A0A087YAG1_POEFO Loading...

Ubiquitin-like modifier-activating enzyme 5

AlphaFold DB , UniProt , Accession A0A087YAG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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
1A42.5Very low69.8Low157 Ų157113.8 Ų113.8100%1.29869%0.693SS**  0105.6000000107.3S3A1-S3 PolarHBondContact O-N 3.03Å
2G48.8Very low71.5Confident77 Ų77112.3 Ų112.379%0.79468%0.677SS**  trans-71.5124.5-179.200000109.7M4G2-M4 PolarHBondContact O-N 3.38Å
3S54.8Low72.6Confident120 Ų120112.9 Ų112.984%0.83966%0.66SS**  trans-61.9102172.3179.60000108.7A1 A5A1-S3 PolarHBondContact O-N 3.03Å; S3-A5 PolarHBondContact O-N 3.06Å
4M59.8Low73.8Confident177 Ų177110.4 Ų110.487%0.87265%0.646SS**  trans-67.5114.7168.5-73.4-178.293.400107.2G2 T6G2-M4 PolarHBondContact O-N 3.38Å; M4-T6 PolarHBondContact O-N 3.45Å
5A67.1Low74.7Confident52 Ų52112.5 Ų112.543%0.4364%0.639SS.*  trans-53134172.600000109.1S3 E9 L10S3-A5 PolarHBondContact O-N 3.06Å; A5-E9 WeakPolarHBondContact CA-OE2 3.46Å; A5-L10 HydrophobicContact CB-CD2 4.43Å; A5-L10 HydrophobicContact CB-CG 4.28Å
6T81.8Confident75.6Confident72 Ų72110.8 Ų110.844%0.44262%0.624SS.*  trans-67.4153-179.958.30000110M4 E8 E9 L10M4-T6 PolarHBondContact O-N 3.45Å; T6-E8 PolarHBondContact O-N 3.15Å; T6-E8 VanDerWaalsContact O-N 3.1Å; T6-E9 PolarHBondContact N-OE2 3.11Å; T6-E9 PolarHBondContact O-N 3.16Å; T6-E9 VanDerWaalsContact O-N 3.07Å; T6-E9 VanDerWaalsContact OG1-CD 3.23Å; T6-E9 VanDerWaalsContact OG1-CG 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.28Å; T6-E9 PolarHBondContact OG1-OE2 2.82Å; T6-L10 PolarHBondContact O-N 3.09Å; T6-L10 VanDerWaalsContact O-N 3.14Å
7V81.2Confident76.3Confident102 Ų102109.1 Ų109.162%0.61861%0.612SS**Hα-helixtrans-56.9-28.8179.1175.40000111.7K11V7-K11 HydrophobicContact CG1-CD 4.32Å; V7-K11 VanDerWaalsContact O-CG 3.3Å; V7-K11 WeakPolarHBondContact O-CG 3.49Å; V7-K11 PolarHBondContact O-N 2.86Å; V7-K11 VanDerWaalsContact O-N 3.1Å
8E82.2Confident76.8Confident155 Ų155108.8 Ų108.872%0.72461%0.605SS**Hα-helixtrans-72.3-41.1176.9-69.5-178.4157.200112.7T6 L10 K11 L12T6-E8 PolarHBondContact O-N 3.15Å; T6-E8 VanDerWaalsContact O-N 3.1Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.37Å; E8-K11 PolarHBondContact O-N 3.02Å; E8-L12 PolarHBondContact O-N 3.3Å
9E82.2Confident77Confident110 Ų110107.8 Ų107.851%0.51460%0.599SS.*Hα-helixtrans-63.3-40.7174.7-73165.2154.700111.5A5 T6 L12 R13A5-E9 WeakPolarHBondContact CA-OE2 3.46Å; T6-E9 PolarHBondContact N-OE2 3.11Å; T6-E9 PolarHBondContact O-N 3.16Å; T6-E9 VanDerWaalsContact O-N 3.07Å; T6-E9 VanDerWaalsContact OG1-CD 3.23Å; T6-E9 VanDerWaalsContact OG1-CG 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.28Å; T6-E9 PolarHBondContact OG1-OE2 2.82Å; E9-L12 PolarHBondContact O-N 3.4Å; E9-R13 WeakPolarHBondContact O-CB 3.1Å; E9-R13 PolarHBondContact O-N 2.85Å
10L83.4Confident77.3Confident102 Ų102107.9 Ų107.953%0.53459%0.594SS.*Hα-helixtrans-64.8-42.1175.3-70.8171.3000111.9A5 T6 E8 L12 R13 V14A5-L10 HydrophobicContact CB-CD2 4.43Å; A5-L10 HydrophobicContact CB-CG 4.28Å; T6-L10 PolarHBondContact O-N 3.09Å; T6-L10 VanDerWaalsContact O-N 3.14Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.9Å; L10-R13 PolarHBondContact O-N 3.07Å; L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 3.31Å
11K84.2Confident77.5Confident128 Ų128107.4 Ų107.456%0.55759%0.591SS**Hα-helixtrans-66.7-32.6176.1-76.8176.1178.6179.90113.1V7 E8 R15V7-K11 HydrophobicContact CG1-CD 4.32Å; V7-K11 VanDerWaalsContact O-CG 3.3Å; V7-K11 WeakPolarHBondContact O-CG 3.49Å; V7-K11 PolarHBondContact O-N 2.86Å; V7-K11 VanDerWaalsContact O-N 3.1Å; E8-K11 PolarHBondContact O-N 3.02Å; K11-R15 PolarHBondContact O-N 2.88Å; K11-R15 PolarHBondContact O-NE 2.69Å
12L89.5Confident79.2Confident96 Ų96104 Ų10450%0.50355%0.549SS..Hα-helixtrans-67.5-46.2172.7-166.484000109.8E8 E9 L10 V14 R15 E16E8-L12 PolarHBondContact O-N 3.3Å; E9-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.9Å; L12-V14 PolarHBondContact O-N 3.04Å; L12-R15 PolarHBondContact O-N 2.89Å; L12-E16 PolarHBondContact O-N 2.69Å
13R86.1Confident80.2Confident120 Ų120106.3 Ų106.345%0.45354%0.538SS..Hα-helixtrans-63.6-39.5-179.8-171.560-179.4161.14.8112.9E9 L10 E16 L17E9-R13 WeakPolarHBondContact O-CB 3.1Å; E9-R13 PolarHBondContact O-N 2.85Å; L10-R13 PolarHBondContact O-N 3.07Å; R13-E16 IonicContact NH1-OE2 2.81Å; R13-E16 PolarHBondContact NH1-OE2 2.8Å; R13-E16 PolarHBondContact O-N 3.09Å; R13-L17 HydrophobicContact CG-CD1 4.16Å; R13-L17 WeakPolarHBondContact O-CB 3.18Å; R13-L17 VanDerWaalsContact O-CG 3.29Å; R13-L17 WeakPolarHBondContact O-CG 3.35Å; R13-L17 PolarHBondContact O-N 3.03Å
14V89.4Confident81.1Confident78 Ų78104.2 Ų104.247%0.47352%0.522SS..Hα-helixtrans-60.8-46.8173.8169.90000110.6L10 L12 E16 L17 E18L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 3.31Å; L12-V14 PolarHBondContact O-N 3.04Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-E16 PolarHBondContact O-N 3.16Å; V14-L17 PolarHBondContact O-N 2.87Å; V14-E18 HydrophobicContact CG1-CG 4.32Å; V14-E18 WeakPolarHBondContact O-CB 3.41Å; V14-E18 VanDerWaalsContact O-CG 3.3Å; V14-E18 WeakPolarHBondContact O-CG 3.44Å; V14-E18 PolarHBondContact O-N 2.9Å
15R87.9Confident81.6Confident142 Ų142101.6 Ų101.654%0.53651%0.506SS..Hα-helixtrans-63.7-37177-89.4-178.6-77.8173.5-6.2113.2K11 L12 N19K11-R15 PolarHBondContact O-N 2.88Å; K11-R15 PolarHBondContact O-NE 2.69Å; L12-R15 PolarHBondContact O-N 2.89Å; R15-N19 WeakPolarHBondContact O-CB 3.48Å; R15-N19 VanDerWaalsContact O-CG 3.29Å; R15-N19 PolarHBondContact O-N 3.3Å; R15-N19 PolarHBondContact O-ND2 3.23Å
16E88.3Confident81.4Confident84 Ų84105 Ų10539%0.39351%0.513SS..Hα-helixtrans-62.6-48.2173.3-76.4178.6172.900111.3L12 R13 V14 E18 N19 E20L12-E16 PolarHBondContact O-N 2.69Å; R13-E16 IonicContact NH1-OE2 2.81Å; R13-E16 PolarHBondContact NH1-OE2 2.8Å; R13-E16 PolarHBondContact O-N 3.09Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-E16 PolarHBondContact O-N 3.16Å; E16-E18 PolarHBondContact O-N 3.07Å; E16-N19 PolarHBondContact O-N 3.13Å; E16-E20 WeakPolarHBondContact O-CG 3.1Å; E16-E20 PolarHBondContact O-N 2.95Å
17L87.6Confident80.3Confident83 Ų83110.8 Ų110.844%0.43553%0.526SS..Hα-helixtrans-64.6-38.5178.7-71.3170.2000112R13 V14 E20 L21R13-L17 HydrophobicContact CG-CD1 4.16Å; R13-L17 WeakPolarHBondContact O-CB 3.18Å; R13-L17 VanDerWaalsContact O-CG 3.29Å; R13-L17 WeakPolarHBondContact O-CG 3.35Å; R13-L17 PolarHBondContact O-N 3.03Å; V14-L17 PolarHBondContact O-N 2.87Å; L17-E20 PolarHBondContact O-N 3.38Å; L17-L21 VanDerWaalsContact O-CB 3.22Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.26Å
18E86.4Confident79.3Confident104 Ų104111.4 Ų111.449%0.48652%0.523SS..Hα-helixtrans-61.6-43.6172.9-75.2171.4166.700111.3V14 E16 L21 I22V14-E18 HydrophobicContact CG1-CG 4.32Å; V14-E18 WeakPolarHBondContact O-CB 3.41Å; V14-E18 VanDerWaalsContact O-CG 3.3Å; V14-E18 WeakPolarHBondContact O-CG 3.44Å; V14-E18 PolarHBondContact O-N 2.9Å; E16-E18 PolarHBondContact O-N 3.07Å; E18-L21 WeakPolarHBondContact O-CB 3.29Å; E18-L21 PolarHBondContact O-N 3.1Å; E18-I22 WeakPolarHBondContact O-CD1 3.49Å; E18-I22 WeakPolarHBondContact O-CG1 3.48Å; E18-I22 PolarHBondContact O-N 3Å
19N80Confident77.9Confident90 Ų90107.2 Ų107.248%0.48151%0.51SS..Hα-helixtrans-68.6-38.3177.1-76.9-42.4000112.8R15 E16 I22 K23R15-N19 WeakPolarHBondContact O-CB 3.48Å; R15-N19 VanDerWaalsContact O-CG 3.29Å; R15-N19 PolarHBondContact O-N 3.3Å; R15-N19 PolarHBondContact O-ND2 3.23Å; E16-N19 PolarHBondContact O-N 3.13Å; N19-I22 PolarHBondContact O-N 3.38Å; N19-K23 WeakPolarHBondContact O-CB 3.41Å; N19-K23 WeakPolarHBondContact O-CG 3.47Å; N19-K23 PolarHBondContact O-N 2.82Å
20E82.4Confident76.4Confident109 Ų109105.3 Ų105.351%0.50951%0.513SS..Hα-helixtrans-64.9-41.4172.6-76.4-176.3168.900111.1E16 L17 K23 C24E16-E20 WeakPolarHBondContact O-CG 3.1Å; E16-E20 PolarHBondContact O-N 2.95Å; L17-E20 PolarHBondContact O-N 3.38Å; E20-K23 PolarHBondContact O-N 3.32Å; E20-C24 WeakPolarHBondContact O-CB 3.35Å; E20-C24 PolarHBondContact O-N 3.38Å
21L81.4Confident74.9Confident98 Ų98103.9 Ų103.951%0.51352%0.516SS..Hα-helixtrans-61.2-44.9174.6-17375.4000111.1L17 E18 C24 K25L17-L21 VanDerWaalsContact O-CB 3.22Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.26Å; E18-L21 WeakPolarHBondContact O-CB 3.29Å; E18-L21 PolarHBondContact O-N 3.1Å; L21-C24 PolarHBondContact O-N 3.2Å; L21-K25 HydrophobicContact CG-CD 4.46Å; L21-K25 WeakPolarHBondContact O-CB 3.38Å; L21-K25 VanDerWaalsContact O-CG 3.32Å; L21-K25 WeakPolarHBondContact O-CG 3.38Å; L21-K25 PolarHBondContact O-N 2.98Å
22I79.6Confident73.4Confident84 Ų84100.2 Ų100.243%0.43150%0.501SS..Hα-helixtrans-60.9-45.7175.8-70162.6000110.5E18 N19 K25 Q26E18-I22 WeakPolarHBondContact O-CD1 3.49Å; E18-I22 WeakPolarHBondContact O-CG1 3.48Å; E18-I22 PolarHBondContact O-N 3Å; N19-I22 PolarHBondContact O-N 3.38Å; I22-K25 PolarHBondContact O-N 2.84Å; I22-Q26 HydrophobicContact CG2-CG 4.4Å; I22-Q26 WeakPolarHBondContact O-CB 3.4Å; I22-Q26 VanDerWaalsContact O-CG 3.28Å; I22-Q26 WeakPolarHBondContact O-CG 3.15Å; I22-Q26 PolarHBondContact O-N 3.37Å
23K68.8Low71.6Confident127 Ų127101.6 Ų101.655%0.55251%0.509SS*.Hα-helixtrans-65.6-38.3178-74.8175.3-177174.90112.7N19 E20 Q26 R27N19-K23 WeakPolarHBondContact O-CB 3.41Å; N19-K23 WeakPolarHBondContact O-CG 3.47Å; N19-K23 PolarHBondContact O-N 2.82Å; E20-K23 PolarHBondContact O-N 3.32Å; K23-Q26 PolarHBondContact O-N 3.35Å; K23-R27 WeakPolarHBondContact O-CB 3.33Å; K23-R27 WeakPolarHBondContact O-CG 3.2Å; K23-R27 PolarHBondContact O-N 3.28Å
24C73.4Confident70Confident75 Ų7599.6 Ų99.651%0.50752%0.517SS..Hα-helixtrans-64-46.6173.6-95.10000111.2E20 L21 Q26 R27 Q28E20-C24 WeakPolarHBondContact O-CB 3.35Å; E20-C24 PolarHBondContact O-N 3.38Å; L21-C24 PolarHBondContact O-N 3.2Å; C24-Q26 VanDerWaalsContact C-N 3.34Å; C24-Q26 PolarHBondContact O-N 2.84Å; C24-R27 PolarHBondContact O-N 3.5Å; C24-Q28 PolarHBondContact O-N 2.99Å
25K70.3Confident68.6Low122 Ų122104.3 Ų104.353%0.5353%0.534SS..Hα-helixtrans-59.3-43.7175.1-74.9-178.5174.6-171.10112L21 I22 Q28 C29L21-K25 HydrophobicContact CG-CD 4.46Å; L21-K25 WeakPolarHBondContact O-CB 3.38Å; L21-K25 VanDerWaalsContact O-CG 3.32Å; L21-K25 WeakPolarHBondContact O-CG 3.38Å; L21-K25 PolarHBondContact O-N 2.98Å; I22-K25 PolarHBondContact O-N 2.84Å; K25-Q28 PolarHBondContact O-N 3.26Å; K25-C29 PolarHBondContact O-N 2.81Å
26Q63.7Low67.7Low123 Ų123100.4 Ų100.458%0.57552%0.524SS*.Hα-helixtrans-64.9-39177.1-75.6175-12.700112.8I22 K23 C24 A30I22-Q26 HydrophobicContact CG2-CG 4.4Å; I22-Q26 WeakPolarHBondContact O-CB 3.4Å; I22-Q26 VanDerWaalsContact O-CG 3.28Å; I22-Q26 WeakPolarHBondContact O-CG 3.15Å; I22-Q26 PolarHBondContact O-N 3.37Å; K23-Q26 PolarHBondContact O-N 3.35Å; C24-Q26 VanDerWaalsContact C-N 3.34Å; C24-Q26 PolarHBondContact O-N 2.84Å; Q26-A30 WeakPolarHBondContact O-CB 3.42Å; Q26-A30 PolarHBondContact O-N 2.74Å
27R59.3Low67.5Low194 Ų19499.1 Ų99.173%0.73252%0.515SS*.Hα-helixtrans-70.3-35.7176.2-76.4176.4177.8177.9-1.2112.7K23 C24 A31K23-R27 WeakPolarHBondContact O-CB 3.33Å; K23-R27 WeakPolarHBondContact O-CG 3.2Å; K23-R27 PolarHBondContact O-N 3.28Å; C24-R27 PolarHBondContact O-N 3.5Å; R27-A31 WeakPolarHBondContact O-CB 3.47Å; R27-A31 PolarHBondContact O-N 3.23Å
28Q59.6Low67.6Low115 Ų11599.9 Ų99.954%0.53753%0.525SS..Hα-helixtrans-63.8-51.6170.9-85.7176.9-46.300110.9C24 K25 A30 A31 E32C24-Q28 PolarHBondContact O-N 2.99Å; K25-Q28 PolarHBondContact O-N 3.26Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A30 PolarHBondContact O-N 2.87Å; Q28-A31 PolarHBondContact O-N 3.02Å; Q28-A31 VanDerWaalsContact O-N 3.11Å; Q28-E32 WeakPolarHBondContact O-CB 3.24Å; Q28-E32 VanDerWaalsContact O-CG 3.27Å; Q28-E32 WeakPolarHBondContact O-CG 3.28Å; Q28-E32 PolarHBondContact O-N 3.23Å
29C52.5Low67.9Low68 Ų68103 Ų10346%0.45953%0.533SS..Hα-helixtrans-56.9-43.6176.7-77.50000113.1K25 A31 E32 D33K25-C29 PolarHBondContact O-N 2.81Å; C29-A31 VanDerWaalsContact C-N 3.3Å; C29-A31 PolarHBondContact O-N 2.92Å; C29-E32 PolarHBondContact O-N 3.19Å; C29-D33 PolarHBondContact O-N 3.29Å
30A49.8Very low68.5Low69 Ų69100.6 Ų100.657%0.5752%0.519SS*.Hα-helixtrans-68.6-26.8-179.900000113.7Q26 Q28Q26-A30 WeakPolarHBondContact O-CB 3.42Å; Q26-A30 PolarHBondContact O-N 2.74Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A30 PolarHBondContact O-N 2.87Å
31A53Low68.9Low72 Ų72102.7 Ų102.760%0.59553%0.534SS*.Hα-helixtrans-80.7-32.4173.700000112R27 Q28 C29R27-A31 WeakPolarHBondContact O-CB 3.47Å; R27-A31 PolarHBondContact O-N 3.23Å; Q28-A31 PolarHBondContact O-N 3.02Å; Q28-A31 VanDerWaalsContact O-N 3.11Å; C29-A31 VanDerWaalsContact C-N 3.3Å; C29-A31 PolarHBondContact O-N 2.92Å
32E52.6Low69.4Low52 Ų52105.5 Ų105.524%0.24354%0.542CS..Hα-helixtrans-67.7-42.8176.3-73.5159-166.800111.7Q28 C29 A34 H35 N36 H133Q28-E32 WeakPolarHBondContact O-CB 3.24Å; Q28-E32 VanDerWaalsContact O-CG 3.27Å; Q28-E32 WeakPolarHBondContact O-CG 3.28Å; Q28-E32 PolarHBondContact O-N 3.23Å; C29-E32 PolarHBondContact O-N 3.19Å; E32-A34 PolarHBondContact O-N 3.37Å; E32-A34 VanDerWaalsContact O-N 3.17Å; E32-H35 PolarHBondContact O-N 3.34Å; E32-N36 PolarHBondContact O-N 2.85Å; E32-N36 PolarHBondContact O-ND2 2.99Å; E32-N36 PolarHBondContact O-OD1 3.09Å; E32-H133 IonicContact OE1-CE1 3.99Å; E32-H133 PolarHBondContact OE1-CE1 3.36Å; E32-H133 IonicContact OE1-NE2 3.79Å; E32-H133 PolarHBondContact OE1-NE2 3.04Å; E32-H133 IonicContact OE2-NE2 3.16Å
33D52.2Low70.1Confident125 Ų125101.8 Ų101.867%0.66852%0.523SS*.THydrogen-bonded Turntrans-63.8-22.9-177.7-80.7-22.2000114.5C29 H35C29-D33 PolarHBondContact O-N 3.29Å; D33-H35 VanDerWaalsContact C-N 3.33Å; D33-H35 PolarHBondContact O-N 3Å
34A52.7Low71.1Confident77 Ų7798 Ų9864%0.63651%0.512SS*.THydrogen-bonded Turntrans-76.4-17.4-177.600000113.9E32E32-A34 PolarHBondContact O-N 3.37Å; E32-A34 VanDerWaalsContact O-N 3.17Å
35H59.7Low72Confident177 Ų17795.9 Ų95.982%0.81950%0.5SS*.THydrogen-bonded Turntrans-126.73.4-176.2-74.815.4000113.4E32 D33E32-H35 PolarHBondContact O-N 3.34Å; D33-H35 VanDerWaalsContact C-N 3.33Å; D33-H35 PolarHBondContact O-N 3Å
36N68.9Low73Confident61 Ų6195.6 Ų95.633%0.32650%0.501SS..PPolyproline II helixtrans-77.4133.1179.9-80.6-17.3000111.3E32 N137E32-N36 PolarHBondContact O-N 2.85Å; E32-N36 PolarHBondContact O-ND2 2.99Å; E32-N36 PolarHBondContact O-OD1 3.09Å; N36-N137 PolarHBondContact OD1-OD1 3.17Å
37R84.1Confident74.4Confident57 Ų5794.1 Ų94.122%0.21550%0.5CS..PPolyproline II helixtrans-55139.8169.9175-174148.5-179.3-1.2109.1P52 Y53 N139 P140 D141R37-P52 VanDerWaalsContact NH1-CG 3.27Å; R37-Y53 PolarHBondContact NH2-OH 3Å; R37-N139 PolarHBondContact NH1-OD1 3.38Å; R37-N139 PolarHBondContact NH2-OD1 3.09Å; R37-P140 VanDerWaalsContact O-CG 3.32Å; R37-P140 WeakPolarHBondContact O-CG 3.25Å; R37-D141 IonicContact CZ-OD2 3.65Å; R37-D141 IonicContact NH2-OD2 3.79Å; R37-D141 PolarHBondContact NH2-OD2 3.29Å
38P89.2Confident75.9Confident99 Ų9987.2 Ų87.264%0.64348%0.479SS*.PPolyproline II helixtrans-72.9156.6174.129.9-34.8000111.5
39R92.9Very high77.4Confident170 Ų17089.2 Ų89.264%0.64249%0.493SS*.PPolyproline II helixtrans-67.6143.4170.7-77.8-174.1167.8-178.9-2.3111.5P140 D141R39-P140 HydrophobicContact CG-CB 4.02Å; R39-P140 HydrophobicContact CG-CG 4.18Å; R39-P140 PolarHBondContact NE-O 3.47Å; R39-P140 PolarHBondContact NH2-O 2.89Å; R39-D141 WeakPolarHBondContact CA-OD1 3.46Å
40I93.4Very high79.2Confident39 Ų3991 Ų9120%0.251%0.507CS..  trans-117.3112.4178.9-61178.5000108.5K42 P52 Y53 R72 D141I40-K42 WeakPolarHBondContact CG2-O 3.43Å; I40-P52 HydrophobicContact CD1-CG 4.04Å; I40-Y53 HydrophobicContact CB-CE2 4.23Å; I40-Y53 HydrophobicContact CD1-CD2 4.03Å; I40-Y53 HydrophobicContact CD1-CE2 3.94Å; I40-Y53 HydrophobicContact CG2-CE2 4.35Å; I40-R72 PolarHBondContact O-NH1 3.29Å; I40-R72 PolarHBondContact O-NH2 2.92Å; I40-D141 PolarHBondContact N-OD1 3.3Å
41D90.8Very high81.2Confident153 Ų15388.3 Ų88.382%0.81848%0.483SS*.SBendtrans-68.8-39.5-177.7-65-32.1000112.3R72D41-R72 VanDerWaalsContact C-NH1 3.31Å; D41-R72 PolarHBondContact O-NH1 2.89Å
42K91.8Very high83.2Confident156 Ų15687.8 Ų87.868%0.67847%0.473SS*.SBendtrans-127.3132.1179.6-170.4175.6-179.8178.60111.6I40 S44I40-K42 WeakPolarHBondContact CG2-O 3.43Å; K42-S44 PolarHBondContact O-N 3.05Å
43M93.4Very high85.2Confident7 Ų785.3 Ų85.33%0.03446%0.462CS..  trans-68.2121.9178.5-161176.7-71.500109.5Y53 M57 Y68 E69 I71 R72M43-Y53 HydrophobicContact CE-CD1 3.74Å; M43-Y53 HydrophobicContact CE-CD2 4.48Å; M43-Y53 HydrophobicContact CE-CE1 3.83Å; M43-Y53 HydrophobicContact CE-CG 4.09Å; M43-Y53 HydrophobicContact CG-CD1 4.25Å; M43-Y53 HydrophobicContact CG-CD2 3.79Å; M43-Y53 HydrophobicContact CG-CG 3.62Å; M43-Y53 HydrophobicContact SD-CD1 4.1Å; M43-Y53 HydrophobicContact SD-CG 4.06Å; M43-M57 HydrophobicContact CB-SD 4.36Å; M43-M57 HydrophobicContact CG-CG 3.82Å; M43-M57 HydrophobicContact CG-SD 3.71Å; M43-M57 HydrophobicContact SD-CG 3.96Å; M43-M57 HydrophobicContact SD-SD 3.45Å; M43-Y68 HydrophobicContact CE-CE1 4.45Å; M43-Y68 HydrophobicContact SD-CD1 3.77Å; M43-Y68 HydrophobicContact SD-CE1 4.06Å; M43-E69 HydrophobicContact CB-CB 4.14Å; M43-E69 HydrophobicContact SD-CB 4.5Å; M43-I71 HydrophobicContact CE-CG2 3.96Å; M43-R72 HydrophobicContact CE-CG 3.86Å
44S90.8Very high87.2Confident46 Ų4679.6 Ų79.632%0.32243%0.431SS..  trans-103.9141.3-177.2179.60000111.3K42 E46 N51 M57K42-S44 PolarHBondContact O-N 3.05Å; S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 VanDerWaalsContact OG-CB 3.28Å; S44-E46 WeakPolarHBondContact OG-CB 3.3Å; S44-E46 PolarHBondContact OG-N 3.37Å; S44-E46 VanDerWaalsContact OG-N 3.09Å; S44-N51 PolarHBondContact O-ND2 3Å; S44-M57 WeakPolarHBondContact O-CG 3.14Å
45A90.9Very high89.2Confident31 Ų3183.4 Ų83.426%0.25643%0.429SS..  trans-84.60.3171.300000113.2V47 M57 R61A45-V47 PolarHBondContact O-N 3.43Å; A45-M57 HydrophobicContact CB-CB 3.99Å; A45-M57 HydrophobicContact CB-CE 4.34Å; A45-R61 PolarHBondContact O-NH2 3.08Å
46E91Very high90.9Very high117 Ų11777 Ų7755%0.54740%0.401SS..  trans-60.8129.4180-171.3179.6-177.800111.3S44 V48 N51 S54S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 VanDerWaalsContact OG-CB 3.28Å; S44-E46 WeakPolarHBondContact OG-CB 3.3Å; S44-E46 PolarHBondContact OG-N 3.37Å; S44-E46 VanDerWaalsContact OG-N 3.09Å; E46-V48 HydrophobicContact CG-CG1 4.02Å; E46-V48 HydrophobicContact CG-CG2 4.24Å; E46-V48 PolarHBondContact O-N 2.87Å; E46-N51 PolarHBondContact O-ND2 2.78Å; E46-S54 WeakPolarHBondContact O-CB 3.12Å
47V93.3Very high92.1Very high92 Ų9274.4 Ų74.456%0.55839%0.387SS*.  trans-93.886-176.7-1740000108.7A45A45-V47 PolarHBondContact O-N 3.43Å
48V92.1Very high92.6Very high48 Ų4873.3 Ų73.329%0.29139%0.39SS..  trans-133.7153.2174.7-69.30000109.6E46 S50 N51E46-V48 HydrophobicContact CG-CG1 4.02Å; E46-V48 HydrophobicContact CG-CG2 4.24Å; E46-V48 PolarHBondContact O-N 2.87Å; V48-S50 WeakPolarHBondContact CG2-OG 3.33Å; V48-S50 PolarHBondContact O-N 2.87Å; V48-N51 HydrophobicContact CG2-CB 3.71Å; V48-N51 PolarHBondContact O-N 3.45Å
49D90.1Very high92.7Very high157 Ų15771.2 Ų71.284%0.8437%0.373SS*.THydrogen-bonded Turntrans-66.3-23-175.7-66.8-23.9000113.2N51D49-N51 VanDerWaalsContact C-N 3.33Å
50S90.6Very high92.6Very high106 Ų10667.1 Ų67.174%0.74136%0.36SS*.THydrogen-bonded Turntrans-79.4-10.817556.90000114.1V48 P52V48-S50 WeakPolarHBondContact CG2-OG 3.33Å; V48-S50 PolarHBondContact O-N 2.87Å; S50-P52 VanDerWaalsContact O-CD 3.23Å; S50-P52 WeakPolarHBondContact O-CD 3.36Å
51N92.6Very high92.4Very high13 Ų1373 Ų737%0.0738%0.379CS..  trans-96.8104.1-179.2-179.911.2000111.2S44 E46 V48 D49 Y53 S54S44-N51 PolarHBondContact O-ND2 3Å; E46-N51 PolarHBondContact O-ND2 2.78Å; V48-N51 HydrophobicContact CG2-CB 3.71Å; V48-N51 PolarHBondContact O-N 3.45Å; D49-N51 VanDerWaalsContact C-N 3.33Å; N51-Y53 PolarHBondContact O-N 3.38Å; N51-Y53 PolarHBondContact OD1-N 3.47Å; N51-S54 PolarHBondContact ND2-N 3.16Å; N51-S54 WeakPolarHBondContact O-CB 3.28Å; N51-S54 PolarHBondContact O-N 3.47Å; N51-S54 PolarHBondContact O-OG 3.27Å
52P93.6Very high92.4Very high60 Ų6072.2 Ų72.239%0.3937%0.373SS..THydrogen-bonded Turntrans-71.1-17.5-17928.5-32.5000113.1R37 I40 S50R37-P52 VanDerWaalsContact NH1-CG 3.27Å; I40-P52 HydrophobicContact CD1-CG 4.04Å; S50-P52 VanDerWaalsContact O-CD 3.23Å; S50-P52 WeakPolarHBondContact O-CD 3.36Å
