ų5133%0.33227%0.266SS..Hα-helixtrans-64.9-39.7177.9-69.6-12.6000111.7S623 A624 V625 N630 A631S623-N627 PolarHBondContact O-N 2.94Å; A624-N627 PolarHBondContact O-N 3.11Å; V625-N627 VanDerWaalsContact C-N 3.34Å; V625-N627 PolarHBondContact O-N 3.35Å; N627-N630 PolarHBondContact O-N 2.98Å; N627-A631 WeakPolarHBondContact O-CB 3.44Å; N627-A631 PolarHBondContact O-N 2.88Å
628F98.8Very high98.3Very high0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-59.9-46.7173-174-81.6000111.9Y589 A590 L593 A624 V625 K626 N630 A631 A632 L660 F664 V728 A731 A732 L735Y589-F628 HydrophobicContact CD1-CE1 4.44Å; Y589-F628 HydrophobicContact CD1-CZ 4.27Å; Y589-F628 HydrophobicContact CG-CZ 4.39Å; A590-F628 HydrophobicContact CB-CD1 3.82Å; A590-F628 HydrophobicContact CB-CE1 3.94Å; L593-F628 HydrophobicContact CD1-CD1 3.7Å; L593-F628 HydrophobicContact CD1-CD2 4.17Å; L593-F628 HydrophobicContact CD1-CE1 3.87Å; L593-F628 HydrophobicContact CD1-CE2 4.31Å; L593-F628 HydrophobicContact CD1-CG 3.87Å; L593-F628 HydrophobicContact CD1-CZ 4.17Å; A624-F628 PolarHBondContact O-N 2.74Å; V625-F628 WeakPolarHBondContact O-CB 3.48Å; V625-F628 PolarHBondContact O-N 2.68Å; K626-F628 VanDerWaalsContact C-N 3.34Å; F628-N630 VanDerWaalsContact C-N 3.32Å; F628-N630 PolarHBondContact O-N 2.86Å; F628-A631 PolarHBondContact O-N 3.18Å; F628-A632 HydrophobicContact CE1-CB 4.25Å; F628-A632 WeakPolarHBondContact O-CB 3.17Å; F628-A632 PolarHBondContact O-N 2.78Å; F628-L660 HydrophobicContact CE2-CD1 3.83Å; F628-L660 HydrophobicContact CZ-CD1 3.99Å; F628-L660 HydrophobicContact CZ-CD2 4.41Å; F628-F664 HydrophobicContact CD2-CZ 4.49Å; F628-F664 HydrophobicContact CE2-CE1 4.36Å; F628-F664 AromaticContact CE2-CZ 3.68Å; F628-F664 HydrophobicContact CE2-CZ 3.68Å; F628-F664 HydrophobicContact CZ-CZ 4.02Å; F628-V728 HydrophobicContact CB-CG1 3.94Å; F628-V728 HydrophobicContact CD2-CG1 4.5Å; F628-V728 HydrophobicContact CG-CG1 4.42Å; F628-A731 HydrophobicContact CD2-CB 4.16Å; F628-A731 HydrophobicContact CE2-CB 3.93Å; F628-A732 HydrophobicContact CB-CB 3.98Å; F628-A732 HydrophobicContact CD2-CB 4.02Å; F628-A732 HydrophobicContact CG-CB 4.41Å; F628-L735 HydrophobicContact CE2-CD1 4.24Å; F628-L735 HydrophobicContact CZ-CD1 4.16Å
629T98.8Very high98.2Very high43 Ų4352.3 Ų52.326%0.26426%0.263SS..Hα-helixtrans-57.9-44.4177.8-57.90000112A590 V625 K626 K633A590-T629 HydrophobicContact CB-CG2 4.26Å; V625-T629 PolarHBondContact O-N 3.36Å; V625-T629 PolarHBondContact O-OG1 3.32Å; K626-T629 PolarHBondContact O-N 2.82Å; T629-K633 WeakPolarHBondContact O-CB 3.38Å; T629-K633 PolarHBondContact O-N 2.85Å; T629-K633 VanDerWaalsContact O-N 3.08Å
630N98.6Very high98Very high78 Ų7852.9 Ų52.942%0.41727%0.266SS..Hα-helixtrans-64.5-46.8176.5-66.7-16.8000111.4K626 N627 F628 A632 K633 D634K626-N630 PolarHBondContact O-N 3.22Å; K626-N630 VanDerWaalsContact O-N 3.1Å; N627-N630 PolarHBondContact O-N 2.98Å; F628-N630 VanDerWaalsContact C-N 3.32Å; F628-N630 PolarHBondContact O-N 2.86Å; N630-A632 VanDerWaalsContact C-N 3.35Å; N630-A632 PolarHBondContact O-N 2.8Å; N630-K633 PolarHBondContact O-N 2.71Å; N630-D634 WeakPolarHBondContact O-CB 3.39Å; N630-D634 VanDerWaalsContact O-CG 3.23Å; N630-D634 PolarHBondContact O-N 3.41Å
631A98.6Very high97.8Very high8 Ų855.8 Ų55.87%0.06628%0.282CS..Hα-helixtrans-62.4-39.7179.800000112.8N627 F628 F635 A732 L735N627-A631 WeakPolarHBondContact O-CB 3.44Å; N627-A631 PolarHBondContact O-N 2.88Å; F628-A631 PolarHBondContact O-N 3.18Å; A631-F635 VanDerWaalsContact O-CB 3.22Å; A631-F635 WeakPolarHBondContact O-CB 3.47Å; A631-F635 PolarHBondContact O-N 2.82Å; A631-A732 HydrophobicContact CB-CB 4.1Å; A631-A732 WeakPolarHBondContact CB-O 3.39Å; A631-L735 HydrophobicContact CB-CB 4.26Å
632A98.6Very high97.6Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-64.6-43.6175.800000112A586 A590 F628 N630 F635 H636 L735A586-A632 HydrophobicContact CB-CB 3.87Å; A590-A632 HydrophobicContact CB-CB 4.3Å; F628-A632 HydrophobicContact CE1-CB 4.25Å; F628-A632 WeakPolarHBondContact O-CB 3.17Å; F628-A632 PolarHBondContact O-N 2.78Å; N630-A632 VanDerWaalsContact C-N 3.35Å; N630-A632 PolarHBondContact O-N 2.8Å; A632-F635 PolarHBondContact O-N 2.64Å; A632-H636 PolarHBondContact O-CD2 3.22Å; A632-H636 PolarHBondContact O-N 3.16Å; A632-L735 HydrophobicContact CB-CD1 4.11Å
633K98.4Very high97.4Very high116 Ų11657 Ų5750%0.50429%0.291SS..Hα-helixtrans-61.1-52.5175.4-174.3-172.7176-156.70111.1N587 T629 N630 F635 H636 E637N587-K633 PolarHBondContact OD1-N 3.11Å; T629-K633 WeakPolarHBondContact O-CB 3.38Å; T629-K633 PolarHBondContact O-N 2.85Å; T629-K633 VanDerWaalsContact O-N 3.08Å; N630-K633 PolarHBondContact O-N 2.71Å; K633-F635 VanDerWaalsContact C-N 3.27Å; K633-F635 PolarHBondContact O-N 3.05Å; K633-H636 PolarHBondContact O-N 2.94Å; K633-H636 VanDerWaalsContact O-N 3.14Å; K633-E637 WeakPolarHBondContact CE-OE1 3.35Å; K633-E637 IonicContact NZ-OE1 2.7Å; K633-E637 WeakPolarHBondContact O-CG 3.33Å; K633-E637 PolarHBondContact O-N 3Å
634D97.9Very high97.1Very high76 Ų7658.4 Ų58.441%0.40629%0.29SS..Hα-helixtrans-60.9-37.6179.9-66.2-5.4000111.5N630 E637 R638N630-D634 WeakPolarHBondContact O-CB 3.39Å; N630-D634 VanDerWaalsContact O-CG 3.23Å; N630-D634 PolarHBondContact O-N 3.41Å; D634-E637 PolarHBondContact O-N 3.32Å; D634-R638 VanDerWaalsContact C-NH1 3.29Å; D634-R638 WeakPolarHBondContact O-CG 3.14Å; D634-R638 PolarHBondContact O-N 2.81Å; D634-R638 VanDerWaalsContact O-N 3.11Å; D634-R638 PolarHBondContact O-NH1 3.44Å; D634-R638 VanDerWaalsContact O-NH1 3.13Å
635F98.3Very high96.9Very high0 Ų063.6 Ų63.60%031%0.313CS..Hα-helixtrans-60.3-46.9174.7175.4-90.6000111.8A631 A632 K633 R638 L639 M653 Q656 L657 L735A631-F635 VanDerWaalsContact O-CB 3.22Å; A631-F635 WeakPolarHBondContact O-CB 3.47Å; A631-F635 PolarHBondContact O-N 2.82Å; A632-F635 PolarHBondContact O-N 2.64Å; K633-F635 VanDerWaalsContact C-N 3.27Å; K633-F635 PolarHBondContact O-N 3.05Å; F635-R638 PolarHBondContact O-N 3.3Å; F635-L639 HydrophobicContact CE1-CD2 4.33Å; F635-L639 HydrophobicContact CZ-CD1 4.48Å; F635-L639 PolarHBondContact O-N 3.09Å; F635-M653 HydrophobicContact CE2-SD 3.95Å; F635-M653 HydrophobicContact CZ-SD 4.4Å; F635-Q656 HydrophobicContact CD2-CB 4.49Å; F635-Q656 HydrophobicContact CE2-CB 3.65Å; F635-Q656 HydrophobicContact CE2-CG 4.32Å; F635-Q656 HydrophobicContact CZ-CB 4.18Å; F635-L657 HydrophobicContact CD1-CD2 4.49Å; F635-L657 HydrophobicContact CE1-CD1 4.47Å; F635-L657 HydrophobicContact CE1-CD2 3.51Å; F635-L657 HydrophobicContact CE1-CG 3.82Å; F635-L657 HydrophobicContact CZ-CD1 4.46Å; F635-L657 HydrophobicContact CZ-CD2 3.98Å; F635-L657 HydrophobicContact CZ-CG 3.77Å; F635-L735 HydrophobicContact CB-CB 4.2Å; F635-L735 HydrophobicContact CD2-CD2 4.19Å; F635-L735 HydrophobicContact CG-CB 4.5Å; F635-L735 HydrophobicContact CG-CD2 4.16Å
636H97.7Very high96.8Very high29 Ų2965.7 Ų65.713%0.13432%0.324CS..Hα-helixtrans-69.2-32.1178.9-85.7-72.5000113.4D585 A586 N587 A632 K633 L639 Q640D585-H636 IonicContact OD1-CD2 3.46Å; D585-H636 IonicContact OD1-CE1 3.37Å; D585-H636 PolarHBondContact OD1-CE1 2.94Å; D585-H636 IonicContact OD1-NE2 2.67Å; D585-H636 PolarHBondContact OD1-NE2 3.24Å; A586-H636 PolarHBondContact N-NE2 3.05Å; N587-H636 VanDerWaalsContact CG-CD2 3.46Å; N587-H636 PolarHBondContact ND2-CD2 3.22Å; A632-H636 PolarHBondContact O-CD2 3.22Å; A632-H636 PolarHBondContact O-N 3.16Å; K633-H636 PolarHBondContact O-N 2.94Å; K633-H636 VanDerWaalsContact O-N 3.14Å; H636-L639 WeakPolarHBondContact O-CB 3.16Å; H636-L639 PolarHBondContact O-N 3.07Å; H636-Q640 WeakPolarHBondContact O-CG 3.06Å; H636-Q640 PolarHBondContact O-N 3.43Å
637E97.1Very high96.6Very high92 Ų9262.4 Ų62.443%0.4332%0.317SS..Hα-helixtrans-61.5-43.6170.2-71.4177.8-176.900111.1K633 D634 L639 Q640K633-E637 WeakPolarHBondContact CE-OE1 3.35Å; K633-E637 IonicContact NZ-OE1 2.7Å; K633-E637 WeakPolarHBondContact O-CG 3.33Å; K633-E637 PolarHBondContact O-N 3Å; D634-E637 PolarHBondContact O-N 3.32Å; E637-L639 VanDerWaalsContact C-N 3.32Å; E637-L639 PolarHBondContact O-N 3.45Å; E637-Q640 WeakPolarHBondContact O-CB 3.32Å; E637-Q640 PolarHBondContact O-N 3.38Å
638R96.1Very high96.5Very high67 Ų6765 Ų6525%0.25333%0.33SS..Hα-helixtrans-65.5-34.8174.4-66.8-170.3-51.4-83.84.1112.8D634 F635 Q640 T641 L642 L735D634-R638 VanDerWaalsContact C-NH1 3.29Å; D634-R638 WeakPolarHBondContact O-CG 3.14Å; D634-R638 PolarHBondContact O-N 2.81Å; D634-R638 VanDerWaalsContact O-N 3.11Å; D634-R638 PolarHBondContact O-NH1 3.44Å; D634-R638 VanDerWaalsContact O-NH1 3.13Å; F635-R638 PolarHBondContact O-N 3.3Å; R638-Q640 PolarHBondContact O-N 3.44Å; R638-T641 PolarHBondContact O-N 3.31Å; R638-T641 PolarHBondContact O-OG1 2.96Å; R638-T641 VanDerWaalsContact O-OG1 3.08Å; R638-L642 PolarHBondContact O-N 3.49Å; R638-L735 PolarHBondContact NH2-O 2.79Å
639L95.3Very high96.3Very high27 Ų2768.8 Ų68.814%0.14135%0.347CS..Hα-helixtrans-63.6-30.9177.4-162.467.7000112.2V581 F635 H636 E637 L642 M653V581-L639 HydrophobicContact CG1-CD1 3.89Å; V581-L639 HydrophobicContact CG1-CD2 4.15Å; V581-L639 HydrophobicContact CG1-CG 4.35Å; F635-L639 HydrophobicContact CE1-CD2 4.33Å; F635-L639 HydrophobicContact CZ-CD1 4.48Å; F635-L639 PolarHBondContact O-N 3.09Å; H636-L639 WeakPolarHBondContact O-CB 3.16Å; H636-L639 PolarHBondContact O-N 3.07Å; E637-L639 VanDerWaalsContact C-N 3.32Å; E637-L639 PolarHBondContact O-N 3.45Å; L639-L642 HydrophobicContact CD1-CD2 4.05Å; L639-L642 VanDerWaalsContact O-CB 3.3Å; L639-L642 WeakPolarHBondContact O-CB 3.29Å; L639-L642 PolarHBondContact O-N 3.21Å; L639-M653 HydrophobicContact CD1-CB 3.97Å; L639-M653 HydrophobicContact CD1-CG 4.23Å