53Y95.9Very high92.4Very high1 Ų167.5 Ų67.50%0.00437%0.368CS..THydrogen-bonded Turntrans-91.4-6.7178.2-59.3-59.3000113.5R37 I40 M43 N51 R55 L56 M57 N139 D141R37-Y53 PolarHBondContact NH2-OH 3Å; I40-Y53 HydrophobicContact CB-CE2 4.23Å; I40-Y53 HydrophobicContact CD1-CD2 4.03Å; I40-Y53 HydrophobicContact CD1-CE2 3.94Å; I40-Y53 HydrophobicContact CG2-CE2 4.35Å; M43-Y53 HydrophobicContact CE-CD1 3.74Å; M43-Y53 HydrophobicContact CE-CD2 4.48Å; M43-Y53 HydrophobicContact CE-CE1 3.83Å; M43-Y53 HydrophobicContact CE-CG 4.09Å; M43-Y53 HydrophobicContact CG-CD1 4.25Å; M43-Y53 HydrophobicContact CG-CD2 3.79Å; M43-Y53 HydrophobicContact CG-CG 3.62Å; M43-Y53 HydrophobicContact SD-CD1 4.1Å; M43-Y53 HydrophobicContact SD-CG 4.06Å; N51-Y53 PolarHBondContact O-N 3.38Å; N51-Y53 PolarHBondContact OD1-N 3.47Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 3.22Å; Y53-L56 HydrophobicContact CD1-CD1 4.12Å; Y53-L56 PolarHBondContact O-N 3.43Å; Y53-M57 WeakPolarHBondContact O-CG 3.2Å; Y53-M57 PolarHBondContact O-N 2.74Å; Y53-N139 PolarHBondContact OH-ND2 3.35Å; Y53-N139 PolarHBondContact OH-OD1 3.06Å; Y53-D141 WeakPolarHBondContact CE2-OD2 3.32Å; Y53-D141 WeakPolarHBondContact OH-CB 3.37Å; Y53-D141 PolarHBondContact OH-OD2 3.48Å
54S93.8Very high92.4Very high4 Ų471.3 Ų71.33%0.02839%0.388CS..Hα-helixtrans-52.6-43.6-175.1530000113.4E46 N51 A58E46-S54 WeakPolarHBondContact O-CB 3.12Å; N51-S54 PolarHBondContact ND2-N 3.16Å; N51-S54 WeakPolarHBondContact O-CB 3.28Å; N51-S54 PolarHBondContact O-N 3.47Å; N51-S54 PolarHBondContact O-OG 3.27Å; S54-A58 PolarHBondContact O-N 3.03Å
55R94.5Very high92.5Very high157 Ų15769.2 Ų69.259%0.59237%0.373SS*.Hα-helixtrans-76.1-28.2-179.7-81.264.2177.1-176-0.9112.7Y53 A58Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 3.22Å; R55-A58 WeakPolarHBondContact O-CB 3.37Å
56L95.3Very high92.5Very high42 Ų4274.2 Ų74.222%0.2240%0.395CS..Hα-helixtrans-74.8-44.1175.8-63177.2000110.9Y53 A58 L59 Y68 R94Y53-L56 HydrophobicContact CD1-CD1 4.12Å; Y53-L56 PolarHBondContact O-N 3.43Å; L56-A58 PolarHBondContact O-N 2.83Å; L56-L59 VanDerWaalsContact O-CB 3.28Å; L56-L59 WeakPolarHBondContact O-CB 3.23Å; L56-L59 WeakPolarHBondContact O-CG 3.33Å; L56-L59 PolarHBondContact O-N 3.36Å; L56-Y68 HydrophobicContact CB-CD1 4.14Å; L56-Y68 HydrophobicContact CB-CE1 3.53Å; L56-Y68 HydrophobicContact CB-CE2 4.43Å; L56-Y68 HydrophobicContact CD1-CE1 4.1Å; L56-Y68 HydrophobicContact CG-CE1 4.3Å; L56-R94 WeakPolarHBondContact CD1-O 3.31Å
57M94.4Very high92.6Very high8 Ų871.9 Ų71.94%0.03939%0.387CS..Hα-helixtrans-65.9-17.3175.1-68.7-60.4-71.100113.3M43 S44 A45 Y53 L59 K60 Y68 E69M43-M57 HydrophobicContact CB-SD 4.36Å; M43-M57 HydrophobicContact CG-CG 3.82Å; M43-M57 HydrophobicContact CG-SD 3.71Å; M43-M57 HydrophobicContact SD-CG 3.96Å; M43-M57 HydrophobicContact SD-SD 3.45Å; S44-M57 WeakPolarHBondContact O-CG 3.14Å; A45-M57 HydrophobicContact CB-CB 3.99Å; A45-M57 HydrophobicContact CB-CE 4.34Å; Y53-M57 WeakPolarHBondContact O-CG 3.2Å; Y53-M57 PolarHBondContact O-N 2.74Å; M57-L59 PolarHBondContact O-N 2.83Å; M57-K60 HydrophobicContact CE-CD 4.32Å; M57-K60 WeakPolarHBondContact O-CB 3.49Å; M57-K60 PolarHBondContact O-N 3.28Å; M57-Y68 HydrophobicContact SD-CD1 4.16Å; M57-E69 HydrophobicContact CE-CB 4.5Å; M57-E69 HydrophobicContact SD-CB 4.44Å
58A94Very high92.8Very high33 Ų3367.7 Ų67.727%0.27336%0.361SS..Hα-helixtrans-62.8-27.2170.800000112.4S54 R55 L56 K60 R61 M62S54-A58 PolarHBondContact O-N 3.03Å; R55-A58 WeakPolarHBondContact O-CB 3.37Å; L56-A58 PolarHBondContact O-N 2.83Å; A58-K60 PolarHBondContact O-N 2.88Å; A58-R61 WeakPolarHBondContact O-CA 3.21Å; A58-R61 WeakPolarHBondContact O-CB 3.18Å; A58-R61 PolarHBondContact O-N 3.4Å; A58-M62 WeakPolarHBondContact O-CG 3.47Å; A58-M62 PolarHBondContact O-N 3.2Å
59L92.1Very high93Very high56 Ų5668.1 Ų68.129%0.29336%0.36SS..Hα-helixtrans-59.2-33.7175-67.4167.9000112.5L56 M57 G63 I64 V65 Y68L56-L59 VanDerWaalsContact O-CB 3.28Å; L56-L59 WeakPolarHBondContact O-CB 3.23Å; L56-L59 WeakPolarHBondContact O-CG 3.33Å; L56-L59 PolarHBondContact O-N 3.36Å; M57-L59 PolarHBondContact O-N 2.83Å; L59-G63 PolarHBondContact O-N 3.14Å; L59-I64 HydrophobicContact CD2-CB 4.22Å; L59-I64 HydrophobicContact CD2-CG1 4.49Å; L59-I64 HydrophobicContact CD2-CG2 4.3Å; L59-I64 PolarHBondContact O-N 3.48Å; L59-V65 HydrophobicContact CB-CB 4.38Å; L59-V65 HydrophobicContact CB-CG2 4.25Å; L59-V65 PolarHBondContact O-N 2.99Å; L59-Y68 HydrophobicContact CB-CD2 4.39Å; L59-Y68 HydrophobicContact CD1-CD2 3.76Å; L59-Y68 HydrophobicContact CD1-CE2 3.6Å
60K90.7Very high93.3Very high83 Ų8364.7 Ų64.736%0.36134%0.337SS..Hα-helixtrans-68.2-38.9173.1-177.7169.1-176.8162.20112.2M57 A58 M62 G63 V65 D66 E69M57-K60 HydrophobicContact CE-CD 4.32Å; M57-K60 WeakPolarHBondContact O-CB 3.49Å; M57-K60 PolarHBondContact O-N 3.28Å; A58-K60 PolarHBondContact O-N 2.88Å; K60-M62 VanDerWaalsContact C-N 3.33Å; K60-G63 PolarHBondContact O-N 3.32Å; K60-V65 WeakPolarHBondContact CA-O 3.33Å; K60-D66 WeakPolarHBondContact CD-O 3.45Å; K60-D66 WeakPolarHBondContact CE-O 3.34Å; K60-D66 WeakPolarHBondContact CG-O 3.42Å; K60-E69 IonicContact NZ-OE1 2.73Å; K60-E69 PolarHBondContact NZ-OE1 3.26Å
61R88.3Confident93.7Very high162 Ų16259.7 Ų59.761%0.61130%0.302SS*.Hα-helixtrans-70.9-30.5176.9-64.1-176.8177.6-178-1112.8A45 A58 G63A45-R61 PolarHBondContact O-NH2 3.08Å; A58-R61 WeakPolarHBondContact O-CA 3.21Å; A58-R61 WeakPolarHBondContact O-CB 3.18Å; A58-R61 PolarHBondContact O-N 3.4Å; R61-G63 VanDerWaalsContact C-N 3.27Å
62M91.3Very high94Very high138 Ų13862 Ų6268%0.6831%0.31SS*.THydrogen-bonded Turntrans-83.91.5178.4-66.7178.366.600113.3A58 K60 I64A58-M62 WeakPolarHBondContact O-CG 3.47Å; A58-M62 PolarHBondContact O-N 3.2Å; K60-M62 VanDerWaalsContact C-N 3.33Å; M62-I64 HydrophobicContact CB-CG1 3.99Å; M62-I64 PolarHBondContact O-N 3.04Å
63G91.1Very high94.2Very high56 Ų5662.6 Ų62.658%0.57731%0.313SS*.THydrogen-bonded Turntrans68.218.1-179.200000114.5L59 K60 R61L59-G63 PolarHBondContact O-N 3.14Å; K60-G63 PolarHBondContact O-N 3.32Å; R61-G63 VanDerWaalsContact C-N 3.27Å
64I93.3Very high94.3Very high87 Ų8763.6 Ų63.645%0.44632%0.317SS..SBendtrans-85.6-37.3179.7-54.4-59.3000111.1L59 M62 F276L59-I64 HydrophobicContact CD2-CB 4.22Å; L59-I64 HydrophobicContact CD2-CG1 4.49Å; L59-I64 HydrophobicContact CD2-CG2 4.3Å; L59-I64 PolarHBondContact O-N 3.48Å; M62-I64 HydrophobicContact CB-CG1 3.99Å; M62-I64 PolarHBondContact O-N 3.04Å; I64-F276 HydrophobicContact CG2-CD2 4.27Å; I64-F276 VanDerWaalsContact O-CB 3.3Å; I64-F276 WeakPolarHBondContact O-CB 3.42Å
65V93.8Very high94.5Very high3 Ų363.4 Ų63.42%0.01832%0.316CS..  trans-137.7110.7179.8-174.30000109.3L59 K60 D67 Y68 L274 F276L59-V65 HydrophobicContact CB-CB 4.38Å; L59-V65 HydrophobicContact CB-CG2 4.25Å; L59-V65 PolarHBondContact O-N 2.99Å; K60-V65 WeakPolarHBondContact CA-O 3.33Å; V65-D67 VanDerWaalsContact C-N 3.31Å; V65-D67 PolarHBondContact O-N 3.07Å; V65-Y68 HydrophobicContact CB-CD2 4.44Å; V65-Y68 HydrophobicContact CG1-CD2 4.33Å; V65-L274 HydrophobicContact CG1-CB 3.93Å; V65-L274 HydrophobicContact CG1-CD1 4.17Å; V65-F276 HydrophobicContact CG1-CD1 4.43Å; V65-F276 HydrophobicContact CG2-CB 4.26Å; V65-F276 HydrophobicContact CG2-CD1 3.66Å; V65-F276 HydrophobicContact CG2-CD2 4.17Å; V65-F276 HydrophobicContact CG2-CE1 3.96Å; V65-F276 HydrophobicContact CG2-CE2 4.45Å; V65-F276 HydrophobicContact CG2-CG 3.77Å; V65-F276 HydrophobicContact CG2-CZ 4.36Å
66D91.4Very high94.8Very high135 Ų13555.9 Ų55.972%0.72229%0.287SS*.THydrogen-bonded Turntrans-59.2-40.8-175.6-60.3-31.8000113.2K60K60-D66 WeakPolarHBondContact CD-O 3.45Å; K60-D66 WeakPolarHBondContact CE-O 3.34Å; K60-D66 WeakPolarHBondContact CG-O 3.42Å
67D93.5Very high94.9Very high68 Ų6853.9 Ų53.936%0.36428%0.277SS..THydrogen-bonded Turntrans-133.169.9-174.6-167.618000112.4V65 E69 K70V65-D67 VanDerWaalsContact C-N 3.31Å; V65-D67 PolarHBondContact O-N 3.07Å; D67-E69 VanDerWaalsContact C-N 3.3Å; D67-E69 PolarHBondContact O-N 3.24Å; D67-E69 WeakPolarHBondContact OD1-CG 3.23Å; D67-K70 HydrophobicContact CB-CB 4.41Å; D67-K70 WeakPolarHBondContact O-CB 3.36Å; D67-K70 PolarHBondContact O-N 3.26Å
68Y96.6Very high95.1Very high4 Ų453.5 Ų53.52%0.01628%0.275CS..G310 helixtrans-61.5-36.7-179.3-168.7-85.6000113M43 L56 M57 L59 V65 K70 I71 L274M43-Y68 HydrophobicContact CE-CE1 4.45Å; M43-Y68 HydrophobicContact SD-CD1 3.77Å; M43-Y68 HydrophobicContact SD-CE1 4.06Å; L56-Y68 HydrophobicContact CB-CD1 4.14Å; L56-Y68 HydrophobicContact CB-CE1 3.53Å; L56-Y68 HydrophobicContact CB-CE2 4.43Å; L56-Y68 HydrophobicContact CD1-CE1 4.1Å; L56-Y68 HydrophobicContact CG-CE1 4.3Å; M57-Y68 HydrophobicContact SD-CD1 4.16Å; L59-Y68 HydrophobicContact CB-CD2 4.39Å; L59-Y68 HydrophobicContact CD1-CD2 3.76Å; L59-Y68 HydrophobicContact CD1-CE2 3.6Å; V65-Y68 HydrophobicContact CB-CD2 4.44Å; V65-Y68 HydrophobicContact CG1-CD2 4.33Å; Y68-K70 PolarHBondContact O-N 3.03Å; Y68-K70 VanDerWaalsContact O-N 3.09Å; Y68-I71 HydrophobicContact CD1-CG2 4.32Å; Y68-I71 HydrophobicContact CE1-CG2 3.96Å; Y68-I71 WeakPolarHBondContact O-CB 3.45Å; Y68-I71 VanDerWaalsContact O-CG2 3.25Å; Y68-I71 WeakPolarHBondContact O-CG2 3.43Å; Y68-I71 PolarHBondContact O-N 3.11Å; Y68-L274 HydrophobicContact CD2-CD1 4.04Å; Y68-L274 HydrophobicContact CE2-CD1 4.07Å
69E96.2Very high95.4Very high57 Ų5752.1 Ų52.127%0.26626%0.263SS..G310 helixtrans-61.9-20.8-17856-170.2134.800113M43 M57 K60 D67 I71 R72M43-E69 HydrophobicContact CB-CB 4.14Å; M43-E69 HydrophobicContact SD-CB 4.5Å; M57-E69 HydrophobicContact CE-CB 4.5Å; M57-E69 HydrophobicContact SD-CB 4.44Å; K60-E69 IonicContact NZ-OE1 2.73Å; K60-E69 PolarHBondContact NZ-OE1 3.26Å; D67-E69 VanDerWaalsContact C-N 3.3Å; D67-E69 PolarHBondContact O-N 3.24Å; D67-E69 WeakPolarHBondContact OD1-CG 3.23Å; E69-I71 PolarHBondContact O-N 3.06Å; E69-I71 VanDerWaalsContact O-N 3.09Å; E69-R72 PolarHBondContact O-N 2.74Å
70K97.3Very high95.7Very high86 Ų8649.9 Ų49.937%0.37425%0.253SS..G310 helixtrans-55.4-22170.3-162.8177.9-177.5-179.70113.6D67 Y68 R72 T73 F74 L274D67-K70 HydrophobicContact CB-CB 4.41Å; D67-K70 WeakPolarHBondContact O-CB 3.36Å; D67-K70 PolarHBondContact O-N 3.26Å; Y68-K70 PolarHBondContact O-N 3.03Å; Y68-K70 VanDerWaalsContact O-N 3.09Å; K70-R72 PolarHBondContact O-N 2.76Å; K70-T73 PolarHBondContact O-N 3.4Å; K70-T73 PolarHBondContact O-OG1 3.27Å; K70-F74 HydrophobicContact CB-CE2 4.5Å; K70-F74 HydrophobicContact CD-CE2 4.33Å; K70-F74 HydrophobicContact CD-CZ 4.11Å; K70-F74 HydrophobicContact CG-CE2 3.88Å; K70-F74 HydrophobicContact CG-CZ 3.99Å; K70-F74 WeakPolarHBondContact O-CD2 3.32Å; K70-F74 WeakPolarHBondContact O-CE2 3.48Å; K70-L274 HydrophobicContact CB-CD2 4.12Å
71I98.3Very high96Very high0 Ų045.9 Ų45.90%024%0.236CC..G310 helixtrans-55-30176.8-165.157.6000112.7M43 Y68 E69 T73 F74 C95 I97 G98 L270 L273 L274M43-I71 HydrophobicContact CE-CG2 3.96Å; Y68-I71 HydrophobicContact CD1-CG2 4.32Å; Y68-I71 HydrophobicContact CE1-CG2 3.96Å; Y68-I71 WeakPolarHBondContact O-CB 3.45Å; Y68-I71 VanDerWaalsContact O-CG2 3.25Å; Y68-I71 WeakPolarHBondContact O-CG2 3.43Å; Y68-I71 PolarHBondContact O-N 3.11Å; E69-I71 PolarHBondContact O-N 3.06Å; E69-I71 VanDerWaalsContact O-N 3.09Å; I71-T73 PolarHBondContact O-N 3.09Å; I71-F74 HydrophobicContact CD1-CD2 4.35Å; I71-F74 PolarHBondContact O-N 3.2Å; I71-C95 WeakPolarHBondContact CG2-O 3.46Å; I71-I97 HydrophobicContact CD1-CD1 3.74Å; I71-I97 HydrophobicContact CG1-CD1 4.21Å; I71-G98 PolarHBondContact O-N 3.3Å; I71-L270 HydrophobicContact CD1-CD2 3.66Å; I71-L270 HydrophobicContact CG1-CD2 4.31Å; I71-L273 HydrophobicContact CD1-CD1 4.42Å; I71-L274 HydrophobicContact CB-CD1 4.45Å; I71-L274 HydrophobicContact CB-CD2 4.12Å; I71-L274 HydrophobicContact CD1-CD1 4.37Å; I71-L274 HydrophobicContact CD1-CD2 4.43Å; I71-L274 HydrophobicContact CD1-CG 4.4Å
72R98Very high96.2Very high61 Ų6138.9 Ų38.923%0.2321%0.214CC..G310 helixtrans-71.1-13.7177.8-67.5-176.272.41736.6114I40 D41 M43 E69 K70 F74 G96 G98 L169I40-R72 PolarHBondContact O-NH1 3.29Å; I40-R72 PolarHBondContact O-NH2 2.92Å; D41-R72 VanDerWaalsContact C-NH1 3.31Å; D41-R72 PolarHBondContact O-NH1 2.89Å; M43-R72 HydrophobicContact CE-CG 3.86Å; E69-R72 PolarHBondContact O-N 2.74Å; K70-R72 PolarHBondContact O-N 2.76Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-G96 VanDerWaalsContact CG-O 3.24Å; R72-G96 WeakPolarHBondContact CG-O 3.32Å; R72-G98 WeakPolarHBondContact O-CA 3.32Å; R72-L169 WeakPolarHBondContact O-CD2 3.49Å
73T98.1Very high96.4Very high74 Ų7432.6 Ų32.645%0.45419%0.185SC..G310 helixtrans-88-3.6-179.372.30000113K70 I71 L169K70-T73 PolarHBondContact O-N 3.4Å; K70-T73 PolarHBondContact O-OG1 3.27Å; I71-T73 PolarHBondContact O-N 3.09Å; T73-L169 VanDerWaalsContact C-CD2 3.43Å; T73-L169 VanDerWaalsContact CA-CD2 3.45Å; T73-L169 VanDerWaalsContact O-CD2 3.31Å; T73-L169 WeakPolarHBondContact O-CD2 3.5Å
74F98.6Very high96.7Very high21 Ų2130.6 Ų30.69%0.09216%0.161CC..  trans-105.9149.5-174.3-58.5-63.6000113.2K70 I71 R72 I97 G98 K99 D176 L273 L274K70-F74 HydrophobicContact CB-CE2 4.5Å; K70-F74 HydrophobicContact CD-CE2 4.33Å; K70-F74 HydrophobicContact CD-CZ 4.11Å; K70-F74 HydrophobicContact CG-CE2 3.88Å; K70-F74 HydrophobicContact CG-CZ 3.99Å; K70-F74 WeakPolarHBondContact O-CD2 3.32Å; K70-F74 WeakPolarHBondContact O-CE2 3.48Å; I71-F74 HydrophobicContact CD1-CD2 4.35Å; I71-F74 PolarHBondContact O-N 3.2Å; R72-F74 VanDerWaalsContact C-N 3.33Å; F74-I97 HydrophobicContact CB-CD1 3.84Å; F74-G98 VanDerWaalsContact O-CA 3.26Å; F74-G98 WeakPolarHBondContact O-CA 3.02Å; F74-G98 PolarHBondContact O-N 2.86Å; F74-K99 PolarHBondContact O-N 3.46Å; F74-K99 VanDerWaalsContact O-N 3.09Å; F74-D176 WeakPolarHBondContact CA-OD2 3.32Å; F74-D176 HydrophobicContact CB-CB 4.39Å; F74-D176 HydrophobicContact CD1-CB 4.07Å; F74-D176 VanDerWaalsContact CD1-CG 3.49Å; F74-D176 WeakPolarHBondContact CD1-OD1 3.35Å; F74-L273 HydrophobicContact CB-CD1 4.05Å; F74-L273 HydrophobicContact CD1-CD2 4.06Å; F74-L273 HydrophobicContact CD2-CB 3.92Å; F74-L273 HydrophobicContact CD2-CD1 4.07Å; F74-L273 HydrophobicContact CD2-CD2 4.47Å; F74-L273 HydrophobicContact CD2-CG 4.38Å; F74-L273 HydrophobicContact CE1-CD2 4.26Å; F74-L273 HydrophobicContact CE2-CB 3.78Å; F74-L273 HydrophobicContact CG-CB 4.44Å; F74-L273 HydrophobicContact CG-CD1 4.08Å; F74-L273 HydrophobicContact CG-CD2 4.15Å; F74-L273 HydrophobicContact CG-CG 4.46Å; F74-L273 HydrophobicContact CZ-CB 4.16Å; F74-L273 WeakPolarHBondContact CZ-O 3.37Å; F74-L274 HydrophobicContact CE2-CD2 4.16Å
75A98.8Very high96.9Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-118.4132.1171.900000110.8K99 L169 D176A75-K99 VanDerWaalsContact CA-O 3.31Å; A75-K99 WeakPolarHBondContact CA-O 3.34Å; A75-K99 HydrophobicContact CB-CB 3.87Å; A75-L169 HydrophobicContact CB-CB 4.34Å; A75-D176 PolarHBondContact N-OD2 2.9Å; A75-D176 PolarHBondContact O-N 3.23Å
76V98.9Very high97.1Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-126130-178.7176.90000110.2V78 L92 I97 K99 L100 L101 L177 L179 L273V76-V78 HydrophobicContact CG1-CG2 4.41Å; V76-L92 HydrophobicContact CB-CD1 4.46Å; V76-L92 HydrophobicContact CG1-CD1 4.07Å; V76-I97 HydrophobicContact CG2-CD1 3.97Å; V76-I97 HydrophobicContact CG2-CG1 4.23Å; V76-K99 PolarHBondContact N-O 3.06Å; V76-L100 HydrophobicContact CB-CD2 3.97Å; V76-L100 HydrophobicContact CG1-CD2 4.48Å; V76-L100 WeakPolarHBondContact O-CA 3.45Å; V76-L101 PolarHBondContact O-N 3Å; V76-L177 WeakPolarHBondContact CA-O 3.49Å; V76-L177 HydrophobicContact CG2-CB 4.29Å; V76-L179 HydrophobicContact CG1-CD1 3.6Å; V76-L179 HydrophobicContact CG1-CG 3.65Å; V76-L273 HydrophobicContact CG2-CD1 4.21Å
77A98.9Very high97.5Very high0 Ų020.3 Ų20.30%011%0.107CC..EExtended strand (participates in β ladder)trans-92.8130.3171.300000110.7L101 F103 V175 L177 V178 L179A77-L101 CarbonylContact C-O 3.55Å; A77-L101 WeakPolarHBondContact CA-O 3.5Å; A77-L101 HydrophobicContact CB-CB 4.03Å; A77-F103 HydrophobicContact CB-CE2 4.15Å; A77-V175 HydrophobicContact CB-CG1 4.42Å; A77-V175 HydrophobicContact CB-CG2 4.26Å; A77-L177 PolarHBondContact N-O 3.23Å; A77-V178 HydrophobicContact CB-CG1 4.48Å; A77-V178 HydrophobicContact CB-CG2 4.22Å; A77-V178 CarbonylContact O-C 3.39Å; A77-V178 WeakPolarHBondContact O-CA 3.26Å; A77-L179 PolarHBondContact O-N 2.82Å
78V98.9Very high97.7Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-115.4118.9176.3-1740000108.6V76 L100 L101 L102 F103 L179V76-V78 HydrophobicContact CG1-CG2 4.41Å; V78-L100 HydrophobicContact CG2-CD2 4.43Å; V78-L101 PolarHBondContact N-O 2.94Å; V78-L102 HydrophobicContact CB-CD2 3.98Å; V78-L102 HydrophobicContact CG2-CD2 4.28Å; V78-F103 PolarHBondContact O-N 3.2Å; V78-L179 HydrophobicContact CG2-CB 4.47Å; V78-L179 HydrophobicContact CG2-CD1 4.26Å
79V98.8Very high97.8Very high4 Ų416.9 Ų16.92%0.0249%0.089CC..EExtended strand (participates in β ladder)trans-106.2119.8178.1-1680000109.3F103 I151 F160 V178 L179 C181 V182 I191V79-F103 HydrophobicContact CG1-CB 4.17Å; V79-F103 HydrophobicContact CG2-CB 4.41Å; V79-F103 HydrophobicContact CG2-CD2 4.22Å; V79-I151 HydrophobicContact CG1-CD1 3.75Å; V79-I151 HydrophobicContact CG1-CG1 4.4Å; V79-F160 HydrophobicContact CG2-CE2 3.68Å; V79-F160 HydrophobicContact CG2-CZ 3.89Å; V79-V178 HydrophobicContact CG2-CG1 4.19Å; V79-L179 PolarHBondContact N-O 3.26Å; V79-C181 CarbonylContact O-C 3.47Å; V79-C181 WeakPolarHBondContact O-CA 3.36Å; V79-C181 PolarHBondContact O-N 3.29Å; V79-V182 HydrophobicContact CB-CG1 4.23Å; V79-V182 HydrophobicContact CG1-CG1 3.7Å; V79-V182 WeakPolarHBondContact O-CG1 3.44Å; V79-V182 PolarHBondContact O-N 2.61Å; V79-I191 HydrophobicContact CB-CD1 3.79Å; V79-I191 HydrophobicContact CG1-CD1 3.83Å; V79-I191 HydrophobicContact CG1-CG1 4.4Å; V79-I191 HydrophobicContact CG2-CD1 4.09Å; V79-I191 HydrophobicContact CG2-CG1 4.37Å
80G98.1Very high97.9Very high8 Ų816.3 Ų16.38%0.0829%0.087CC..  trans85.4104.2-169.400000111.2G82 G85 F103 C181G80-G82 VanDerWaalsContact C-N 3.29Å; G80-G82 PolarHBondContact O-N 2.91Å; G80-G85 WeakPolarHBondContact O-CA 3.35Å; G80-F103 PolarHBondContact N-O 3.18Å; G80-C181 VanDerWaalsContact O-CB 3.31Å; G80-C181 WeakPolarHBondContact O-CB 3.5Å
81V97.2Very high98Very high0 Ų015.4 Ų15.40%08%0.084CC..  trans-100.246.9176.3-165.50000109.2L102 D104 F118 V128 A131V81-L102 HydrophobicContact CG2-CB 4.06Å; V81-L102 HydrophobicContact CG2-CD2 4.42Å; V81-D104 WeakPolarHBondContact CA-OD2 3.29Å; V81-D104 HydrophobicContact CB-CB 4.25Å; V81-D104 HydrophobicContact CG2-CB 4.12Å; V81-D104 PolarHBondContact N-OD2 3.15Å; V81-F118 HydrophobicContact CG1-CZ 4.15Å; V81-F118 VanDerWaalsContact O-CE2 3.24Å; V81-F118 WeakPolarHBondContact O-CE2 3.27Å; V81-F118 WeakPolarHBondContact O-CZ 3.35Å; V81-V128 HydrophobicContact CG2-CG1 4.22Å; V81-A131 HydrophobicContact CG1-CB 3.76Å
82G94.2Very high98.1Very high15 Ų1515.4 Ų15.416%0.1558%0.084CC..SBendtrans-87.7-143.8177.100000112.7G80 S86G80-G82 VanDerWaalsContact C-N 3.29Å; G80-G82 PolarHBondContact O-N 2.91Å; G82-S86 WeakPolarHBondContact O-CB 3.31Å; G82-S86 PolarHBondContact O-N 2.88Å; G82-S86 PolarHBondContact O-OG 3.07Å
83G93.8Very high98.1Very high6 Ų612.5 Ų12.56%0.0627%0.073CC..Hα-helixtrans-62.8-44.9-176.900000114.6V87G83-V87 WeakPolarHBondContact O-CG2 3.48Å
84V97.7Very high98.1Very high13 Ų1315.1 Ų15.18%0.0798%0.075CC..Hα-helixtrans-79-51.8176177.50000110.2S86 V87 T88 V207 M258 V261 A262V84-S86 PolarHBondContact O-N 3.38Å; V84-V87 PolarHBondContact O-N 3.2Å; V84-T88 PolarHBondContact O-N 3.25Å; V84-T88 PolarHBondContact O-OG1 3.03Å; V84-V207 HydrophobicContact CG2-CG2 3.8Å; V84-M258 HydrophobicContact CG2-CB 4.33Å; V84-M258 HydrophobicContact CG2-CG 4.27Å; V84-V261 HydrophobicContact CG1-CG1 4.16Å; V84-V261 HydrophobicContact CG2-CG1 4.33Å; V84-A262 HydrophobicContact CG1-CB 4.11Å
85G98.3Very high98.1Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-65.5-31.7-171.200000115.5G80 T88 A89G80-G85 WeakPolarHBondContact O-CA 3.35Å; G85-T88 WeakPolarHBondContact O-CB 3.34Å; G85-T88 PolarHBondContact O-N 2.91Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.77Å
86S98.1Very high98.1Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-66.1-44174.860.50000112.3G82 V84 A89 E90 F117G82-S86 WeakPolarHBondContact O-CB 3.31Å; G82-S86 PolarHBondContact O-N 2.88Å; G82-S86 PolarHBondContact O-OG 3.07Å; V84-S86 PolarHBondContact O-N 3.38Å; S86-A89 PolarHBondContact O-N 2.99Å; S86-E90 PolarHBondContact O-N 2.97Å; S86-F117 WeakPolarHBondContact OG-CB 3.36Å
87V98.6Very high98.1Very high9 Ų915 Ų156%0.0558%0.077CC..Hα-helixtrans-66.6-40.5174.9-178.90000110.8G83 V84 A89 E90 M91 L116 A262G83-V87 WeakPolarHBondContact O-CG2 3.48Å; V84-V87 PolarHBondContact O-N 3.2Å; V87-A89 PolarHBondContact O-N 2.94Å; V87-E90 PolarHBondContact O-N 3.05Å; V87-M91 HydrophobicContact CG1-CE 3.74Å; V87-M91 HydrophobicContact CG1-CG 4.37Å; V87-M91 HydrophobicContact CG1-SD 4.15Å; V87-M91 WeakPolarHBondContact O-CB 3.35Å; V87-M91 WeakPolarHBondContact O-CG 3.25Å; V87-M91 PolarHBondContact O-N 3.37Å; V87-L116 HydrophobicContact CG2-CB 3.73Å; V87-L116 HydrophobicContact CG2-CD1 4.02Å; V87-L116 HydrophobicContact CG2-CG 4.48Å; V87-A262 HydrophobicContact CB-CB 3.78Å; V87-A262 HydrophobicContact CG1-CB 3.68Å
88T98.9Very high98Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-56.4-48.6173.1-63.50000111.4V84 G85 M91 L92 L179 L265 V266V84-T88 PolarHBondContact O-N 3.25Å; V84-T88 PolarHBondContact O-OG1 3.03Å; G85-T88 WeakPolarHBondContact O-CB 3.34Å; G85-T88 PolarHBondContact O-N 2.91Å; T88-M91 PolarHBondContact O-N 3.29Å; T88-L92 HydrophobicContact CG2-CD1 4.14Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.48Å; T88-L179 HydrophobicContact CG2-CD1 3.57Å; T88-L265 HydrophobicContact CG2-CD2 3.99Å; T88-V266 HydrophobicContact CG2-CG2 3.74Å
89A98.8Very high98Very high0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-64.6-39.8178.500000111.9G85 S86 V87 T93 L100 L102 L135G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.77Å; S86-A89 PolarHBondContact O-N 2.99Å; V87-A89 PolarHBondContact O-N 2.94Å; A89-T93 VanDerWaalsContact O-CB 3.23Å; A89-T93 WeakPolarHBondContact O-CB 3.31Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 2.96Å; A89-L100 HydrophobicContact CB-CD1 4.36Å; A89-L102 HydrophobicContact CB-CD2 4.14Å; A89-L135 HydrophobicContact CB-CD1 3.78Å
90E98.8Very high98Very high45 Ų4516.1 Ų16.121%0.218%0.083CC..Hα-helixtrans-62-49.4174.9-174.1-179.2167.900112.2S86 V87 L92 T93 R94 F117 L135 I138S86-E90 PolarHBondContact O-N 2.97Å; V87-E90 PolarHBondContact O-N 3.05Å; E90-L92 PolarHBondContact O-N 3.13Å; E90-T93 WeakPolarHBondContact O-CB 3.4Å; E90-T93 PolarHBondContact O-N 3.04Å; E90-R94 HydrophobicContact CG-CG 4.46Å; E90-R94 WeakPolarHBondContact O-CG 3.24Å; E90-R94 PolarHBondContact O-N 2.82Å; E90-R94 IonicContact OE1-CZ 3.46Å; E90-R94 IonicContact OE1-NE 3.14Å; E90-R94 PolarHBondContact OE1-NE 2.94Å; E90-R94 IonicContact OE1-NH2 2.78Å; E90-R94 PolarHBondContact OE1-NH2 2.76Å; E90-F117 HydrophobicContact CB-CD2 4.02Å; E90-F117 HydrophobicContact CB-CE2 4.05Å; E90-F117 WeakPolarHBondContact OE2-CD2 3.32Å; E90-L135 VanDerWaalsContact CA-CD2 3.47Å; E90-L135 HydrophobicContact CB-CD2 4.01Å; E90-L135 HydrophobicContact CG-CD2 4.42Å; E90-I138 HydrophobicContact CG-CD1 4.08Å
91M98.9Very high98.1Very high67 Ų6715.8 Ų15.833%0.338%0.08SC..Hα-helixtrans-60.5-47.2179.7-72.9178.1172.900111.3V87 T88 T93 R94 C95 V266V87-M91 HydrophobicContact CG1-CE 3.74Å; V87-M91 HydrophobicContact CG1-CG 4.37Å; V87-M91 HydrophobicContact CG1-SD 4.15Å; V87-M91 WeakPolarHBondContact O-CB 3.35Å; V87-M91 WeakPolarHBondContact O-CG 3.25Å; V87-M91 PolarHBondContact O-N 3.37Å; T88-M91 PolarHBondContact O-N 3.29Å; M91-T93 VanDerWaalsContact C-N 3.32Å; M91-T93 PolarHBondContact O-N 3.01Å; M91-R94 PolarHBondContact O-N 3.09Å; M91-C95 PolarHBondContact O-N 2.87Å; M91-C95 PolarHBondContact O-SG 2.77Å; M91-V266 HydrophobicContact CB-CB 4.3Å; M91-V266 HydrophobicContact CB-CG1 4.01Å; M91-V266 HydrophobicContact CB-CG2 4.01Å; M91-V266 HydrophobicContact SD-CB 4.34Å; M91-V266 HydrophobicContact SD-CG2 4.32Å
92L98.9Very high98.2Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-62.2-39176.3-72170.8000112.4V76 T88 E90 C95 G96 I97 L100 L179 V266 V269V76-L92 HydrophobicContact CB-CD1 4.46Å; V76-L92 HydrophobicContact CG1-CD1 4.07Å; T88-L92 HydrophobicContact CG2-CD1 4.14Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.48Å; E90-L92 PolarHBondContact O-N 3.13Å; L92-C95 PolarHBondContact O-N 3.22Å; L92-G96 PolarHBondContact O-N 2.85Å; L92-I97 HydrophobicContact CB-CB 4.32Å; L92-I97 HydrophobicContact CB-CG2 4.06Å; L92-I97 WeakPolarHBondContact O-CB 3.38Å; L92-I97 WeakPolarHBondContact O-CG2 3.46Å; L92-I97 PolarHBondContact O-N 2.86Å; L92-I97 VanDerWaalsContact O-N 3.13Å; L92-L100 HydrophobicContact CB-CD1 4.33Å; L92-L100 HydrophobicContact CB-CD2 4.23Å; L92-L100 HydrophobicContact CD1-CD2 4Å; L92-L179 HydrophobicContact CD1-CD1 3.85Å; L92-V266 HydrophobicContact CD2-CG1 3.88Å; L92-V266 HydrophobicContact CG-CG1 4.15Å; L92-V266 HydrophobicContact CG-CG2 4.12Å; L92-V269 HydrophobicContact CD2-CG1 3.98Å
93T98.8Very high98.4Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-62.3-45175.7-64.10000111.3A89 E90 M91 C95 G96 L100 L135 I138 N139 V142 F144A89-T93 VanDerWaalsContact O-CB 3.23Å; A89-T93 WeakPolarHBondContact O-CB 3.31Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 2.96Å; E90-T93 WeakPolarHBondContact O-CB 3.4Å; E90-T93 PolarHBondContact O-N 3.04Å; M91-T93 VanDerWaalsContact C-N 3.32Å; M91-T93 PolarHBondContact O-N 3.01Å; T93-C95 VanDerWaalsContact C-N 3.32Å; T93-C95 PolarHBondContact O-N 2.94Å; T93-G96 PolarHBondContact O-N 2.82Å; T93-L100 VanDerWaalsContact OG1-CD1 3.3Å; T93-L100 WeakPolarHBondContact OG1-CD1 3.47Å; T93-L135 HydrophobicContact CG2-CB 4.16Å; T93-L135 HydrophobicContact CG2-CD2 4.22Å; T93-L135 WeakPolarHBondContact CG2-O 3.21Å; T93-I138 HydrophobicContact CG2-CB 4.38Å; T93-I138 HydrophobicContact CG2-CG2 4.1Å; T93-N139 HydrophobicContact CG2-CB 3.61Å; T93-N139 WeakPolarHBondContact O-CB 3.36Å; T93-N139 PolarHBondContact O-ND2 3Å; T93-V142 HydrophobicContact CG2-CG2 4.13Å; T93-F144 HydrophobicContact CG2-CZ 3.96Å
94R98.6Very high98.6Very high130 Ų13015.4 Ų15.449%0.4917%0.072SC..Hα-helixtrans-66.8-32.2176.9-70.4179.3-177.1-72.2-0.4112.5L56 E90 M91 G96 I138L56-R94 WeakPolarHBondContact CD1-O 3.31Å; E90-R94 HydrophobicContact CG-CG 4.46Å; E90-R94 WeakPolarHBondContact O-CG 3.24Å; E90-R94 PolarHBondContact O-N 2.82Å; E90-R94 IonicContact OE1-CZ 3.46Å; E90-R94 IonicContact OE1-NE 3.14Å; E90-R94 PolarHBondContact OE1-NE 2.94Å; E90-R94 IonicContact OE1-NH2 2.78Å; E90-R94 PolarHBondContact OE1-NH2 2.76Å; M91-R94 PolarHBondContact O-N 3.09Å; R94-G96 PolarHBondContact O-N 2.8Å; R94-I138 HydrophobicContact CG-CG2 3.7Å
95C98.4Very high98.5Very high17 Ų1720 Ų2012%0.1159%0.089CC..Hα-helixtrans-69-16.3171.5-690000113.5I71 M91 L92 T93 L270I71-C95 WeakPolarHBondContact CG2-O 3.46Å; M91-C95 PolarHBondContact O-N 2.87Å; M91-C95 PolarHBondContact O-SG 2.77Å; L92-C95 PolarHBondContact O-N 3.22Å; T93-C95 VanDerWaalsContact C-N 3.32Å; T93-C95 PolarHBondContact O-N 2.94Å; C95-L270 HydrophobicContact CB-CD2 4.46Å
96G98.1Very high98.4Very high1 Ų122.4 Ų22.41%0.0110%0.102CC..THydrogen-bonded Turntrans81.236.9-17900000113.4R72 L92 T93 R94R72-G96 VanDerWaalsContact CG-O 3.24Å; R72-G96 WeakPolarHBondContact CG-O 3.32Å; L92-G96 PolarHBondContact O-N 2.85Å; T93-G96 PolarHBondContact O-N 2.82Å; R94-G96 PolarHBondContact O-N 2.8Å
97I98.6Very high98.3Very high1 Ų128.6 Ų28.61%0.00513%0.129CC..  trans-52.6145.3169.8-165.266.8000111I71 F74 V76 L92 L100 V142 L273I71-I97 HydrophobicContact CD1-CD1 3.74Å; I71-I97 HydrophobicContact CG1-CD1 4.21Å; F74-I97 HydrophobicContact CB-CD1 3.84Å; V76-I97 HydrophobicContact CG2-CD1 3.97Å; V76-I97 HydrophobicContact CG2-CG1 4.23Å; L92-I97 HydrophobicContact CB-CB 4.32Å; L92-I97 HydrophobicContact CB-CG2 4.06Å; L92-I97 WeakPolarHBondContact O-CB 3.38Å; L92-I97 WeakPolarHBondContact O-CG2 3.46Å; L92-I97 PolarHBondContact O-N 2.86Å; L92-I97 VanDerWaalsContact O-N 3.13Å; I97-L100 HydrophobicContact CG1-CD2 4.43Å; I97-L100 HydrophobicContact CG2-CD1 3.97Å; I97-L100 HydrophobicContact CG2-CD2 3.87Å; I97-L100 HydrophobicContact CG2-CG 3.59Å; I97-V142 HydrophobicContact CG2-CG1 3.83Å; I97-V142 HydrophobicContact CG2-CG2 4.45Å; I97-V142 WeakPolarHBondContact O-CG1 3.4Å; I97-V142 WeakPolarHBondContact O-CG2 3.42Å; I97-L273 HydrophobicContact CD1-CD1 4.29Å
98G98.5Very high98.1Very high7 Ų728.2 Ų28.27%0.07213%0.127CC..SBendtrans-64.1-52.1-177.200000113.3I71 R72 F74 A143I71-G98 PolarHBondContact O-N 3.3Å; R72-G98 WeakPolarHBondContact O-CA 3.32Å; F74-G98 VanDerWaalsContact O-CA 3.26Å; F74-G98 WeakPolarHBondContact O-CA 3.02Å; F74-G98 PolarHBondContact O-N 2.86Å; G98-A143 PolarHBondContact O-N 2.91Å
99K98.8Very high97.9Very high20 Ų2033.9 Ų33.99%0.08715%0.153CC..EExtended strand (participates in β ladder)trans-141.7140.9-179.4-171.9-178.5179.3-170.80112F74 A75 V76 L101 A143 E145 S167 G168 L169F74-K99 PolarHBondContact O-N 3.46Å; F74-K99 VanDerWaalsContact O-N 3.09Å; A75-K99 VanDerWaalsContact CA-O 3.31Å; A75-K99 WeakPolarHBondContact CA-O 3.34Å; A75-K99 HydrophobicContact CB-CB 3.87Å; V76-K99 PolarHBondContact N-O 3.06Å; K99-L101 HydrophobicContact CD-CD1 4.01Å; K99-L101 HydrophobicContact CG-CD1 4.04Å; K99-A143 CarbonylContact C-O 3.1Å; K99-A143 VanDerWaalsContact CA-O 3.25Å; K99-A143 WeakPolarHBondContact CA-O 3.19Å; K99-A143 HydrophobicContact CB-CB 4.05Å; K99-A143 HydrophobicContact CG-CB 3.87Å; K99-E145 WeakPolarHBondContact CE-OE2 3.39Å; K99-E145 IonicContact NZ-OE2 3.19Å; K99-E145 PolarHBondContact NZ-OE2 2.94Å; K99-S167 PolarHBondContact NZ-O 3.36Å; K99-G168 WeakPolarHBondContact CD-O 3.05Å; K99-G168 PolarHBondContact NZ-O 3.45Å; K99-L169 HydrophobicContact CB-CD1 4.04Å
100L98.9Very high97.5Very high0 Ų039.4 Ų39.40%018%0.182CC..EExtended strand (participates in β ladder)trans-117.6130.3169-71.7178.5000111.2V76 V78 A89 L92 T93 I97 L102 V142 A143 F144 E145V76-L100 HydrophobicContact CB-CD2 3.97Å; V76-L100 HydrophobicContact CG1-CD2 4.48Å; V76-L100 WeakPolarHBondContact O-CA 3.45Å; V78-L100 HydrophobicContact CG2-CD2 4.43Å; A89-L100 HydrophobicContact CB-CD1 4.36Å; L92-L100 HydrophobicContact CB-CD1 4.33Å; L92-L100 HydrophobicContact CB-CD2 4.23Å; L92-L100 HydrophobicContact CD1-CD2 4Å; T93-L100 VanDerWaalsContact OG1-CD1 3.3Å; T93-L100 WeakPolarHBondContact OG1-CD1 3.47Å; I97-L100 HydrophobicContact CG1-CD2 4.43Å; I97-L100 HydrophobicContact CG2-CD1 3.97Å; I97-L100 HydrophobicContact CG2-CD2 3.87Å; I97-L100 HydrophobicContact CG2-CG 3.59Å; L100-L102 HydrophobicContact CB-CD2 4.32Å; L100-V142 HydrophobicContact CG-CG1 4.34Å; L100-A143 PolarHBondContact N-O 3.29Å; L100-F144 HydrophobicContact CB-CD1 3.95Å; L100-F144 HydrophobicContact CB-CE1 4.07Å; L100-F144 HydrophobicContact CD1-CE1 3.85Å; L100-F144 HydrophobicContact CG-CE1 4.44Å; L100-F144 WeakPolarHBondContact O-CA 3.09Å; L100-E145 PolarHBondContact O-N 3.18Å
101L98.8Very high96.9Very high0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-104.4125168.9-68.777.4000108.3V76 A77 V78 K99 F103 E145 R163 S167 V175V76-L101 PolarHBondContact O-N 3Å; A77-L101 CarbonylContact C-O 3.55Å; A77-L101 WeakPolarHBondContact CA-O 3.5Å; A77-L101 HydrophobicContact CB-CB 4.03Å; V78-L101 PolarHBondContact N-O 2.94Å; K99-L101 HydrophobicContact CD-CD1 4.01Å; K99-L101 HydrophobicContact CG-CD1 4.04Å; L101-F103 HydrophobicContact CB-CE2 3.78Å; L101-F103 HydrophobicContact CB-CZ 4.4Å; L101-F103 HydrophobicContact CD2-CE2 4.4Å; L101-F103 HydrophobicContact CD2-CZ 4.36Å; L101-E145 CarbonylContact C-O 3.52Å; L101-E145 VanDerWaalsContact CA-O 3.27Å; L101-E145 WeakPolarHBondContact CA-O 3.36Å; L101-E145 HydrophobicContact CG-CB 4.25Å; L101-R163 HydrophobicContact CD2-CB 4.25Å; L101-S167 WeakPolarHBondContact CD1-O 3.41Å; L101-V175 HydrophobicContact CD1-CG1 3.86Å; L101-V175 HydrophobicContact CD2-CG1 4.14Å
102L98.8Very high96.4Very high0 Ų038.6 Ų38.60%019%0.191CC..EExtended strand (participates in β ladder)trans-115.3123.7-176.8-53.9-177.7000110.2V78 V81 A89 L100 V128 A131 L135 E145 T146 H147V78-L102 HydrophobicContact CB-CD2 3.98Å; V78-L102 HydrophobicContact CG2-CD2 4.28Å; V81-L102 HydrophobicContact CG2-CB 4.06Å; V81-L102 HydrophobicContact CG2-CD2 4.42Å; A89-L102 HydrophobicContact CB-CD2 4.14Å; L100-L102 HydrophobicContact CB-CD2 4.32Å; L102-V128 HydrophobicContact CB-CB 4.42Å; L102-V128 HydrophobicContact CB-CG1 4.13Å; L102-A131 HydrophobicContact CD1-CB 4.13Å; L102-L135 HydrophobicContact CD1-CD1 4.13Å; L102-E145 PolarHBondContact N-O 2.65Å; L102-T146 HydrophobicContact CB-CG2 4.2Å; L102-T146 HydrophobicContact CD1-CG2 4.26Å; L102-T146 WeakPolarHBondContact O-CA 3.44Å; L102-H147 PolarHBondContact O-N 2.99Å
103F98.8Very high96Very high2 Ų241.1 Ų41.11%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-119.3118.2176.2-59.3-93.7000109.7A77 V78 V79 G80 L101 H147 Y149 I151 F160 R163A77-F103 HydrophobicContact CB-CE2 4.15Å; V78-F103 PolarHBondContact O-N 3.2Å; V79-F103 HydrophobicContact CG1-CB 4.17Å; V79-F103 HydrophobicContact CG2-CB 4.41Å; V79-F103 HydrophobicContact CG2-CD2 4.22Å; G80-F103 PolarHBondContact N-O 3.18Å; L101-F103 HydrophobicContact CB-CE2 3.78Å; L101-F103 HydrophobicContact CB-CZ 4.4Å; L101-F103 HydrophobicContact CD2-CE2 4.4Å; L101-F103 HydrophobicContact CD2-CZ 4.36Å; F103-H147 HydrophobicContact CD1-CB 3.4Å; F103-H147 VanDerWaalsContact CD1-CB 3.4Å; F103-H147 AromaticContact CD1-CD2 3.87Å; F103-H147 AromaticContact CD1-CG 3.89Å; F103-H147 HydrophobicContact CE1-CB 3.63Å; F103-H147 AromaticContact CE1-CD2 3.21Å; F103-H147 WeakPolarHBondContact CE1-CD2 3.41Å; F103-H147 AromaticContact CE1-CG 3.54Å; F103-H147 HydrophobicContact CG-CB 4.25Å; F103-H147 AromaticContact CZ-CD2 3.52Å; F103-Y149 HydrophobicContact CD1-CE2 4.28Å; F103-Y149 AromaticContact CD1-CZ 3.96Å; F103-Y149 WeakPolarHBondContact CE1-OH 3.45Å; F103-I151 HydrophobicContact CB-CG2 4.26Å; F103-I151 HydrophobicContact CD1-CG2 4.29Å; F103-F160 AromaticContact CD1-CD2 3.92Å; F103-F160 HydrophobicContact CD1-CD2 3.92Å; F103-F160 HydrophobicContact CD1-CE2 4.47Å; F103-F160 HydrophobicContact CD2-CD2 4.36Å; F103-F160 HydrophobicContact CD2-CE2 4.17Å; F103-F160 AromaticContact CE1-CD2 3.82Å; F103-F160 HydrophobicContact CE1-CD2 3.82Å; F103-F160 HydrophobicContact CE2-CD2 4.25Å; F103-F160 HydrophobicContact CE2-CE2 4.21Å; F103-F160 HydrophobicContact CG-CD2 4.21Å; F103-F160 HydrophobicContact CG-CE2 4.31Å; F103-F160 AromaticContact CZ-CD2 3.99Å; F103-F160 HydrophobicContact CZ-CD2 3.99Å; F103-F160 HydrophobicContact CZ-CE2 4.4Å; F103-R163 HydrophobicContact CZ-CB 3.99Å
104D98.3Very high95.1Very high11 Ų1144.6 Ų44.66%0.05922%0.222CC..  trans-157.8144.3171.2-158.6-50.9000108V81 D106 K127 V128 H147 N148V81-D104 WeakPolarHBondContact CA-OD2 3.29Å; V81-D104 HydrophobicContact CB-CB 4.25Å; V81-D104 HydrophobicContact CG2-CB 4.12Å; V81-D104 PolarHBondContact N-OD2 3.15Å; D104-D106 WeakPolarHBondContact OD1-CB 3.41Å; D104-D106 PolarHBondContact OD1-N 2.96Å; D104-K127 HydrophobicContact CB-CB 4.3Å; D104-V128 HydrophobicContact CB-CG1 3.62Å; D104-H147 PolarHBondContact N-O 2.73Å; D104-N148 VanDerWaalsContact O-CA 3.27Å; D104-N148 WeakPolarHBondContact O-CA 3.3Å; D104-N148 PolarHBondContact O-OD1 2.88Å
105Y95.9Very high94.5Very high110 Ų11041.7 Ų41.743%0.43121%0.211SC..  trans-104-9.1179.566.6-95.9000113.1Y149 N150Y105-Y149 VanDerWaalsContact CB-C 3.48Å; Y105-N150 HydrophobicContact CD1-CB 4Å; Y105-N150 HydrophobicContact CG-CB 4.1Å
106D95.6Very high93.8Very high51 Ų5144.9 Ų44.927%0.27323%0.226SC..PPolyproline II helixtrans-84164.4-175.5-75.9-23.9000112.5D104 K127D104-D106 WeakPolarHBondContact OD1-CB 3.41Å; D104-D106 PolarHBondContact OD1-N 2.96Å; D106-K127 HydrophobicContact CB-CD 3.75Å; D106-K127 VanDerWaalsContact CB-CE 3.43Å; D106-K127 HydrophobicContact CB-CG 4.29Å; D106-K127 PolarHBondContact O-N 3.34Å; D106-K127 IonicContact OD2-NZ 2.81Å; D106-K127 PolarHBondContact OD2-NZ 3.47Å
107K95.9Very high93.7Very high129 Ų12946 Ų4656%0.56123%0.231SC*.BIsolated β-bridgetrans-100.8159.5168.2-65.9-178.3176.3-170.90111.3E109 L125 K127K107-E109 PolarHBondContact O-N 2.98Å; K107-L125 CarbonylContact C-O 3.53Å; K107-L125 VanDerWaalsContact CA-O 3.22Å; K107-L125 WeakPolarHBondContact CA-O 3.5Å; K107-L125 WeakPolarHBondContact CB-O 3.46Å; K107-K127 WeakPolarHBondContact O-CE 3.43Å
108V95.6Very high93.6Very high2 Ų246.9 Ų46.91%0.01224%0.235CC..PPolyproline II helixtrans-71.8126.6170.6-178.50000108.7M113 F118 Q122 A123 G124 L125 K127 A130V108-M113 HydrophobicContact CG1-CE 3.97Å; V108-F118 HydrophobicContact CG1-CB 3.98Å; V108-F118 HydrophobicContact CG1-CD1 4.4Å; V108-F118 HydrophobicContact CG1-CG 4.18Å; V108-F118 HydrophobicContact CG2-CD1 3.59Å; V108-F118 HydrophobicContact CG2-CE1 3.76Å; V108-F118 HydrophobicContact CG2-CG 4.05Å; V108-F118 HydrophobicContact CG2-CZ 4.35Å; V108-Q122 HydrophobicContact CG1-CB 4.4Å; V108-A123 WeakPolarHBondContact O-CA 3.35Å; V108-G124 PolarHBondContact O-N 2.89Å; V108-L125 PolarHBondContact N-O 3.43Å; V108-K127 HydrophobicContact CG2-CG 4.11Å; V108-A130 HydrophobicContact CG2-CB 3.88Å
109E93.1Very high93.5Very high118 Ų11851.2 Ų51.255%0.55125%0.253SS*.  trans-117.9154.1174.7-62.1-173.2162.600111K107 A111 N112K107-E109 PolarHBondContact O-N 2.98Å; E109-A111 PolarHBondContact O-N 3.32Å; E109-N112 PolarHBondContact N-OD1 2.92Å; E109-N112 VanDerWaalsContact O-CB 3.3Å; E109-N112 WeakPolarHBondContact O-CB 3.26Å; E109-N112 PolarHBondContact O-N 3.03Å; E109-N112 PolarHBondContact O-OD1 2.91Å
110L90.7Very high93.3Very high117 Ų11754.4 Ų54.461%0.61328%0.276SS*.G310 helixtrans-61-27.8174.4-71.1177.5000112.4N112 M113 P120 A123L110-N112 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact O-N 3.15Å; L110-M113 HydrophobicContact CD2-CG 4.28Å; L110-M113 WeakPolarHBondContact O-CB 3.29Å; L110-M113 WeakPolarHBondContact O-CG 3.42Å; L110-M113 PolarHBondContact O-N 3.46Å; L110-M113 VanDerWaalsContact O-N 3.09Å; L110-P120 HydrophobicContact CD2-CB 4.23Å; L110-A123 HydrophobicContact CD2-CB 4.26Å; L110-A123 HydrophobicContact CG-CB 4.36Å
111A87.3Confident93.1Very high72 Ų7261 Ų6160%0.59531%0.307SS*.G310 helixtrans-62.1-16.6172.900000113E109 N114E109-A111 PolarHBondContact O-N 3.32Å; A111-N114 PolarHBondContact O-OD1 2.96Å
112N88.7Confident92.9Very high22 Ų2261.4 Ų61.412%0.11831%0.308CS..G310 helixtrans-85.5-7.2176.9-50.2145.9000113.2E109 L110 N114 R115E109-N112 PolarHBondContact N-OD1 2.92Å; E109-N112 VanDerWaalsContact O-CB 3.3Å; E109-N112 WeakPolarHBondContact O-CB 3.26Å; E109-N112 PolarHBondContact O-N 3.03Å; E109-N112 PolarHBondContact O-OD1 2.91Å; L110-N112 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact O-N 3.15Å; N112-N114 PolarHBondContact O-N 2.78Å; N112-R115 VanDerWaalsContact O-CB 3.3Å; N112-R115 WeakPolarHBondContact O-CB 3.44Å; N112-R115 PolarHBondContact O-N 2.85Å
113M89Confident92.8Very high54 Ų5463.6 Ų63.627%0.26633%0.326SS..THydrogen-bonded Turntrans-71.9-7.7-174.8-61.3-64.7108.500114.4V108 L110 R115 F118 Q119 P120V108-M113 HydrophobicContact CG1-CE 3.97Å; L110-M113 HydrophobicContact CD2-CG 4.28Å; L110-M113 WeakPolarHBondContact O-CB 3.29Å; L110-M113 WeakPolarHBondContact O-CG 3.42Å; L110-M113 PolarHBondContact O-N 3.46Å; L110-M113 VanDerWaalsContact O-N 3.09Å; M113-R115 PolarHBondContact O-N 3Å; M113-F118 HydrophobicContact CE-CB 3.77Å; M113-Q119 VanDerWaalsContact SD-C 3.5Å; M113-P120 HydrophobicContact CG-CG 4.46Å; M113-P120 HydrophobicContact SD-CB 4.34Å; M113-P120 HydrophobicContact SD-CG 3.81Å; M113-P120 VanDerWaalsContact SD-N 3.39Å
114N80.2Confident92.6Very high72 Ų7265.7 Ų65.739%0.38535%0.349SS..THydrogen-bonded Turntrans-76.3-9.116873.4-55.7000112.5A111 N112 S253 P255A111-N114 PolarHBondContact O-OD1 2.96Å; N112-N114 PolarHBondContact O-N 2.78Å; N114-S253 PolarHBondContact ND2-O 3.25Å; N114-S253 VanDerWaalsContact ND2-O 3.14Å; N114-S253 PolarHBondContact ND2-OG 2.77Å; N114-P255 WeakPolarHBondContact O-CG 3.42Å
115R85.8Confident92.4Very high69 Ų6969.1 Ų69.126%0.2637%0.366SS..SBendtrans-102.5165.8177.5-51.1175.9-175.7-179.8-3.7109.3N112 M113 S253 M258N112-R115 VanDerWaalsContact O-CB 3.3Å; N112-R115 WeakPolarHBondContact O-CB 3.44Å; N112-R115 PolarHBondContact O-N 2.85Å; M113-R115 PolarHBondContact O-N 3Å; R115-S253 PolarHBondContact NE-OG 2.97Å; R115-M258 HydrophobicContact CB-SD 4.27Å; R115-M258 HydrophobicContact CG-CE 4.34Å; R115-M258 HydrophobicContact CG-SD 3.77Å
116L85.4Confident92.5Very high84 Ų8464 Ų6444%0.4435%0.347SS..SBendtrans-74.3173.3178-61172.7000111V87 F118 P255V87-L116 HydrophobicContact CG2-CB 3.73Å; V87-L116 HydrophobicContact CG2-CD1 4.02Å; V87-L116 HydrophobicContact CG2-CG 4.48Å; L116-F118 PolarHBondContact O-N 3.41Å; L116-P255 HydrophobicContact CD2-CB 4.44Å; L116-P255 HydrophobicContact CG-CB 4.14Å
117F96.1Very high92.6Very high25 Ų2562.1 Ų62.111%0.1134%0.336CS..SBendtrans80.2-69.9170.3-170.6-94.1000117.2S86 E90 A131 T134 L135S86-F117 WeakPolarHBondContact OG-CB 3.36Å; E90-F117 HydrophobicContact CB-CD2 4.02Å; E90-F117 HydrophobicContact CB-CE2 4.05Å; E90-F117 WeakPolarHBondContact OE2-CD2 3.32Å; F117-A131 HydrophobicContact CE1-CB 3.68Å; F117-A131 HydrophobicContact CZ-CB 3.87Å; F117-T134 HydrophobicContact CE2-CG2 4.18Å; F117-T134 HydrophobicContact CZ-CG2 4.14Å; F117-L135 HydrophobicContact CE2-CD2 3.62Å; F117-L135 HydrophobicContact CE2-CG 4.05Å; F117-L135 HydrophobicContact CZ-CD1 4.32Å; F117-L135 HydrophobicContact CZ-CD2 3.99Å; F117-L135 HydrophobicContact CZ-CG 3.88Å