640Q94.3Very high96.3Very high165 Ų16566.7 Ų66.777%0.77134%0.335SS*.Hα-helixtrans-68.8-34.3175.8-68.8173.815.100112.7H636 E637 R638H636-Q640 WeakPolarHBondContact O-CG 3.06Å; H636-Q640 PolarHBondContact O-N 3.43Å; E637-Q640 WeakPolarHBondContact O-CB 3.32Å; E637-Q640 PolarHBondContact O-N 3.38Å; R638-Q640 PolarHBondContact O-N 3.44Å
641T94.1Very high96.2Very high119 Ų11965.4 Ų65.473%0.7332%0.324SS*.THydrogen-bonded Turntrans-92.65179.658.30000113.7R638 D643R638-T641 PolarHBondContact O-N 3.31Å; R638-T641 PolarHBondContact O-OG1 2.96Å; R638-T641 VanDerWaalsContact O-OG1 3.08Å; T641-D643 PolarHBondContact O-N 3.4Å
642L94.6Very high96.2Very high22 Ų2268.2 Ų68.212%0.11534%0.337CS..  trans-60.9129.5-178.2177.165.4000111.7V581 R638 L639 K644 Q649 V650 M653V581-L642 HydrophobicContact CG2-CD2 3.98Å; R638-L642 PolarHBondContact O-N 3.49Å; L639-L642 HydrophobicContact CD1-CD2 4.05Å; L639-L642 VanDerWaalsContact O-CB 3.3Å; L639-L642 WeakPolarHBondContact O-CB 3.29Å; L639-L642 PolarHBondContact O-N 3.21Å; L642-K644 PolarHBondContact O-N 3.03Å; L642-K644 VanDerWaalsContact O-N 3.08Å; L642-Q649 HydrophobicContact CD1-CB 3.71Å; L642-V650 HydrophobicContact CD2-CG2 4.1Å; L642-M653 HydrophobicContact CD1-CG 3.75Å; L642-M653 HydrophobicContact CD2-CB 4.33Å; L642-M653 HydrophobicContact CD2-CG 4.07Å; L642-M653 HydrophobicContact CG-CG 4.49Å
643D94.1Very high96.1Very high80 Ų8069.2 Ų69.243%0.42834%0.342SS..  trans-71.8102.1166.6-175.92.5000109.9T641 E645 D646T641-D643 PolarHBondContact O-N 3.4Å; D643-E645 PolarHBondContact O-N 3.43Å; D643-E645 WeakPolarHBondContact OD1-CB 3.48Å; D643-E645 PolarHBondContact OD1-N 2.93Å; D643-D646 HydrophobicContact CB-CB 4.42Å; D643-D646 PolarHBondContact O-N 2.97Å
644K94.1Very high96.2Very high95 Ų9563.8 Ų63.841%0.41332%0.319SS..THydrogen-bonded Turntrans-73.7-13.4-179.9-64.8-179.9-176.1175.70112.9Q580 L642Q580-K644 PolarHBondContact NE2-O 3.37Å; L642-K644 PolarHBondContact O-N 3.03Å; L642-K644 VanDerWaalsContact O-N 3.08Å
645E94.5Very high96.2Very high113 Ų11362 Ų6253%0.52831%0.309SS..THydrogen-bonded Turntrans-81.9-21.2176.5-61-62.4141.200111.7D643 P647D643-E645 PolarHBondContact O-N 3.43Å; D643-E645 WeakPolarHBondContact OD1-CB 3.48Å; D643-E645 PolarHBondContact OD1-N 2.93Å; E645-P647 WeakPolarHBondContact O-CD 3.4Å
646D95.9Very high96.2Very high51 Ų5162.9 Ų62.927%0.27331%0.313SS..  trans-82.9106.5172.3-173.9-17.4000111D643 L648 Q649 V650D643-D646 HydrophobicContact CB-CB 4.42Å; D643-D646 PolarHBondContact O-N 2.97Å; D646-L648 PolarHBondContact O-N 3.28Å; D646-L648 WeakPolarHBondContact OD1-CB 3.36Å; D646-L648 PolarHBondContact OD1-N 2.7Å; D646-Q649 HydrophobicContact CB-CB 4.09Å; D646-Q649 HydrophobicContact CB-CG 4.14Å; D646-Q649 PolarHBondContact O-N 2.69Å; D646-Q649 PolarHBondContact OD1-N 3.35Å; D646-Q649 WeakPolarHBondContact OD2-CG 3.47Å; D646-Q649 PolarHBondContact OD2-NE2 3.2Å; D646-V650 WeakPolarHBondContact O-CG2 3.48Å; D646-V650 PolarHBondContact O-N 3.24Å; D646-V650 VanDerWaalsContact O-N 3.16Å
647P93.9Very high96.2Very high68 Ų6861.8 Ų61.844%0.44231%0.308SS..Hα-helixtrans-66.3-26.1-176.7-18.634.1000113.1E645 R651E645-P647 WeakPolarHBondContact O-CD 3.4Å; P647-R651 VanDerWaalsContact O-CB 3.3Å; P647-R651 WeakPolarHBondContact O-CB 3.35Å; P647-R651 PolarHBondContact O-N 3.2Å
648L95.9Very high96.3Very high116 Ų11657.4 Ų57.461%0.60729%0.288SS*.Hα-helixtrans-75.8-43.1-179.1-176.961.5000110.4D646 R651 I652D646-L648 PolarHBondContact O-N 3.28Å; D646-L648 WeakPolarHBondContact OD1-CB 3.36Å; D646-L648 PolarHBondContact OD1-N 2.7Å; L648-R651 PolarHBondContact O-N 2.88Å; L648-I652 HydrophobicContact CD1-CD1 4.45Å; L648-I652 HydrophobicContact CG-CD1 4.09Å; L648-I652 VanDerWaalsContact O-CG1 3.3Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 3.47Å
649Q95.7Very high96.4Very high79 Ų7957.3 Ų57.337%0.36929%0.288SS..Hα-helixtrans-60.9-45.9174-73.9-177.852.200111.6L642 D646 R651 I652 M653L642-Q649 HydrophobicContact CD1-CB 3.71Å; D646-Q649 HydrophobicContact CB-CB 4.09Å; D646-Q649 HydrophobicContact CB-CG 4.14Å; D646-Q649 PolarHBondContact O-N 2.69Å; D646-Q649 PolarHBondContact OD1-N 3.35Å; D646-Q649 WeakPolarHBondContact OD2-CG 3.47Å; D646-Q649 PolarHBondContact OD2-NE2 3.2Å; Q649-R651 VanDerWaalsContact C-N 3.27Å; Q649-R651 PolarHBondContact O-N 3.15Å; Q649-I652 PolarHBondContact O-N 3.48Å; Q649-M653 WeakPolarHBondContact O-CG 3.05Å; Q649-M653 PolarHBondContact O-N 3.41Å
650V97.6Very high96.6Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-57.6-41.9174.4172.20000111.2Q580 V581 L642 D646 N654Q580-V650 HydrophobicContact CG-CG1 3.98Å; Q580-V650 WeakPolarHBondContact O-CG1 3.23Å; V581-V650 HydrophobicContact CG2-CG1 4.46Å; L642-V650 HydrophobicContact CD2-CG2 4.1Å; D646-V650 WeakPolarHBondContact O-CG2 3.48Å; D646-V650 PolarHBondContact O-N 3.24Å; D646-V650 VanDerWaalsContact O-N 3.16Å; V650-N654 WeakPolarHBondContact O-CB 3.48Å; V650-N654 VanDerWaalsContact O-CG 3.23Å; V650-N654 PolarHBondContact O-N 2.8Å; V650-N654 PolarHBondContact O-ND2 3.23Å
651R98Very high96.8Very high51 Ų5148.6 Ų48.619%0.19225%0.246CC..Hα-helixtrans-66.1-43.9179.1-17858.3175.9-114.4-23.7112.3E356 D358 R359 P647 L648 Q649 M653 N654 D655E356-R651 WeakPolarHBondContact OE2-CD 3.17Å; E356-R651 IonicContact OE2-CZ 3.66Å; E356-R651 IonicContact OE2-NE 3.54Å; E356-R651 IonicContact OE2-NH1 2.71Å; E356-R651 PolarHBondContact OE2-NH1 2.82Å; D358-R651 IonicContact OD1-CZ 3.98Å; D358-R651 IonicContact OD1-NH1 3.47Å; D358-R651 PolarHBondContact OD1-NH1 3.1Å; D358-R651 IonicContact OD1-NH2 3.19Å; D358-R651 IonicContact OD2-CZ 3.23Å; D358-R651 IonicContact OD2-NH1 3.56Å; D358-R651 IonicContact OD2-NH2 3.68Å; D358-R651 PolarHBondContact OD2-NH2 3.38Å; R359-R651 VanDerWaalsContact NH1-NH2 3.15Å; P647-R651 VanDerWaalsContact O-CB 3.3Å; P647-R651 WeakPolarHBondContact O-CB 3.35Å; P647-R651 PolarHBondContact O-N 3.2Å; L648-R651 PolarHBondContact O-N 2.88Å; Q649-R651 VanDerWaalsContact C-N 3.27Å; Q649-R651 PolarHBondContact O-N 3.15Å; R651-M653 VanDerWaalsContact C-N 3.34Å; R651-M653 PolarHBondContact O-N 3.4Å; R651-N654 PolarHBondContact O-N 3.34Å; R651-D655 IonicContact NE-OD1 3.78Å; R651-D655 PolarHBondContact NE-OD1 2.91Å; R651-D655 IonicContact NE-OD2 3.72Å; R651-D655 PolarHBondContact NE-OD2 2.73Å; R651-D655 WeakPolarHBondContact O-CB 3.36Å; R651-D655 VanDerWaalsContact O-CG 3.32Å; R651-D655 PolarHBondContact O-N 3.28Å
652I97.5Very high97Very high66 Ų6644.4 Ų44.434%0.33822%0.217SC..Hα-helixtrans-59.7-46.2177.4-67164.7000110.3L648 Q649 D655 Q656 P738L648-I652 HydrophobicContact CD1-CD1 4.45Å; L648-I652 HydrophobicContact CG-CD1 4.09Å; L648-I652 VanDerWaalsContact O-CG1 3.3Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 3.47Å; Q649-I652 PolarHBondContact O-N 3.48Å; I652-D655 PolarHBondContact O-N 3.43Å; I652-Q656 PolarHBondContact O-N 2.93Å; I652-Q656 VanDerWaalsContact O-N 3.11Å; I652-P738 HydrophobicContact CG2-CG 4.04Å
653M97.9Very high97.2Very high22 Ų2244.6 Ų44.611%0.10822%0.222CC..Hα-helixtrans-65.4-41177.3-64.5-62.999.300112.4F635 L639 L642 Q649 R651 D655 Q656 L657F635-M653 HydrophobicContact CE2-SD 3.95Å; F635-M653 HydrophobicContact CZ-SD 4.4Å; L639-M653 HydrophobicContact CD1-CB 3.97Å; L639-M653 HydrophobicContact CD1-CG 4.23Å; L642-M653 HydrophobicContact CD1-CG 3.75Å; L642-M653 HydrophobicContact CD2-CB 4.33Å; L642-M653 HydrophobicContact CD2-CG 4.07Å; L642-M653 HydrophobicContact CG-CG 4.49Å; Q649-M653 WeakPolarHBondContact O-CG 3.05Å; Q649-M653 PolarHBondContact O-N 3.41Å; R651-M653 VanDerWaalsContact C-N 3.34Å; R651-M653 PolarHBondContact O-N 3.4Å; M653-D655 VanDerWaalsContact C-N 3.29Å; M653-D655 PolarHBondContact O-N 3.49Å; M653-Q656 PolarHBondContact O-N 3.34Å; M653-L657 PolarHBondContact O-N 2.82Å
654N98.6Very high97.4Very high2 Ų240.8 Ų40.81%0.01120%0.202CC..Hα-helixtrans-62.4-37.3175.1-79.6-23.7000112.2R403 Q580 V581 L582 V650 R651 L657 M658R403-N654 PolarHBondContact NH2-ND2 3.34Å; Q580-N654 PolarHBondContact O-ND2 3.11Å; V581-N654 WeakPolarHBondContact CA-OD1 3.25Å; L582-N654 HydrophobicContact CD1-CB 4.18Å; L582-N654 WeakPolarHBondContact CD1-O 3.37Å; L582-N654 HydrophobicContact CG-CB 4.31Å; L582-N654 PolarHBondContact N-OD1 3.01Å; V650-N654 WeakPolarHBondContact O-CB 3.48Å; V650-N654 VanDerWaalsContact O-CG 3.23Å; V650-N654 PolarHBondContact O-N 2.8Å; V650-N654 PolarHBondContact O-ND2 3.23Å; R651-N654 PolarHBondContact O-N 3.34Å; N654-L657 PolarHBondContact O-N 3.4Å; N654-M658 VanDerWaalsContact O-CB 3.3Å; N654-M658 WeakPolarHBondContact O-CB 3.26Å; N654-M658 PolarHBondContact O-N 3.39Å
655D98.7Very high97.6Very high37 Ų3737.8 Ų37.820%0.19819%0.19CC..Hα-helixtrans-67.2-41.9177.6-73.6-11.9000110.2R359 R651 I652 M653 L657 M658 Y659R359-D655 IonicContact CZ-OD1 3.07Å; R359-D655 IonicContact NE-OD1 3.4Å; R359-D655 PolarHBondContact NE-OD1 3.39Å; R359-D655 VanDerWaalsContact NE-OD1 3.16Å; R359-D655 VanDerWaalsContact NH2-CG 3.29Å; R359-D655 IonicContact NH2-OD1 2.8Å; R359-D655 PolarHBondContact NH2-OD1 3.42Å; R359-D655 IonicContact NH2-OD2 3.65Å; R359-D655 PolarHBondContact NH2-OD2 3.12Å; R651-D655 IonicContact NE-OD1 3.78Å; R651-D655 PolarHBondContact NE-OD1 2.91Å; R651-D655 IonicContact NE-OD2 3.72Å; R651-D655 PolarHBondContact NE-OD2 2.73Å; R651-D655 WeakPolarHBondContact O-CB 3.36Å; R651-D655 VanDerWaalsContact O-CG 3.32Å; R651-D655 PolarHBondContact O-N 3.28Å; I652-D655 PolarHBondContact O-N 3.43Å; M653-D655 VanDerWaalsContact C-N 3.29Å; M653-D655 PolarHBondContact O-N 3.49Å; D655-L657 PolarHBondContact O-N 2.71Å; D655-M658 PolarHBondContact O-N 2.96Å; D655-Y659 HydrophobicContact CB-CD2 3.99Å; D655-Y659 HydrophobicContact CB-CE2 4.09Å; D655-Y659 WeakPolarHBondContact O-CB 3.45Å; D655-Y659 WeakPolarHBondContact O-CD2 3.13Å; D655-Y659 PolarHBondContact O-N 2.88Å