118F96.5Very high92.7Very high19 Ų1956 Ų568%0.08331%0.31CS..  trans-71.1150-173.7-64.7-70000112.5V81 V108 M113 L116 K127 A130 A131V81-F118 HydrophobicContact CG1-CZ 4.15Å; V81-F118 VanDerWaalsContact O-CE2 3.24Å; V81-F118 WeakPolarHBondContact O-CE2 3.27Å; V81-F118 WeakPolarHBondContact O-CZ 3.35Å; V108-F118 HydrophobicContact CG1-CB 3.98Å; V108-F118 HydrophobicContact CG1-CD1 4.4Å; V108-F118 HydrophobicContact CG1-CG 4.18Å; V108-F118 HydrophobicContact CG2-CD1 3.59Å; V108-F118 HydrophobicContact CG2-CE1 3.76Å; V108-F118 HydrophobicContact CG2-CG 4.05Å; V108-F118 HydrophobicContact CG2-CZ 4.35Å; M113-F118 HydrophobicContact CE-CB 3.77Å; L116-F118 PolarHBondContact O-N 3.41Å; F118-K127 HydrophobicContact CE1-CB 4.45Å; F118-K127 HydrophobicContact CE2-CD 4.46Å; F118-K127 HydrophobicContact CE2-CG 4.3Å; F118-K127 HydrophobicContact CZ-CB 3.86Å; F118-K127 HydrophobicContact CZ-CG 4Å; F118-A130 HydrophobicContact CD1-CB 4.09Å; F118-A130 HydrophobicContact CE1-CB 3.92Å; F118-A131 HydrophobicContact CE1-CB 4.29Å
119Q95.1Very high92.7Very high98 Ų9860.8 Ų60.846%0.45833%0.332SS..  trans-113.3154.6-178.5-59.7-1689.400112.5M113 H121 Q122M113-Q119 VanDerWaalsContact SD-C 3.5Å; Q119-H121 PolarHBondContact O-N 2.91Å; Q119-H121 VanDerWaalsContact O-N 3.11Å; Q119-H121 PolarHBondContact OE1-CE1 3.16Å; Q119-H121 PolarHBondContact OE1-ND1 3.48Å; Q119-Q122 HydrophobicContact CB-CG 4.41Å; Q119-Q122 WeakPolarHBondContact O-CB 3.47Å; Q119-Q122 PolarHBondContact O-N 3.37Å
120P95.3Very high92.9Very high87 Ų8755.2 Ų55.257%0.56531%0.306SS*.G310 helixtrans-57.2-33.2-175.7-28.235.2000114.4L110 M113 Q122 A123L110-P120 HydrophobicContact CD2-CB 4.23Å; M113-P120 HydrophobicContact CG-CG 4.46Å; M113-P120 HydrophobicContact SD-CB 4.34Å; M113-P120 HydrophobicContact SD-CG 3.81Å; M113-P120 VanDerWaalsContact SD-N 3.39Å; P120-Q122 PolarHBondContact O-N 2.98Å; P120-A123 WeakPolarHBondContact O-CB 3.29Å; P120-A123 PolarHBondContact O-N 3.19Å
121H94.6Very high93.2Very high140 Ų14049.6 Ų49.665%0.64828%0.277SS*.G310 helixtrans-71.8-12.1-179.772.7-102.3000113.6Q119Q119-H121 PolarHBondContact O-N 2.91Å; Q119-H121 VanDerWaalsContact O-N 3.11Å; Q119-H121 PolarHBondContact OE1-CE1 3.16Å; Q119-H121 PolarHBondContact OE1-ND1 3.48Å
122Q94.9Very high93.7Very high8 Ų848.1 Ų48.14%0.03726%0.257CS..G310 helixtrans-90.5-4.6179-59.6174.9-42.100112.4V108 Q119 P120 G124 L125 A130 T134V108-Q122 HydrophobicContact CG1-CB 4.4Å; Q119-Q122 HydrophobicContact CB-CG 4.41Å; Q119-Q122 WeakPolarHBondContact O-CB 3.47Å; Q119-Q122 PolarHBondContact O-N 3.37Å; P120-Q122 PolarHBondContact O-N 2.98Å; Q122-G124 PolarHBondContact O-N 3.27Å; Q122-L125 HydrophobicContact CB-CD1 4.31Å; Q122-L125 WeakPolarHBondContact O-CB 3.32Å; Q122-L125 WeakPolarHBondContact O-CG 3.45Å; Q122-L125 PolarHBondContact O-N 3.25Å; Q122-L125 VanDerWaalsContact O-N 3.13Å; Q122-A130 HydrophobicContact CB-CB 4.19Å; Q122-T134 PolarHBondContact NE2-OG1 3.24Å
123A95.6Very high94.1Very high45 Ų4550.8 Ų50.837%0.37227%0.269SS..THydrogen-bonded Turntrans-55.3130.3179.700000111.5V108 L110 P120V108-A123 WeakPolarHBondContact O-CA 3.35Å; L110-A123 HydrophobicContact CD2-CB 4.26Å; L110-A123 HydrophobicContact CG-CB 4.36Å; P120-A123 WeakPolarHBondContact O-CB 3.29Å; P120-A123 PolarHBondContact O-N 3.19Å
124G94.4Very high94.5Very high47 Ų4749.5 Ų49.549%0.48526%0.264SS..THydrogen-bonded Turntrans94.8-16.1-177.700000115.5V108 Q122V108-G124 PolarHBondContact O-N 2.89Å; Q122-G124 PolarHBondContact O-N 3.27Å
125L94.7Very high95.3Very high82 Ų8246.1 Ų46.143%0.42925%0.246SC..SBendtrans-72.9156.5168.7-60.6178.7000110.4K107 V108 Q122 A130K107-L125 CarbonylContact C-O 3.53Å; K107-L125 VanDerWaalsContact CA-O 3.22Å; K107-L125 WeakPolarHBondContact CA-O 3.5Å; K107-L125 WeakPolarHBondContact CB-O 3.46Å; V108-L125 PolarHBondContact N-O 3.43Å; Q122-L125 HydrophobicContact CB-CD1 4.31Å; Q122-L125 WeakPolarHBondContact O-CB 3.32Å; Q122-L125 WeakPolarHBondContact O-CG 3.45Å; Q122-L125 PolarHBondContact O-N 3.25Å; Q122-L125 VanDerWaalsContact O-N 3.13Å; L125-A130 HydrophobicContact CB-CB 4.17Å; L125-A130 HydrophobicContact CD1-CB 4.3Å
126S97.8Very high95.9Very high3 Ų346.8 Ų46.82%0.02125%0.248CC..BIsolated β-bridgetrans-64.7147.6167.273.50000110V128 E129 A130 N148S126-V128 VanDerWaalsContact C-N 3.26Å; S126-V128 PolarHBondContact O-N 3.39Å; S126-E129 WeakPolarHBondContact CB-OE2 3.3Å; S126-E129 PolarHBondContact N-OE2 3.17Å; S126-E129 PolarHBondContact O-N 3.26Å; S126-E129 VanDerWaalsContact OG-CB 3.24Å; S126-E129 WeakPolarHBondContact OG-CB 3.34Å; S126-E129 WeakPolarHBondContact OG-CG 3.27Å; S126-E129 PolarHBondContact OG-N 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.45Å; S126-A130 WeakPolarHBondContact O-CB 3.42Å; S126-A130 PolarHBondContact O-N 3.32Å; S126-N148 WeakPolarHBondContact CB-ND2 3.23Å
127K97.9Very high96.4Very high11 Ų1145.6 Ų45.65%0.04824%0.242CC..Hα-helixtrans-59.9-39.5179.8-73.5-177.1-173.2159.10111.6D104 D106 K107 V108 F118 A131D104-K127 HydrophobicContact CB-CB 4.3Å; D106-K127 HydrophobicContact CB-CD 3.75Å; D106-K127 VanDerWaalsContact CB-CE 3.43Å; D106-K127 HydrophobicContact CB-CG 4.29Å; D106-K127 PolarHBondContact O-N 3.34Å; D106-K127 IonicContact OD2-NZ 2.81Å; D106-K127 PolarHBondContact OD2-NZ 3.47Å; K107-K127 WeakPolarHBondContact O-CE 3.43Å; V108-K127 HydrophobicContact CG2-CG 4.11Å; F118-K127 HydrophobicContact CE1-CB 4.45Å; F118-K127 HydrophobicContact CE2-CD 4.46Å; F118-K127 HydrophobicContact CE2-CG 4.3Å; F118-K127 HydrophobicContact CZ-CB 3.86Å; F118-K127 HydrophobicContact CZ-CG 4Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 3.31Å
128V97.9Very high96.4Very high1 Ų146.2 Ų46.21%0.00625%0.246CC..Hα-helixtrans-68.1-40.9-179.9-60.20000112.6V81 L102 D104 S126 A131 E132 T146 N148V81-V128 HydrophobicContact CG2-CG1 4.22Å; L102-V128 HydrophobicContact CB-CB 4.42Å; L102-V128 HydrophobicContact CB-CG1 4.13Å; D104-V128 HydrophobicContact CB-CG1 3.62Å; S126-V128 VanDerWaalsContact C-N 3.26Å; S126-V128 PolarHBondContact O-N 3.39Å; V128-A131 PolarHBondContact O-N 3.03Å; V128-E132 WeakPolarHBondContact O-CB 3.33Å; V128-E132 PolarHBondContact O-N 3.39Å; V128-T146 HydrophobicContact CB-CG2 4.11Å; V128-N148 HydrophobicContact CG2-CB 3.75Å
129E95.7Very high96.4Very high103 Ų10345.3 Ų45.348%0.48124%0.242SC..Hα-helixtrans-67.6-44.6177.2-70.8163150.900111.5S126 A131 E132 H133S126-E129 WeakPolarHBondContact CB-OE2 3.3Å; S126-E129 PolarHBondContact N-OE2 3.17Å; S126-E129 PolarHBondContact O-N 3.26Å; S126-E129 VanDerWaalsContact OG-CB 3.24Å; S126-E129 WeakPolarHBondContact OG-CB 3.34Å; S126-E129 WeakPolarHBondContact OG-CG 3.27Å; S126-E129 PolarHBondContact OG-N 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.45Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 3.27Å; E129-E132 PolarHBondContact O-N 3.42Å; E129-H133 PolarHBondContact O-N 3.4Å; E129-H133 VanDerWaalsContact O-N 3.08Å
130A96.9Very high96.5Very high0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-63.4-38.9177.300000111.8V108 F118 Q122 L125 S126 T134V108-A130 HydrophobicContact CG2-CB 3.88Å; F118-A130 HydrophobicContact CD1-CB 4.09Å; F118-A130 HydrophobicContact CE1-CB 3.92Å; Q122-A130 HydrophobicContact CB-CB 4.19Å; L125-A130 HydrophobicContact CB-CB 4.17Å; L125-A130 HydrophobicContact CD1-CB 4.3Å; S126-A130 WeakPolarHBondContact O-CB 3.42Å; S126-A130 PolarHBondContact O-N 3.32Å; A130-T134 PolarHBondContact O-N 3.09Å; A130-T134 PolarHBondContact O-OG1 3.44Å
131A97.9Very high96.6Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-67.3-49.417600000111.8V81 L102 F117 F118 K127 V128 E129 H133 T134 L135V81-A131 HydrophobicContact CG1-CB 3.76Å; L102-A131 HydrophobicContact CD1-CB 4.13Å; F117-A131 HydrophobicContact CE1-CB 3.68Å; F117-A131 HydrophobicContact CZ-CB 3.87Å; F118-A131 HydrophobicContact CE1-CB 4.29Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 3.31Å; V128-A131 PolarHBondContact O-N 3.03Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 3.27Å; A131-H133 VanDerWaalsContact C-N 3.33Å; A131-H133 PolarHBondContact O-N 3.17Å; A131-T134 PolarHBondContact O-N 3.16Å; A131-L135 HydrophobicContact CB-CD1 4.34Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.49Å
132E98.1Very high96.8Very high41 Ų4132.1 Ų32.119%0.19218%0.177CC..Hα-helixtrans-55.2-47.5178.3178.8-177.3-158.700112V128 E129 T134 L135 R136 F144 T146V128-E132 WeakPolarHBondContact O-CB 3.33Å; V128-E132 PolarHBondContact O-N 3.39Å; E129-E132 PolarHBondContact O-N 3.42Å; E132-T134 PolarHBondContact O-N 3.36Å; E132-L135 PolarHBondContact O-N 2.87Å; E132-R136 HydrophobicContact CG-CG 4.17Å; E132-R136 VanDerWaalsContact CG-NE 3.31Å; E132-R136 VanDerWaalsContact O-CB 3.32Å; E132-R136 WeakPolarHBondContact O-CB 3.34Å; E132-R136 VanDerWaalsContact O-CG 3.27Å; E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.92Å; E132-R136 IonicContact OE1-CZ 3.75Å; E132-R136 IonicContact OE1-NE 2.76Å; E132-R136 PolarHBondContact OE1-NE 3.3Å; E132-R136 IonicContact OE1-NH2 3.85Å; E132-R136 PolarHBondContact OE1-NH2 2.93Å; E132-F144 HydrophobicContact CG-CB 3.98Å; E132-F144 HydrophobicContact CG-CG 4.37Å; E132-T146 HydrophobicContact CB-CG2 3.71Å; E132-T146 HydrophobicContact CG-CG2 4.17Å
133H96.1Very high96.9Very high78 Ų7833.7 Ų33.736%0.36119%0.191SC..Hα-helixtrans-58.4-50.5178.5-175175000110.8E32 E129 A131 L135 R136 N137E32-H133 IonicContact OE1-CE1 3.99Å; E32-H133 PolarHBondContact OE1-CE1 3.36Å; E32-H133 IonicContact OE1-NE2 3.79Å; E32-H133 PolarHBondContact OE1-NE2 3.04Å; E32-H133 IonicContact OE2-NE2 3.16Å; E129-H133 PolarHBondContact O-N 3.4Å; E129-H133 VanDerWaalsContact O-N 3.08Å; A131-H133 VanDerWaalsContact C-N 3.33Å; A131-H133 PolarHBondContact O-N 3.17Å; H133-L135 PolarHBondContact O-N 3.38Å; H133-R136 PolarHBondContact O-N 3.48Å; H133-N137 PolarHBondContact CD2-ND2 2.81Å; H133-N137 PolarHBondContact NE2-ND2 2.7Å; H133-N137 PolarHBondContact O-N 2.88Å; H133-N137 PolarHBondContact O-ND2 3.42Å
134T97.4Very high97.1Very high27 Ų2732.3 Ų32.317%0.16618%0.177CC..Hα-helixtrans-60.3-45.9179.9-520000111.7F117 Q122 A130 A131 E132 N137 I138F117-T134 HydrophobicContact CE2-CG2 4.18Å; F117-T134 HydrophobicContact CZ-CG2 4.14Å; Q122-T134 PolarHBondContact NE2-OG1 3.24Å; A130-T134 PolarHBondContact O-N 3.09Å; A130-T134 PolarHBondContact O-OG1 3.44Å; A131-T134 PolarHBondContact O-N 3.16Å; E132-T134 PolarHBondContact O-N 3.36Å; T134-N137 PolarHBondContact O-N 3.25Å; T134-I138 HydrophobicContact CG2-CD1 4.05Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 2.94Å; T134-I138 VanDerWaalsContact O-N 3.09Å
135L98.1Very high97.2Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-71.3-37-175.5-64.9171.6000112.5A89 E90 T93 L102 F117 A131 E132 H133 N137 I138 N139 F144A89-L135 HydrophobicContact CB-CD1 3.78Å; E90-L135 VanDerWaalsContact CA-CD2 3.47Å; E90-L135 HydrophobicContact CB-CD2 4.01Å; E90-L135 HydrophobicContact CG-CD2 4.42Å; T93-L135 HydrophobicContact CG2-CB 4.16Å; T93-L135 HydrophobicContact CG2-CD2 4.22Å; T93-L135 WeakPolarHBondContact CG2-O 3.21Å; L102-L135 HydrophobicContact CD1-CD1 4.13Å; F117-L135 HydrophobicContact CE2-CD2 3.62Å; F117-L135 HydrophobicContact CE2-CG 4.05Å; F117-L135 HydrophobicContact CZ-CD1 4.32Å; F117-L135 HydrophobicContact CZ-CD2 3.99Å; F117-L135 HydrophobicContact CZ-CG 3.88Å; A131-L135 HydrophobicContact CB-CD1 4.34Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.49Å; E132-L135 PolarHBondContact O-N 2.87Å; H133-L135 PolarHBondContact O-N 3.38Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.26Å; L135-I138 HydrophobicContact CD2-CD1 4.33Å; L135-I138 PolarHBondContact O-N 3.05Å; L135-I138 VanDerWaalsContact O-N 3.16Å; L135-N139 PolarHBondContact O-N 3.48Å; L135-F144 HydrophobicContact CB-CD1 4.46Å; L135-F144 HydrophobicContact CB-CE1 3.51Å; L135-F144 HydrophobicContact CB-CE2 4.28Å; L135-F144 HydrophobicContact CB-CZ 3.41Å; L135-F144 VanDerWaalsContact CB-CZ 3.41Å; L135-F144 HydrophobicContact CD1-CD1 4.48Å; L135-F144 HydrophobicContact CD1-CE1 3.75Å; L135-F144 HydrophobicContact CD1-CZ 4.47Å; L135-F144 HydrophobicContact CG-CE1 4.25Å
136R97.2Very high97.4Very high83 Ų8329.5 Ų29.531%0.31315%0.151SC..Hα-helixtrans-61.5-38.6173.5-76.4-177.3-176.9-73.35111.9E132 H133 N139 P140 F144E132-R136 HydrophobicContact CG-CG 4.17Å; E132-R136 VanDerWaalsContact CG-NE 3.31Å; E132-R136 VanDerWaalsContact O-CB 3.32Å; E132-R136 WeakPolarHBondContact O-CB 3.34Å; E132-R136 VanDerWaalsContact O-CG 3.27Å; E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.92Å; E132-R136 IonicContact OE1-CZ 3.75Å; E132-R136 IonicContact OE1-NE 2.76Å; E132-R136 PolarHBondContact OE1-NE 3.3Å; E132-R136 IonicContact OE1-NH2 3.85Å; E132-R136 PolarHBondContact OE1-NH2 2.93Å; H133-R136 PolarHBondContact O-N 3.48Å; R136-N139 CarbonylContact O-C 3.5Å; R136-P140 WeakPolarHBondContact O-CA 3.38Å; R136-F144 HydrophobicContact CG-CD2 3.48Å; R136-F144 VanDerWaalsContact CG-CD2 3.48Å; R136-F144 HydrophobicContact CG-CE2 3.74Å; R136-F144 HydrophobicContact CG-CG 4.35Å; R136-F144 PolarHBondContact NH2-O 3.01Å
137N95.5Very high97.5Very high59 Ų5930.6 Ų30.632%0.31616%0.156SC..Hα-helixtrans-69.6-34175-68.4-16.5000112N36 H133 T134 L135N36-N137 PolarHBondContact OD1-OD1 3.17Å; H133-N137 PolarHBondContact CD2-ND2 2.81Å; H133-N137 PolarHBondContact NE2-ND2 2.7Å; H133-N137 PolarHBondContact O-N 2.88Å; H133-N137 PolarHBondContact O-ND2 3.42Å; T134-N137 PolarHBondContact O-N 3.25Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.26Å
138I96.6Very high97.5Very high38 Ų3833.7 Ų33.720%0.19517%0.173CC..Hα-helixtrans-67.7-47176.1-71.5167.4000111.4E90 T93 R94 T134 L135E90-I138 HydrophobicContact CG-CD1 4.08Å; T93-I138 HydrophobicContact CG2-CB 4.38Å; T93-I138 HydrophobicContact CG2-CG2 4.1Å; R94-I138 HydrophobicContact CG-CG2 3.7Å; T134-I138 HydrophobicContact CG2-CD1 4.05Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 2.94Å; T134-I138 VanDerWaalsContact O-N 3.09Å; L135-I138 HydrophobicContact CD2-CD1 4.33Å; L135-I138 PolarHBondContact O-N 3.05Å; L135-I138 VanDerWaalsContact O-N 3.16Å
139N97.3Very high97.5Very high0 Ų035.1 Ų35.10%018%0.179CC..  trans-147.2101.5178.5-166.5-3.3000111.9R37 Y53 T93 L135 R136 D141 V142R37-N139 PolarHBondContact NH1-OD1 3.38Å; R37-N139 PolarHBondContact NH2-OD1 3.09Å; Y53-N139 PolarHBondContact OH-ND2 3.35Å; Y53-N139 PolarHBondContact OH-OD1 3.06Å; T93-N139 HydrophobicContact CG2-CB 3.61Å; T93-N139 WeakPolarHBondContact O-CB 3.36Å; T93-N139 PolarHBondContact O-ND2 3Å; L135-N139 PolarHBondContact O-N 3.48Å; R136-N139 CarbonylContact O-C 3.5Å; N139-D141 PolarHBondContact O-N 3.4Å; N139-D141 VanDerWaalsContact OD1-CB 3.32Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 3.14Å; N139-D141 PolarHBondContact OD1-OD2 2.71Å; N139-V142 HydrophobicContact CB-CG2 4.02Å; N139-V142 PolarHBondContact O-N 2.87Å
140P96.6Very high97.6Very high25 Ų2532.6 Ų32.616%0.16217%0.168CC..THydrogen-bonded Turntrans-74.9-6.8-178.232.4-38.1000113.6R37 R39 R136 V142R37-P140 VanDerWaalsContact O-CG 3.32Å; R37-P140 WeakPolarHBondContact O-CG 3.25Å; R39-P140 HydrophobicContact CG-CB 4.02Å; R39-P140 HydrophobicContact CG-CG 4.18Å; R39-P140 PolarHBondContact NE-O 3.47Å; R39-P140 PolarHBondContact NH2-O 2.89Å; R136-P140 WeakPolarHBondContact O-CA 3.38Å; P140-V142 VanDerWaalsContact C-N 3.27Å
141D97.3Very high97.6Very high23 Ų2332.9 Ų32.912%0.12317%0.17CC..THydrogen-bonded Turntrans-74.3-20.4176.6-59.5-29.3000112.3R37 R39 I40 Y53 N139R37-D141 IonicContact CZ-OD2 3.65Å; R37-D141 IonicContact NH2-OD2 3.79Å; R37-D141 PolarHBondContact NH2-OD2 3.29Å; R39-D141 WeakPolarHBondContact CA-OD1 3.46Å; I40-D141 PolarHBondContact N-OD1 3.3Å; Y53-D141 WeakPolarHBondContact CE2-OD2 3.32Å; Y53-D141 WeakPolarHBondContact OH-CB 3.37Å; Y53-D141 PolarHBondContact OH-OD2 3.48Å; N139-D141 PolarHBondContact O-N 3.4Å; N139-D141 VanDerWaalsContact OD1-CB 3.32Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 3.14Å; N139-D141 PolarHBondContact OD1-OD2 2.71Å
142V98.3Very high97.6Very high1 Ų134.5 Ų34.51%0.00618%0.18CC..SBendtrans-84.3131.9-177.6-176.90000109.7T93 I97 L100 N139 P140 F144T93-V142 HydrophobicContact CG2-CG2 4.13Å; I97-V142 HydrophobicContact CG2-CG1 3.83Å; I97-V142 HydrophobicContact CG2-CG2 4.45Å; I97-V142 WeakPolarHBondContact O-CG1 3.4Å; I97-V142 WeakPolarHBondContact O-CG2 3.42Å; L100-V142 HydrophobicContact CG-CG1 4.34Å; N139-V142 HydrophobicContact CB-CG2 4.02Å; N139-V142 PolarHBondContact O-N 2.87Å; P140-V142 VanDerWaalsContact C-N 3.27Å; V142-F144 HydrophobicContact CB-CD2 4.46Å; V142-F144 HydrophobicContact CB-CE2 3.63Å; V142-F144 HydrophobicContact CB-CZ 3.74Å; V142-F144 HydrophobicContact CG1-CD2 4.33Å; V142-F144 HydrophobicContact CG1-CE1 4.01Å; V142-F144 HydrophobicContact CG1-CE2 3.73Å; V142-F144 HydrophobicContact CG1-CZ 3.52Å; V142-F144 WeakPolarHBondContact O-CD2 3.21Å; V142-F144 WeakPolarHBondContact O-CE2 3.27Å
143A98.3Very high97.5Very high40 Ų4035.2 Ų35.233%0.33119%0.187SC..EExtended strand (participates in β ladder)trans-80.8137.317000000110.2G98 K99 L100G98-A143 PolarHBondContact O-N 2.91Å; K99-A143 CarbonylContact C-O 3.1Å; K99-A143 VanDerWaalsContact CA-O 3.25Å; K99-A143 WeakPolarHBondContact CA-O 3.19Å; K99-A143 HydrophobicContact CB-CB 4.05Å; K99-A143 HydrophobicContact CG-CB 3.87Å; L100-A143 PolarHBondContact N-O 3.29Å
144F98.4Very high97.2Very high17 Ų1738.9 Ų38.98%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-123.5143.7176.9-62.1-91.1000110.6T93 L100 E132 L135 R136 V142T93-F144 HydrophobicContact CG2-CZ 3.96Å; L100-F144 HydrophobicContact CB-CD1 3.95Å; L100-F144 HydrophobicContact CB-CE1 4.07Å; L100-F144 HydrophobicContact CD1-CE1 3.85Å; L100-F144 HydrophobicContact CG-CE1 4.44Å; L100-F144 WeakPolarHBondContact O-CA 3.09Å; E132-F144 HydrophobicContact CG-CB 3.98Å; E132-F144 HydrophobicContact CG-CG 4.37Å; L135-F144 HydrophobicContact CB-CD1 4.46Å; L135-F144 HydrophobicContact CB-CE1 3.51Å; L135-F144 HydrophobicContact CB-CE2 4.28Å; L135-F144 HydrophobicContact CB-CZ 3.41Å; L135-F144 VanDerWaalsContact CB-CZ 3.41Å; L135-F144 HydrophobicContact CD1-CD1 4.48Å; L135-F144 HydrophobicContact CD1-CE1 3.75Å; L135-F144 HydrophobicContact CD1-CZ 4.47Å; L135-F144 HydrophobicContact CG-CE1 4.25Å; R136-F144 HydrophobicContact CG-CD2 3.48Å; R136-F144 VanDerWaalsContact CG-CD2 3.48Å; R136-F144 HydrophobicContact CG-CE2 3.74Å; R136-F144 HydrophobicContact CG-CG 4.35Å; R136-F144 PolarHBondContact NH2-O 3.01Å; V142-F144 HydrophobicContact CB-CD2 4.46Å; V142-F144 HydrophobicContact CB-CE2 3.63Å; V142-F144 HydrophobicContact CB-CZ 3.74Å; V142-F144 HydrophobicContact CG1-CD2 4.33Å; V142-F144 HydrophobicContact CG1-CE1 4.01Å; V142-F144 HydrophobicContact CG1-CE2 3.73Å; V142-F144 HydrophobicContact CG1-CZ 3.52Å; V142-F144 WeakPolarHBondContact O-CD2 3.21Å; V142-F144 WeakPolarHBondContact O-CE2 3.27Å
145E98.4Very high96.9Very high31 Ų3144.6 Ų44.615%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-138.6124.5170.5-174.4-171.113400108.1K99 L100 L101 L102 H147 R163K99-E145 WeakPolarHBondContact CE-OE2 3.39Å; K99-E145 IonicContact NZ-OE2 3.19Å; K99-E145 PolarHBondContact NZ-OE2 2.94Å; L100-E145 PolarHBondContact O-N 3.18Å; L101-E145 CarbonylContact C-O 3.52Å; L101-E145 VanDerWaalsContact CA-O 3.27Å; L101-E145 WeakPolarHBondContact CA-O 3.36Å; L101-E145 HydrophobicContact CG-CB 4.25Å; L102-E145 PolarHBondContact N-O 2.65Å; E145-H147 IonicContact OE1-CD2 2.82Å; E145-H147 IonicContact OE1-CE1 2.79Å; E145-H147 IonicContact OE1-NE2 2.85Å; E145-H147 PolarHBondContact OE1-NE2 2.91Å; E145-R163 IonicContact OE1-CZ 3.93Å; E145-R163 IonicContact OE1-NE 2.72Å; E145-R163 PolarHBondContact OE1-NE 2.94Å; E145-R163 IonicContact OE1-NH2 3.21Å; E145-R163 PolarHBondContact OE1-NH2 2.95Å; E145-R163 IonicContact OE2-CZ 3.2Å; E145-R163 IonicContact OE2-NH2 2.91Å; E145-R163 PolarHBondContact OE2-NH2 2.87Å
146T98.4Very high96.8Very high39 Ų3946.8 Ų46.824%0.23925%0.25CC..EExtended strand (participates in β ladder)trans-121.9141.4-171.757.80000112.4L102 V128 E132L102-T146 HydrophobicContact CB-CG2 4.2Å; L102-T146 HydrophobicContact CD1-CG2 4.26Å; L102-T146 WeakPolarHBondContact O-CA 3.44Å; V128-T146 HydrophobicContact CB-CG2 4.11Å; E132-T146 HydrophobicContact CB-CG2 3.71Å; E132-T146 HydrophobicContact CG-CG2 4.17Å
147H98.4Very high96.9Very high26 Ų2644.8 Ų44.812%0.1224%0.243CC..EExtended strand (participates in β ladder)trans-132.4106.9-176.4-69.9-62.4000110.2L102 F103 D104 E145 Y149 H159L102-H147 PolarHBondContact O-N 2.99Å; F103-H147 HydrophobicContact CD1-CB 3.4Å; F103-H147 VanDerWaalsContact CD1-CB 3.4Å; F103-H147 AromaticContact CD1-CD2 3.87Å; F103-H147 AromaticContact CD1-CG 3.89Å; F103-H147 HydrophobicContact CE1-CB 3.63Å; F103-H147 AromaticContact CE1-CD2 3.21Å; F103-H147 WeakPolarHBondContact CE1-CD2 3.41Å; F103-H147 AromaticContact CE1-CG 3.54Å; F103-H147 HydrophobicContact CG-CB 4.25Å; F103-H147 AromaticContact CZ-CD2 3.52Å; D104-H147 PolarHBondContact N-O 2.73Å; E145-H147 IonicContact OE1-CD2 2.82Å; E145-H147 IonicContact OE1-CE1 2.79Å; E145-H147 IonicContact OE1-NE2 2.85Å; E145-H147 PolarHBondContact OE1-NE2 2.91Å; H147-Y149 HydrophobicContact CB-CD1 3.91Å; H147-Y149 HydrophobicContact CB-CE1 3.46Å; H147-Y149 VanDerWaalsContact CB-CE1 3.46Å; H147-Y149 AromaticContact CG-CE1 3.77Å; H147-Y149 AromaticContact ND1-CE1 3.75Å; H147-Y149 PolarHBondContact O-N 2.69Å; H147-H159 AromaticContact CE1-CE1 3.49Å; H147-H159 PolarHBondContact CE1-CE1 3.2Å; H147-H159 VanDerWaalsContact CE1-CE1 3.49Å; H147-H159 AromaticContact ND1-CE1 3.53Å