656Q98.4Very high97.8Very high19 Ų1934 Ų349%0.08917%0.173CC..Hα-helixtrans-58.6-44.4172.6-66.1-171.3-85.400112.3F635 I652 M653 L660 T734 T736F635-Q656 HydrophobicContact CD2-CB 4.49Å; F635-Q656 HydrophobicContact CE2-CB 3.65Å; F635-Q656 HydrophobicContact CE2-CG 4.32Å; F635-Q656 HydrophobicContact CZ-CB 4.18Å; I652-Q656 PolarHBondContact O-N 2.93Å; I652-Q656 VanDerWaalsContact O-N 3.11Å; M653-Q656 PolarHBondContact O-N 3.34Å; Q656-L660 PolarHBondContact O-N 3.12Å; Q656-L660 VanDerWaalsContact O-N 3.12Å; Q656-T734 PolarHBondContact NE2-O 3.11Å; Q656-T736 PolarHBondContact NE2-O 3.13Å
657L98.6Very high97.9Very high6 Ų636.2 Ų36.23%0.03119%0.19CC..Hα-helixtrans-62.1-44.3175.9-75.4171.3000112.7V581 L582 L584 F635 M653 N654 D655V581-L657 HydrophobicContact CG1-CD1 4.1Å; L582-L657 HydrophobicContact CB-CB 4.38Å; L582-L657 HydrophobicContact CB-CD1 4Å; L582-L657 HydrophobicContact CD1-CB 4.37Å; L582-L657 WeakPolarHBondContact O-CD1 3.29Å; L584-L657 HydrophobicContact CB-CB 4.35Å; L584-L657 HydrophobicContact CB-CD2 4.1Å; L584-L657 HydrophobicContact CD1-CB 4.3Å; L584-L657 WeakPolarHBondContact O-CD2 3.49Å; F635-L657 HydrophobicContact CD1-CD2 4.49Å; F635-L657 HydrophobicContact CE1-CD1 4.47Å; F635-L657 HydrophobicContact CE1-CD2 3.51Å; F635-L657 HydrophobicContact CE1-CG 3.82Å; F635-L657 HydrophobicContact CZ-CD1 4.46Å; F635-L657 HydrophobicContact CZ-CD2 3.98Å; F635-L657 HydrophobicContact CZ-CG 3.77Å; M653-L657 PolarHBondContact O-N 2.82Å; N654-L657 PolarHBondContact O-N 3.4Å; D655-L657 PolarHBondContact O-N 2.71Å
658M98.5Very high98.1Very high1 Ų139.5 Ų39.51%0.00520%0.204CC..Hα-helixtrans-69-44.6-178.3179.1179.977.100112.4R359 V436 L582 N654 D655 L660 R662R359-M658 VanDerWaalsContact CD-SD 3.51Å; V436-M658 HydrophobicContact CG2-SD 3.96Å; L582-M658 HydrophobicContact CD1-CB 4.01Å; N654-M658 VanDerWaalsContact O-CB 3.3Å; N654-M658 WeakPolarHBondContact O-CB 3.26Å; N654-M658 PolarHBondContact O-N 3.39Å; D655-M658 PolarHBondContact O-N 2.96Å; M658-L660 VanDerWaalsContact C-N 3.34Å; M658-R662 PolarHBondContact O-NH1 2.89Å
659Y98.6Very high98.1Very high64 Ų6434.7 Ų34.725%0.25118%0.182SC..Hα-helixtrans-81.6-11.3-175.3-72.7-68.5000113.4E433 D655 E661 R662 A663E433-Y659 PolarHBondContact O-OH 2.61Å; E433-Y659 PolarHBondContact OE2-OH 2.77Å; D655-Y659 HydrophobicContact CB-CD2 3.99Å; D655-Y659 HydrophobicContact CB-CE2 4.09Å; D655-Y659 WeakPolarHBondContact O-CB 3.45Å; D655-Y659 WeakPolarHBondContact O-CD2 3.13Å; D655-Y659 PolarHBondContact O-N 2.88Å; Y659-E661 VanDerWaalsContact C-N 3.27Å; Y659-E661 PolarHBondContact O-N 3.15Å; Y659-R662 HydrophobicContact CD1-CG 3.93Å; Y659-R662 WeakPolarHBondContact O-CA 3.45Å; Y659-R662 VanDerWaalsContact O-CB 3.31Å; Y659-R662 WeakPolarHBondContact O-CB 3.39Å; Y659-R662 PolarHBondContact O-N 3.43Å; Y659-A663 PolarHBondContact O-N 3.31Å
660L98.6Very high98.1Very high5 Ų531.4 Ų31.43%0.02617%0.167CC..THydrogen-bonded Turntrans-51.4-45.8175.5177.959.9000112.3A586 F628 Q656 M658 R662 A663 F664 L735A586-L660 HydrophobicContact CB-CD2 3.84Å; F628-L660 HydrophobicContact CE2-CD1 3.83Å; F628-L660 HydrophobicContact CZ-CD1 3.99Å; F628-L660 HydrophobicContact CZ-CD2 4.41Å; Q656-L660 PolarHBondContact O-N 3.12Å; Q656-L660 VanDerWaalsContact O-N 3.12Å; M658-L660 VanDerWaalsContact C-N 3.34Å; L660-R662 VanDerWaalsContact C-N 3.29Å; L660-R662 PolarHBondContact O-N 2.92Å; L660-A663 VanDerWaalsContact O-CB 3.3Å; L660-A663 WeakPolarHBondContact O-CB 3.36Å; L660-A663 PolarHBondContact O-N 3.02Å; L660-A663 VanDerWaalsContact O-N 3.15Å; L660-F664 HydrophobicContact CD1-CE2 4.37Å; L660-F664 HydrophobicContact CG-CE2 4.39Å; L660-L735 HydrophobicContact CD1-CD1 3.91Å; L660-L735 HydrophobicContact CD1-CD2 4.05Å; L660-L735 HydrophobicContact CD1-CG 3.94Å; L660-L735 HydrophobicContact CD2-CD1 4.33Å; L660-L735 HydrophobicContact CD2-CD2 4.3Å
661E98.7Very high97.9Very high4 Ų434.3 Ų34.32%0.01919%0.186CC..G310 helixtrans-65-34.1179.3-164.279.3-107.600112T456 F514 G518 A520 Y589 Y659 A663 F664 H678T456-E661 WeakPolarHBondContact CB-OE2 3.46Å; T456-E661 WeakPolarHBondContact CG2-OE2 3.19Å; T456-E661 PolarHBondContact OG1-OE2 3.37Å; F514-E661 HydrophobicContact CE2-CG 4.48Å; G518-E661 CarbonylContact O-C 3.33Å; G518-E661 VanDerWaalsContact O-C 3.32Å; G518-E661 WeakPolarHBondContact O-CB 3.12Å; G518-E661 WeakPolarHBondContact O-CG 3.29Å; A520-E661 HydrophobicContact CB-CB 4.46Å; A520-E661 HydrophobicContact CB-CG 4.44Å; Y589-E661 WeakPolarHBondContact CE2-OE1 3.29Å; Y589-E661 PolarHBondContact OH-OE1 3.46Å; Y659-E661 VanDerWaalsContact C-N 3.27Å; Y659-E661 PolarHBondContact O-N 3.15Å; E661-A663 PolarHBondContact O-N 2.86Å; E661-F664 PolarHBondContact O-N 3.05Å; E661-H678 IonicContact OE1-CE1 2.8Å; E661-H678 IonicContact OE1-NE2 3.71Å; E661-H678 PolarHBondContact OE1-NE2 3.15Å; E661-H678 VanDerWaalsContact OE1-NE2 3.16Å
662R98.6Very high97.6Very high32 Ų3235.6 Ų35.612%0.12122%0.215CC..G310 helixtrans-65.1-29.4175.9-55.1-61.9-177.1-56.6-16.5112L431 Q432 A435 L517 G518 M658 Y659 L660 F664 I665L431-R662 PolarHBondContact O-NH2 3.35Å; Q432-R662 PolarHBondContact O-NE 2.88Å; Q432-R662 PolarHBondContact O-NH2 3.34Å; A435-R662 PolarHBondContact O-NH2 3.11Å; L517-R662 WeakPolarHBondContact O-CD 3.42Å; L517-R662 PolarHBondContact O-NE 2.81Å; L517-R662 VanDerWaalsContact O-NE 3.16Å; G518-R662 WeakPolarHBondContact O-CD 3.14Å; G518-R662 PolarHBondContact O-N 2.89Å; G518-R662 PolarHBondContact O-NE 3.34Å; G518-R662 PolarHBondContact O-NH1 3.39Å; M658-R662 PolarHBondContact O-NH1 2.89Å; Y659-R662 HydrophobicContact CD1-CG 3.93Å; Y659-R662 WeakPolarHBondContact O-CA 3.45Å; Y659-R662 VanDerWaalsContact O-CB 3.31Å; Y659-R662 WeakPolarHBondContact O-CB 3.39Å; Y659-R662 PolarHBondContact O-N 3.43Å; L660-R662 VanDerWaalsContact C-N 3.29Å; L660-R662 PolarHBondContact O-N 2.92Å; R662-F664 PolarHBondContact O-N 3.25Å; R662-F664 VanDerWaalsContact O-N 3.13Å; R662-I665 WeakPolarHBondContact O-CB 3.3Å; R662-I665 PolarHBondContact O-N 2.85Å; R662-I665 VanDerWaalsContact O-N 3.08Å
663A98.6Very high97.5Very high26 Ų2633.2 Ų33.222%0.21520%0.201CC..G310 helixtrans-66-14-178.800000113.1Y659 L660 E661 T727 A731 T734Y659-A663 PolarHBondContact O-N 3.31Å; L660-A663 VanDerWaalsContact O-CB 3.3Å; L660-A663 WeakPolarHBondContact O-CB 3.36Å; L660-A663 PolarHBondContact O-N 3.02Å; L660-A663 VanDerWaalsContact O-N 3.15Å; E661-A663 PolarHBondContact O-N 2.86Å; A663-T727 WeakPolarHBondContact O-CG2 3.47Å; A663-A731 HydrophobicContact CB-CB 3.72Å; A663-T734 HydrophobicContact CB-CG2 3.78Å
664F98.7Very high97.4Very high0 Ų035.4 Ų35.40%022%0.217CC..G310 helixtrans-91.25.9175.2-60.8-62.4000114.6Y589 L593 F628 L660 E661 R662 H678 V679 I680 T727 A731Y589-F664 AromaticContact CD1-CE2 3.97Å; Y589-F664 HydrophobicContact CD1-CE2 3.97Å; Y589-F664 AromaticContact CD1-CZ 3.81Å; Y589-F664 HydrophobicContact CD1-CZ 3.81Å; Y589-F664 HydrophobicContact CD2-CE2 4.12Å; Y589-F664 HydrophobicContact CE1-CD2 4.13Å; Y589-F664 HydrophobicContact CE1-CE1 4.11Å; Y589-F664 AromaticContact CE1-CE2 3.41Å; Y589-F664 HydrophobicContact CE1-CE2 3.41Å; Y589-F664 VanDerWaalsContact CE1-CE2 3.41Å; Y589-F664 AromaticContact CE1-CZ 3.38Å; Y589-F664 HydrophobicContact CE1-CZ 3.38Å; Y589-F664 HydrophobicContact CE2-CD2 4.05Å; Y589-F664 AromaticContact CE2-CE2 3.56Å; Y589-F664 HydrophobicContact CE2-CE2 3.56Å; Y589-F664 HydrophobicContact CE2-CZ 4.37Å; Y589-F664 HydrophobicContact CG-CE2 4.31Å; Y589-F664 HydrophobicContact CG-CZ 4.48Å; Y589-F664 AromaticContact CZ-CD2 3.57Å; Y589-F664 AromaticContact CZ-CE2 3.17Å; Y589-F664 AromaticContact CZ-CZ 3.7Å; Y589-F664 VanDerWaalsContact OH-CD2 3.23Å; Y589-F664 WeakPolarHBondContact OH-CD2 3.49Å; Y589-F664 WeakPolarHBondContact OH-CE2 3.38Å; L593-F664 HydrophobicContact CD1-CE1 4.35Å; L593-F664 HydrophobicContact CD1-CZ 4.25Å; F628-F664 HydrophobicContact CD2-CZ 4.49Å; F628-F664 HydrophobicContact CE2-CE1 4.36Å; F628-F664 AromaticContact CE2-CZ 3.68Å; F628-F664 HydrophobicContact CE2-CZ 3.68Å; F628-F664 HydrophobicContact CZ-CZ 4.02Å; L660-F664 HydrophobicContact CD1-CE2 4.37Å; L660-F664 HydrophobicContact CG-CE2 4.39Å; E661-F664 PolarHBondContact O-N 3.05Å; R662-F664 PolarHBondContact O-N 3.25Å; R662-F664 VanDerWaalsContact O-N 3.13Å; F664-H678 WeakPolarHBondContact CB-CE1 3.39Å; F664-H678 AromaticContact CG-CE1 3.99Å; F664-H678 WeakPolarHBondContact O-CA 3.42Å; F664-V679 PolarHBondContact O-N 3.2Å; F664-I680 HydrophobicContact CB-CG1 4.06Å; F664-I680 HydrophobicContact CD1-CD1 3.9Å; F664-I680 HydrophobicContact CD1-CG1 3.43Å; F664-I680 VanDerWaalsContact CD1-CG1 3.43Å; F664-I680 HydrophobicContact CE1-CD1 4.23Å; F664-I680 HydrophobicContact CE1-CG1 3.94Å; F664-I680 HydrophobicContact CG-CG1 3.76Å; F664-T727 HydrophobicContact CD1-CG2 4.27Å; F664-A731 HydrophobicContact CD1-CB 3.92Å; F664-A731 HydrophobicContact CE1-CB 3.39Å; F664-A731 HydrophobicContact CE2-CB 4.41Å; F664-A731 HydrophobicContact CZ-CB 3.68Å
665I98.6Very high97.3Very high32 Ų3236.7 Ų36.716%0.16422%0.223CC..BIsolated β-bridgetrans-93.7116.1-179.9-62.1-63.9000110.3G518 R662 R677 H678G518-I665 VanDerWaalsContact CA-CD1 3.47Å; G518-I665 VanDerWaalsContact CA-CG1 3.47Å; R662-I665 WeakPolarHBondContact O-CB 3.3Å; R662-I665 PolarHBondContact O-N 2.85Å; R662-I665 VanDerWaalsContact O-N 3.08Å; I665-R677 WeakPolarHBondContact CA-O 3.45Å; I665-R677 HydrophobicContact CD1-CB 4.24Å; I665-R677 HydrophobicContact CG2-CB 3.71Å; I665-H678 HydrophobicContact CD1-CB 3.82Å
666D98.4Very high97.2Very high32 Ų3235 Ų3517%0.17121%0.214CC..  trans-88.5115.6166.3-175.8-16.6000109.3L668 G669 R677 V679D666-L668 PolarHBondContact O-N 3.44Å; D666-L668 VanDerWaalsContact O-N 3.13Å; D666-L668 WeakPolarHBondContact OD1-CB 3.47Å; D666-L668 PolarHBondContact OD1-N 2.61Å; D666-G669 PolarHBondContact O-N 2.87Å; D666-R677 PolarHBondContact N-O 2.7Å; D666-R677 VanDerWaalsContact O-CB 3.24Å; D666-R677 WeakPolarHBondContact O-CB 2.99Å; D666-R677 WeakPolarHBondContact O-CG 3.44Å; D666-V679 HydrophobicContact CB-CG2 3.63Å
667P97.6Very high97.2Very high98 Ų9836.8 Ų36.864%0.63622%0.22SC*.THydrogen-bonded Turntrans-61.8-21-17926.7-35.6000113.8G669P667-G669 VanDerWaalsContact C-N 3.27Å
668L97.9Very high97.2Very high138 Ų13836.5 Ų36.572%0.72322%0.218SC*.THydrogen-bonded Turntrans-74.9-19.9176.2-58.8179.3000112.6D666D666-L668 PolarHBondContact O-N 3.44Å; D666-L668 VanDerWaalsContact O-N 3.13Å; D666-L668 WeakPolarHBondContact OD1-CB 3.47Å; D666-L668 PolarHBondContact OD1-N 2.61Å
669G96.9Very high97.2Very high14 Ų1437 Ų3714%0.14422%0.221CC..  trans69.8179.7-17500000114.1D666 P667 Y676D666-G669 PolarHBondContact O-N 2.87Å; P667-G669 VanDerWaalsContact C-N 3.27Å; G669-Y676 CarbonylContact C-O 3.57Å; G669-Y676 VanDerWaalsContact CA-O 3.24Å; G669-Y676 WeakPolarHBondContact CA-O 3.47Å
670L95.6Very high97.1Very high11 Ų1133.9 Ų33.96%0.05821%0.209CC..BIsolated β-bridgetrans-75.3156.7177.2-68.3173.5000111.2G672 R673 Y676 A682 P695L670-G672 PolarHBondContact O-N 3.44Å; L670-G672 VanDerWaalsContact O-N 3.15Å; L670-R673 HydrophobicContact CB-CB 4.31Å; L670-R673 PolarHBondContact N-O 3.22Å; L670-R673 CarbonylContact O-C 3.57Å; L670-R673 PolarHBondContact O-N 2.78Å; L670-Y676 WeakPolarHBondContact CG-O 3.34Å; L670-Y676 PolarHBondContact N-O 2.82Å; L670-A682 HydrophobicContact CD1-CB 3.48Å; L670-A682 VanDerWaalsContact CD1-CB 3.48Å; L670-P695 HydrophobicContact CD1-CB 4Å; L670-P695 HydrophobicContact CD1-CG 3.68Å; L670-P695 HydrophobicContact CD2-CG 4.24Å
671P93.7Very high97Very high61 Ų6133.8 Ų33.840%0.39621%0.208SC..THydrogen-bonded Turntrans-50.4122.5177.7-27.634.8000112.6R673 E716 Q720P671-R673 PolarHBondContact O-N 3.44Å; P671-E716 WeakPolarHBondContact CG-OE1 3.42Å; P671-Q720 VanDerWaalsContact CG-NE2 3.32Å
672G91.6Very high96.6Very high78 Ų7833.6 Ų33.680%0.80421%0.207SC*.THydrogen-bonded Turntrans678-178.800000115.5L670L670-G672 PolarHBondContact O-N 3.44Å; L670-G672 VanDerWaalsContact O-N 3.15Å
673R94.6Very high96Very high15 Ų1532 Ų326%0.05720%0.201CC..BIsolated β-bridgetrans-140.970.8-174.7-62.1179.3-65.3168.6-2.5110.7N252 L670 P671 F675 Y676 P683 D699N252-R673 HydrophobicContact CB-CB 4.31Å; N252-R673 HydrophobicContact CB-CG 3.96Å; L670-R673 HydrophobicContact CB-CB 4.31Å; L670-R673 PolarHBondContact N-O 3.22Å; L670-R673 CarbonylContact O-C 3.57Å; L670-R673 PolarHBondContact O-N 2.78Å; P671-R673 PolarHBondContact O-N 3.44Å; R673-F675 PolarHBondContact O-N 2.95Å; R673-F675 VanDerWaalsContact O-N 3.11Å; R673-Y676 HydrophobicContact CB-CD2 4.23Å; R673-Y676 PolarHBondContact O-N 2.92Å; R673-P683 PolarHBondContact NH1-O 2.85Å; R673-D699 IonicContact CZ-OD2 2.93Å; R673-D699 IonicContact NH1-OD2 2.94Å; R673-D699 IonicContact NH2-OD2 2.99Å; R673-D699 PolarHBondContact NH2-OD2 2.83Å
674P96.3Very high95.1Very high68 Ų6831 Ų3144%0.44219%0.193SC..THydrogen-bonded Turntrans-66.4-16.3-170.227.4-36.5000114.9R677P674-R677 WeakPolarHBondContact O-CG 3.46Å; P674-R677 PolarHBondContact O-NE 2.99Å; P674-R677 VanDerWaalsContact O-NE 3.13Å
675F96.8Very high94.4Very high29 Ų2932.2 Ų32.213%0.12720%0.201CC..THydrogen-bonded Turntrans-92.1-12.5177.3-56.9-69.4000113.3G253 A254 P260 R516 R673G253-F675 VanDerWaalsContact C-CB 3.5Å; G253-F675 VanDerWaalsContact O-CB 3.23Å; G253-F675 WeakPolarHBondContact O-CB 3.48Å; A254-F675 VanDerWaalsContact CA-CD2 3.42Å; A254-F675 HydrophobicContact CB-CD2 3.71Å; A254-F675 HydrophobicContact CB-CE2 3.7Å; P260-F675 HydrophobicContact CB-CE2 3.94Å; P260-F675 HydrophobicContact CB-CZ 3.8Å; R516-F675 WeakPolarHBondContact CB-O 3.26Å; R673-F675 PolarHBondContact O-N 2.95Å; R673-F675 VanDerWaalsContact O-N 3.11Å
676Y96.9Very high93.4Very high2 Ų232.5 Ų32.51%0.00820%0.201CC..  trans-91.6102.2168.2-67.7-14.2000109.4N252 G253 E511 I515 G669 L670 R673 P683N252-Y676 VanDerWaalsContact C-CZ 3.44Å; N252-Y676 HydrophobicContact CB-CD2 4.49Å; N252-Y676 HydrophobicContact CB-CE2 4.09Å; G253-Y676 VanDerWaalsContact N-CE1 3.33Å; E511-Y676 HydrophobicContact CG-CE1 4.13Å; E511-Y676 VanDerWaalsContact OE1-CE1 3.27Å; E511-Y676 WeakPolarHBondContact OE1-CE1 3.38Å; E511-Y676 VanDerWaalsContact OE1-CZ 3.3Å; E511-Y676 PolarHBondContact OE1-OH 3Å; I515-Y676 HydrophobicContact CG2-CD1 3.47Å; I515-Y676 VanDerWaalsContact CG2-CD1 3.47Å; I515-Y676 HydrophobicContact CG2-CE1 4.22Å; I515-Y676 HydrophobicContact CG2-CG 3.91Å; G669-Y676 CarbonylContact C-O 3.57Å; G669-Y676 VanDerWaalsContact CA-O 3.24Å; G669-Y676 WeakPolarHBondContact CA-O 3.47Å; L670-Y676 WeakPolarHBondContact CG-O 3.34Å; L670-Y676 PolarHBondContact N-O 2.82Å; R673-Y676 HydrophobicContact CB-CD2 4.23Å; R673-Y676 PolarHBondContact O-N 2.92Å; Y676-P683 HydrophobicContact CD2-CG 4.43Å; Y676-P683 HydrophobicContact CE1-CG 4.29Å; Y676-P683 HydrophobicContact CE2-CB 4.07Å; Y676-P683 HydrophobicContact CE2-CG 3.78Å
677R97.9Very high92.4Very high57 Ų5732.3 Ų32.322%0.21520%0.201CC..  trans-113.3-19.4-167.8-63.2-179.4-178.8173.4-3.8113.8I515 I665 D666 P674 V679I515-R677 PolarHBondContact O-N 2.9Å; I515-R677 VanDerWaalsContact O-N 3.08Å; I665-R677 WeakPolarHBondContact CA-O 3.45Å; I665-R677 HydrophobicContact CD1-CB 4.24Å; I665-R677 HydrophobicContact CG2-CB 3.71Å; D666-R677 PolarHBondContact N-O 2.7Å; D666-R677 VanDerWaalsContact O-CB 3.24Å; D666-R677 WeakPolarHBondContact O-CB 2.99Å; D666-R677 WeakPolarHBondContact O-CG 3.44Å; P674-R677 WeakPolarHBondContact O-CG 3.46Å; P674-R677 PolarHBondContact O-NE 2.99Å; P674-R677 VanDerWaalsContact O-NE 3.13Å; R677-V679 PolarHBondContact O-N 3.37Å
678H98.1Very high91.3Very high0 Ų028.3 Ų28.30%017%0.173CC..BIsolated β-bridgetrans-72.3113.4179.8-167.7-18.1000110.9F514 I515 Y589 E661 F664 I665 I680 F681F514-H678 AromaticContact CE2-CD2 3.69Å; F514-H678 AromaticContact CE2-NE2 3.58Å; F514-H678 AromaticContact CZ-CD2 3.76Å; F514-H678 AromaticContact CZ-NE2 3.7Å; I515-H678 PolarHBondContact O-N 2.57Å; Y589-H678 PolarHBondContact OH-CE1 2.79Å; E661-H678 IonicContact OE1-CE1 2.8Å; E661-H678 IonicContact OE1-NE2 3.71Å; E661-H678 PolarHBondContact OE1-NE2 3.15Å; E661-H678 VanDerWaalsContact OE1-NE2 3.16Å; F664-H678 WeakPolarHBondContact CB-CE1 3.39Å; F664-H678 AromaticContact CG-CE1 3.99Å; F664-H678 WeakPolarHBondContact O-CA 3.42Å; I665-H678 HydrophobicContact CD1-CB 3.82Å; H678-I680 VanDerWaalsContact C-N 3.34Å; H678-I680 PolarHBondContact ND1-N 2.99Å; H678-I680 PolarHBondContact O-N 2.77Å; H678-F681 VanDerWaalsContact CB-O 3.25Å; H678-F681 WeakPolarHBondContact CB-O 3.47Å; H678-F681 AromaticContact CE1-CD2 3.57Å; H678-F681 PolarHBondContact ND1-N 2.71Å; H678-F681 AromaticContact NE2-CD2 3.56Å; H678-F681 CarbonylContact O-C 3.57Å; H678-F681 VanDerWaalsContact O-O 3.07Å
679V98.1Very high89.7Confident10 Ų1026.3 Ų26.36%0.06116%0.157CC..SBendtrans-72.6-28.9-172.81770000112.4F664 D666 R677 P695 I723 A724 T727F664-V679 PolarHBondContact O-N 3.2Å; D666-V679 HydrophobicContact CB-CG2 3.63Å; R677-V679 PolarHBondContact O-N 3.37Å; V679-P695 WeakPolarHBondContact O-CD 3.3Å; V679-I723 HydrophobicContact CG1-CG2 4.3Å; V679-I723 HydrophobicContact CG2-CG2 4.35Å; V679-A724 HydrophobicContact CG1-CB 4.3Å; V679-T727 HydrophobicContact CB-CG2 3.95Å; V679-T727 HydrophobicContact CG1-CG2 4.36Å; V679-T727 HydrophobicContact CG2-CG2 3.94Å
680I97.8Very high88.4Confident0 Ų027 Ų270%016%0.161CC..SBendtrans-82.9-41.5178.5-48-52.7000111.2Y589 L593 Y596 F664 H678 S693 F694 V728Y589-I680 HydrophobicContact CE1-CG1 4.46Å; Y589-I680 HydrophobicContact CE1-CG2 4.39Å; L593-I680 HydrophobicContact CD2-CD1 3.67Å; L593-I680 HydrophobicContact CD2-CG1 4.1Å; L593-I680 HydrophobicContact CD2-CG2 3.95Å; Y596-I680 HydrophobicContact CD2-CG2 3.99Å; Y596-I680 HydrophobicContact CE2-CG2 4.25Å; F664-I680 HydrophobicContact CB-CG1 4.06Å; F664-I680 HydrophobicContact CD1-CD1 3.9Å; F664-I680 HydrophobicContact CD1-CG1 3.43Å; F664-I680 VanDerWaalsContact CD1-CG1 3.43Å; F664-I680 HydrophobicContact CE1-CD1 4.23Å; F664-I680 HydrophobicContact CE1-CG1 3.94Å; F664-I680 HydrophobicContact CG-CG1 3.76Å; H678-I680 VanDerWaalsContact C-N 3.34Å; H678-I680 PolarHBondContact ND1-N 2.99Å; H678-I680 PolarHBondContact O-N 2.77Å; I680-S693 CarbonylContact O-C 3.47Å; I680-S693 WeakPolarHBondContact O-CA 3.24Å; I680-F694 HydrophobicContact CD1-CD1 4.18Å; I680-F694 HydrophobicContact CD1-CE1 3.49Å; I680-F694 VanDerWaalsContact CD1-CE1 3.49Å; I680-F694 HydrophobicContact CD1-CZ 4.12Å; I680-F694 PolarHBondContact O-N 3.11Å; I680-V728 HydrophobicContact CD1-CG2 3.77Å
681F95.4Very high87.2Confident2 Ų227 Ų271%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-129.1123.9-174.5-57.2-71.4000111.4P457 K503 F514 Y589 Y596 H678P457-F681 HydrophobicContact CG-CE2 4.48Å; P457-F681 HydrophobicContact CG-CZ 4.01Å; K503-F681 HydrophobicContact CB-CE1 4.45Å; K503-F681 HydrophobicContact CD-CD1 4.13Å; K503-F681 HydrophobicContact CD-CE1 3.83Å; K503-F681 HydrophobicContact CG-CD1 4.44Å; K503-F681 HydrophobicContact CG-CE1 3.99Å; F514-F681 HydrophobicContact CE1-CB 3.72Å; F514-F681 HydrophobicContact CE1-CD2 4.13Å; F514-F681 HydrophobicContact CE1-CG 4.12Å; F514-F681 HydrophobicContact CE2-CD2 4.36Å; F514-F681 HydrophobicContact CZ-CB 3.92Å; F514-F681 AromaticContact CZ-CD2 3.43Å; F514-F681 HydrophobicContact CZ-CD2 3.43Å; F514-F681 VanDerWaalsContact CZ-CD2 3.43Å; F514-F681 HydrophobicContact CZ-CE2 4.11Å; F514-F681 AromaticContact CZ-CG 3.89Å; F514-F681 HydrophobicContact CZ-CG 3.89Å; Y589-F681 HydrophobicContact CE2-CE2 4.39Å; Y589-F681 AromaticContact CZ-CE2 3.87Å; Y589-F681 VanDerWaalsContact OH-CE2 3.26Å; Y589-F681 WeakPolarHBondContact OH-CE2 3.44Å; Y596-F681 HydrophobicContact CD2-CE1 4.31Å; Y596-F681 HydrophobicContact CD2-CZ 4.49Å; Y596-F681 AromaticContact CE2-CE1 3.4Å; Y596-F681 HydrophobicContact CE2-CE1 3.4Å; Y596-F681 VanDerWaalsContact CE2-CE1 3.4Å; Y596-F681 AromaticContact CE2-CZ 3.49Å; Y596-F681 HydrophobicContact CE2-CZ 3.49Å; Y596-F681 VanDerWaalsContact CE2-CZ 3.49Å; Y596-F681 AromaticContact CZ-CE1 3.73Å; H678-F681 VanDerWaalsContact CB-O 3.25Å; H678-F681 WeakPolarHBondContact CB-O 3.47Å; H678-F681 AromaticContact CE1-CD2 3.57Å; H678-F681 PolarHBondContact ND1-N 2.71Å; H678-F681 AromaticContact NE2-CD2 3.56Å; H678-F681 CarbonylContact O-C 3.57Å; H678-F681 VanDerWaalsContact O-O 3.07Å