148N98.2Very high96.9Very high75 Ų7546.8 Ų46.840%0.40126%0.258SS..  trans-91.872-179.6-175.816.7000111.6D104 S126 V128D104-N148 VanDerWaalsContact O-CA 3.27Å; D104-N148 WeakPolarHBondContact O-CA 3.3Å; D104-N148 PolarHBondContact O-OD1 2.88Å; S126-N148 WeakPolarHBondContact CB-ND2 3.23Å; V128-N148 HydrophobicContact CG2-CB 3.75Å
149Y97.9Very high97Very high32 Ų3248.5 Ų48.513%0.12527%0.265CS..SBendtrans-155.5161.4179.563.9-112.9000112.7F103 Y105 H147 I151 N156 H159 F160F103-Y149 HydrophobicContact CD1-CE2 4.28Å; F103-Y149 AromaticContact CD1-CZ 3.96Å; F103-Y149 WeakPolarHBondContact CE1-OH 3.45Å; Y105-Y149 VanDerWaalsContact CB-C 3.48Å; H147-Y149 HydrophobicContact CB-CD1 3.91Å; H147-Y149 HydrophobicContact CB-CE1 3.46Å; H147-Y149 VanDerWaalsContact CB-CE1 3.46Å; H147-Y149 AromaticContact CG-CE1 3.77Å; H147-Y149 AromaticContact ND1-CE1 3.75Å; H147-Y149 PolarHBondContact O-N 2.69Å; Y149-I151 HydrophobicContact CD2-CG2 4.32Å; Y149-I151 HydrophobicContact CE2-CG2 3.85Å; Y149-I151 PolarHBondContact O-N 2.93Å; Y149-N156 HydrophobicContact CD2-CB 3.44Å; Y149-N156 VanDerWaalsContact CD2-CB 3.44Å; Y149-N156 HydrophobicContact CE2-CB 3.67Å; Y149-N156 HydrophobicContact CG-CB 4.16Å; Y149-H159 AromaticContact CE1-CE1 3.94Å; Y149-H159 AromaticContact CE1-ND1 3.39Å; Y149-H159 WeakPolarHBondContact CE1-ND1 3.37Å; Y149-H159 AromaticContact CZ-ND1 3.44Å; Y149-H159 PolarHBondContact OH-ND1 3.26Å; Y149-F160 HydrophobicContact CE2-CB 4.46Å; Y149-F160 WeakPolarHBondContact OH-CA 3.38Å; Y149-F160 PolarHBondContact OH-N 2.74Å
150N97.8Very high97.1Very high49 Ų4948.5 Ų48.526%0.26227%0.265SS..  trans-83.5114175.6-179.82.9000110.9Y105 T152 T153 N156Y105-N150 HydrophobicContact CD1-CB 4Å; Y105-N150 HydrophobicContact CG-CB 4.1Å; N150-T152 PolarHBondContact ND2-OG1 2.83Å; N150-T152 VanDerWaalsContact ND2-OG1 3.13Å; N150-T152 PolarHBondContact O-N 2.83Å; N150-T152 PolarHBondContact OD1-N 3.27Å; N150-T152 PolarHBondContact OD1-OG1 2.71Å; N150-T153 HydrophobicContact CB-CG2 4.32Å; N150-T153 PolarHBondContact O-N 3.49Å; N150-T153 PolarHBondContact O-OG1 2.85Å; N150-N156 VanDerWaalsContact O-CB 3.25Å; N150-N156 WeakPolarHBondContact O-CB 3.36Å; N150-N156 PolarHBondContact O-ND2 3.38Å
151I97.9Very high97.1Very high7 Ų748.5 Ų48.54%0.03626%0.263CS..THydrogen-bonded Turntrans-63-17.2-179.663.4154.3000114.3V79 F103 Y149 F160 A187 A190 I191V79-I151 HydrophobicContact CG1-CD1 3.75Å; V79-I151 HydrophobicContact CG1-CG1 4.4Å; F103-I151 HydrophobicContact CB-CG2 4.26Å; F103-I151 HydrophobicContact CD1-CG2 4.29Å; Y149-I151 HydrophobicContact CD2-CG2 4.32Å; Y149-I151 HydrophobicContact CE2-CG2 3.85Å; Y149-I151 PolarHBondContact O-N 2.93Å; I151-F160 HydrophobicContact CB-CB 4.46Å; I151-F160 HydrophobicContact CB-CD1 4.45Å; I151-F160 HydrophobicContact CB-CD2 4.46Å; I151-F160 HydrophobicContact CB-CG 4.22Å; I151-F160 HydrophobicContact CD1-CE1 4.27Å; I151-F160 HydrophobicContact CD1-CZ 4.26Å; I151-F160 HydrophobicContact CG2-CB 4.25Å; I151-F160 HydrophobicContact CG2-CD2 3.77Å; I151-F160 HydrophobicContact CG2-CE2 4.23Å; I151-F160 HydrophobicContact CG2-CG 3.97Å; I151-A187 HydrophobicContact CD1-CB 4.49Å; I151-A190 HydrophobicContact CD1-CB 4.27Å; I151-I191 HydrophobicContact CD1-CD1 4.22Å; I151-I191 HydrophobicContact CD1-CG1 3.65Å
152T96.9Very high97.1Very high33 Ų3350.4 Ų50.420%0.20227%0.273CS..THydrogen-bonded Turntrans-83.9-13.1-176.675.40000113.6N150 E186 A187 A190N150-T152 PolarHBondContact ND2-OG1 2.83Å; N150-T152 VanDerWaalsContact ND2-OG1 3.13Å; N150-T152 PolarHBondContact O-N 2.83Å; N150-T152 PolarHBondContact OD1-N 3.27Å; N150-T152 PolarHBondContact OD1-OG1 2.71Å; T152-E186 VanDerWaalsContact CB-OE1 3.28Å; T152-E186 WeakPolarHBondContact CB-OE1 3.47Å; T152-E186 HydrophobicContact CG2-CG 3.99Å; T152-E186 PolarHBondContact OG1-OE1 3.18Å; T152-A187 HydrophobicContact CG2-CB 4.15Å; T152-A190 HydrophobicContact CG2-CB 4.11Å
153T95.8Very high97.1Very high57 Ų5752.2 Ų52.235%0.3528%0.28SS..SBendtrans-77.7142176.360.30000110.8N150 D155 N156 F157N150-T153 HydrophobicContact CB-CG2 4.32Å; N150-T153 PolarHBondContact O-N 3.49Å; N150-T153 PolarHBondContact O-OG1 2.85Å; T153-D155 PolarHBondContact O-N 3.4Å; T153-N156 PolarHBondContact O-N 3.03Å; T153-N156 VanDerWaalsContact O-N 3.13Å; T153-N156 VanDerWaalsContact OG1-CB 3.3Å; T153-N156 WeakPolarHBondContact OG1-CB 3.38Å; T153-N156 PolarHBondContact OG1-ND2 2.94Å; T153-F157 WeakPolarHBondContact O-CB 3.43Å; T153-F157 PolarHBondContact O-N 3.36Å
154L90.1Very high97.1Very high155 Ų15550.3 Ų50.381%0.81226%0.264SS*.Hα-helixtrans-50.5-51.5-173.3-80.5160.1000113.4N156 F157L154-N156 VanDerWaalsContact C-N 3.32Å; L154-N156 PolarHBondContact O-N 3.45Å; L154-F157 PolarHBondContact O-N 3.08Å
155D91.1Very high97.1Very high146 Ų14650.8 Ų50.878%0.78127%0.269SS*.Hα-helixtrans-62.8-40.6-177.4-61.2-24.9000111.9T153T153-D155 PolarHBondContact O-N 3.4Å
156N97.1Very high97.1Very high47 Ų4753.1 Ų53.125%0.25128%0.28SS..Hα-helixtrans-79.1-26.1-178.4-70.8-34.6000113.1Y149 N150 T153 L154 H159 F160Y149-N156 HydrophobicContact CD2-CB 3.44Å; Y149-N156 VanDerWaalsContact CD2-CB 3.44Å; Y149-N156 HydrophobicContact CE2-CB 3.67Å; Y149-N156 HydrophobicContact CG-CB 4.16Å; N150-N156 VanDerWaalsContact O-CB 3.25Å; N150-N156 WeakPolarHBondContact O-CB 3.36Å; N150-N156 PolarHBondContact O-ND2 3.38Å; T153-N156 PolarHBondContact O-N 3.03Å; T153-N156 VanDerWaalsContact O-N 3.13Å; T153-N156 VanDerWaalsContact OG1-CB 3.3Å; T153-N156 WeakPolarHBondContact OG1-CB 3.38Å; T153-N156 PolarHBondContact OG1-ND2 2.94Å; L154-N156 VanDerWaalsContact C-N 3.32Å; L154-N156 PolarHBondContact O-N 3.45Å; N156-H159 PolarHBondContact O-N 2.93Å; N156-F160 VanDerWaalsContact O-CB 3.31Å; N156-F160 WeakPolarHBondContact O-CB 3.46Å; N156-F160 PolarHBondContact O-N 3.01Å
157F97.8Very high96.9Very high40 Ų4051.3 Ų51.318%0.17527%0.269CS..Hα-helixtrans-64.4-43.2178.7-176.1-105.6000111.1T153 L154 H159 F160 M161 A190 T193 A194T153-F157 WeakPolarHBondContact O-CB 3.43Å; T153-F157 PolarHBondContact O-N 3.36Å; L154-F157 PolarHBondContact O-N 3.08Å; F157-H159 PolarHBondContact O-N 3.1Å; F157-F160 HydrophobicContact CD2-CD1 4.49Å; F157-F160 WeakPolarHBondContact O-CB 3.32Å; F157-F160 PolarHBondContact O-N 3.44Å; F157-M161 HydrophobicContact CD1-SD 4.03Å; F157-M161 HydrophobicContact CE1-CG 4.23Å; F157-M161 HydrophobicContact CE1-SD 3.38Å; F157-M161 WeakPolarHBondContact CE1-SD 3.48Å; F157-M161 HydrophobicContact CZ-CG 4.24Å; F157-M161 HydrophobicContact CZ-SD 3.78Å; F157-M161 PolarHBondContact O-N 3.4Å; F157-A190 HydrophobicContact CD2-CB 4.38Å; F157-A190 HydrophobicContact CE2-CB 4.19Å; F157-A190 WeakPolarHBondContact CE2-O 3.47Å; F157-T193 HydrophobicContact CZ-CG2 4.28Å; F157-A194 HydrophobicContact CE2-CB 3.95Å; F157-A194 HydrophobicContact CZ-CB 3.9Å
158T97.1Very high96.8Very high101 Ų10150.1 Ų50.162%0.6226%0.264SS*.Hα-helixtrans-61.3-44.7174.7-56.80000111.4M161 D162T158-M161 PolarHBondContact O-N 3.01Å; T158-D162 PolarHBondContact O-N 2.81Å
159H98Very high96.6Very high75 Ų7550.2 Ų50.235%0.34726%0.264SS..Hα-helixtrans-64.5-41176.5-176.3-99000112H147 Y149 N156 F157 M161 D162 R163H147-H159 AromaticContact CE1-CE1 3.49Å; H147-H159 PolarHBondContact CE1-CE1 3.2Å; H147-H159 VanDerWaalsContact CE1-CE1 3.49Å; H147-H159 AromaticContact ND1-CE1 3.53Å; Y149-H159 AromaticContact CE1-CE1 3.94Å; Y149-H159 AromaticContact CE1-ND1 3.39Å; Y149-H159 WeakPolarHBondContact CE1-ND1 3.37Å; Y149-H159 AromaticContact CZ-ND1 3.44Å; Y149-H159 PolarHBondContact OH-ND1 3.26Å; N156-H159 PolarHBondContact O-N 2.93Å; F157-H159 PolarHBondContact O-N 3.1Å; H159-M161 PolarHBondContact O-N 3.28Å; H159-D162 WeakPolarHBondContact O-CB 3.45Å; H159-D162 PolarHBondContact O-N 3.48Å; H159-R163 WeakPolarHBondContact O-CG 3.39Å; H159-R163 PolarHBondContact O-N 3.35Å
160F98.5Very high96.4Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-57.7-46.4175.4171.8-113.5000112.3V79 F103 Y149 I151 N156 F157 R163 I164 I191 A194V79-F160 HydrophobicContact CG2-CE2 3.68Å; V79-F160 HydrophobicContact CG2-CZ 3.89Å; F103-F160 AromaticContact CD1-CD2 3.92Å; F103-F160 HydrophobicContact CD1-CD2 3.92Å; F103-F160 HydrophobicContact CD1-CE2 4.47Å; F103-F160 HydrophobicContact CD2-CD2 4.36Å; F103-F160 HydrophobicContact CD2-CE2 4.17Å; F103-F160 AromaticContact CE1-CD2 3.82Å; F103-F160 HydrophobicContact CE1-CD2 3.82Å; F103-F160 HydrophobicContact CE2-CD2 4.25Å; F103-F160 HydrophobicContact CE2-CE2 4.21Å; F103-F160 HydrophobicContact CG-CD2 4.21Å; F103-F160 HydrophobicContact CG-CE2 4.31Å; F103-F160 AromaticContact CZ-CD2 3.99Å; F103-F160 HydrophobicContact CZ-CD2 3.99Å; F103-F160 HydrophobicContact CZ-CE2 4.4Å; Y149-F160 HydrophobicContact CE2-CB 4.46Å; Y149-F160 WeakPolarHBondContact OH-CA 3.38Å; Y149-F160 PolarHBondContact OH-N 2.74Å; I151-F160 HydrophobicContact CB-CB 4.46Å; I151-F160 HydrophobicContact CB-CD1 4.45Å; I151-F160 HydrophobicContact CB-CD2 4.46Å; I151-F160 HydrophobicContact CB-CG 4.22Å; I151-F160 HydrophobicContact CD1-CE1 4.27Å; I151-F160 HydrophobicContact CD1-CZ 4.26Å; I151-F160 HydrophobicContact CG2-CB 4.25Å; I151-F160 HydrophobicContact CG2-CD2 3.77Å; I151-F160 HydrophobicContact CG2-CE2 4.23Å; I151-F160 HydrophobicContact CG2-CG 3.97Å; N156-F160 VanDerWaalsContact O-CB 3.31Å; N156-F160 WeakPolarHBondContact O-CB 3.46Å; N156-F160 PolarHBondContact O-N 3.01Å; F157-F160 HydrophobicContact CD2-CD1 4.49Å; F157-F160 WeakPolarHBondContact O-CB 3.32Å; F157-F160 PolarHBondContact O-N 3.44Å; F160-R163 PolarHBondContact O-N 2.93Å; F160-I164 HydrophobicContact CD1-CD1 4.08Å; F160-I164 HydrophobicContact CD2-CD1 4.16Å; F160-I164 HydrophobicContact CE1-CD1 3.52Å; F160-I164 HydrophobicContact CE2-CD1 3.61Å; F160-I164 HydrophobicContact CE2-CG1 4.2Å; F160-I164 HydrophobicContact CG-CD1 4.38Å; F160-I164 HydrophobicContact CZ-CD1 3.27Å; F160-I164 HydrophobicContact CZ-CG1 4.33Å; F160-I164 WeakPolarHBondContact O-CG1 3.44Å; F160-I164 PolarHBondContact O-N 3.45Å; F160-I191 HydrophobicContact CE1-CG1 4.36Å; F160-I191 HydrophobicContact CZ-CG1 4.06Å; F160-A194 HydrophobicContact CD1-CB 4.26Å; F160-A194 HydrophobicContact CE1-CB 3.93Å
161M98.1Very high96Very high25 Ų2558.2 Ų58.212%0.12330%0.301CS..Hα-helixtrans-63.2-40175-73.5-179.26600112.9F157 T158 H159 I164 S165 A194 E197 L198F157-M161 HydrophobicContact CD1-SD 4.03Å; F157-M161 HydrophobicContact CE1-CG 4.23Å; F157-M161 HydrophobicContact CE1-SD 3.38Å; F157-M161 WeakPolarHBondContact CE1-SD 3.48Å; F157-M161 HydrophobicContact CZ-CG 4.24Å; F157-M161 HydrophobicContact CZ-SD 3.78Å; F157-M161 PolarHBondContact O-N 3.4Å; T158-M161 PolarHBondContact O-N 3.01Å; H159-M161 PolarHBondContact O-N 3.28Å; M161-I164 PolarHBondContact O-N 3.29Å; M161-S165 WeakPolarHBondContact O-CB 3.33Å; M161-S165 PolarHBondContact O-N 3.19Å; M161-S165 PolarHBondContact O-OG 3.08Å; M161-A194 HydrophobicContact CG-CB 3.75Å; M161-A194 HydrophobicContact SD-CB 4.43Å; M161-E197 HydrophobicContact CE-CB 4.18Å; M161-E197 VanDerWaalsContact CE-CD 3.47Å; M161-E197 HydrophobicContact CE-CG 3.93Å; M161-L198 HydrophobicContact CB-CD1 4.36Å; M161-L198 HydrophobicContact CE-CD1 4.44Å; M161-L198 HydrophobicContact CE-CD2 3.98Å; M161-L198 HydrophobicContact CE-CG 4.03Å; M161-L198 HydrophobicContact CG-CD1 4.48Å
162D97.9Very high95.8Very high63 Ų6360.1 Ų60.134%0.33732%0.322SS..Hα-helixtrans-59.5-48.1175.6177.668000111.2T158 H159 I164 S165 H166T158-D162 PolarHBondContact O-N 2.81Å; H159-D162 WeakPolarHBondContact O-CB 3.45Å; H159-D162 PolarHBondContact O-N 3.48Å; D162-I164 PolarHBondContact O-N 2.99Å; D162-S165 PolarHBondContact O-N 3.15Å; D162-S165 VanDerWaalsContact O-N 3.09Å; D162-H166 WeakPolarHBondContact O-CB 3.49Å; D162-H166 PolarHBondContact O-N 2.98Å; D162-H166 PolarHBondContact O-ND1 3.32Å; D162-H166 IonicContact OD1-CE1 2.83Å; D162-H166 PolarHBondContact OD1-CE1 3.18Å; D162-H166 IonicContact OD1-CG 4Å; D162-H166 IonicContact OD1-ND1 3.89Å; D162-H166 PolarHBondContact OD1-ND1 3.4Å
163R98.1Very high95.8Very high39 Ų3963.4 Ų63.415%0.14733%0.334CS..Hα-helixtrans-65.1-39.6179-56.7-43.9-72.71623.6112.1L101 F103 E145 H159 F160 S165 S167 E171L101-R163 HydrophobicContact CD2-CB 4.25Å; F103-R163 HydrophobicContact CZ-CB 3.99Å; E145-R163 IonicContact OE1-CZ 3.93Å; E145-R163 IonicContact OE1-NE 2.72Å; E145-R163 PolarHBondContact OE1-NE 2.94Å; E145-R163 IonicContact OE1-NH2 3.21Å; E145-R163 PolarHBondContact OE1-NH2 2.95Å; E145-R163 IonicContact OE2-CZ 3.2Å; E145-R163 IonicContact OE2-NH2 2.91Å; E145-R163 PolarHBondContact OE2-NH2 2.87Å; H159-R163 WeakPolarHBondContact O-CG 3.39Å; H159-R163 PolarHBondContact O-N 3.35Å; F160-R163 PolarHBondContact O-N 2.93Å; R163-S165 PolarHBondContact O-N 3.4Å; R163-S167 WeakPolarHBondContact CA-OG 3.35Å; R163-S167 PolarHBondContact NE-OG 3.33Å; R163-S167 PolarHBondContact NH1-OG 3.5Å; R163-S167 PolarHBondContact NH2-OG 2.87Å; R163-S167 WeakPolarHBondContact O-CA 3.27Å; R163-S167 WeakPolarHBondContact O-CB 3.28Å; R163-S167 PolarHBondContact O-N 3.38Å; R163-S167 PolarHBondContact O-OG 2.91Å; R163-E171 IonicContact NH1-OE1 3.51Å; R163-E171 IonicContact NH2-OE1 2.69Å
164I98.2Very high95.9Very high0 Ų064.1 Ų64.10%034%0.339CS..Hα-helixtrans-58.3-39.6172.9-72.6173.4000111.3F160 M161 D162 P174 V175 V178 L198 Q200F160-I164 HydrophobicContact CD1-CD1 4.08Å; F160-I164 HydrophobicContact CD2-CD1 4.16Å; F160-I164 HydrophobicContact CE1-CD1 3.52Å; F160-I164 HydrophobicContact CE2-CD1 3.61Å; F160-I164 HydrophobicContact CE2-CG1 4.2Å; F160-I164 HydrophobicContact CG-CD1 4.38Å; F160-I164 HydrophobicContact CZ-CD1 3.27Å; F160-I164 HydrophobicContact CZ-CG1 4.33Å; F160-I164 WeakPolarHBondContact O-CG1 3.44Å; F160-I164 PolarHBondContact O-N 3.45Å; M161-I164 PolarHBondContact O-N 3.29Å; D162-I164 PolarHBondContact O-N 2.99Å; I164-P174 CarbonylContact O-C 3.44Å; I164-P174 WeakPolarHBondContact O-CA 3.42Å; I164-V175 HydrophobicContact CG2-CG2 4.03Å; I164-V175 PolarHBondContact O-N 2.91Å; I164-V178 HydrophobicContact CD1-CG2 3.9Å; I164-V178 HydrophobicContact CG1-CG2 4.05Å; I164-V178 HydrophobicContact CG2-CG2 4.17Å; I164-L198 HydrophobicContact CB-CD1 4.09Å; I164-L198 HydrophobicContact CG2-CD1 3.65Å; I164-Q200 HydrophobicContact CG2-CB 4.22Å; I164-Q200 HydrophobicContact CG2-CG 3.79Å
165S98.1Very high96.3Very high26 Ų2656.9 Ų56.918%0.18230%0.302CS..Hα-helixtrans-82.8-28.5-172.3-550000114.2M161 D162 R163 K173 P174 L198M161-S165 WeakPolarHBondContact O-CB 3.33Å; M161-S165 PolarHBondContact O-N 3.19Å; M161-S165 PolarHBondContact O-OG 3.08Å; D162-S165 PolarHBondContact O-N 3.15Å; D162-S165 VanDerWaalsContact O-N 3.09Å; R163-S165 PolarHBondContact O-N 3.4Å; S165-K173 CarbonylContact O-C 3.59Å; S165-P174 WeakPolarHBondContact O-CA 3.35Å; S165-L198 WeakPolarHBondContact OG-CD1 3.47Å; S165-L198 VanDerWaalsContact OG-CD2 3.26Å; S165-L198 WeakPolarHBondContact OG-CD2 3.39Å
166H97.1Very high96.7Very high81 Ų8152.8 Ų52.838%0.37528%0.28SS..Hα-helixtrans-125.8-4.8-168.1-56.6116.6000114.3D162 G172 K173D162-H166 WeakPolarHBondContact O-CB 3.49Å; D162-H166 PolarHBondContact O-N 2.98Å; D162-H166 PolarHBondContact O-ND1 3.32Å; D162-H166 IonicContact OD1-CE1 2.83Å; D162-H166 PolarHBondContact OD1-CE1 3.18Å; D162-H166 IonicContact OD1-CG 4Å; D162-H166 IonicContact OD1-ND1 3.89Å; D162-H166 PolarHBondContact OD1-ND1 3.4Å; H166-G172 PolarHBondContact O-N 3.32Å; H166-K173 CarbonylContact C-O 3.07Å; H166-K173 WeakPolarHBondContact CA-O 3.32Å
167S95.1Very high96.8Very high0 Ų050.6 Ų50.60%027%0.268CS..BIsolated β-bridgetrans-113.132.3-171.8-47.50000113.3K99 L101 R163 K173K99-S167 PolarHBondContact NZ-O 3.36Å; L101-S167 WeakPolarHBondContact CD1-O 3.41Å; R163-S167 WeakPolarHBondContact CA-OG 3.35Å; R163-S167 PolarHBondContact NE-OG 3.33Å; R163-S167 PolarHBondContact NH1-OG 3.5Å; R163-S167 PolarHBondContact NH2-OG 2.87Å; R163-S167 WeakPolarHBondContact O-CA 3.27Å; R163-S167 WeakPolarHBondContact O-CB 3.28Å; R163-S167 PolarHBondContact O-N 3.38Å; R163-S167 PolarHBondContact O-OG 2.91Å; S167-K173 PolarHBondContact N-O 2.97Å
168G95.5Very high96.8Very high1 Ų148.7 Ų48.71%0.0126%0.259CS..SBendtrans-58.5-167.5166.500000112.7K99 E170 K173 P174K99-G168 WeakPolarHBondContact CD-O 3.05Å; K99-G168 PolarHBondContact NZ-O 3.45Å; G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 3.5Å; G168-K173 WeakPolarHBondContact CA-O 3.35Å; G168-K173 PolarHBondContact N-O 3.32Å; G168-P174 WeakPolarHBondContact CA-O 3.36Å
169L94.4Very high96.9Very high77 Ų7743.9 Ų43.940%0.40323%0.23SC..SBendtrans-63.6-40.2180-175.366.9000111.3R72 T73 A75 K99R72-L169 WeakPolarHBondContact O-CD2 3.49Å; T73-L169 VanDerWaalsContact C-CD2 3.43Å; T73-L169 VanDerWaalsContact CA-CD2 3.45Å; T73-L169 VanDerWaalsContact O-CD2 3.31Å; T73-L169 WeakPolarHBondContact O-CD2 3.5Å; A75-L169 HydrophobicContact CB-CB 4.34Å; K99-L169 HydrophobicContact CB-CD1 4.04Å
170E94.3Very high96.9Very high116 Ų11640.3 Ų40.354%0.54221%0.213SC..SBendtrans-96.1132.9167.2-64.2171-142.800109.2G168 G172 K173G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 3.5Å; E170-G172 PolarHBondContact O-N 3.2Å; E170-K173 HydrophobicContact CB-CD 4.1Å; E170-K173 HydrophobicContact CB-CG 4.36Å; E170-K173 WeakPolarHBondContact O-CB 3.47Å; E170-K173 PolarHBondContact O-N 3.03Å; E170-K173 VanDerWaalsContact O-N 3.16Å; E170-K173 IonicContact OE1-NZ 3.07Å; E170-K173 PolarHBondContact OE1-NZ 3.31Å; E170-K173 VanDerWaalsContact OE1-NZ 3.09Å; E170-K173 WeakPolarHBondContact OE2-CE 3.21Å; E170-K173 IonicContact OE2-NZ 3.83Å; E170-K173 PolarHBondContact OE2-NZ 3.27Å
171E89.9Confident96.9Very high133 Ų13341 Ų4162%0.62122%0.218SC*.THydrogen-bonded Turntrans-59.9136.4176.8-16570-156.800110.6R163R163-E171 IonicContact NH1-OE1 3.51Å; R163-E171 IonicContact NH2-OE1 2.69Å
172G92.8Very high96.9Very high47 Ų4740.6 Ų40.649%0.48522%0.217SC..THydrogen-bonded Turntrans88.6-6.3-174.700000115H166 E170H166-G172 PolarHBondContact O-N 3.32Å; E170-G172 PolarHBondContact O-N 3.2Å
173K97.1Very high96.7Very high103 Ų10342.7 Ų42.745%0.44823%0.228SC..BIsolated β-bridgetrans-99153.2172-68.5-170.6179.61650111.4S165 H166 S167 G168 E170S165-K173 CarbonylContact O-C 3.59Å; H166-K173 CarbonylContact C-O 3.07Å; H166-K173 WeakPolarHBondContact CA-O 3.32Å; S167-K173 PolarHBondContact N-O 2.97Å; G168-K173 WeakPolarHBondContact CA-O 3.35Å; G168-K173 PolarHBondContact N-O 3.32Å; E170-K173 HydrophobicContact CB-CD 4.1Å; E170-K173 HydrophobicContact CB-CG 4.36Å; E170-K173 WeakPolarHBondContact O-CB 3.47Å; E170-K173 PolarHBondContact O-N 3.03Å; E170-K173 VanDerWaalsContact O-N 3.16Å; E170-K173 IonicContact OE1-NZ 3.07Å; E170-K173 PolarHBondContact OE1-NZ 3.31Å; E170-K173 VanDerWaalsContact OE1-NZ 3.09Å; E170-K173 WeakPolarHBondContact OE2-CE 3.21Å; E170-K173 IonicContact OE2-NZ 3.83Å; E170-K173 PolarHBondContact OE2-NZ 3.27Å
174P98Very high96.4Very high72 Ų7241.8 Ų41.847%0.46823%0.226SC..PPolyproline II helixtrans-69.6161.4174.529.7-35.5000111.5I164 S165 G168I164-P174 CarbonylContact O-C 3.44Å; I164-P174 WeakPolarHBondContact O-CA 3.42Å; S165-P174 WeakPolarHBondContact O-CA 3.35Å; G168-P174 WeakPolarHBondContact CA-O 3.36Å
175V98.6Very high96.3Very high3 Ų344.8 Ų44.82%0.01824%0.239CC..PPolyproline II helixtrans-67.2147.4165.9-59.90000110.1A77 L101 I164 L177 V178 Q200A77-V175 HydrophobicContact CB-CG1 4.42Å; A77-V175 HydrophobicContact CB-CG2 4.26Å; L101-V175 HydrophobicContact CD1-CG1 3.86Å; L101-V175 HydrophobicContact CD2-CG1 4.14Å; I164-V175 HydrophobicContact CG2-CG2 4.03Å; I164-V175 PolarHBondContact O-N 2.91Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.94Å; V175-V178 HydrophobicContact CG2-CG2 3.8Å; V175-Q200 PolarHBondContact O-NE2 3.38Å; V175-Q200 PolarHBondContact O-OE1 3.2Å; V175-Q200 VanDerWaalsContact O-OE1 3.06Å
176D98.8Very high96.1Very high60 Ų6048.1 Ų48.132%0.32125%0.252SS..SBendtrans-72-29.3-179.4-60.8-84.6000112F74 A75 L273F74-D176 WeakPolarHBondContact CA-OD2 3.32Å; F74-D176 HydrophobicContact CB-CB 4.39Å; F74-D176 HydrophobicContact CD1-CB 4.07Å; F74-D176 VanDerWaalsContact CD1-CG 3.49Å; F74-D176 WeakPolarHBondContact CD1-OD1 3.35Å; A75-D176 PolarHBondContact N-OD2 2.9Å; A75-D176 PolarHBondContact O-N 3.23Å; D176-L273 HydrophobicContact CB-CD2 4.02Å