682A90.8Very high86.8Confident0 Ų026.2 Ų26.20%016%0.155CC..EExtended strand (participates in β ladder)trans-152.6164.8163.100000110.1I515 L670 S684 E692 P695I515-A682 HydrophobicContact CG2-CB 4.45Å; L670-A682 HydrophobicContact CD1-CB 3.48Å; L670-A682 VanDerWaalsContact CD1-CB 3.48Å; A682-S684 PolarHBondContact O-N 2.93Å; A682-E692 PolarHBondContact N-O 3.03Å; A682-E692 PolarHBondContact O-N 3.11Å; A682-P695 HydrophobicContact CB-CB 4Å; A682-P695 HydrophobicContact CB-CG 3.56Å
683P85.7Confident86.8Confident0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-61.9138.4171.3-18.934.7000109.9I515 R673 Y676 K688 A690I515-P683 HydrophobicContact CD1-CG 3.81Å; R673-P683 PolarHBondContact NH1-O 2.85Å; Y676-P683 HydrophobicContact CD2-CG 4.43Å; Y676-P683 HydrophobicContact CE1-CG 4.29Å; Y676-P683 HydrophobicContact CE2-CB 4.07Å; Y676-P683 HydrophobicContact CE2-CG 3.78Å; P683-K688 HydrophobicContact CB-CB 4.36Å; P683-K688 HydrophobicContact CB-CG 4.43Å; P683-A690 WeakPolarHBondContact CA-O 3.49Å
684S80Confident86.9Confident5 Ų522.1 Ų22.14%0.03512%0.116CC..  trans-56144.2172.61750000110.4A682 H686 N687 A690A682-S684 PolarHBondContact O-N 2.93Å; S684-H686 PolarHBondContact O-N 3.42Å; S684-H686 VanDerWaalsContact O-N 3.1Å; S684-H686 PolarHBondContact OG-N 3.03Å; S684-H686 VanDerWaalsContact OG-N 3.09Å; S684-N687 PolarHBondContact N-O 3.09Å; S684-N687 CarbonylContact O-C 3.58Å; S684-N687 PolarHBondContact O-N 3.46Å; S684-A690 PolarHBondContact N-O 2.69Å
685S82.8Confident86.9Confident24 Ų2418.9 Ų18.917%0.16810%0.095CC..SBendtrans-62.2-16.4171.771.50000113.3N202 D699N202-S685 PolarHBondContact ND2-O 2.81Å; S685-D699 WeakPolarHBondContact CB-OD1 3.21Å; S685-D699 PolarHBondContact N-OD1 3.24Å; S685-D699 VanDerWaalsContact OG-CG 3.24Å; S685-D699 PolarHBondContact OG-OD1 2.91Å
686H79.2Confident86.9Confident38 Ų3817.9 Ų17.918%0.1769%0.093CC..SBendtrans-105.2-18.2-179.7-52.3-66.5000113.8T172 S684 D699 F702T172-H686 PolarHBondContact OG1-ND1 3Å; S684-H686 PolarHBondContact O-N 3.42Å; S684-H686 VanDerWaalsContact O-N 3.1Å; S684-H686 PolarHBondContact OG-N 3.03Å; S684-H686 VanDerWaalsContact OG-N 3.09Å; H686-D699 IonicContact CD2-OD1 3.87Å; H686-F702 AromaticContact CD2-CD1 3.88Å; H686-F702 AromaticContact CD2-CD2 3.69Å; H686-F702 AromaticContact CD2-CE2 3.89Å; H686-F702 AromaticContact CD2-CG 3.68Å; H686-F702 AromaticContact CE1-CD1 3.41Å; H686-F702 VanDerWaalsContact CE1-CD1 3.41Å; H686-F702 WeakPolarHBondContact CE1-CD1 3.37Å; H686-F702 AromaticContact CE1-CE1 3.49Å; H686-F702 VanDerWaalsContact CE1-CE1 3.49Å; H686-F702 WeakPolarHBondContact CE1-CE1 3.43Å; H686-F702 AromaticContact CE1-CG 3.98Å; H686-F702 AromaticContact ND1-CE1 3.95Å; H686-F702 AromaticContact NE2-CD1 3.13Å; H686-F702 WeakPolarHBondContact NE2-CD1 3.3Å; H686-F702 AromaticContact NE2-CD2 3.76Å; H686-F702 AromaticContact NE2-CE1 3.59Å; H686-F702 AromaticContact NE2-CG 3.22Å; H686-F702 WeakPolarHBondContact NE2-CG 3.16Å
687N75.9Confident86.9Confident29 Ų2917.9 Ų17.916%0.1559%0.093CC..  trans-150.7105.7176.6-175.96000112.4K197 I198 S684 Y689 A690K197-N687 PolarHBondContact O-ND2 2.85Å; K197-N687 VanDerWaalsContact O-ND2 3.11Å; I198-N687 WeakPolarHBondContact CA-OD1 3.36Å; I198-N687 HydrophobicContact CB-CB 4.33Å; I198-N687 HydrophobicContact CG2-CB 3.78Å; S684-N687 PolarHBondContact N-O 3.09Å; S684-N687 CarbonylContact O-C 3.58Å; S684-N687 PolarHBondContact O-N 3.46Å; N687-Y689 VanDerWaalsContact C-N 3.26Å; N687-Y689 PolarHBondContact O-N 3.02Å; N687-Y689 PolarHBondContact OD1-N 3.47Å; N687-A690 HydrophobicContact CB-CB 4.39Å; N687-A690 PolarHBondContact O-N 2.83Å
688K74.4Confident86.8Confident13 Ų1318 Ų186%0.0579%0.094CC..THydrogen-bonded Turntrans-65.4-24.2179.3-71.9-173.3-177.1179.20115.1F199 N202 N250 N252 S506 P683F199-K688 HydrophobicContact CB-CB 3.97Å; F199-K688 HydrophobicContact CD1-CB 4.22Å; F199-K688 HydrophobicContact CD1-CD 3.76Å; F199-K688 HydrophobicContact CD1-CG 4.33Å; F199-K688 HydrophobicContact CE1-CD 4.11Å; F199-K688 HydrophobicContact CG-CB 4.31Å; N202-K688 WeakPolarHBondContact OD1-CG 3.15Å; N202-K688 PolarHBondContact OD1-N 3.01Å; N250-K688 WeakPolarHBondContact OD1-CE 3.33Å; N250-K688 PolarHBondContact OD1-NZ 3.39Å; N252-K688 WeakPolarHBondContact OD1-CE 3.4Å; S506-K688 WeakPolarHBondContact CB-O 3.39Å; S506-K688 PolarHBondContact N-O 3.48Å; P683-K688 HydrophobicContact CB-CB 4.36Å; P683-K688 HydrophobicContact CB-CG 4.43Å
689Y65.4Low86.5Confident96 Ų9619.4 Ų19.438%0.37610%0.101SC..THydrogen-bonded Turntrans-78.5-21.7-178.3-65.7-41.1000113.6F199 N687F199-Y689 HydrophobicContact CB-CD1 4.3Å; F199-Y689 HydrophobicContact CB-CD2 3.89Å; F199-Y689 HydrophobicContact CB-CE1 4.16Å; F199-Y689 HydrophobicContact CB-CE2 3.75Å; F199-Y689 HydrophobicContact CB-CG 4.18Å; F199-Y689 AromaticContact CD2-CE1 3.87Å; F199-Y689 HydrophobicContact CD2-CE1 3.87Å; F199-Y689 HydrophobicContact CD2-CE2 4.17Å; F199-Y689 AromaticContact CD2-CZ 3.55Å; F199-Y689 WeakPolarHBondContact CD2-OH 3.39Å; F199-Y689 HydrophobicContact CG-CE1 4.39Å; F199-Y689 HydrophobicContact CG-CE2 4.48Å; N687-Y689 VanDerWaalsContact C-N 3.26Å; N687-Y689 PolarHBondContact O-N 3.02Å; N687-Y689 PolarHBondContact OD1-N 3.47Å
690A69.4Low86.4Confident28 Ų2819.8 Ų19.823%0.23111%0.106CC..SBendtrans-91.6122.2177.900000109.7P683 S684 N687 E692P683-A690 WeakPolarHBondContact CA-O 3.49Å; S684-A690 PolarHBondContact N-O 2.69Å; N687-A690 HydrophobicContact CB-CB 4.39Å; N687-A690 PolarHBondContact O-N 2.83Å; A690-E692 PolarHBondContact O-N 3.07Å
691G70.2Confident86.2Confident12 Ų1220.1 Ų20.112%0.12411%0.107CC..EExtended strand (participates in β ladder)trans-74.4114.6165.200000109K503 G505K503-G691 WeakPolarHBondContact CE-O 3.22Å; G505-G691 VanDerWaalsContact CA-CA 3.48Å
692E85.6Confident86Confident44 Ų4423.3 Ų23.321%0.20612%0.121CC..EExtended strand (participates in β ladder)trans-94.6145172.7-68.9-57.1153.500110.4A682 A690 Y698A682-E692 PolarHBondContact N-O 3.03Å; A682-E692 PolarHBondContact O-N 3.11Å; A690-E692 PolarHBondContact O-N 3.07Å; E692-Y698 HydrophobicContact CG-CD1 4.39Å; E692-Y698 HydrophobicContact CG-CE1 4.42Å
693S92.1Very high85.9Confident7 Ų726.1 Ų26.15%0.04914%0.136CC..EExtended strand (participates in β ladder)trans-92.8137.3173.647.60000110.5I680I680-S693 CarbonylContact O-C 3.47Å; I680-S693 WeakPolarHBondContact O-CA 3.24Å
694F96.8Very high86.3Confident1 Ų126.5 Ų26.50%0.00414%0.138CC..SBendtrans49.953.5-170.6-61.1-66.3000112.9L593 A597 I600 L621 I680 G696 I697 Y698 A724 V728L593-F694 HydrophobicContact CD2-CZ 3.97Å; A597-F694 HydrophobicContact CB-CE2 4.33Å; I600-F694 HydrophobicContact CG2-CD2 3.96Å; L621-F694 HydrophobicContact CD1-CE1 3.99Å; L621-F694 HydrophobicContact CD1-CZ 3.97Å; L621-F694 HydrophobicContact CD2-CE2 4.37Å; L621-F694 HydrophobicContact CD2-CZ 4.34Å; I680-F694 HydrophobicContact CD1-CD1 4.18Å; I680-F694 HydrophobicContact CD1-CE1 3.49Å; I680-F694 VanDerWaalsContact CD1-CE1 3.49Å; I680-F694 HydrophobicContact CD1-CZ 4.12Å; I680-F694 PolarHBondContact O-N 3.11Å; F694-G696 PolarHBondContact O-N 2.76Å; F694-G696 VanDerWaalsContact O-N 3.12Å; F694-I697 HydrophobicContact CB-CB 4.42Å; F694-I697 HydrophobicContact CB-CD1 4.02Å; F694-I697 HydrophobicContact CB-CG1 4.34Å; F694-I697 HydrophobicContact CG-CD1 4.35Å; F694-I697 PolarHBondContact O-N 2.85Å; F694-Y698 PolarHBondContact O-N 3.35Å; F694-A724 HydrophobicContact CD1-CB 3.73Å; F694-A724 HydrophobicContact CE1-CB 3.9Å; F694-V728 HydrophobicContact CE1-CG2 4.25Å; F694-V728 HydrophobicContact CZ-CG2 4.46Å
695P95.4Very high86.8Confident0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-56-33-173.225.5-38.9000113.5L670 V679 A682 I697 Y698 D699L670-P695 HydrophobicContact CD1-CB 4Å; L670-P695 HydrophobicContact CD1-CG 3.68Å; L670-P695 HydrophobicContact CD2-CG 4.24Å; V679-P695 WeakPolarHBondContact O-CD 3.3Å; A682-P695 HydrophobicContact CB-CB 4Å; A682-P695 HydrophobicContact CB-CG 3.56Å; P695-I697 PolarHBondContact O-N 3.14Å; P695-Y698 PolarHBondContact O-N 3.17Å; P695-D699 WeakPolarHBondContact O-CB 3.48Å; P695-D699 PolarHBondContact O-N 3.4Å
696G96.3Very high87.2Confident7 Ų735.7 Ų35.77%0.07218%0.181CC..Hα-helixtrans-60.8-43.5175.700000112.9F694 A700 Q720F694-G696 PolarHBondContact O-N 2.76Å; F694-G696 VanDerWaalsContact O-N 3.12Å; G696-A700 WeakPolarHBondContact O-CB 3.45Å; G696-A700 PolarHBondContact O-N 2.85Å; G696-Q720 WeakPolarHBondContact O-CG 3.39Å
697I97.3Very high87.7Confident2 Ų235.9 Ų35.91%0.0119%0.187CC..Hα-helixtrans-72.1-44.1177.3-53.5174000109.9I600 F618 L621 F694 P695 A700 L701 Q720 I721 A724I600-I697 HydrophobicContact CD1-CB 4.32Å; I600-I697 HydrophobicContact CD1-CG2 4.08Å; I600-I697 HydrophobicContact CG1-CB 3.92Å; I600-I697 HydrophobicContact CG1-CG2 3.58Å; F618-I697 HydrophobicContact CE1-CD1 4.36Å; F618-I697 HydrophobicContact CE1-CG2 4.21Å; F618-I697 HydrophobicContact CZ-CG2 4.14Å; L621-I697 HydrophobicContact CD2-CD1 4.2Å; F694-I697 HydrophobicContact CB-CB 4.42Å; F694-I697 HydrophobicContact CB-CD1 4.02Å; F694-I697 HydrophobicContact CB-CG1 4.34Å; F694-I697 HydrophobicContact CG-CD1 4.35Å; F694-I697 PolarHBondContact O-N 2.85Å; P695-I697 PolarHBondContact O-N 3.14Å; I697-A700 PolarHBondContact O-N 3.14Å; I697-L701 HydrophobicContact CG2-CD1 3.95Å; I697-L701 WeakPolarHBondContact O-CG 3.37Å; I697-L701 PolarHBondContact O-N 3.41Å; I697-L701 VanDerWaalsContact O-N 3.09Å; I697-Q720 HydrophobicContact CG1-CB 3.9Å; I697-I721 HydrophobicContact CD1-CB 4.47Å; I697-I721 HydrophobicContact CD1-CG1 3.91Å; I697-I721 HydrophobicContact CG1-CG1 4.17Å; I697-I721 HydrophobicContact CG2-CG1 4.21Å; I697-A724 HydrophobicContact CD1-CB 3.94Å
698Y95.3Very high88.5Confident60 Ų6039.9 Ų39.924%0.23522%0.224CC..Hα-helixtrans-57.6-52.2179.7-179.3-86.8000112I600 L603 E692 F694 P695 A700 L701 F702I600-Y698 HydrophobicContact CD1-CD2 4.46Å; L603-Y698 HydrophobicContact CD2-CD2 3.71Å; L603-Y698 HydrophobicContact CD2-CE2 3.87Å; E692-Y698 HydrophobicContact CG-CD1 4.39Å; E692-Y698 HydrophobicContact CG-CE1 4.42Å; F694-Y698 PolarHBondContact O-N 3.35Å; P695-Y698 PolarHBondContact O-N 3.17Å; Y698-A700 VanDerWaalsContact C-N 3.28Å; Y698-A700 PolarHBondContact O-N 2.95Å; Y698-L701 PolarHBondContact O-N 2.78Å; Y698-F702 PolarHBondContact O-N 3.11Å; Y698-F702 VanDerWaalsContact O-N 3.15Å
699D93.3Very high89.6Confident29 Ų2942.6 Ų42.616%0.15524%0.239CC..Hα-helixtrans-66.6-30.6-179.2-70-38.5000111.7R673 S685 H686 P695 L701 F702R673-D699 IonicContact CZ-OD2 2.93Å; R673-D699 IonicContact NH1-OD2 2.94Å; R673-D699 IonicContact NH2-OD2 2.99Å; R673-D699 PolarHBondContact NH2-OD2 2.83Å; S685-D699 WeakPolarHBondContact CB-OD1 3.21Å; S685-D699 PolarHBondContact N-OD1 3.24Å; S685-D699 VanDerWaalsContact OG-CG 3.24Å; S685-D699 PolarHBondContact OG-OD1 2.91Å; H686-D699 IonicContact CD2-OD1 3.87Å; P695-D699 WeakPolarHBondContact O-CB 3.48Å; P695-D699 PolarHBondContact O-N 3.4Å; D699-L701 VanDerWaalsContact C-N 3.35Å; D699-F702 PolarHBondContact O-N 2.91Å
700A94.8Very high91Very high19 Ų1940.5 Ų40.516%0.15724%0.237CC..Hα-helixtrans-71.5-27.617600000113.3G696 I697 Y698 E716 V717 Q720G696-A700 WeakPolarHBondContact O-CB 3.45Å; G696-A700 PolarHBondContact O-N 2.85Å; I697-A700 PolarHBondContact O-N 3.14Å; Y698-A700 VanDerWaalsContact C-N 3.28Å; Y698-A700 PolarHBondContact O-N 2.95Å; A700-E716 HydrophobicContact CB-CG 4.06Å; A700-V717 HydrophobicContact CB-CG2 3.81Å; A700-Q720 HydrophobicContact CB-CG 4.46Å
701L94.6Very high92.3Very high7 Ų743.9 Ų43.94%0.03725%0.251CS..Hα-helixtrans-85.6-17.8176-72.1169.6000113.1I600 A604 I697 Y698 D699 D703 I704 W714 V717I600-L701 HydrophobicContact CD1-CD1 4.31Å; A604-L701 HydrophobicContact CB-CD1 3.82Å; A604-L701 HydrophobicContact CB-CD2 4.44Å; I697-L701 HydrophobicContact CG2-CD1 3.95Å; I697-L701 WeakPolarHBondContact O-CG 3.37Å; I697-L701 PolarHBondContact O-N 3.41Å; I697-L701 VanDerWaalsContact O-N 3.09Å; Y698-L701 PolarHBondContact O-N 2.78Å; D699-L701 VanDerWaalsContact C-N 3.35Å; L701-D703 PolarHBondContact O-N 2.84Å; L701-I704 HydrophobicContact CD2-CD1 4.42Å; L701-I704 WeakPolarHBondContact O-CB 3.46Å; L701-I704 WeakPolarHBondContact O-CG2 3.16Å; L701-I704 PolarHBondContact O-N 3.2Å; L701-W714 HydrophobicContact CD2-CH2 4.19Å; L701-W714 HydrophobicContact CD2-CZ3 4.05Å; L701-V717 HydrophobicContact CD2-CG1 4.06Å; L701-V717 HydrophobicContact CD2-CG2 3.89Å; L701-V717 HydrophobicContact CG-CG1 4.45Å; L701-V717 HydrophobicContact CG-CG2 4.23Å
702F91Very high93.5Very high68 Ų6849.8 Ų49.830%0.29827%0.274SS..THydrogen-bonded Turntrans-66127.6-175.2-175.2-86.1000112.2T172 H686 Y698 D699 I704T172-F702 HydrophobicContact CG2-CE1 3.94Å; T172-F702 HydrophobicContact CG2-CZ 4.11Å; H686-F702 AromaticContact CD2-CD1 3.88Å; H686-F702 AromaticContact CD2-CD2 3.69Å; H686-F702 AromaticContact CD2-CE2 3.89Å; H686-F702 AromaticContact CD2-CG 3.68Å; H686-F702 AromaticContact CE1-CD1 3.41Å; H686-F702 VanDerWaalsContact CE1-CD1 3.41Å; H686-F702 WeakPolarHBondContact CE1-CD1 3.37Å; H686-F702 AromaticContact CE1-CE1 3.49Å; H686-F702 VanDerWaalsContact CE1-CE1 3.49Å; H686-F702 WeakPolarHBondContact CE1-CE1 3.43Å; H686-F702 AromaticContact CE1-CG 3.98Å; H686-F702 AromaticContact ND1-CE1 3.95Å; H686-F702 AromaticContact NE2-CD1 3.13Å; H686-F702 WeakPolarHBondContact NE2-CD1 3.3Å; H686-F702 AromaticContact NE2-CD2 3.76Å; H686-F702 AromaticContact NE2-CE1 3.59Å; H686-F702 AromaticContact NE2-CG 3.22Å; H686-F702 WeakPolarHBondContact NE2-CG 3.16Å; Y698-F702 PolarHBondContact O-N 3.11Å; Y698-F702 VanDerWaalsContact O-N 3.15Å; D699-F702 PolarHBondContact O-N 2.91Å; F702-I704 PolarHBondContact O-N 2.88Å; F702-I704 VanDerWaalsContact O-N 3.09Å
703D89.2Confident94.1Very high59 Ų5948.6 Ų48.632%0.31627%0.271SS..THydrogen-bonded Turntrans51.926.2-177.9-159.335000113.8R180 L701 E705 N706R180-D703 IonicContact CZ-OD2 3.31Å; R180-D703 IonicContact NH1-OD1 3.75Å; R180-D703 PolarHBondContact NH1-OD1 3.31Å; R180-D703 VanDerWaalsContact NH1-OD1 3.16Å; R180-D703 IonicContact NH1-OD2 3.44Å; R180-D703 PolarHBondContact NH1-OD2 2.86Å; R180-D703 IonicContact NH2-OD1 3.44Å; R180-D703 IonicContact NH2-OD2 3.55Å; R180-D703 PolarHBondContact NH2-OD2 2.82Å; L701-D703 PolarHBondContact O-N 2.84Å; D703-E705 PolarHBondContact O-N 2.95Å; D703-E705 VanDerWaalsContact O-N 3.17Å; D703-N706 PolarHBondContact O-N 3.38Å; D703-N706 PolarHBondContact OD1-ND2 2.98Å
704I93.2Very high94.3Very high8 Ų848.5 Ų48.54%0.04127%0.27CS..G310 helixtrans-60.7-30.6-170.4-168.1165.4000113.7L701 F702 N706 S707 A713 W714 V717L701-I704 HydrophobicContact CD2-CD1 4.42Å; L701-I704 WeakPolarHBondContact O-CB 3.46Å; L701-I704 WeakPolarHBondContact O-CG2 3.16Å; L701-I704 PolarHBondContact O-N 3.2Å; F702-I704 PolarHBondContact O-N 2.88Å; F702-I704 VanDerWaalsContact O-N 3.09Å; I704-N706 PolarHBondContact O-N 2.93Å; I704-S707 WeakPolarHBondContact O-CB 3.29Å; I704-S707 PolarHBondContact O-N 2.84Å; I704-S707 VanDerWaalsContact O-N 3.16Å; I704-A713 HydrophobicContact CD1-CB 4.31Å; I704-A713 HydrophobicContact CG1-CB 4.05Å; I704-W714 HydrophobicContact CD1-CD2 3.64Å; I704-W714 VanDerWaalsContact CD1-CE2 3.49Å; I704-W714 HydrophobicContact CD1-CE3 3.94Å; I704-W714 HydrophobicContact CD1-CG 4.17Å; I704-W714 HydrophobicContact CD1-CH2 4.03Å; I704-W714 HydrophobicContact CD1-CZ2 3.7Å; I704-W714 HydrophobicContact CD1-CZ3 4.14Å; I704-W714 HydrophobicContact CG1-CZ2 4.29Å; I704-W714 HydrophobicContact CG2-CZ2 4.26Å; I704-V717 HydrophobicContact CD1-CG2 3.71Å
705E90.9Very high94.4Very high130 Ų13056 Ų5661%0.60730%0.298SS*.G310 helixtrans-64.1-23.9178.6-62.1-177.7165.400112.8H607 D703H607-E705 IonicContact CE1-OE1 2.96Å; H607-E705 PolarHBondContact CE1-OE1 3.21Å; H607-E705 IonicContact ND1-OE1 3.87Å; H607-E705 PolarHBondContact ND1-OE1 3.45Å; D703-E705 PolarHBondContact O-N 2.95Å; D703-E705 VanDerWaalsContact O-N 3.17Å
706N90.3Very high94.4Very high92 Ų9258.5 Ų58.549%0.49231%0.31SS..G310 helixtrans-100.213.6179.9-62.8-67.7000112.6R180 D703 I704R180-N706 PolarHBondContact NH1-ND2 3.16Å; D703-N706 PolarHBondContact O-N 3.38Å; D703-N706 PolarHBondContact OD1-ND2 2.98Å; I704-N706 PolarHBondContact O-N 2.93Å
707S91.1Very high94.5Very high43 Ų4358.2 Ų58.230%0.30131%0.307SS..  trans-65.4132.8176.5-1790000111.8I704 D709I704-S707 WeakPolarHBondContact O-CB 3.29Å; I704-S707 PolarHBondContact O-N 2.84Å; I704-S707 VanDerWaalsContact O-N 3.16Å; S707-D709 PolarHBondContact O-N 2.94Å; S707-D709 PolarHBondContact OG-N 3.49Å; S707-D709 PolarHBondContact OG-O 3Å
708A92.8Very high94.6Very high112 Ų11262.1 Ų62.193%0.92632%0.323SS*.SBendtrans-67.1-22.5173.700000113.5
709D96Very high94.7Very high70 Ų7064.5 Ų64.537%0.37433%0.332SS..  trans-132.889176-177.7-17.6000108.7S707 D711 K712 A713S707-D709 PolarHBondContact O-N 2.94Å; S707-D709 PolarHBondContact OG-N 3.49Å; S707-D709 PolarHBondContact OG-O 3Å; D709-D711 VanDerWaalsContact C-N 3.35Å; D709-D711 PolarHBondContact O-N 3.11Å; D709-D711 PolarHBondContact OD1-N 3.32Å; D709-K712 HydrophobicContact CB-CB 4.05Å; D709-K712 PolarHBondContact O-N 3.43Å; D709-K712 WeakPolarHBondContact OD1-CB 3.47Å; D709-K712 PolarHBondContact OD1-N 3.23Å; D709-K712 VanDerWaalsContact OD2-CB 3.3Å; D709-K712 WeakPolarHBondContact OD2-CB 3.29Å; D709-A713 PolarHBondContact O-N 3.16Å; D709-A713 VanDerWaalsContact O-N 3.07Å
710P95.7Very high95Very high53 Ų5363.5 Ų63.534%0.34433%0.326SS..Hα-helixtrans-59.8-40.2-179.1-28.137.3000113.4Y614 K712 A713 W714Y614-P710 VanDerWaalsContact OH-CB 3.3Å; Y614-P710 WeakPolarHBondContact OH-CB 3.44Å; P710-K712 PolarHBondContact O-N 3Å; P710-A713 PolarHBondContact O-N 3.3Å; P710-W714 VanDerWaalsContact O-CD1 3.23Å; P710-W714 PolarHBondContact O-N 2.86Å
711D96.3Very high95.2Very high99 Ų9962.7 Ų62.753%0.52932%0.32SS..Hα-helixtrans-61.4-42.9179.2-79.2-59.7000111.9Y614 D709 R715Y614-D711 WeakPolarHBondContact CE1-OD1 3.41Å; D709-D711 VanDerWaalsContact C-N 3.35Å; D709-D711 PolarHBondContact O-N 3.11Å; D709-D711 PolarHBondContact OD1-N 3.32Å; D711-R715 WeakPolarHBondContact O-CB 3.29Å; D711-R715 VanDerWaalsContact O-CG 3.27Å; D711-R715 WeakPolarHBondContact O-CG 3.47Å; D711-R715 PolarHBondContact O-N 3.26Å; D711-R715 VanDerWaalsContact O-N 3.13Å; D711-R715 PolarHBondContact O-NE 3.46Å
712K96.6Very high95.4Very high136 Ų13666 Ų6659%0.59134%0.343SS*.Hα-helixtrans-67.5-41.5175.2-175179.8177.2-1760112D709 P710 R715 E716D709-K712 HydrophobicContact CB-CB 4.05Å; D709-K712 PolarHBondContact O-N 3.43Å; D709-K712 WeakPolarHBondContact OD1-CB 3.47Å; D709-K712 PolarHBondContact OD1-N 3.23Å; D709-K712 VanDerWaalsContact OD2-CB 3.3Å; D709-K712 WeakPolarHBondContact OD2-CB 3.29Å; P710-K712 PolarHBondContact O-N 3Å; K712-R715 PolarHBondContact O-N 3.13Å; K712-E716 PolarHBondContact O-N 2.73Å; K712-E716 VanDerWaalsContact O-N 3.08Å
713A96.7Very high95.7Very high19 Ų1964.2 Ų64.216%0.15734%0.336CS..Hα-helixtrans-62.5-48179.800000111.9I704 D709 P710 R715 E716 V717I704-A713 HydrophobicContact CD1-CB 4.31Å; I704-A713 HydrophobicContact CG1-CB 4.05Å; D709-A713 PolarHBondContact O-N 3.16Å; D709-A713 VanDerWaalsContact O-N 3.07Å; P710-A713 PolarHBondContact O-N 3.3Å; A713-R715 VanDerWaalsContact C-N 3.34Å; A713-R715 PolarHBondContact O-N 2.62Å; A713-E716 WeakPolarHBondContact O-CB 3.42Å; A713-E716 PolarHBondContact O-N 3.17Å; A713-E716 VanDerWaalsContact O-N 3.08Å; A713-V717 PolarHBondContact O-N 2.77Å; A713-V717 VanDerWaalsContact O-N 3.1Å