177L98.7Very high96.1Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-154.1143.2-179.3-15367.8000111.7V76 A77 V175 L179 I201 M203 V269 Y272V76-L177 WeakPolarHBondContact CA-O 3.49Å; V76-L177 HydrophobicContact CG2-CB 4.29Å; A77-L177 PolarHBondContact N-O 3.23Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.94Å; L177-L179 HydrophobicContact CD2-CD2 3.75Å; L177-L179 HydrophobicContact CG-CD2 4.15Å; L177-I201 HydrophobicContact CD1-CB 4.21Å; L177-I201 HydrophobicContact CD1-CG2 3.71Å; L177-M203 HydrophobicContact CD2-CE 3.84Å; L177-M203 HydrophobicContact CD2-CG 4.21Å; L177-M203 HydrophobicContact CD2-SD 4.09Å; L177-V269 HydrophobicContact CD2-CB 4.27Å; L177-V269 HydrophobicContact CD2-CG1 3.96Å; L177-V269 HydrophobicContact CD2-CG2 3.73Å; L177-Y272 HydrophobicContact CD1-CD1 4.22Å; L177-Y272 HydrophobicContact CD1-CE1 4.13Å
178V98.9Very high96.3Very high0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-106.6137.4167.1-179.70000109.1A77 V79 I164 V175 I191 Q200 I201 W202 M203A77-V178 HydrophobicContact CB-CG1 4.48Å; A77-V178 HydrophobicContact CB-CG2 4.22Å; A77-V178 CarbonylContact O-C 3.39Å; A77-V178 WeakPolarHBondContact O-CA 3.26Å; V79-V178 HydrophobicContact CG2-CG1 4.19Å; I164-V178 HydrophobicContact CD1-CG2 3.9Å; I164-V178 HydrophobicContact CG1-CG2 4.05Å; I164-V178 HydrophobicContact CG2-CG2 4.17Å; V175-V178 HydrophobicContact CG2-CG2 3.8Å; V178-I191 HydrophobicContact CG1-CG2 4.07Å; V178-Q200 HydrophobicContact CG2-CG 3.69Å; V178-I201 PolarHBondContact N-O 3.11Å; V178-W202 HydrophobicContact CB-CB 3.76Å; V178-W202 HydrophobicContact CG1-CB 4.46Å; V178-W202 CarbonylContact O-C 3.53Å; V178-W202 WeakPolarHBondContact O-CA 3.14Å; V178-W202 WeakPolarHBondContact O-CB 3.34Å; V178-M203 PolarHBondContact O-N 2.72Å
179L98.9Very high96.4Very high0 Ų047.5 Ų47.50%025%0.25CC..EExtended strand (participates in β ladder)trans-118.1115.1178.4-55.7-175.9000109.4V76 A77 V78 V79 T88 L92 L177 M203 L265 V269V76-L179 HydrophobicContact CG1-CD1 3.6Å; V76-L179 HydrophobicContact CG1-CG 3.65Å; A77-L179 PolarHBondContact O-N 2.82Å; V78-L179 HydrophobicContact CG2-CB 4.47Å; V78-L179 HydrophobicContact CG2-CD1 4.26Å; V79-L179 PolarHBondContact N-O 3.26Å; T88-L179 HydrophobicContact CG2-CD1 3.57Å; L92-L179 HydrophobicContact CD1-CD1 3.85Å; L177-L179 HydrophobicContact CD2-CD2 3.75Å; L177-L179 HydrophobicContact CG-CD2 4.15Å; L179-M203 CarbonylContact C-O 3.45Å; L179-M203 WeakPolarHBondContact CA-O 3.37Å; L179-M203 HydrophobicContact CD2-CB 3.82Å; L179-M203 HydrophobicContact CD2-CG 4.31Å; L179-M203 HydrophobicContact CD2-SD 4.48Å; L179-L265 HydrophobicContact CD2-CD1 4.34Å; L179-V269 HydrophobicContact CD1-CG2 3.99Å; L179-V269 HydrophobicContact CD2-CG2 3.64Å; L179-V269 HydrophobicContact CG-CG2 4.48Å
180S98.8Very high96.6Very high0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-88.6111.21741720000109.9M203 S205S180-M203 PolarHBondContact N-O 2.79Å; S180-S205 PolarHBondContact O-N 2.96Å; S180-S205 PolarHBondContact O-OG 3.28Å
181C98.4Very high96.8Very high14 Ų1438.9 Ų38.910%0.09521%0.21CC..  trans-121.223.1177-630000111.5V79 G80V79-C181 CarbonylContact O-C 3.47Å; V79-C181 WeakPolarHBondContact O-CA 3.36Å; V79-C181 PolarHBondContact O-N 3.29Å; G80-C181 VanDerWaalsContact O-CB 3.31Å; G80-C181 WeakPolarHBondContact O-CB 3.5Å
182V97.2Very high97.2Very high18 Ų1832.6 Ų32.611%0.10918%0.18CC..  trans-78.3164.5-179.1-57.60000112.1V79 A187 R188 I191V79-V182 HydrophobicContact CB-CG1 4.23Å; V79-V182 HydrophobicContact CG1-CG1 3.7Å; V79-V182 WeakPolarHBondContact O-CG1 3.44Å; V79-V182 PolarHBondContact O-N 2.61Å; V182-A187 HydrophobicContact CB-CB 4.01Å; V182-A187 HydrophobicContact CG1-CB 4.03Å; V182-A187 HydrophobicContact CG2-CB 3.8Å; V182-R188 HydrophobicContact CG2-CG 3.62Å; V182-R188 VanDerWaalsContact O-CZ 3.3Å; V182-R188 PolarHBondContact O-NH1 3.49Å; V182-R188 PolarHBondContact O-NH2 3.28Å; V182-I191 HydrophobicContact CG1-CD1 4.34Å
183D92.9Very high97.5Very high107 Ų10732.6 Ų32.657%0.57217%0.171SC*.SBendtrans-109.10.4-17367.9-9.7000114.6
184N92.8Very high97.6Very high19 Ų1927.7 Ų27.710%0.10215%0.149CC..SBendtrans-129.9156.5-177.462.184.6000111.8A187 R188N184-A187 VanDerWaalsContact OD1-CB 3.22Å; N184-A187 WeakPolarHBondContact OD1-CB 3.5Å; N184-A187 PolarHBondContact OD1-N 2.97Å; N184-R188 VanDerWaalsContact C-NH1 3.32Å; N184-R188 WeakPolarHBondContact O-CG 3.38Å; N184-R188 PolarHBondContact O-N 2.92Å; N184-R188 PolarHBondContact O-NH1 3.16Å
185F94.9Very high97.6Very high63 Ų6324.2 Ų24.228%0.27613%0.127SC..Hα-helixtrans-77.1-28.1-177.2-65.1-61.2000112.7R188 M189 F227 P232 V234 V235 E241F185-R188 PolarHBondContact O-N 3.21Å; F185-M189 WeakPolarHBondContact O-CB 3.34Å; F185-M189 WeakPolarHBondContact O-CG 3.38Å; F185-M189 PolarHBondContact O-N 3.27Å; F185-F227 HydrophobicContact CD1-CE1 4.04Å; F185-F227 AromaticContact CD1-CZ 3.76Å; F185-F227 HydrophobicContact CD1-CZ 3.76Å; F185-F227 HydrophobicContact CE1-CZ 4.09Å; F185-P232 HydrophobicContact CD1-CG 3.82Å; F185-P232 HydrophobicContact CE1-CB 4.32Å; F185-P232 HydrophobicContact CE1-CG 3.7Å; F185-P232 HydrophobicContact CE2-CG 4.47Å; F185-P232 HydrophobicContact CG-CG 4.28Å; F185-P232 HydrophobicContact CZ-CB 4.28Å; F185-P232 HydrophobicContact CZ-CG 4.04Å; F185-V234 HydrophobicContact CD2-CG2 3.57Å; F185-V234 HydrophobicContact CE2-CG2 3.64Å; F185-V234 HydrophobicContact CG-CG2 4.42Å; F185-V235 HydrophobicContact CB-CG2 3.79Å; F185-V235 HydrophobicContact CG-CG2 4.17Å; F185-E241 HydrophobicContact CD2-CG 4.39Å; F185-E241 PolarHBondContact N-OE2 3.35Å
186E95.8Very high97.6Very high96 Ų9624.1 Ų24.145%0.44913%0.126SC..Hα-helixtrans-58.9-50.4177.4-168.8-170.8154.500111.1T152 M189 A190T152-E186 VanDerWaalsContact CB-OE1 3.28Å; T152-E186 WeakPolarHBondContact CB-OE1 3.47Å; T152-E186 HydrophobicContact CG2-CG 3.99Å; T152-E186 PolarHBondContact OG1-OE1 3.18Å; E186-M189 PolarHBondContact O-N 3.24Å; E186-A190 PolarHBondContact O-N 3.41Å
187A97.1Very high97.6Very high5 Ų525 Ų254%0.04113%0.129CC..Hα-helixtrans-66-38.9177.400000112.5I151 T152 V182 N184 M189 A190 I191I151-A187 HydrophobicContact CD1-CB 4.49Å; T152-A187 HydrophobicContact CG2-CB 4.15Å; V182-A187 HydrophobicContact CB-CB 4.01Å; V182-A187 HydrophobicContact CG1-CB 4.03Å; V182-A187 HydrophobicContact CG2-CB 3.8Å; N184-A187 VanDerWaalsContact OD1-CB 3.22Å; N184-A187 WeakPolarHBondContact OD1-CB 3.5Å; N184-A187 PolarHBondContact OD1-N 2.97Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 2.86Å; A187-A190 PolarHBondContact O-N 3.25Å; A187-I191 VanDerWaalsContact O-CG1 3.28Å; A187-I191 WeakPolarHBondContact O-CG1 3.18Å; A187-I191 PolarHBondContact O-N 3.44Å
188R98.5Very high97.6Very high18 Ų1828 Ų287%0.06814%0.144CC..Hα-helixtrans-59.4-42.5173.2-71.2179177.483.24111.7V182 N184 F185 I191 N192 E204 S205 F227V182-R188 HydrophobicContact CG2-CG 3.62Å; V182-R188 VanDerWaalsContact O-CZ 3.3Å; V182-R188 PolarHBondContact O-NH1 3.49Å; V182-R188 PolarHBondContact O-NH2 3.28Å; N184-R188 VanDerWaalsContact C-NH1 3.32Å; N184-R188 WeakPolarHBondContact O-CG 3.38Å; N184-R188 PolarHBondContact O-N 2.92Å; N184-R188 PolarHBondContact O-NH1 3.16Å; F185-R188 PolarHBondContact O-N 3.21Å; R188-I191 PolarHBondContact O-N 3.35Å; R188-N192 VanDerWaalsContact O-CB 3.28Å; R188-N192 WeakPolarHBondContact O-CB 3.39Å; R188-N192 PolarHBondContact O-N 2.84Å; R188-E204 WeakPolarHBondContact CD-OE1 3.26Å; R188-E204 IonicContact CZ-OE1 2.75Å; R188-E204 IonicContact NE-OE1 3Å; R188-E204 PolarHBondContact NE-OE1 2.88Å; R188-E204 IonicContact NH2-OE1 3.57Å; R188-S205 PolarHBondContact NH2-O 3.29Å; R188-F227 HydrophobicContact CB-CD1 4.17Å; R188-F227 HydrophobicContact CB-CE1 3.96Å; R188-F227 HydrophobicContact CB-CZ 4.19Å
189M98Very high97.6Very high47 Ų4729.4 Ų29.423%0.23216%0.159CC..Hα-helixtrans-67.7-36.7177-76.6-59.3-50.800112.4F185 E186 A187 N192 T193 F227 A228 V235F185-M189 WeakPolarHBondContact O-CB 3.34Å; F185-M189 WeakPolarHBondContact O-CG 3.38Å; F185-M189 PolarHBondContact O-N 3.27Å; E186-M189 PolarHBondContact O-N 3.24Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 2.86Å; M189-N192 PolarHBondContact O-N 3.22Å; M189-T193 WeakPolarHBondContact O-CB 3.46Å; M189-T193 PolarHBondContact O-N 3.49Å; M189-T193 PolarHBondContact O-OG1 3.49Å; M189-F227 HydrophobicContact CG-CD1 4.34Å; M189-F227 HydrophobicContact SD-CD1 3.69Å; M189-F227 HydrophobicContact SD-CE1 4.36Å; M189-A228 HydrophobicContact CE-CB 4.03Å; M189-A228 HydrophobicContact SD-CB 4.46Å; M189-V235 HydrophobicContact CG-CG1 4.4Å; M189-V235 HydrophobicContact SD-CG1 4.29Å
190A98.3Very high97.5Very high12 Ų1230.2 Ų30.210%0.09916%0.163CC..Hα-helixtrans-62.5-49.7173.600000111.1I151 T152 F157 E186 A187 N192 T193 A194I151-A190 HydrophobicContact CD1-CB 4.27Å; T152-A190 HydrophobicContact CG2-CB 4.11Å; F157-A190 HydrophobicContact CD2-CB 4.38Å; F157-A190 HydrophobicContact CE2-CB 4.19Å; F157-A190 WeakPolarHBondContact CE2-O 3.47Å; E186-A190 PolarHBondContact O-N 3.41Å; A187-A190 PolarHBondContact O-N 3.25Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 3.45Å; A190-T193 PolarHBondContact O-N 3.35Å; A190-A194 PolarHBondContact O-N 3.45Å
191I98.8Very high97.5Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-58.7-46.4175.4-61.7162.9000110.4V79 I151 F160 V178 V182 A187 R188 T193 A194 C195 W202V79-I191 HydrophobicContact CB-CD1 3.79Å; V79-I191 HydrophobicContact CG1-CD1 3.83Å; V79-I191 HydrophobicContact CG1-CG1 4.4Å; V79-I191 HydrophobicContact CG2-CD1 4.09Å; V79-I191 HydrophobicContact CG2-CG1 4.37Å; I151-I191 HydrophobicContact CD1-CD1 4.22Å; I151-I191 HydrophobicContact CD1-CG1 3.65Å; F160-I191 HydrophobicContact CE1-CG1 4.36Å; F160-I191 HydrophobicContact CZ-CG1 4.06Å; V178-I191 HydrophobicContact CG1-CG2 4.07Å; V182-I191 HydrophobicContact CG1-CD1 4.34Å; A187-I191 VanDerWaalsContact O-CG1 3.28Å; A187-I191 WeakPolarHBondContact O-CG1 3.18Å; A187-I191 PolarHBondContact O-N 3.44Å; R188-I191 PolarHBondContact O-N 3.35Å; I191-T193 VanDerWaalsContact C-N 3.33Å; I191-T193 PolarHBondContact O-N 3.08Å; I191-A194 PolarHBondContact O-N 2.88Å; I191-C195 WeakPolarHBondContact O-CB 3.49Å; I191-C195 PolarHBondContact O-N 3.48Å; I191-C195 PolarHBondContact O-SG 3.02Å; I191-C195 VanDerWaalsContact O-SG 3.36Å; I191-W202 HydrophobicContact CB-CZ3 4.47Å; I191-W202 HydrophobicContact CG2-CD2 4.05Å; I191-W202 HydrophobicContact CG2-CE3 3.68Å; I191-W202 HydrophobicContact CG2-CH2 4.38Å; I191-W202 HydrophobicContact CG2-CZ3 3.86Å
192N98.8Very high97.6Very high0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-56.5-46177.4176.886.7000112.3R188 M189 A190 C195 N196 W202 C226 F227 D305R188-N192 VanDerWaalsContact O-CB 3.28Å; R188-N192 WeakPolarHBondContact O-CB 3.39Å; R188-N192 PolarHBondContact O-N 2.84Å; M189-N192 PolarHBondContact O-N 3.22Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 3.45Å; N192-C195 PolarHBondContact O-N 3.36Å; N192-N196 PolarHBondContact ND2-ND2 3.44Å; N192-N196 WeakPolarHBondContact O-CB 3.42Å; N192-N196 VanDerWaalsContact O-CG 3.32Å; N192-N196 PolarHBondContact O-N 2.92Å; N192-N196 PolarHBondContact O-ND2 3.19Å; N192-W202 HydrophobicContact CB-CH2 4.14Å; N192-W202 HydrophobicContact CB-CZ2 3.76Å; N192-C226 WeakPolarHBondContact OD1-CB 3.42Å; N192-F227 HydrophobicContact CB-CB 3.99Å; N192-F227 WeakPolarHBondContact OD1-CB 3.32Å; N192-F227 PolarHBondContact OD1-N 3.24Å; N192-D305 PolarHBondContact ND2-OD2 2.89Å
193T98.5Very high97.6Very high47 Ų4730.5 Ų30.529%0.28816%0.163SC..Hα-helixtrans-62.6-50.1179.5-56.20000110.7F157 M189 A190 I191 C195 N196 E197F157-T193 HydrophobicContact CZ-CG2 4.28Å; M189-T193 WeakPolarHBondContact O-CB 3.46Å; M189-T193 PolarHBondContact O-N 3.49Å; M189-T193 PolarHBondContact O-OG1 3.49Å; A190-T193 PolarHBondContact O-N 3.35Å; I191-T193 VanDerWaalsContact C-N 3.33Å; I191-T193 PolarHBondContact O-N 3.08Å; T193-C195 PolarHBondContact O-N 2.91Å; T193-N196 PolarHBondContact O-N 3.46Å; T193-E197 WeakPolarHBondContact O-CB 3.28Å; T193-E197 PolarHBondContact O-N 2.92Å
194A98.6Very high97.9Very high0 Ų025.5 Ų25.50%014%0.136CC..Hα-helixtrans-57.9-48.7177.900000111.6F157 F160 M161 A190 I191 E197 L198F157-A194 HydrophobicContact CE2-CB 3.95Å; F157-A194 HydrophobicContact CZ-CB 3.9Å; F160-A194 HydrophobicContact CD1-CB 4.26Å; F160-A194 HydrophobicContact CE1-CB 3.93Å; M161-A194 HydrophobicContact CG-CB 3.75Å; M161-A194 HydrophobicContact SD-CB 4.43Å; A190-A194 PolarHBondContact O-N 3.45Å; I191-A194 PolarHBondContact O-N 2.88Å; A194-E197 PolarHBondContact O-N 3.28Å; A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 VanDerWaalsContact O-CG 3.29Å; A194-L198 WeakPolarHBondContact O-CG 3.31Å; A194-L198 PolarHBondContact O-N 2.96Å
195C98.8Very high98.2Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-67.6-38.4-177.9-70.70000112.8I191 N192 T193 E197 G199 Q200 W202I191-C195 WeakPolarHBondContact O-CB 3.49Å; I191-C195 PolarHBondContact O-N 3.48Å; I191-C195 PolarHBondContact O-SG 3.02Å; I191-C195 VanDerWaalsContact O-SG 3.36Å; N192-C195 PolarHBondContact O-N 3.36Å; T193-C195 PolarHBondContact O-N 2.91Å; C195-E197 VanDerWaalsContact C-N 3.35Å; C195-G199 CarbonylContact O-C 3.53Å; C195-G199 WeakPolarHBondContact O-CA 3.35Å; C195-G199 PolarHBondContact O-N 3.49Å; C195-Q200 HydrophobicContact CB-CB 4.24Å; C195-Q200 WeakPolarHBondContact CB-O 3.47Å; C195-Q200 PolarHBondContact O-N 3.33Å; C195-W202 VanDerWaalsContact CB-CD1 3.4Å; C195-W202 HydrophobicContact CB-CG 4.08Å
196N98.8Very high98.3Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-65.1-40.1174.3-77.9-29.4000111.6N192 T193 D305 H307 Q311N192-N196 PolarHBondContact ND2-ND2 3.44Å; N192-N196 WeakPolarHBondContact O-CB 3.42Å; N192-N196 VanDerWaalsContact O-CG 3.32Å; N192-N196 PolarHBondContact O-N 2.92Å; N192-N196 PolarHBondContact O-ND2 3.19Å; T193-N196 PolarHBondContact O-N 3.46Å; N196-D305 PolarHBondContact ND2-OD2 3.2Å; N196-H307 HydrophobicContact CB-CB 3.79Å; N196-Q311 WeakPolarHBondContact O-CG 3.41Å; N196-Q311 PolarHBondContact O-NE2 3.33Å
197E98.5Very high98.3Very high79 Ų7919.5 Ų19.537%0.36911%0.113SC..Hα-helixtrans-63.9-45.1178-176.4168.6169.600111.9M161 T193 A194 C195 R310M161-E197 HydrophobicContact CE-CB 4.18Å; M161-E197 VanDerWaalsContact CE-CD 3.47Å; M161-E197 HydrophobicContact CE-CG 3.93Å; T193-E197 WeakPolarHBondContact O-CB 3.28Å; T193-E197 PolarHBondContact O-N 2.92Å; A194-E197 PolarHBondContact O-N 3.28Å; C195-E197 VanDerWaalsContact C-N 3.35Å; E197-R310 PolarHBondContact O-NH2 3.22Å
198L98.3Very high98.2Very high62 Ų6220.7 Ų20.733%0.32512%0.121SC..Hα-helixtrans-81.2-17.6-178.4-63.4174.7000114.1M161 I164 S165 A194 Q200M161-L198 HydrophobicContact CB-CD1 4.36Å; M161-L198 HydrophobicContact CE-CD1 4.44Å; M161-L198 HydrophobicContact CE-CD2 3.98Å; M161-L198 HydrophobicContact CE-CG 4.03Å; M161-L198 HydrophobicContact CG-CD1 4.48Å; I164-L198 HydrophobicContact CB-CD1 4.09Å; I164-L198 HydrophobicContact CG2-CD1 3.65Å; S165-L198 WeakPolarHBondContact OG-CD1 3.47Å; S165-L198 VanDerWaalsContact OG-CD2 3.26Å; S165-L198 WeakPolarHBondContact OG-CD2 3.39Å; A194-L198 WeakPolarHBondContact O-CB 3.47Å; A194-L198 VanDerWaalsContact O-CG 3.29Å; A194-L198 WeakPolarHBondContact O-CG 3.31Å; A194-L198 PolarHBondContact O-N 2.96Å; L198-Q200 HydrophobicContact CB-CB 4.16Å
199G98.2Very high97.8Very high31 Ų3127.1 Ų27.132%0.3215%0.152SC..THydrogen-bonded Turntrans69.324.5-167.600000112.7C195C195-G199 CarbonylContact O-C 3.53Å; C195-G199 WeakPolarHBondContact O-CA 3.35Å; C195-G199 PolarHBondContact O-N 3.49Å
200Q98.7Very high97.5Very high16 Ų1629.6 Ų29.68%0.07517%0.166CC..  trans-79.1131.3-178.417861.552.100110.6I164 V175 V178 C195 L198 P221I164-Q200 HydrophobicContact CG2-CB 4.22Å; I164-Q200 HydrophobicContact CG2-CG 3.79Å; V175-Q200 PolarHBondContact O-NE2 3.38Å; V175-Q200 PolarHBondContact O-OE1 3.2Å; V175-Q200 VanDerWaalsContact O-OE1 3.06Å; V178-Q200 HydrophobicContact CG2-CG 3.69Å; C195-Q200 HydrophobicContact CB-CB 4.24Å; C195-Q200 WeakPolarHBondContact CB-O 3.47Å; C195-Q200 PolarHBondContact O-N 3.33Å; L198-Q200 HydrophobicContact CB-CB 4.16Å; Q200-P221 WeakPolarHBondContact O-CD 3.28Å; Q200-P221 VanDerWaalsContact O-CG 3.3Å; Q200-P221 WeakPolarHBondContact O-CG 3.21Å
201I98.8Very high97.2Very high38 Ų3829 Ų2920%0.19516%0.161CC..  trans-79.4138.5175.2-58.5175.8000109L177 V178 L218 I220 Y272L177-I201 HydrophobicContact CD1-CB 4.21Å; L177-I201 HydrophobicContact CD1-CG2 3.71Å; V178-I201 PolarHBondContact N-O 3.11Å; I201-L218 HydrophobicContact CG2-CD1 3.76Å; I201-I220 HydrophobicContact CD1-CG1 4.4Å; I201-I220 HydrophobicContact CD1-CG2 4.21Å; I201-I220 HydrophobicContact CG1-CG1 4.43Å; I201-I220 HydrophobicContact CG1-CG2 4.24Å; I201-I220 HydrophobicContact CG2-CG1 3.93Å; I201-Y272 WeakPolarHBondContact CD1-OH 3.44Å
202W98.9Very high97.1Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-148.3159.8-177.567.4-70.6000112.5V178 I191 N192 C195 E204 I219 F227V178-W202 HydrophobicContact CB-CB 3.76Å; V178-W202 HydrophobicContact CG1-CB 4.46Å; V178-W202 CarbonylContact O-C 3.53Å; V178-W202 WeakPolarHBondContact O-CA 3.14Å; V178-W202 WeakPolarHBondContact O-CB 3.34Å; I191-W202 HydrophobicContact CB-CZ3 4.47Å; I191-W202 HydrophobicContact CG2-CD2 4.05Å; I191-W202 HydrophobicContact CG2-CE3 3.68Å; I191-W202 HydrophobicContact CG2-CH2 4.38Å; I191-W202 HydrophobicContact CG2-CZ3 3.86Å; N192-W202 HydrophobicContact CB-CH2 4.14Å; N192-W202 HydrophobicContact CB-CZ2 3.76Å; C195-W202 VanDerWaalsContact CB-CD1 3.4Å; C195-W202 HydrophobicContact CB-CG 4.08Å; W202-E204 HydrophobicContact CE3-CB 4.19Å; W202-E204 HydrophobicContact CH2-CB 4.27Å; W202-E204 HydrophobicContact CH2-CG 4.45Å; W202-E204 HydrophobicContact CZ3-CB 3.64Å; W202-E204 HydrophobicContact CZ3-CG 3.96Å; W202-I219 HydrophobicContact CD2-CB 4.17Å; W202-I219 HydrophobicContact CD2-CD1 3.95Å; W202-I219 VanDerWaalsContact CE2-CD1 3.47Å; W202-I219 HydrophobicContact CE3-CD1 4.12Å; W202-I219 HydrophobicContact CG-CB 4.21Å; W202-I219 HydrophobicContact CH2-CD1 3.45Å; W202-I219 VanDerWaalsContact CH2-CD1 3.45Å; W202-I219 HydrophobicContact CZ2-CB 4.3Å; W202-I219 HydrophobicContact CZ2-CD1 3.21Å; W202-I219 HydrophobicContact CZ2-CG1 4.31Å; W202-I219 HydrophobicContact CZ2-CG2 4.15Å; W202-I219 HydrophobicContact CZ3-CD1 3.9Å; W202-I219 PolarHBondContact N-O 2.99Å; W202-I219 VanDerWaalsContact N-O 3.08Å; W202-I219 PolarHBondContact O-N 2.86Å; W202-F227 HydrophobicContact CH2-CB 4.14Å; W202-F227 HydrophobicContact CZ2-CB 4.29Å
203M98.9Very high96.9Very high1 Ų133.2 Ų33.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-119.5136.6171.7-59.8-178-174.200110L177 V178 L179 S180 Q217 L218 L265 N268 V269 Y272L177-M203 HydrophobicContact CD2-CE 3.84Å; L177-M203 HydrophobicContact CD2-CG 4.21Å; L177-M203 HydrophobicContact CD2-SD 4.09Å; V178-M203 PolarHBondContact O-N 2.72Å; L179-M203 CarbonylContact C-O 3.45Å; L179-M203 WeakPolarHBondContact CA-O 3.37Å; L179-M203 HydrophobicContact CD2-CB 3.82Å; L179-M203 HydrophobicContact CD2-CG 4.31Å; L179-M203 HydrophobicContact CD2-SD 4.48Å; S180-M203 PolarHBondContact N-O 2.79Å; M203-Q217 CarbonylContact C-O 3.52Å; M203-Q217 WeakPolarHBondContact CA-O 3.47Å; M203-L218 HydrophobicContact CE-CD1 3.89Å; M203-L218 HydrophobicContact CG-CB 4.36Å; M203-L218 HydrophobicContact CG-CD1 3.83Å; M203-L265 HydrophobicContact CB-CD1 3.73Å; M203-L265 HydrophobicContact SD-CD1 4.23Å; M203-N268 HydrophobicContact CE-CB 4.39Å; M203-N268 HydrophobicContact SD-CB 4.11Å; M203-V269 HydrophobicContact CE-CG2 4.42Å; M203-V269 HydrophobicContact SD-CG2 3.78Å; M203-Y272 HydrophobicContact CE-CG 4.07Å
204E98.8Very high96.9Very high1 Ų131.3 Ų31.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-102.2148.6174.1-168.1-80.1163.600109.9R188 W202 H215 I216 Q217 I219R188-E204 WeakPolarHBondContact CD-OE1 3.26Å; R188-E204 IonicContact CZ-OE1 2.75Å; R188-E204 IonicContact NE-OE1 3Å; R188-E204 PolarHBondContact NE-OE1 2.88Å; R188-E204 IonicContact NH2-OE1 3.57Å; W202-E204 HydrophobicContact CE3-CB 4.19Å; W202-E204 HydrophobicContact CH2-CB 4.27Å; W202-E204 HydrophobicContact CH2-CG 4.45Å; W202-E204 HydrophobicContact CZ3-CB 3.64Å; W202-E204 HydrophobicContact CZ3-CG 3.96Å; E204-H215 IonicContact OE2-CD2 2.71Å; E204-H215 PolarHBondContact OE2-CD2 2.97Å; E204-H215 IonicContact OE2-CE1 3.49Å; E204-H215 IonicContact OE2-NE2 3.54Å; E204-H215 PolarHBondContact OE2-NE2 3.13Å; E204-I216 CarbonylContact O-C 3.48Å; E204-I216 VanDerWaalsContact O-CA 3.24Å; E204-I216 WeakPolarHBondContact O-CA 3.4Å; E204-Q217 PolarHBondContact N-O 3.33Å; E204-Q217 PolarHBondContact O-N 3.41Å; E204-I219 HydrophobicContact CB-CD1 4.07Å
205S98.5Very high96.9Very high2 Ų233.5 Ų33.51%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-138.1146.4170.564.10000111.6S180 R188 H215S180-S205 PolarHBondContact O-N 2.96Å; S180-S205 PolarHBondContact O-OG 3.28Å; R188-S205 PolarHBondContact NH2-O 3.29Å; S205-H215 WeakPolarHBondContact CA-O 3.48Å
206G96.8Very high96.9Very high7 Ų733.6 Ų33.67%0.07219%0.189CC..EExtended strand (participates in β ladder)trans-145.6148.2177.900000112.2G214 H215G206-G214 CarbonylContact O-C 3.56Å; G206-G214 WeakPolarHBondContact O-CA 3.45Å; G206-H215 PolarHBondContact N-O 3.33Å; G206-H215 VanDerWaalsContact N-O 3.13Å; G206-H215 PolarHBondContact O-N 2.83Å
207V96.6Very high96.9Very high43 Ų4334.4 Ų34.426%0.26119%0.193SC..EExtended strand (participates in β ladder)trans-123.4138.1170.4176.50000107.2V84 S213 T257 V261V84-V207 HydrophobicContact CG2-CG2 3.8Å; V207-S213 WeakPolarHBondContact CA-O 3.42Å; V207-T257 HydrophobicContact CG1-CG2 3.8Å; V207-T257 HydrophobicContact CG2-CG2 4.41Å; V207-V261 HydrophobicContact CG2-CB 4.28Å; V207-V261 HydrophobicContact CG2-CG1 4.46Å; V207-V261 HydrophobicContact CG2-CG2 4.01Å
208S94.1Very high96.9Very high31 Ų3130.8 Ų30.822%0.21718%0.176CC..  trans-67.8155.5179.861.70000112.5N210 A211 V212 S213S208-N210 VanDerWaalsContact CB-OD1 3.31Å; S208-N210 WeakPolarHBondContact CB-OD1 3.33Å; S208-N210 PolarHBondContact O-N 2.95Å; S208-N210 VanDerWaalsContact O-N 3.16Å; S208-N210 PolarHBondContact OG-OD1 2.87Å; S208-A211 WeakPolarHBondContact O-CA 3.43Å; S208-A211 PolarHBondContact O-N 2.83Å; S208-A211 PolarHBondContact OG-N 2.82Å; S208-V212 PolarHBondContact OG-N 2.89Å; S208-S213 VanDerWaalsContact CB-OG 3.24Å; S208-S213 WeakPolarHBondContact CB-OG 3.47Å; S208-S213 PolarHBondContact N-O 2.85Å; S208-S213 PolarHBondContact OG-N 3.17Å; S208-S213 VanDerWaalsContact OG-N 3.09Å; S208-S213 PolarHBondContact OG-O 3.13Å; S208-S213 PolarHBondContact OG-OG 3.4Å
209E90.3Very high97Very high152 Ų15227.9 Ų27.971%0.7116%0.161SC*.THydrogen-bonded Turntrans-61.6-24.1178.3-65.4-174.6166.100113.9A251 A252E209-A251 HydrophobicContact CB-CB 4.33Å; E209-A251 HydrophobicContact CG-CB 4.46Å; E209-A252 WeakPolarHBondContact O-CA 3.3Å; E209-A252 WeakPolarHBondContact O-CB 3.46Å; E209-A252 PolarHBondContact O-N 3.49Å
210N91.9Very high97Very high99 Ų9927.5 Ų27.553%0.52915%0.151SC..THydrogen-bonded Turntrans-91.73.4175.266.31.9000113.2S208 V212S208-N210 VanDerWaalsContact CB-OD1 3.31Å; S208-N210 WeakPolarHBondContact CB-OD1 3.33Å; S208-N210 PolarHBondContact O-N 2.95Å; S208-N210 VanDerWaalsContact O-N 3.16Å; S208-N210 PolarHBondContact OG-OD1 2.87Å; N210-V212 HydrophobicContact CB-CG2 4.48Å; N210-V212 WeakPolarHBondContact ND2-CG2 3.5Å; N210-V212 PolarHBondContact O-N 2.82Å; N210-V212 VanDerWaalsContact O-N 3.09Å; N210-V212 WeakPolarHBondContact OD1-CG2 3.43Å; N210-V212 PolarHBondContact OD1-N 3.01Å
211A92.9Very high97Very high0 Ų027.3 Ų27.30%015%0.151CC..SBendtrans58.512.9177.700000117.1S208 A252 L254 T257S208-A211 WeakPolarHBondContact O-CA 3.43Å; S208-A211 PolarHBondContact O-N 2.83Å; S208-A211 PolarHBondContact OG-N 2.82Å; A211-A252 HydrophobicContact CB-CB 4.28Å; A211-L254 HydrophobicContact CB-CB 4Å; A211-L254 HydrophobicContact CB-CD1 4.46Å; A211-T257 WeakPolarHBondContact O-CB 3.24Å; A211-T257 WeakPolarHBondContact O-CG2 3.2Å; A211-T257 PolarHBondContact O-OG1 2.92Å
212V94.8Very high96.9Very high42 Ų4225.8 Ų25.826%0.25515%0.145SC..SBendtrans-105.76179.7-620000114S208 N210 A287 M288S208-V212 PolarHBondContact OG-N 2.89Å; N210-V212 HydrophobicContact CB-CG2 4.48Å; N210-V212 WeakPolarHBondContact ND2-CG2 3.5Å; N210-V212 PolarHBondContact O-N 2.82Å; N210-V212 VanDerWaalsContact O-N 3.09Å; N210-V212 WeakPolarHBondContact OD1-CG2 3.43Å; N210-V212 PolarHBondContact OD1-N 3.01Å; V212-A287 HydrophobicContact CB-CB 4.37Å; V212-A287 VanDerWaalsContact O-CB 3.3Å; V212-A287 WeakPolarHBondContact O-CB 3.46Å; V212-A287 PolarHBondContact O-N 3.37Å; V212-M288 HydrophobicContact CB-CG 3.96Å; V212-M288 HydrophobicContact CB-SD 4.1Å; V212-M288 HydrophobicContact CG1-CG 4.45Å; V212-M288 HydrophobicContact CG1-SD 3.92Å; V212-M288 HydrophobicContact CG2-CG 4.06Å; V212-M288 HydrophobicContact CG2-SD 4.42Å
213S96.5Very high96.8Very high47 Ų4728.3 Ų28.333%0.32916%0.157SC..EExtended strand (participates in β ladder)trans-144160.6167.566.10000112.2V207 S208 Y285V207-S213 WeakPolarHBondContact CA-O 3.42Å; S208-S213 VanDerWaalsContact CB-OG 3.24Å; S208-S213 WeakPolarHBondContact CB-OG 3.47Å; S208-S213 PolarHBondContact N-O 2.85Å; S208-S213 PolarHBondContact OG-N 3.17Å; S208-S213 VanDerWaalsContact OG-N 3.09Å; S208-S213 PolarHBondContact OG-O 3.13Å; S208-S213 PolarHBondContact OG-OG 3.4Å; S213-Y285 CarbonylContact C-O 3.57Å; S213-Y285 WeakPolarHBondContact CA-O 3.33Å; S213-Y285 WeakPolarHBondContact CB-O 3.38Å
214G97.8Very high96.7Very high7 Ų728.7 Ų28.77%0.07216%0.159CC..EExtended strand (participates in β ladder)trans-160.3175.917400000111.4G206 G284 Y285G206-G214 CarbonylContact O-C 3.56Å; G206-G214 WeakPolarHBondContact O-CA 3.45Å; G214-G284 CarbonylContact O-C 3.52Å; G214-Y285 PolarHBondContact N-O 2.96Å; G214-Y285 PolarHBondContact O-N 2.84Å
215H98.6Very high96.7Very high46 Ų4628.8 Ų28.821%0.21316%0.16CC..EExtended strand (participates in β ladder)trans-157.6164.517666.6-72.1000111.6E204 S205 G206 Y282 L283E204-H215 IonicContact OE2-CD2 2.71Å; E204-H215 PolarHBondContact OE2-CD2 2.97Å; E204-H215 IonicContact OE2-CE1 3.49Å; E204-H215 IonicContact OE2-NE2 3.54Å; E204-H215 PolarHBondContact OE2-NE2 3.13Å; S205-H215 WeakPolarHBondContact CA-O 3.48Å; G206-H215 PolarHBondContact N-O 3.33Å; G206-H215 VanDerWaalsContact N-O 3.13Å; G206-H215 PolarHBondContact O-N 2.83Å; H215-Y282 HydrophobicContact CB-CE2 3.81Å; H215-Y282 AromaticContact CD2-CE2 3.63Å; H215-Y282 AromaticContact CG-CE2 3.96Å; H215-L283 CarbonylContact C-O 3.58Å; H215-L283 VanDerWaalsContact CA-O 3.26Å; H215-L283 WeakPolarHBondContact CA-O 3.4Å
216I98.8Very high96.7Very high2 Ų228.8 Ų28.81%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-127.4148.816264.1170.7000109.5E204 V261 L264 L265 N268 Y282 L283E204-I216 CarbonylContact O-C 3.48Å; E204-I216 VanDerWaalsContact O-CA 3.24Å; E204-I216 WeakPolarHBondContact O-CA 3.4Å; I216-V261 HydrophobicContact CG2-CG1 4.15Å; I216-L264 HydrophobicContact CD1-CB 4.13Å; I216-L264 WeakPolarHBondContact CD1-O 3.24Å; I216-L265 HydrophobicContact CB-CD1 4.31Å; I216-L265 HydrophobicContact CG2-CB 3.79Å; I216-L265 HydrophobicContact CG2-CD1 4.03Å; I216-L265 HydrophobicContact CG2-CG 4.49Å; I216-N268 HydrophobicContact CD1-CB 3.76Å; I216-Y282 WeakPolarHBondContact O-CA 3.46Å; I216-L283 HydrophobicContact CD1-CB 4.28Å; I216-L283 HydrophobicContact CD1-CD2 4.41Å; I216-L283 HydrophobicContact CG1-CB 3.83Å; I216-L283 PolarHBondContact N-O 3.43Å; I216-L283 PolarHBondContact O-N 3.24Å
217Q98.8Very high96.7Very high17 Ų1729.5 Ų29.58%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-139.4130.8177.6-176.5178.4-20.300110.5M203 E204 I219 A225 Y281 Y282 M297M203-Q217 CarbonylContact C-O 3.52Å; M203-Q217 WeakPolarHBondContact CA-O 3.47Å; E204-Q217 PolarHBondContact N-O 3.33Å; E204-Q217 PolarHBondContact O-N 3.41Å; Q217-I219 HydrophobicContact CG-CD1 4.44Å; Q217-I219 HydrophobicContact CG-CG1 4Å; Q217-A225 PolarHBondContact NE2-O 2.89Å; Q217-Y281 CarbonylContact C-O 3.44Å; Q217-Y281 WeakPolarHBondContact CA-O 3.48Å; Q217-Y282 HydrophobicContact CB-CD2 4.17Å; Q217-Y282 HydrophobicContact CG-CD2 4.4Å; Q217-M297 HydrophobicContact CG-CE 3.81Å; Q217-M297 VanDerWaalsContact OE1-CE 3.25Å
218L98.8Very high96.8Very high3 Ų327.7 Ų27.72%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-91.3127.3170.9170.762.8000110.2I201 M203 I220 T224 Y272 V279 Y281I201-L218 HydrophobicContact CG2-CD1 3.76Å; M203-L218 HydrophobicContact CE-CD1 3.89Å; M203-L218 HydrophobicContact CG-CB 4.36Å; M203-L218 HydrophobicContact CG-CD1 3.83Å; L218-I220 HydrophobicContact CD1-CG1 4.18Å; L218-I220 HydrophobicContact CD2-CD1 4.13Å; L218-I220 HydrophobicContact CD2-CG1 4.41Å; L218-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CG-CG1 4.12Å; L218-T224 PolarHBondContact O-OG1 3.42Å; L218-T224 VanDerWaalsContact O-OG1 3.1Å; L218-Y272 HydrophobicContact CD2-CD2 4.2Å; L218-Y272 HydrophobicContact CD2-CE2 4.42Å; L218-V279 HydrophobicContact CD2-CG1 3.54Å; L218-Y281 HydrophobicContact CD2-CD1 4.11Å; L218-Y281 HydrophobicContact CD2-CE1 4.27Å; L218-Y281 PolarHBondContact N-O 3.49Å
219I98.8Very high97Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-120.7107.8-176-57.3166.3000108.2W202 E204 Q217 T224 C226W202-I219 HydrophobicContact CD2-CB 4.17Å; W202-I219 HydrophobicContact CD2-CD1 3.95Å; W202-I219 VanDerWaalsContact CE2-CD1 3.47Å; W202-I219 HydrophobicContact CE3-CD1 4.12Å; W202-I219 HydrophobicContact CG-CB 4.21Å; W202-I219 HydrophobicContact CH2-CD1 3.45Å; W202-I219 VanDerWaalsContact CH2-CD1 3.45Å; W202-I219 HydrophobicContact CZ2-CB 4.3Å; W202-I219 HydrophobicContact CZ2-CD1 3.21Å; W202-I219 HydrophobicContact CZ2-CG1 4.31Å; W202-I219 HydrophobicContact CZ2-CG2 4.15Å; W202-I219 HydrophobicContact CZ3-CD1 3.9Å; W202-I219 PolarHBondContact N-O 2.99Å; W202-I219 VanDerWaalsContact N-O 3.08Å; W202-I219 PolarHBondContact O-N 2.86Å; E204-I219 HydrophobicContact CB-CD1 4.07Å; Q217-I219 HydrophobicContact CG-CD1 4.44Å; Q217-I219 HydrophobicContact CG-CG1 4Å; I219-T224 WeakPolarHBondContact CA-OG1 3.15Å; I219-C226 HydrophobicContact CG2-CB 4.17Å
220I98.6Very high97.2Very high23 Ų2323.1 Ų23.112%0.11814%0.14CC..  trans-107.1104.3173.3-58.7168.9000105.8I201 L218 G222 E223 T224 Y281I201-I220 HydrophobicContact CD1-CG1 4.4Å; I201-I220 HydrophobicContact CD1-CG2 4.21Å; I201-I220 HydrophobicContact CG1-CG1 4.43Å; I201-I220 HydrophobicContact CG1-CG2 4.24Å; I201-I220 HydrophobicContact CG2-CG1 3.93Å; L218-I220 HydrophobicContact CD1-CG1 4.18Å; L218-I220 HydrophobicContact CD2-CD1 4.13Å; L218-I220 HydrophobicContact CD2-CG1 4.41Å; L218-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CG-CG1 4.12Å; I220-G222 PolarHBondContact O-N 3.23Å; I220-G222 VanDerWaalsContact O-N 3.15Å; I220-E223 HydrophobicContact CB-CB 4.03Å; I220-E223 HydrophobicContact CG2-CB 3.82Å; I220-E223 PolarHBondContact O-N 2.92Å; I220-T224 PolarHBondContact N-OG1 3.43Å; I220-T224 PolarHBondContact O-N 3.38Å; I220-T224 VanDerWaalsContact O-N 3.08Å; I220-Y281 HydrophobicContact CD1-CE1 4.29Å
221P98.4Very high97.4Very high12 Ų1220.7 Ų20.78%0.07813%0.13CC..BIsolated β-bridgetrans-52.2122.6-176.5-28.435.5000112Q200 Q311Q200-P221 WeakPolarHBondContact O-CD 3.28Å; Q200-P221 VanDerWaalsContact O-CG 3.3Å; Q200-P221 WeakPolarHBondContact O-CG 3.21Å; P221-Q311 HydrophobicContact CB-CB 4.04Å; P221-Q311 HydrophobicContact CB-CG 3.81Å
222G96.7Very high97.3Very high6 Ų622.5 Ų22.56%0.06214%0.141CC..THydrogen-bonded Turntrans95-25.8-179.700000115.5I220 Q311I220-G222 PolarHBondContact O-N 3.23Å; I220-G222 VanDerWaalsContact O-N 3.15Å; G222-Q311 VanDerWaalsContact CA-C 3.47Å
223E96.8Very high97.2Very high53 Ų5327.1 Ų27.125%0.24816%0.164CC..THydrogen-bonded Turntrans-97.7-52.8-179.8179.8176.1164.200111.7I220 F315I220-E223 HydrophobicContact CB-CB 4.03Å; I220-E223 HydrophobicContact CG2-CB 3.82Å; I220-E223 PolarHBondContact O-N 2.92Å; E223-F315 HydrophobicContact CB-CD1 4.34Å; E223-F315 HydrophobicContact CB-CD2 3.78Å; E223-F315 HydrophobicContact CB-CE1 4.15Å; E223-F315 HydrophobicContact CB-CE2 3.56Å; E223-F315 HydrophobicContact CB-CG 4.17Å; E223-F315 HydrophobicContact CB-CZ 3.77Å; E223-F315 HydrophobicContact CG-CD2 4.34Å; E223-F315 HydrophobicContact CG-CE1 4.08Å; E223-F315 HydrophobicContact CG-CE2 3.61Å; E223-F315 HydrophobicContact CG-CZ 3.46Å; E223-F315 VanDerWaalsContact CG-CZ 3.46Å; E223-F315 WeakPolarHBondContact OE2-CE2 3.22Å
224T97.8Very high96.9Very high9 Ų926.3 Ų26.36%0.05516%0.157CC..BIsolated β-bridgetrans-107.8167.3-179.868.40000111.4L218 I219 I220 C226 Y281 M297L218-T224 PolarHBondContact O-OG1 3.42Å; L218-T224 VanDerWaalsContact O-OG1 3.1Å; I219-T224 WeakPolarHBondContact CA-OG1 3.15Å; I220-T224 PolarHBondContact N-OG1 3.43Å; I220-T224 PolarHBondContact O-N 3.38Å; I220-T224 VanDerWaalsContact O-N 3.08Å; T224-C226 PolarHBondContact O-N 3.31Å; T224-Y281 HydrophobicContact CG2-CD1 3.57Å; T224-Y281 HydrophobicContact CG2-CE1 3.76Å; T224-Y281 HydrophobicContact CG2-CG 4.43Å; T224-M297 WeakPolarHBondContact CA-O 3.44Å
225A98.1Very high96.6Very high3 Ų327.8 Ų27.83%0.02516%0.164CC..  trans-59.6120176.100000110.7Q217 C229 M297 K298Q217-A225 PolarHBondContact NE2-O 2.89Å; A225-C229 HydrophobicContact CB-CB 3.95Å; A225-M297 HydrophobicContact CB-CB 3.55Å; A225-M297 PolarHBondContact N-O 2.9Å; A225-K298 WeakPolarHBondContact CB-O 3.16Å
226C98.4Very high96.3Very high2 Ų228.6 Ų28.61%0.01418%0.179CC..  trans-71.9166.4163.184.30000110N192 I219 T224 A228 C229 C303N192-C226 WeakPolarHBondContact OD1-CB 3.42Å; I219-C226 HydrophobicContact CG2-CB 4.17Å; T224-C226 PolarHBondContact O-N 3.31Å; C226-A228 PolarHBondContact O-N 3.48Å; C226-C229 VanDerWaalsContact O-CB 3.26Å; C226-C229 WeakPolarHBondContact O-CB 3.43Å; C226-C229 PolarHBondContact O-N 2.84Å; C226-C303 VanDerWaalsContact SG-SG 3.67Å
227F98.1Very high96.1Very high23 Ų2331 Ų3110%0.10120%0.199CC..G310 helixtrans-60.7-31.6-177.6-162.2-102.2000112.2F185 R188 M189 N192 W202 C229 P232F185-F227 HydrophobicContact CD1-CE1 4.04Å; F185-F227 AromaticContact CD1-CZ 3.76Å; F185-F227 HydrophobicContact CD1-CZ 3.76Å; F185-F227 HydrophobicContact CE1-CZ 4.09Å; R188-F227 HydrophobicContact CB-CD1 4.17Å; R188-F227 HydrophobicContact CB-CE1 3.96Å; R188-F227 HydrophobicContact CB-CZ 4.19Å; M189-F227 HydrophobicContact CG-CD1 4.34Å; M189-F227 HydrophobicContact SD-CD1 3.69Å; M189-F227 HydrophobicContact SD-CE1 4.36Å; N192-F227 HydrophobicContact CB-CB 3.99Å; N192-F227 WeakPolarHBondContact OD1-CB 3.32Å; N192-F227 PolarHBondContact OD1-N 3.24Å; W202-F227 HydrophobicContact CH2-CB 4.14Å; W202-F227 HydrophobicContact CZ2-CB 4.29Å; F227-C229 VanDerWaalsContact C-N 3.32Å; F227-C229 PolarHBondContact O-N 3.39Å; F227-P232 HydrophobicContact CZ-CG 4.48Å
228A97.8Very high95.6Very high5 Ų537.4 Ų37.44%0.04123%0.234CC..G310 helixtrans-78.6-7.1175.700000114.5M189 C226 C303 D305M189-A228 HydrophobicContact CE-CB 4.03Å; M189-A228 HydrophobicContact SD-CB 4.46Å; C226-A228 PolarHBondContact O-N 3.48Å; A228-C303 VanDerWaalsContact C-SG 3.55Å; A228-C303 PolarHBondContact O-SG 3.37Å; A228-D305 HydrophobicContact CB-CB 4.23Å
229C97.8Very high95.2Very high13 Ų1341 Ų419%0.08825%0.253CS..G310 helixtrans-73.2-36.6176.2-740000112.2A225 C226 F227 N300A225-C229 HydrophobicContact CB-CB 3.95Å; C226-C229 VanDerWaalsContact O-CB 3.26Å; C226-C229 WeakPolarHBondContact O-CB 3.43Å; C226-C229 PolarHBondContact O-N 2.84Å; F227-C229 VanDerWaalsContact C-N 3.32Å; F227-C229 PolarHBondContact O-N 3.39Å; C229-N300 HydrophobicContact CB-CB 3.71Å; C229-N300 PolarHBondContact O-ND2 3.37Å; C229-N300 PolarHBondContact SG-N 3.2Å
230A95.8Very high94.5Very high74 Ų7445.3 Ų45.361%0.61228%0.275SS*.SBendtrans-13366.7178.700000109.9
231P94.4Very high93.7Very high48 Ų4845.7 Ų45.731%0.31228%0.277SS..  trans-66.9145.3-174.628.2-34.2000111.2V235 A236P231-V235 HydrophobicContact CB-CB 4.14Å; P231-V235 HydrophobicContact CB-CG1 3.94Å; P231-A236 HydrophobicContact CG-CB 4.12Å
232P92.4Very high92.8Very high37 Ų3752 Ų5224%0.2430%0.303CS..  trans-63.7157171.229.2-35000110.4F185 F227 V234 V235 A236F185-P232 HydrophobicContact CD1-CG 3.82Å; F185-P232 HydrophobicContact CE1-CB 4.32Å; F185-P232 HydrophobicContact CE1-CG 3.7Å; F185-P232 HydrophobicContact CE2-CG 4.47Å; F185-P232 HydrophobicContact CG-CG 4.28Å; F185-P232 HydrophobicContact CZ-CB 4.28Å; F185-P232 HydrophobicContact CZ-CG 4.04Å; F227-P232 HydrophobicContact CZ-CG 4.48Å; P232-V234 HydrophobicContact CB-CG2 4.46Å; P232-V234 HydrophobicContact CG-CG2 4.33Å; P232-V234 PolarHBondContact O-N 3.26Å; P232-V234 VanDerWaalsContact O-N 3.1Å; P232-V235 HydrophobicContact CG-CB 4.12Å; P232-V235 HydrophobicContact CG-CG2 3.76Å; P232-V235 PolarHBondContact O-N 2.93Å; P232-A236 PolarHBondContact O-N 3.19Å
233L92.3Very high91.9Very high140 Ų14056.5 Ų56.573%0.73333%0.33SS*.Hα-helixtrans-51.7-41-174179.861.9000113.2V235 A236 A237L233-V235 VanDerWaalsContact C-N 3.32Å; L233-V235 PolarHBondContact O-N 3.23Å; L233-A236 PolarHBondContact O-N 3.44Å; L233-A237 VanDerWaalsContact O-CB 3.24Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.9Å
234V90.4Very high91Very high30 Ų3058.8 Ų58.818%0.18234%0.343CS..Hα-helixtrans-62.2-38.8-179-59.50000112.2F185 P232 N238 I239 L244F185-V234 HydrophobicContact CD2-CG2 3.57Å; F185-V234 HydrophobicContact CE2-CG2 3.64Å; F185-V234 HydrophobicContact CG-CG2 4.42Å; P232-V234 HydrophobicContact CB-CG2 4.46Å; P232-V234 HydrophobicContact CG-CG2 4.33Å; P232-V234 PolarHBondContact O-N 3.26Å; P232-V234 VanDerWaalsContact O-N 3.1Å; V234-N238 PolarHBondContact O-N 3.04Å; V234-I239 PolarHBondContact O-N 3.09Å; V234-L244 HydrophobicContact CB-CD1 4.36Å; V234-L244 HydrophobicContact CG1-CD1 3.53Å
235V91.9Very high89.8Confident37 Ų3763.6 Ų63.622%0.22436%0.363CS..Hα-helixtrans-73.9-45.9176.1174.70000110F185 M189 P231 P232 L233 A237 N238F185-V235 HydrophobicContact CB-CG2 3.79Å; F185-V235 HydrophobicContact CG-CG2 4.17Å; M189-V235 HydrophobicContact CG-CG1 4.4Å; M189-V235 HydrophobicContact SD-CG1 4.29Å; P231-V235 HydrophobicContact CB-CB 4.14Å; P231-V235 HydrophobicContact CB-CG1 3.94Å; P232-V235 HydrophobicContact CG-CB 4.12Å; P232-V235 HydrophobicContact CG-CG2 3.76Å; P232-V235 PolarHBondContact O-N 2.93Å; L233-V235 VanDerWaalsContact C-N 3.32Å; L233-V235 PolarHBondContact O-N 3.23Å; V235-A237 VanDerWaalsContact C-N 3.28Å; V235-A237 PolarHBondContact O-N 2.77Å; V235-N238 PolarHBondContact O-N 2.79Å; V235-N238 VanDerWaalsContact O-N 3.13Å
236A92.3Very high88.5Confident63 Ų6373.2 Ų73.252%0.52140%0.399SS..Hα-helixtrans-61.7-36-179.300000112.9P231 P232 L233 N238P231-A236 HydrophobicContact CG-CB 4.12Å; P232-A236 PolarHBondContact O-N 3.19Å; L233-A236 PolarHBondContact O-N 3.44Å; A236-N238 VanDerWaalsContact C-N 3.35Å
237A93.1Very high86.7Confident53 Ų5382.6 Ų82.644%0.43844%0.443SS..THydrogen-bonded Turntrans-88.32.2179.200000113.8L233 V235 I239L233-A237 VanDerWaalsContact O-CB 3.24Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.9Å; V235-A237 VanDerWaalsContact C-N 3.28Å; V235-A237 PolarHBondContact O-N 2.77Å; A237-I239 HydrophobicContact CB-CD1 3.83Å; A237-I239 HydrophobicContact CB-CG1 3.87Å; A237-I239 PolarHBondContact O-N 3.34Å
238N89.6Confident84.8Confident151 Ų15185.7 Ų85.781%0.80748%0.48SS*.THydrogen-bonded Turntrans51.939.6-174.7-60.5-61.5000113.3V234 V235 A236V234-N238 PolarHBondContact O-N 3.04Å; V235-N238 PolarHBondContact O-N 2.79Å; V235-N238 VanDerWaalsContact O-N 3.13Å; A236-N238 VanDerWaalsContact C-N 3.35Å
239I89.1Confident83.5Confident80 Ų8090.5 Ų90.541%0.4151%0.509SS..  trans-85.8126.5174.9-62170.8000107.6V234 A237 E241V234-I239 PolarHBondContact O-N 3.09Å; A237-I239 HydrophobicContact CB-CD1 3.83Å; A237-I239 HydrophobicContact CB-CG1 3.87Å; A237-I239 PolarHBondContact O-N 3.34Å; I239-E241 PolarHBondContact O-N 3Å
240D84.6Confident82Confident89 Ų8995.4 Ų95.448%0.47654%0.543SS..  trans-65.4117.8175.2-177.7-4.8000110K242 T243D240-K242 PolarHBondContact O-N 3.44Å; D240-K242 VanDerWaalsContact O-N 3.12Å; D240-K242 VanDerWaalsContact OD1-CB 3.31Å; D240-K242 WeakPolarHBondContact OD1-CB 3.27Å; D240-K242 WeakPolarHBondContact OD1-CG 3.28Å; D240-K242 PolarHBondContact OD1-N 2.82Å; D240-T243 HydrophobicContact CB-CG2 4.08Å; D240-T243 WeakPolarHBondContact O-CB 3.16Å; D240-T243 PolarHBondContact O-N 2.89Å; D240-T243 PolarHBondContact O-OG1 3.34Å
241E81.9Confident81.1Confident32 Ų3294.7 Ų94.715%0.1554%0.536CS..G310 helixtrans-55.4-29.8179.1-167.7-168.9139.200111.9F185 I239 T243 L244 K245F185-E241 HydrophobicContact CD2-CG 4.39Å; F185-E241 PolarHBondContact N-OE2 3.35Å; I239-E241 PolarHBondContact O-N 3Å; E241-T243 PolarHBondContact O-N 2.94Å; E241-L244 WeakPolarHBondContact O-CB 3.3Å; E241-L244 PolarHBondContact O-N 2.83Å; E241-K245 PolarHBondContact O-N 2.85Å; E241-K245 WeakPolarHBondContact OE1-CE 3.3Å; E241-K245 IonicContact OE1-NZ 2.65Å; E241-K245 PolarHBondContact OE1-NZ 3.43Å
242K80.6Confident80.5Confident143 Ų14394.9 Ų94.962%0.62254%0.542SS*.G310 helixtrans-62.5-25.2177.4-63.1172.5-173.6168.40112.4D240 L244D240-K242 PolarHBondContact O-N 3.44Å; D240-K242 VanDerWaalsContact O-N 3.12Å; D240-K242 VanDerWaalsContact OD1-CB 3.31Å; D240-K242 WeakPolarHBondContact OD1-CB 3.27Å; D240-K242 WeakPolarHBondContact OD1-CG 3.28Å; D240-K242 PolarHBondContact OD1-N 2.82Å; K242-L244 VanDerWaalsContact C-N 3.27Å; K242-L244 PolarHBondContact O-N 3.37Å
243T77.7Confident79.8Confident102 Ų10294.4 Ų94.463%0.62654%0.539SS*.G310 helixtrans-74.1-18.4176.167.30000113.2D240 E241D240-T243 HydrophobicContact CB-CG2 4.08Å; D240-T243 WeakPolarHBondContact O-CB 3.16Å; D240-T243 PolarHBondContact O-N 2.89Å; D240-T243 PolarHBondContact O-OG1 3.34Å; E241-T243 PolarHBondContact O-N 2.94Å