714W97.6Very high96.2Very high4 Ų461.5 Ų61.52%0.01532%0.322CS..Hα-helixtrans-69.5-29.1178.4-75.2106.1000113.4H607 L610 M611 Y614 V616 L701 I704 P710 E716 V717 K718H607-W714 HydrophobicContact CB-CH2 3.72Å; H607-W714 HydrophobicContact CB-CZ2 3.98Å; L610-W714 HydrophobicContact CB-CH2 4.09Å; L610-W714 HydrophobicContact CB-CZ2 3.35Å; L610-W714 HydrophobicContact CD1-CZ2 3.8Å; L610-W714 HydrophobicContact CG-CZ2 4.21Å; M611-W714 HydrophobicContact CG-CH2 3.94Å; M611-W714 HydrophobicContact CG-CZ3 3.79Å; Y614-W714 HydrophobicContact CD1-CB 3.94Å; Y614-W714 HydrophobicContact CD1-CG 4.2Å; Y614-W714 HydrophobicContact CD2-CB 4Å; Y614-W714 AromaticContact CD2-CD1 3.17Å; Y614-W714 AromaticContact CD2-CD2 3.91Å; Y614-W714 HydrophobicContact CD2-CD2 3.91Å; Y614-W714 AromaticContact CD2-CE2 3.98Å; Y614-W714 AromaticContact CD2-CG 3.42Å; Y614-W714 HydrophobicContact CD2-CG 3.42Å; Y614-W714 VanDerWaalsContact CD2-CG 3.42Å; Y614-W714 AromaticContact CD2-NE1 3.53Å; Y614-W714 AromaticContact CE2-CD1 3.25Å; Y614-W714 AromaticContact CE2-CG 3.98Å; Y614-W714 HydrophobicContact CE2-CG 3.98Å; Y614-W714 AromaticContact CE2-NE1 3.51Å; Y614-W714 HydrophobicContact CG-CB 3.6Å; Y614-W714 AromaticContact CG-CD1 3.68Å; Y614-W714 HydrophobicContact CG-CD2 4.31Å; Y614-W714 AromaticContact CG-CG 3.57Å; Y614-W714 HydrophobicContact CG-CG 3.57Å; Y614-W714 AromaticContact CZ-CD1 3.77Å; V616-W714 HydrophobicContact CG2-CD2 4.49Å; V616-W714 HydrophobicContact CG2-CE3 3.6Å; V616-W714 HydrophobicContact CG2-CZ3 4.12Å; L701-W714 HydrophobicContact CD2-CH2 4.19Å; L701-W714 HydrophobicContact CD2-CZ3 4.05Å; I704-W714 HydrophobicContact CD1-CD2 3.64Å; I704-W714 VanDerWaalsContact CD1-CE2 3.49Å; I704-W714 HydrophobicContact CD1-CE3 3.94Å; I704-W714 HydrophobicContact CD1-CG 4.17Å; I704-W714 HydrophobicContact CD1-CH2 4.03Å; I704-W714 HydrophobicContact CD1-CZ2 3.7Å; I704-W714 HydrophobicContact CD1-CZ3 4.14Å; I704-W714 HydrophobicContact CG1-CZ2 4.29Å; I704-W714 HydrophobicContact CG2-CZ2 4.26Å; P710-W714 VanDerWaalsContact O-CD1 3.23Å; P710-W714 PolarHBondContact O-N 2.86Å; W714-E716 VanDerWaalsContact C-N 3.32Å; W714-V717 HydrophobicContact CE3-CB 4.17Å; W714-V717 HydrophobicContact CE3-CG1 4.29Å; W714-V717 HydrophobicContact CE3-CG2 4.12Å; W714-V717 HydrophobicContact CZ3-CG1 4.31Å; W714-V717 HydrophobicContact CZ3-CG2 4.43Å; W714-V717 PolarHBondContact O-N 3.35Å; W714-K718 WeakPolarHBondContact O-CG 3.42Å; W714-K718 PolarHBondContact O-N 3.05Å; W714-K718 VanDerWaalsContact O-N 3.08Å
715R97.8Very high96.4Very high159 Ų15961.6 Ų61.660%0.632%0.324SS*.Hα-helixtrans-63-38168.1-80.5-175.2-65.5174.4-0.4112.3D711 K712 A713 K718 R719D711-R715 WeakPolarHBondContact O-CB 3.29Å; D711-R715 VanDerWaalsContact O-CG 3.27Å; D711-R715 WeakPolarHBondContact O-CG 3.47Å; D711-R715 PolarHBondContact O-N 3.26Å; D711-R715 VanDerWaalsContact O-N 3.13Å; D711-R715 PolarHBondContact O-NE 3.46Å; K712-R715 PolarHBondContact O-N 3.13Å; A713-R715 VanDerWaalsContact C-N 3.34Å; A713-R715 PolarHBondContact O-N 2.62Å; R715-K718 PolarHBondContact O-N 2.9Å; R715-R719 WeakPolarHBondContact O-CB 3.46Å; R715-R719 PolarHBondContact O-N 3.1Å
716E97.1Very high96.8Very high53 Ų5362.1 Ų62.125%0.24833%0.325CS..Hα-helixtrans-66.2-41.5175.5-175.859.5-163.900111.5P671 A700 K712 A713 W714 K718 R719 Q720P671-E716 WeakPolarHBondContact CG-OE1 3.42Å; A700-E716 HydrophobicContact CB-CG 4.06Å; K712-E716 PolarHBondContact O-N 2.73Å; K712-E716 VanDerWaalsContact O-N 3.08Å; A713-E716 WeakPolarHBondContact O-CB 3.42Å; A713-E716 PolarHBondContact O-N 3.17Å; A713-E716 VanDerWaalsContact O-N 3.08Å; W714-E716 VanDerWaalsContact C-N 3.32Å; E716-K718 PolarHBondContact O-N 2.93Å; E716-R719 WeakPolarHBondContact O-CB 3.19Å; E716-R719 PolarHBondContact O-N 2.89Å; E716-R719 IonicContact OE1-CZ 2.68Å; E716-R719 IonicContact OE1-NE 3.57Å; E716-R719 PolarHBondContact OE1-NE 2.99Å; E716-R719 IonicContact OE1-NH2 2.7Å; E716-R719 PolarHBondContact OE1-NH2 3.16Å; E716-R719 IonicContact OE2-CZ 3.08Å; E716-R719 IonicContact OE2-NE 3.69Å; E716-R719 PolarHBondContact OE2-NE 3.42Å; E716-R719 IonicContact OE2-NH2 2.84Å; E716-R719 PolarHBondContact OE2-NH2 3.42Å; E716-Q720 HydrophobicContact CG-CG 4.38Å; E716-Q720 VanDerWaalsContact O-CG 3.32Å; E716-Q720 WeakPolarHBondContact O-CG 3.39Å; E716-Q720 PolarHBondContact O-N 3.13Å; E716-Q720 PolarHBondContact OE1-NE2 3.28Å
717V97.9Very high97.2Very high1 Ų158 Ų581%0.00630%0.303CS..Hα-helixtrans-55.7-49.9172.9175.80000110.9V616 A700 L701 I704 A713 W714 R719 Q720 I721V616-V717 HydrophobicContact CG1-CG1 3.99Å; A700-V717 HydrophobicContact CB-CG2 3.81Å; L701-V717 HydrophobicContact CD2-CG1 4.06Å; L701-V717 HydrophobicContact CD2-CG2 3.89Å; L701-V717 HydrophobicContact CG-CG1 4.45Å; L701-V717 HydrophobicContact CG-CG2 4.23Å; I704-V717 HydrophobicContact CD1-CG2 3.71Å; A713-V717 PolarHBondContact O-N 2.77Å; A713-V717 VanDerWaalsContact O-N 3.1Å; W714-V717 HydrophobicContact CE3-CB 4.17Å; W714-V717 HydrophobicContact CE3-CG1 4.29Å; W714-V717 HydrophobicContact CE3-CG2 4.12Å; W714-V717 HydrophobicContact CZ3-CG1 4.31Å; W714-V717 HydrophobicContact CZ3-CG2 4.43Å; W714-V717 PolarHBondContact O-N 3.35Å; V717-R719 VanDerWaalsContact C-N 3.32Å; V717-R719 PolarHBondContact O-N 3.14Å; V717-Q720 PolarHBondContact O-N 3.1Å; V717-I721 HydrophobicContact CG1-CD1 3.87Å; V717-I721 WeakPolarHBondContact O-CG1 3.26Å; V717-I721 PolarHBondContact O-N 2.68Å
718K98.4Very high97.6Very high83 Ų8356 Ų5636%0.36129%0.289SS..Hα-helixtrans-59.7-42177.7-69176.167.9154.80112.1Y614 N615 V616 W714 R715 E716 I721 S722Y614-K718 PolarHBondContact O-NZ 3.49Å; N615-K718 WeakPolarHBondContact O-CE 3.33Å; N615-K718 PolarHBondContact O-NZ 2.9Å; V616-K718 HydrophobicContact CB-CG 4.32Å; V616-K718 HydrophobicContact CG1-CG 4.3Å; V616-K718 HydrophobicContact CG2-CD 4.03Å; V616-K718 HydrophobicContact CG2-CG 3.76Å; W714-K718 WeakPolarHBondContact O-CG 3.42Å; W714-K718 PolarHBondContact O-N 3.05Å; W714-K718 VanDerWaalsContact O-N 3.08Å; R715-K718 PolarHBondContact O-N 2.9Å; E716-K718 PolarHBondContact O-N 2.93Å; K718-I721 PolarHBondContact O-N 3.27Å; K718-S722 PolarHBondContact O-N 2.57Å
719R98.3Very high97.9Very high111 Ų11154.2 Ų54.242%0.41926%0.261SS..Hα-helixtrans-61-46.2177.7-169.1-178.876.793.1-6.1111.2R715 E716 V717 S722 I723R715-R719 WeakPolarHBondContact O-CB 3.46Å; R715-R719 PolarHBondContact O-N 3.1Å; E716-R719 WeakPolarHBondContact O-CB 3.19Å; E716-R719 PolarHBondContact O-N 2.89Å; E716-R719 IonicContact OE1-CZ 2.68Å; E716-R719 IonicContact OE1-NE 3.57Å; E716-R719 PolarHBondContact OE1-NE 2.99Å; E716-R719 IonicContact OE1-NH2 2.7Å; E716-R719 PolarHBondContact OE1-NH2 3.16Å; E716-R719 IonicContact OE2-CZ 3.08Å; E716-R719 IonicContact OE2-NE 3.69Å; E716-R719 PolarHBondContact OE2-NE 3.42Å; E716-R719 IonicContact OE2-NH2 2.84Å; E716-R719 PolarHBondContact OE2-NH2 3.42Å; V717-R719 VanDerWaalsContact C-N 3.32Å; V717-R719 PolarHBondContact O-N 3.14Å; R719-S722 WeakPolarHBondContact O-CB 3.48Å; R719-S722 PolarHBondContact O-N 2.93Å; R719-I723 HydrophobicContact CG-CD1 4.14Å; R719-I723 VanDerWaalsContact NH1-CD1 3.34Å; R719-I723 WeakPolarHBondContact O-CG1 3.15Å; R719-I723 PolarHBondContact O-N 3.34Å
720Q98.3Very high98Very high7 Ų752.4 Ų52.43%0.03326%0.256CS..Hα-helixtrans-69-37-178.5-66.8-63.4-26.900112.6P671 G696 I697 A700 E716 V717 S722 I723 A724P671-Q720 VanDerWaalsContact CG-NE2 3.32Å; G696-Q720 WeakPolarHBondContact O-CG 3.39Å; I697-Q720 HydrophobicContact CG1-CB 3.9Å; A700-Q720 HydrophobicContact CB-CG 4.46Å; E716-Q720 HydrophobicContact CG-CG 4.38Å; E716-Q720 VanDerWaalsContact O-CG 3.32Å; E716-Q720 WeakPolarHBondContact O-CG 3.39Å; E716-Q720 PolarHBondContact O-N 3.13Å; E716-Q720 PolarHBondContact OE1-NE2 3.28Å; V717-Q720 PolarHBondContact O-N 3.1Å; Q720-S722 VanDerWaalsContact C-N 3.31Å; Q720-S722 PolarHBondContact O-N 3.13Å; Q720-I723 PolarHBondContact O-N 3.14Å; Q720-A724 WeakPolarHBondContact O-CB 3.25Å; Q720-A724 PolarHBondContact O-N 3.48Å
721I98.7Very high98.1Very high3 Ų349.9 Ų49.92%0.01524%0.24CC..Hα-helixtrans-60.2-44170.7-66.4165000110.3V616 F618 L621 I697 V717 K718 A724 A725V616-I721 HydrophobicContact CG1-CD1 3.67Å; F618-I721 HydrophobicContact CD1-CD1 4.28Å; F618-I721 HydrophobicContact CD1-CG1 4.3Å; F618-I721 HydrophobicContact CD2-CD1 4.05Å; F618-I721 HydrophobicContact CE1-CD1 3.93Å; F618-I721 HydrophobicContact CE1-CG1 3.9Å; F618-I721 HydrophobicContact CE2-CD1 3.68Å; F618-I721 HydrophobicContact CG-CD1 4.34Å; F618-I721 HydrophobicContact CZ-CD1 3.62Å; F618-I721 HydrophobicContact CZ-CG1 4.03Å; L621-I721 HydrophobicContact CB-CG2 4.42Å; I697-I721 HydrophobicContact CD1-CB 4.47Å; I697-I721 HydrophobicContact CD1-CG1 3.91Å; I697-I721 HydrophobicContact CG1-CG1 4.17Å; I697-I721 HydrophobicContact CG2-CG1 4.21Å; V717-I721 HydrophobicContact CG1-CD1 3.87Å; V717-I721 WeakPolarHBondContact O-CG1 3.26Å; V717-I721 PolarHBondContact O-N 2.68Å; K718-I721 PolarHBondContact O-N 3.27Å; I721-A724 PolarHBondContact O-N 3.21Å; I721-A725 WeakPolarHBondContact O-CB 3.47Å; I721-A725 PolarHBondContact O-N 2.91Å
722S98.7Very high98.2Very high75 Ų7545.2 Ų45.252%0.52421%0.214SC..Hα-helixtrans-62.5-42.5178-170.80000112.6K718 R719 Q720 A725 F726K718-S722 PolarHBondContact O-N 2.57Å; R719-S722 WeakPolarHBondContact O-CB 3.48Å; R719-S722 PolarHBondContact O-N 2.93Å; Q720-S722 VanDerWaalsContact C-N 3.31Å; Q720-S722 PolarHBondContact O-N 3.13Å; S722-A725 PolarHBondContact O-N 3.29Å; S722-F726 WeakPolarHBondContact O-CB 3.19Å; S722-F726 PolarHBondContact O-N 2.59Å
723I98.7Very high98.3Very high31 Ų3142.9 Ų42.916%0.15921%0.207CC..Hα-helixtrans-64.8-45.2177.6-69.2165.7000110.5V679 R719 Q720 F726 T727V679-I723 HydrophobicContact CG1-CG2 4.3Å; V679-I723 HydrophobicContact CG2-CG2 4.35Å; R719-I723 HydrophobicContact CG-CD1 4.14Å; R719-I723 VanDerWaalsContact NH1-CD1 3.34Å; R719-I723 WeakPolarHBondContact O-CG1 3.15Å; R719-I723 PolarHBondContact O-N 3.34Å; Q720-I723 PolarHBondContact O-N 3.14Å; I723-F726 PolarHBondContact O-N 3.21Å; I723-T727 WeakPolarHBondContact O-CB 3.28Å; I723-T727 PolarHBondContact O-N 3.41Å; I723-T727 PolarHBondContact O-OG1 2.88Å
724A98.8Very high98.3Very high2 Ų244.3 Ų44.32%0.01721%0.213CC..Hα-helixtrans-60.3-46.7176.600000111.8L621 V679 F694 I697 Q720 I721 T727 V728L621-A724 HydrophobicContact CD1-CB 3.95Å; V679-A724 HydrophobicContact CG1-CB 4.3Å; F694-A724 HydrophobicContact CD1-CB 3.73Å; F694-A724 HydrophobicContact CE1-CB 3.9Å; I697-A724 HydrophobicContact CD1-CB 3.94Å; Q720-A724 WeakPolarHBondContact O-CB 3.25Å; Q720-A724 PolarHBondContact O-N 3.48Å; I721-A724 PolarHBondContact O-N 3.21Å; A724-T727 PolarHBondContact O-N 3.18Å; A724-V728 VanDerWaalsContact O-CG2 3.31Å; A724-V728 WeakPolarHBondContact O-CG2 3.26Å; A724-V728 PolarHBondContact O-N 3.06Å
725A98.8Very high98.3Very high10 Ų1044.1 Ų44.18%0.08321%0.213CC..Hα-helixtrans-61.2-48.2177.500000112L621 A624 I721 S722 T727 H729L621-A725 HydrophobicContact CB-CB 4.39Å; A624-A725 HydrophobicContact CB-CB 4.39Å; A624-A725 WeakPolarHBondContact CB-O 3.2Å; I721-A725 WeakPolarHBondContact O-CB 3.47Å; I721-A725 PolarHBondContact O-N 2.91Å; S722-A725 PolarHBondContact O-N 3.29Å; A725-T727 PolarHBondContact O-N 3.03Å; A725-H729 WeakPolarHBondContact O-CB 3.5Å; A725-H729 PolarHBondContact O-N 3.31Å
726F98.8Very high98.1Very high142 Ų14238.9 Ų38.962%0.62320%0.199SC*.Hα-helixtrans-57.7-48.4176164.5-102.4000111.5S722 I723 H729 A730S722-F726 WeakPolarHBondContact O-CB 3.19Å; S722-F726 PolarHBondContact O-N 2.59Å; I723-F726 PolarHBondContact O-N 3.21Å; F726-H729 PolarHBondContact O-N 3.22Å; F726-A730 HydrophobicContact CE2-CB 4.49Å; F726-A730 HydrophobicContact CZ-CB 4.39Å; F726-A730 WeakPolarHBondContact O-CB 3.28Å; F726-A730 PolarHBondContact O-N 3.41Å
727T98.8Very high97.6Very high6 Ų640.2 Ų40.24%0.03721%0.212CC..Hα-helixtrans-65-44.1-175.7-53.50000111.4A663 F664 V679 I723 A724 A725 H729 A730 A731A663-T727 WeakPolarHBondContact O-CG2 3.47Å; F664-T727 HydrophobicContact CD1-CG2 4.27Å; V679-T727 HydrophobicContact CB-CG2 3.95Å; V679-T727 HydrophobicContact CG1-CG2 4.36Å; V679-T727 HydrophobicContact CG2-CG2 3.94Å; I723-T727 WeakPolarHBondContact O-CB 3.28Å; I723-T727 PolarHBondContact O-N 3.41Å; I723-T727 PolarHBondContact O-OG1 2.88Å; A724-T727 PolarHBondContact O-N 3.18Å; A725-T727 PolarHBondContact O-N 3.03Å; T727-H729 VanDerWaalsContact C-N 3.32Å; T727-H729 PolarHBondContact O-N 2.79Å; T727-A730 PolarHBondContact O-N 2.79Å; T727-A731 WeakPolarHBondContact O-CB 3.39Å; T727-A731 PolarHBondContact O-N 3.26Å
728V98.8Very high96.5Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-63.1-40.6175.6172.70000111.1L593 L621 A624 V625 F628 I680 F694 A724 A731 A732L593-V728 HydrophobicContact CD1-CG1 4.13Å; L593-V728 HydrophobicContact CD2-CG2 4.02Å; L621-V728 HydrophobicContact CD1-CG2 4.42Å; A624-V728 HydrophobicContact CB-CB 4.01Å; A624-V728 HydrophobicContact CB-CG1 3.97Å; V625-V728 HydrophobicContact CG2-CG1 4.12Å; F628-V728 HydrophobicContact CB-CG1 3.94Å; F628-V728 HydrophobicContact CD2-CG1 4.5Å; F628-V728 HydrophobicContact CG-CG1 4.42Å; I680-V728 HydrophobicContact CD1-CG2 3.77Å; F694-V728 HydrophobicContact CE1-CG2 4.25Å; F694-V728 HydrophobicContact CZ-CG2 4.46Å; A724-V728 VanDerWaalsContact O-CG2 3.31Å; A724-V728 WeakPolarHBondContact O-CG2 3.26Å; A724-V728 PolarHBondContact O-N 3.06Å; V728-A731 PolarHBondContact O-N 2.93Å; V728-A732 PolarHBondContact O-N 3.36Å
729H98.5Very high94.4Very high74 Ų7448.7 Ų48.734%0.34329%0.29SS..Hα-helixtrans-66-45.2176.8-18059.3000112.2A624 A725 F726 T727 A731 A732 M733A624-H729 HydrophobicContact CB-CB 4.04Å; A725-H729 WeakPolarHBondContact O-CB 3.5Å; A725-H729 PolarHBondContact O-N 3.31Å; F726-H729 PolarHBondContact O-N 3.22Å; T727-H729 VanDerWaalsContact C-N 3.32Å; T727-H729 PolarHBondContact O-N 2.79Å; H729-A731 VanDerWaalsContact C-N 3.31Å; H729-A731 PolarHBondContact O-N 3.33Å; H729-A732 VanDerWaalsContact O-CB 3.29Å; H729-A732 WeakPolarHBondContact O-CB 3.31Å; H729-A732 PolarHBondContact O-N 3.28Å; H729-A732 VanDerWaalsContact O-N 3.12Å; H729-M733 WeakPolarHBondContact O-CG 3.5Å; H729-M733 PolarHBondContact O-N 2.83Å; H729-M733 VanDerWaalsContact O-N 3.15Å
730A98.5Very high94.2Very high33 Ų3345.6 Ų45.627%0.27328%0.284SS..Hα-helixtrans-60.2-42.317600000111.2F726 T727 A732 M733 T734F726-A730 HydrophobicContact CE2-CB 4.49Å; F726-A730 HydrophobicContact CZ-CB 4.39Å; F726-A730 WeakPolarHBondContact O-CB 3.28Å; F726-A730 PolarHBondContact O-N 3.41Å; T727-A730 PolarHBondContact O-N 2.79Å; A730-A732 VanDerWaalsContact C-N 3.32Å; A730-A732 PolarHBondContact O-N 3Å; A730-M733 WeakPolarHBondContact O-CB 3.46Å; A730-M733 PolarHBondContact O-N 3.38Å; A730-M733 VanDerWaalsContact O-N 3.12Å; A730-T734 PolarHBondContact O-N 3.41Å
731A98.6Very high94Very high0 Ų047.6 Ų47.60%030%0.297CS..Hα-helixtrans-59.8-40.4173.500000112.4F628 A663 F664 T727 V728 H729 M733 T734F628-A731 HydrophobicContact CD2-CB 4.16Å; F628-A731 HydrophobicContact CE2-CB 3.93Å; A663-A731 HydrophobicContact CB-CB 3.72Å; F664-A731 HydrophobicContact CD1-CB 3.92Å; F664-A731 HydrophobicContact CE1-CB 3.39Å; F664-A731 HydrophobicContact CE2-CB 4.41Å; F664-A731 HydrophobicContact CZ-CB 3.68Å; T727-A731 WeakPolarHBondContact O-CB 3.39Å; T727-A731 PolarHBondContact O-N 3.26Å; V728-A731 PolarHBondContact O-N 2.93Å; H729-A731 VanDerWaalsContact C-N 3.31Å; H729-A731 PolarHBondContact O-N 3.33Å; A731-M733 VanDerWaalsContact C-N 3.28Å; A731-M733 PolarHBondContact O-N 3.39Å; A731-T734 PolarHBondContact O-N 3.44Å; A731-T734 VanDerWaalsContact O-N 3.1Å; A731-T734 PolarHBondContact O-OG1 2.86Å
732A98.4Very high93.8Very high0 Ų050.1 Ų50.10%031%0.313CS..Hα-helixtrans-59.1-39.4174.500000112.2F628 A631 V728 H729 A730 T734 L735F628-A732 HydrophobicContact CB-CB 3.98Å; F628-A732 HydrophobicContact CD2-CB 4.02Å; F628-A732 HydrophobicContact CG-CB 4.41Å; A631-A732 HydrophobicContact CB-CB 4.1Å; A631-A732 WeakPolarHBondContact CB-O 3.39Å; V728-A732 PolarHBondContact O-N 3.36Å; H729-A732 VanDerWaalsContact O-CB 3.29Å; H729-A732 WeakPolarHBondContact O-CB 3.31Å; H729-A732 PolarHBondContact O-N 3.28Å; H729-A732 VanDerWaalsContact O-N 3.12Å; A730-A732 VanDerWaalsContact C-N 3.32Å; A730-A732 PolarHBondContact O-N 3Å; A732-T734 PolarHBondContact O-N 2.87Å; A732-L735 PolarHBondContact O-N 3.2Å; A732-L735 VanDerWaalsContact O-N 3.09Å
733M97.8Very high93.5Very high87 Ų8748.6 Ų48.643%0.42930%0.3SS..Hα-helixtrans-67.4-24.1178.3-60.3-60.690.300112.8H729 A730 A731 L735 T736H729-M733 WeakPolarHBondContact O-CG 3.5Å; H729-M733 PolarHBondContact O-N 2.83Å; H729-M733 VanDerWaalsContact O-N 3.15Å; A730-M733 WeakPolarHBondContact O-CB 3.46Å; A730-M733 PolarHBondContact O-N 3.38Å; A730-M733 VanDerWaalsContact O-N 3.12Å; A731-M733 VanDerWaalsContact C-N 3.28Å; A731-M733 PolarHBondContact O-N 3.39Å; M733-L735 PolarHBondContact O-N 3.35Å; M733-T736 HydrophobicContact CE-CG2 3.98Å; M733-T736 PolarHBondContact O-N 3.46Å; M733-T736 PolarHBondContact O-OG1 2.84Å; M733-T736 HydrophobicContact SD-CG2 4.5Å
734T97.3Very high93.1Very high49 Ų4949.8 Ų49.830%0.30131%0.309SS..Hα-helixtrans-68.8-18.9173.571.90000113.1Q656 A663 A730 A731 A732Q656-T734 PolarHBondContact NE2-O 3.11Å; A663-T734 HydrophobicContact CB-CG2 3.78Å; A730-T734 PolarHBondContact O-N 3.41Å; A731-T734 PolarHBondContact O-N 3.44Å; A731-T734 VanDerWaalsContact O-N 3.1Å; A731-T734 PolarHBondContact O-OG1 2.86Å; A732-T734 PolarHBondContact O-N 2.87Å
735L97.4Very high92.8Very high0 Ų052.9 Ų52.90%033%0.329CS..THydrogen-bonded Turntrans-95.6-4178.9-61.8178.6000113.3A586 F628 A631 A632 F635 R638 L660 A732 M733A586-L735 HydrophobicContact CB-CD1 3.96Å; F628-L735 HydrophobicContact CE2-CD1 4.24Å; F628-L735 HydrophobicContact CZ-CD1 4.16Å; A631-L735 HydrophobicContact CB-CB 4.26Å; A632-L735 HydrophobicContact CB-CD1 4.11Å; F635-L735 HydrophobicContact CB-CB 4.2Å; F635-L735 HydrophobicContact CD2-CD2 4.19Å; F635-L735 HydrophobicContact CG-CB 4.5Å; F635-L735 HydrophobicContact CG-CD2 4.16Å; R638-L735 PolarHBondContact NH2-O 2.79Å; L660-L735 HydrophobicContact CD1-CD1 3.91Å; L660-L735 HydrophobicContact CD1-CD2 4.05Å; L660-L735 HydrophobicContact CD1-CG 3.94Å; L660-L735 HydrophobicContact CD2-CD1 4.33Å; L660-L735 HydrophobicContact CD2-CD2 4.3Å; A732-L735 PolarHBondContact O-N 3.2Å; A732-L735 VanDerWaalsContact O-N 3.09Å; M733-L735 PolarHBondContact O-N 3.35Å
736T93.4Very high92.3Very high50 Ų5056 Ų5631%0.30735%0.346SS..SBendtrans-78.7161.2173.860.20000110.8Q656 M733Q656-T736 PolarHBondContact NE2-O 3.13Å; M733-T736 HydrophobicContact CE-CG2 3.98Å; M733-T736 PolarHBondContact O-N 3.46Å; M733-T736 PolarHBondContact O-OG1 2.84Å; M733-T736 HydrophobicContact SD-CG2 4.5Å
737P87.2Confident91.8Very high81 Ų8149.4 Ų49.453%0.52633%0.325SS..PPolyproline II helixtrans-52.6134.6173.4-26.635.9000111.4A739P737-A739 PolarHBondContact O-N 3.25Å
738P74.6Confident91.3Very high86 Ų8653 Ų5356%0.55835%0.349SS*.PPolyproline II helixtrans-58.1135.8172.7-19.630.7000110.1I652I652-P738 HydrophobicContact CG2-CG 4.04Å
739A54.6Low90.6Very high176 Ų17657.8 Ų57.8100%1.45538%0.381SS*.  trans-68.60178.700000112.9P737P737-A739 PolarHBondContact O-N 3.25Å

Retrieved 739 of 739 residues in 246.4 ms (Link to these results)

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