244L76.2Confident79.6Confident101 Ų10191.7 Ų91.753%0.52953%0.525SS..THydrogen-bonded Turntrans-87.9-29178.2-63.9167.5000112V234 E241 K242 R246V234-L244 HydrophobicContact CB-CD1 4.36Å; V234-L244 HydrophobicContact CG1-CD1 3.53Å; E241-L244 WeakPolarHBondContact O-CB 3.3Å; E241-L244 PolarHBondContact O-N 2.83Å; K242-L244 VanDerWaalsContact C-N 3.27Å; K242-L244 PolarHBondContact O-N 3.37Å; L244-R246 PolarHBondContact O-N 2.9Å
245K73Confident79.8Confident109 Ų10992.3 Ų92.347%0.47453%0.53SS..  trans-76.9112.7178.5-65.7-175.5-177.3171.50110E241E241-K245 PolarHBondContact O-N 2.85Å; E241-K245 WeakPolarHBondContact OE1-CE 3.3Å; E241-K245 IonicContact OE1-NZ 2.65Å; E241-K245 PolarHBondContact OE1-NZ 3.43Å
246R71.3Confident80Confident205 Ų20594.5 Ų94.577%0.77454%0.544SS*.  trans-85.9133.6172.7-66.8-176.3179.9177.60.7110.1L244 G248 V249L244-R246 PolarHBondContact O-N 2.9Å; R246-G248 PolarHBondContact O-N 2.96Å; R246-V249 HydrophobicContact CB-CB 4.39Å; R246-V249 HydrophobicContact CB-CG2 3.92Å; R246-V249 PolarHBondContact O-N 3.21Å; R246-V249 VanDerWaalsContact O-N 3.13Å
247E61Low80.2Confident200 Ų20091.7 Ų91.794%0.93552%0.52SS*.THydrogen-bonded Turntrans-55.7133.7174-71.1-171.5167.200111V249E247-V249 VanDerWaalsContact C-N 3.33Å; E247-V249 PolarHBondContact O-N 3.02Å
248G58.1Low80.4Confident87 Ų8789.9 Ų89.990%0.89750%0.503SS*.THydrogen-bonded Turntrans82.6-1.5-178.400000115.7R246R246-G248 PolarHBondContact O-N 2.96Å
249V69.6Low80.8Confident106 Ų10683.7 Ų83.764%0.64247%0.474SS*.  trans-103.7112173.8-174.90000109.3R246 E247R246-V249 HydrophobicContact CB-CB 4.39Å; R246-V249 HydrophobicContact CB-CG2 3.92Å; R246-V249 PolarHBondContact O-N 3.21Å; R246-V249 VanDerWaalsContact O-N 3.13Å; E247-V249 VanDerWaalsContact C-N 3.33Å; E247-V249 PolarHBondContact O-N 3.02Å
250C67.7Low81.2Confident117 Ų11782.1 Ų82.179%0.79147%0.468SS*.PPolyproline II helixtrans-93.7141.6172.8-66.10000110.1A252C250-A252 PolarHBondContact O-N 2.83Å
251A77.1Confident81.9Confident58 Ų5878 Ų7848%0.47945%0.446SS..PPolyproline II helixtrans-5813716600000109.4E209 S253E209-A251 HydrophobicContact CB-CB 4.33Å; E209-A251 HydrophobicContact CG-CB 4.46Å; A251-S253 PolarHBondContact O-N 3.46Å
252A80.5Confident82.7Confident53 Ų5376.4 Ų76.444%0.43844%0.439SS..PPolyproline II helixtrans-61.1139.7170.300000108.2E209 A211 C250E209-A252 WeakPolarHBondContact O-CA 3.3Å; E209-A252 WeakPolarHBondContact O-CB 3.46Å; E209-A252 PolarHBondContact O-N 3.49Å; A211-A252 HydrophobicContact CB-CB 4.28Å; C250-A252 PolarHBondContact O-N 2.83Å
253S77.9Confident83.5Confident26 Ų2670.8 Ų70.818%0.18242%0.421CS..  trans-134.9123.8172.942.90000109.6N114 R115 A251N114-S253 PolarHBondContact ND2-O 3.25Å; N114-S253 VanDerWaalsContact ND2-O 3.14Å; N114-S253 PolarHBondContact ND2-OG 2.77Å; R115-S253 PolarHBondContact NE-OG 2.97Å; A251-S253 PolarHBondContact O-N 3.46Å
254L89.3Confident84.6Confident83 Ų8368 Ų6844%0.43540%0.402SS..  trans-107.7128173.2-117.8114.2000109.1A211 T256 T257 M258A211-L254 HydrophobicContact CB-CB 4Å; A211-L254 HydrophobicContact CB-CD1 4.46Å; L254-T256 HydrophobicContact CD2-CG2 4.3Å; L254-T256 WeakPolarHBondContact CD2-OG1 3.06Å; L254-T256 PolarHBondContact O-N 3.36Å; L254-T257 PolarHBondContact O-N 3.45Å; L254-M258 WeakPolarHBondContact O-CG 3.36Å; L254-M258 PolarHBondContact O-N 3.45Å
255P93.5Very high85.6Confident44 Ų4463.1 Ų63.129%0.28638%0.377SS..Hα-helixtrans-62.8-26.6178.824.6-33.2000112.2N114 L116 G259N114-P255 WeakPolarHBondContact O-CG 3.42Å; L116-P255 HydrophobicContact CD2-CB 4.44Å; L116-P255 HydrophobicContact CG-CB 4.14Å; P255-G259 PolarHBondContact O-N 2.89Å
256T96.6Very high86.9Confident83 Ų8358.2 Ų58.251%0.50936%0.356SS..Hα-helixtrans-66-51.4176.856.80000111.5L254 M258 G259 V260L254-T256 HydrophobicContact CD2-CG2 4.3Å; L254-T256 WeakPolarHBondContact CD2-OG1 3.06Å; L254-T256 PolarHBondContact O-N 3.36Å; T256-M258 VanDerWaalsContact C-N 3.3Å; T256-M258 PolarHBondContact O-N 2.82Å; T256-G259 PolarHBondContact O-N 3.42Å; T256-G259 VanDerWaalsContact O-N 3.14Å; T256-V260 WeakPolarHBondContact O-CG2 3.33Å; T256-V260 PolarHBondContact O-N 3.05Å
257T96.5Very high88.2Confident3 Ų353 Ų532%0.01834%0.34CS..Hα-helixtrans-61.9-40.8179.4-50.10000111.1V207 A211 L254 V260 V261 Y285V207-T257 HydrophobicContact CG1-CG2 3.8Å; V207-T257 HydrophobicContact CG2-CG2 4.41Å; A211-T257 WeakPolarHBondContact O-CB 3.24Å; A211-T257 WeakPolarHBondContact O-CG2 3.2Å; A211-T257 PolarHBondContact O-OG1 2.92Å; L254-T257 PolarHBondContact O-N 3.45Å; T257-V260 PolarHBondContact O-N 3.32Å; T257-V261 WeakPolarHBondContact O-CG2 3.35Å; T257-V261 PolarHBondContact O-N 2.9Å; T257-Y285 HydrophobicContact CG2-CD1 4.14Å; T257-Y285 HydrophobicContact CG2-CE1 4Å
258M96.1Very high90Very high16 Ų1643.5 Ų43.58%0.07930%0.296CS..Hα-helixtrans-62.4-44.1174.5-68.5173.6168.500111.9V84 R115 L254 T256 V261 A262V84-M258 HydrophobicContact CG2-CB 4.33Å; V84-M258 HydrophobicContact CG2-CG 4.27Å; R115-M258 HydrophobicContact CB-SD 4.27Å; R115-M258 HydrophobicContact CG-CE 4.34Å; R115-M258 HydrophobicContact CG-SD 3.77Å; L254-M258 WeakPolarHBondContact O-CG 3.36Å; L254-M258 PolarHBondContact O-N 3.45Å; T256-M258 VanDerWaalsContact C-N 3.3Å; T256-M258 PolarHBondContact O-N 2.82Å; M258-V261 PolarHBondContact O-N 3.03Å; M258-A262 VanDerWaalsContact O-CB 3.27Å; M258-A262 WeakPolarHBondContact O-CB 3.26Å; M258-A262 PolarHBondContact O-N 3.24Å
259G97.9Very high91.9Very high20 Ų2039.4 Ų39.421%0.20625%0.253CS..Hα-helixtrans-63.8-41.6176.400000113.3P255 T256 G263P255-G259 PolarHBondContact O-N 2.89Å; T256-G259 PolarHBondContact O-N 3.42Å; T256-G259 VanDerWaalsContact O-N 3.14Å; G259-G263 PolarHBondContact O-N 2.63Å
260V98.4Very high93.3Very high48 Ų4835 Ų3529%0.29123%0.226SC..Hα-helixtrans-61.5-51.7175.1171.90000110.3T256 T257 A262 G263 L264 Y285 F292T256-V260 WeakPolarHBondContact O-CG2 3.33Å; T256-V260 PolarHBondContact O-N 3.05Å; T257-V260 PolarHBondContact O-N 3.32Å; V260-A262 PolarHBondContact O-N 3.47Å; V260-G263 PolarHBondContact O-N 3.28Å; V260-L264 HydrophobicContact CG1-CD1 4.02Å; V260-L264 HydrophobicContact CG1-CG 4.37Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 3.47Å; V260-Y285 HydrophobicContact CB-CD1 4.22Å; V260-Y285 HydrophobicContact CB-CE1 3.98Å; V260-Y285 HydrophobicContact CG1-CD1 3.68Å; V260-Y285 HydrophobicContact CG1-CD2 4.24Å; V260-Y285 HydrophobicContact CG1-CE1 3.77Å; V260-Y285 HydrophobicContact CG1-CE2 4.33Å; V260-Y285 HydrophobicContact CG1-CG 3.91Å; V260-Y285 HydrophobicContact CG2-CE1 4.21Å; V260-F292 HydrophobicContact CG1-CE1 4.31Å
261V98.6Very high94.8Very high1 Ų131 Ų311%0.00620%0.195CC..Hα-helixtrans-64.1-42.4-178.7173.60000111.6V84 V207 I216 T257 M258 L264 L265V84-V261 HydrophobicContact CG1-CG1 4.16Å; V84-V261 HydrophobicContact CG2-CG1 4.33Å; V207-V261 HydrophobicContact CG2-CB 4.28Å; V207-V261 HydrophobicContact CG2-CG1 4.46Å; V207-V261 HydrophobicContact CG2-CG2 4.01Å; I216-V261 HydrophobicContact CG2-CG1 4.15Å; T257-V261 WeakPolarHBondContact O-CG2 3.35Å; T257-V261 PolarHBondContact O-N 2.9Å; M258-V261 PolarHBondContact O-N 3.03Å; V261-L264 PolarHBondContact O-N 2.97Å; V261-L265 VanDerWaalsContact O-CB 3.28Å; V261-L265 WeakPolarHBondContact O-CB 3.31Å; V261-L265 PolarHBondContact O-N 3.42Å
262A98.7Very high95.8Very high0 Ų030.3 Ų30.30%018%0.181CC..Hα-helixtrans-62.9-42.9175.700000112V84 V87 M258 V260 L265 V266V84-A262 HydrophobicContact CG1-CB 4.11Å; V87-A262 HydrophobicContact CB-CB 3.78Å; V87-A262 HydrophobicContact CG1-CB 3.68Å; M258-A262 VanDerWaalsContact O-CB 3.27Å; M258-A262 WeakPolarHBondContact O-CB 3.26Å; M258-A262 PolarHBondContact O-N 3.24Å; V260-A262 PolarHBondContact O-N 3.47Å; A262-L265 PolarHBondContact O-N 3.36Å; A262-V266 WeakPolarHBondContact O-CG2 3.27Å; A262-V266 PolarHBondContact O-N 3.19Å
263G98.8Very high96.6Very high24 Ų2428 Ų2825%0.24716%0.161CC..Hα-helixtrans-61.4-47175.600000112.4G259 V260 L265 Q267G259-G263 PolarHBondContact O-N 2.63Å; V260-G263 PolarHBondContact O-N 3.28Å; G263-L265 VanDerWaalsContact C-N 3.35Å; G263-L265 PolarHBondContact O-N 2.92Å; G263-Q267 WeakPolarHBondContact O-CB 3.4Å; G263-Q267 PolarHBondContact O-N 3.24Å
264L98.8Very high97.6Very high43 Ų4327.6 Ų27.623%0.22516%0.157CC..Hα-helixtrans-61.4-43.3175.3-68.8178.6000111.6I216 V260 V261 Q267 N268 L283 F292I216-L264 HydrophobicContact CD1-CB 4.13Å; I216-L264 WeakPolarHBondContact CD1-O 3.24Å; V260-L264 HydrophobicContact CG1-CD1 4.02Å; V260-L264 HydrophobicContact CG1-CG 4.37Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 3.47Å; V261-L264 PolarHBondContact O-N 2.97Å; L264-Q267 PolarHBondContact O-N 2.84Å; L264-N268 PolarHBondContact O-N 2.63Å; L264-L283 HydrophobicContact CB-CD2 4.37Å; L264-L283 HydrophobicContact CD1-CD2 3.94Å; L264-L283 HydrophobicContact CD1-CG 4.35Å; L264-L283 HydrophobicContact CD2-CD2 3.78Å; L264-L283 HydrophobicContact CG-CD2 4.24Å; L264-F292 HydrophobicContact CD1-CD1 4.27Å; L264-F292 HydrophobicContact CD1-CE1 4.14Å
265L98.9Very high98Very high0 Ų030.5 Ų30.50%017%0.166CC..Hα-helixtrans-59.3-56.2178.6-17862.3000110.5T88 L179 M203 I216 V261 A262 G263 Q267 N268 V269T88-L265 HydrophobicContact CG2-CD2 3.99Å; L179-L265 HydrophobicContact CD2-CD1 4.34Å; M203-L265 HydrophobicContact CB-CD1 3.73Å; M203-L265 HydrophobicContact SD-CD1 4.23Å; I216-L265 HydrophobicContact CB-CD1 4.31Å; I216-L265 HydrophobicContact CG2-CB 3.79Å; I216-L265 HydrophobicContact CG2-CD1 4.03Å; I216-L265 HydrophobicContact CG2-CG 4.49Å; V261-L265 VanDerWaalsContact O-CB 3.28Å; V261-L265 WeakPolarHBondContact O-CB 3.31Å; V261-L265 PolarHBondContact O-N 3.42Å; A262-L265 PolarHBondContact O-N 3.36Å; G263-L265 VanDerWaalsContact C-N 3.35Å; G263-L265 PolarHBondContact O-N 2.92Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 3.37Å; L265-N268 WeakPolarHBondContact O-CB 3.4Å; L265-N268 PolarHBondContact O-N 3.21Å; L265-V269 WeakPolarHBondContact O-CG2 3.5Å; L265-V269 PolarHBondContact O-N 3.41Å
266V98.9Very high98.1Very high5 Ų530.1 Ų30.13%0.0316%0.16CC..Hα-helixtrans-64.8-37.1-178.51760000111.5T88 M91 L92 A262 N268 V269 L270T88-V266 HydrophobicContact CG2-CG2 3.74Å; M91-V266 HydrophobicContact CB-CB 4.3Å; M91-V266 HydrophobicContact CB-CG1 4.01Å; M91-V266 HydrophobicContact CB-CG2 4.01Å; M91-V266 HydrophobicContact SD-CB 4.34Å; M91-V266 HydrophobicContact SD-CG2 4.32Å; L92-V266 HydrophobicContact CD2-CG1 3.88Å; L92-V266 HydrophobicContact CG-CG1 4.15Å; L92-V266 HydrophobicContact CG-CG2 4.12Å; A262-V266 WeakPolarHBondContact O-CG2 3.27Å; A262-V266 PolarHBondContact O-N 3.19Å; V266-N268 VanDerWaalsContact C-N 3.26Å; V266-N268 PolarHBondContact O-N 3.35Å; V266-V269 WeakPolarHBondContact O-CB 3.47Å; V266-V269 PolarHBondContact O-N 3.31Å; V266-V269 VanDerWaalsContact O-N 3.14Å; V266-L270 HydrophobicContact CG1-CD1 4.33Å; V266-L270 HydrophobicContact CG1-CG 4.28Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.93Å
267Q98.8Very high98Very high95 Ų9529.5 Ų29.544%0.44417%0.17SC..Hα-helixtrans-59.7-39.7173.6-170.566.80.700111.5G263 L264 L265 L270 K271G263-Q267 WeakPolarHBondContact O-CB 3.4Å; G263-Q267 PolarHBondContact O-N 3.24Å; L264-Q267 PolarHBondContact O-N 2.84Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 3.37Å; Q267-L270 PolarHBondContact O-N 3.13Å; Q267-K271 WeakPolarHBondContact O-CG 3.45Å; Q267-K271 PolarHBondContact O-N 3.36Å
268N98.8Very high98.1Very high2 Ų235 Ų351%0.01120%0.204CC..Hα-helixtrans-69.4-36.8175.7-15148.6000112.4M203 I216 L264 L265 V266 K271 Y272 S280M203-N268 HydrophobicContact CE-CB 4.39Å; M203-N268 HydrophobicContact SD-CB 4.11Å; I216-N268 HydrophobicContact CD1-CB 3.76Å; L264-N268 PolarHBondContact O-N 2.63Å; L265-N268 WeakPolarHBondContact O-CB 3.4Å; L265-N268 PolarHBondContact O-N 3.21Å; V266-N268 VanDerWaalsContact C-N 3.26Å; V266-N268 PolarHBondContact O-N 3.35Å; N268-K271 WeakPolarHBondContact OD1-CE 3.25Å; N268-K271 PolarHBondContact OD1-NZ 3.28Å; N268-Y272 VanDerWaalsContact O-CB 3.24Å; N268-Y272 WeakPolarHBondContact O-CB 3.37Å; N268-Y272 PolarHBondContact O-N 3.41Å; N268-S280 PolarHBondContact ND2-O 3.47Å; N268-S280 PolarHBondContact OD1-N 3.36Å
269V98.9Very high98.2Very high0 Ų036.1 Ų36.10%021%0.211CC..Hα-helixtrans-59.1-48.6172.1175.10000110.9L92 L177 L179 M203 L265 V266 Y272 L273L92-V269 HydrophobicContact CD2-CG1 3.98Å; L177-V269 HydrophobicContact CD2-CB 4.27Å; L177-V269 HydrophobicContact CD2-CG1 3.96Å; L177-V269 HydrophobicContact CD2-CG2 3.73Å; L179-V269 HydrophobicContact CD1-CG2 3.99Å; L179-V269 HydrophobicContact CD2-CG2 3.64Å; L179-V269 HydrophobicContact CG-CG2 4.48Å; M203-V269 HydrophobicContact CE-CG2 4.42Å; M203-V269 HydrophobicContact SD-CG2 3.78Å; L265-V269 WeakPolarHBondContact O-CG2 3.5Å; L265-V269 PolarHBondContact O-N 3.41Å; V266-V269 WeakPolarHBondContact O-CB 3.47Å; V266-V269 PolarHBondContact O-N 3.31Å; V266-V269 VanDerWaalsContact O-N 3.14Å; V269-Y272 PolarHBondContact O-N 2.71Å; V269-L273 HydrophobicContact CG1-CD1 3.66Å; V269-L273 HydrophobicContact CG1-CG 4.2Å; V269-L273 WeakPolarHBondContact O-CB 3.42Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 2.82Å
270L98.7Very high98.2Very high14 Ų1436.2 Ų36.27%0.07321%0.209CC..Hα-helixtrans-62.9-48.7179.7-66.2178.7000111.3I71 C95 V266 Q267 Y272 L273 L274 F276I71-L270 HydrophobicContact CD1-CD2 3.66Å; I71-L270 HydrophobicContact CG1-CD2 4.31Å; C95-L270 HydrophobicContact CB-CD2 4.46Å; V266-L270 HydrophobicContact CG1-CD1 4.33Å; V266-L270 HydrophobicContact CG1-CG 4.28Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.93Å; Q267-L270 PolarHBondContact O-N 3.13Å; L270-Y272 PolarHBondContact O-N 2.92Å; L270-L273 PolarHBondContact O-N 2.88Å; L270-L274 HydrophobicContact CD2-CD1 4.25Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.35Å; L270-L274 PolarHBondContact O-N 2.93Å; L270-F276 HydrophobicContact CB-CE1 3.92Å; L270-F276 HydrophobicContact CB-CZ 4Å; L270-F276 VanDerWaalsContact O-CE1 3.29Å; L270-F276 WeakPolarHBondContact O-CE1 3.3Å
271K98.5Very high98.1Very high33 Ų3338.2 Ų38.214%0.14321%0.212CC..Hα-helixtrans-54-43.5174.4-72.5-174.1-60.1179.30111.4Q267 N268 K275 F276 T278 V279Q267-K271 WeakPolarHBondContact O-CG 3.45Å; Q267-K271 PolarHBondContact O-N 3.36Å; N268-K271 WeakPolarHBondContact OD1-CE 3.25Å; N268-K271 PolarHBondContact OD1-NZ 3.28Å; K271-K275 WeakPolarHBondContact O-CA 3.29Å; K271-K275 PolarHBondContact O-N 2.98Å; K271-F276 WeakPolarHBondContact CA-O 3.46Å; K271-F276 VanDerWaalsContact CB-O 3.31Å; K271-F276 WeakPolarHBondContact CB-O 3.36Å; K271-F276 HydrophobicContact CG-CD2 4.2Å; K271-F276 HydrophobicContact CG-CE1 4.34Å; K271-F276 HydrophobicContact CG-CE2 3.76Å; K271-F276 HydrophobicContact CG-CZ 3.84Å; K271-F276 WeakPolarHBondContact CG-O 3.24Å; K271-F276 PolarHBondContact O-N 2.71Å; K271-T278 WeakPolarHBondContact CD-O 3.3Å; K271-T278 WeakPolarHBondContact CE-O 3.28Å; K271-T278 PolarHBondContact NZ-O 2.79Å; K271-V279 HydrophobicContact CB-CG2 3.99Å
272Y98.5Very high98.1Very high43 Ų4340.6 Ų40.617%0.16922%0.221CC..Hα-helixtrans-68.5-46.4-178.2-177.5-94.6000113.4L177 I201 M203 L218 N268 V269 L270 K275 V279L177-Y272 HydrophobicContact CD1-CD1 4.22Å; L177-Y272 HydrophobicContact CD1-CE1 4.13Å; I201-Y272 WeakPolarHBondContact CD1-OH 3.44Å; M203-Y272 HydrophobicContact CE-CG 4.07Å; L218-Y272 HydrophobicContact CD2-CD2 4.2Å; L218-Y272 HydrophobicContact CD2-CE2 4.42Å; N268-Y272 VanDerWaalsContact O-CB 3.24Å; N268-Y272 WeakPolarHBondContact O-CB 3.37Å; N268-Y272 PolarHBondContact O-N 3.41Å; V269-Y272 PolarHBondContact O-N 2.71Å; L270-Y272 PolarHBondContact O-N 2.92Å; Y272-K275 WeakPolarHBondContact O-CD 3.47Å; Y272-K275 VanDerWaalsContact O-CE 3.23Å; Y272-K275 WeakPolarHBondContact O-CE 3.38Å; Y272-K275 PolarHBondContact O-NZ 3.49Å; Y272-V279 HydrophobicContact CD2-CG1 4.24Å; Y272-V279 HydrophobicContact CD2-CG2 4.38Å
273L98.3Very high98.1Very high6 Ų641.6 Ų41.63%0.03123%0.226CC..Hα-helixtrans-77.2-41.4-176.7-67.7179.2000112.3I71 F74 V76 I97 D176 V269 L270I71-L273 HydrophobicContact CD1-CD1 4.42Å; F74-L273 HydrophobicContact CB-CD1 4.05Å; F74-L273 HydrophobicContact CD1-CD2 4.06Å; F74-L273 HydrophobicContact CD2-CB 3.92Å; F74-L273 HydrophobicContact CD2-CD1 4.07Å; F74-L273 HydrophobicContact CD2-CD2 4.47Å; F74-L273 HydrophobicContact CD2-CG 4.38Å; F74-L273 HydrophobicContact CE1-CD2 4.26Å; F74-L273 HydrophobicContact CE2-CB 3.78Å; F74-L273 HydrophobicContact CG-CB 4.44Å; F74-L273 HydrophobicContact CG-CD1 4.08Å; F74-L273 HydrophobicContact CG-CD2 4.15Å; F74-L273 HydrophobicContact CG-CG 4.46Å; F74-L273 HydrophobicContact CZ-CB 4.16Å; F74-L273 WeakPolarHBondContact CZ-O 3.37Å; V76-L273 HydrophobicContact CG2-CD1 4.21Å; I97-L273 HydrophobicContact CD1-CD1 4.29Å; D176-L273 HydrophobicContact CB-CD2 4.02Å; V269-L273 HydrophobicContact CG1-CD1 3.66Å; V269-L273 HydrophobicContact CG1-CG 4.2Å; V269-L273 WeakPolarHBondContact O-CB 3.42Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 2.82Å; L270-L273 PolarHBondContact O-N 2.88Å
274L97.8Very high98.1Very high16 Ų1640.6 Ų40.68%0.08422%0.216CC..Hα-helixtrans-93.5-0.6-175.7-58.2175.7000113.7V65 Y68 K70 I71 F74 L270 F276V65-L274 HydrophobicContact CG1-CB 3.93Å; V65-L274 HydrophobicContact CG1-CD1 4.17Å; Y68-L274 HydrophobicContact CD2-CD1 4.04Å; Y68-L274 HydrophobicContact CE2-CD1 4.07Å; K70-L274 HydrophobicContact CB-CD2 4.12Å; I71-L274 HydrophobicContact CB-CD1 4.45Å; I71-L274 HydrophobicContact CB-CD2 4.12Å; I71-L274 HydrophobicContact CD1-CD1 4.37Å; I71-L274 HydrophobicContact CD1-CD2 4.43Å; I71-L274 HydrophobicContact CD1-CG 4.4Å; F74-L274 HydrophobicContact CE2-CD2 4.16Å; L270-L274 HydrophobicContact CD2-CD1 4.25Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.35Å; L270-L274 PolarHBondContact O-N 2.93Å; L274-F276 HydrophobicContact CB-CD1 3.75Å; L274-F276 HydrophobicContact CB-CE1 3.96Å; L274-F276 HydrophobicContact CD1-CE1 4.3Å; L274-F276 PolarHBondContact O-N 3.4Å
275K97.3Very high98.1Very high145 Ų14540 Ų4063%0.6321%0.211SC*.THydrogen-bonded Turntrans57.347.2172-52.4-58.9178.5-162.70113.9K271 Y272K271-K275 WeakPolarHBondContact O-CA 3.29Å; K271-K275 PolarHBondContact O-N 2.98Å; Y272-K275 WeakPolarHBondContact O-CD 3.47Å; Y272-K275 VanDerWaalsContact O-CE 3.23Å; Y272-K275 WeakPolarHBondContact O-CE 3.38Å; Y272-K275 PolarHBondContact O-NZ 3.49Å
276F95.9Very high98Very high35 Ų3542 Ų4215%0.15422%0.222CC..  trans-124.9153.3173.773.4-83.3000111.7I64 V65 L270 K271 L274I64-F276 HydrophobicContact CG2-CD2 4.27Å; I64-F276 VanDerWaalsContact O-CB 3.3Å; I64-F276 WeakPolarHBondContact O-CB 3.42Å; V65-F276 HydrophobicContact CG1-CD1 4.43Å; V65-F276 HydrophobicContact CG2-CB 4.26Å; V65-F276 HydrophobicContact CG2-CD1 3.66Å; V65-F276 HydrophobicContact CG2-CD2 4.17Å; V65-F276 HydrophobicContact CG2-CE1 3.96Å; V65-F276 HydrophobicContact CG2-CE2 4.45Å; V65-F276 HydrophobicContact CG2-CG 3.77Å; V65-F276 HydrophobicContact CG2-CZ 4.36Å; L270-F276 HydrophobicContact CB-CE1 3.92Å; L270-F276 HydrophobicContact CB-CZ 4Å; L270-F276 VanDerWaalsContact O-CE1 3.29Å; L270-F276 WeakPolarHBondContact O-CE1 3.3Å; K271-F276 WeakPolarHBondContact CA-O 3.46Å; K271-F276 VanDerWaalsContact CB-O 3.31Å; K271-F276 WeakPolarHBondContact CB-O 3.36Å; K271-F276 HydrophobicContact CG-CD2 4.2Å; K271-F276 HydrophobicContact CG-CE1 4.34Å; K271-F276 HydrophobicContact CG-CE2 3.76Å; K271-F276 HydrophobicContact CG-CZ 3.84Å; K271-F276 WeakPolarHBondContact CG-O 3.24Å; K271-F276 PolarHBondContact O-N 2.71Å; L274-F276 HydrophobicContact CB-CD1 3.75Å; L274-F276 HydrophobicContact CB-CE1 3.96Å; L274-F276 HydrophobicContact CD1-CE1 4.3Å; L274-F276 PolarHBondContact O-N 3.4Å
277G95.5Very high97.9Very high70 Ų7043.1 Ų43.172%0.72223%0.232SC*.SBendtrans57-162.3-177.800000113.5
278T97.4Very high97.8Very high119 Ų11945.2 Ų45.273%0.7324%0.243SC*.PPolyproline II helixtrans-103.5117.5-178.6-50.90000110.8K271K271-T278 WeakPolarHBondContact CD-O 3.3Å; K271-T278 WeakPolarHBondContact CE-O 3.28Å; K271-T278 PolarHBondContact NZ-O 2.79Å
279V98.1Very high97.7Very high39 Ų3952 Ų5224%0.23628%0.275CS..PPolyproline II helixtrans-69.6133.7174.31800000110L218 K271 Y272L218-V279 HydrophobicContact CD2-CG1 3.54Å; K271-V279 HydrophobicContact CB-CG2 3.99Å; Y272-V279 HydrophobicContact CD2-CG1 4.24Å; Y272-V279 HydrophobicContact CD2-CG2 4.38Å
280S98.3Very high97.7Very high23 Ų2357.7 Ų57.716%0.16131%0.305CS..PPolyproline II helixtrans-90.5126.9178.4-560000110.1N268N268-S280 PolarHBondContact ND2-O 3.47Å; N268-S280 PolarHBondContact OD1-N 3.36Å
281Y97.8Very high97.6Very high89 Ų8962.4 Ų62.435%0.34933%0.325SS..SBendtrans-75-37.5173.5-68.2-65.8000112.4Q217 L218 I220 T224 A296Q217-Y281 CarbonylContact C-O 3.44Å; Q217-Y281 WeakPolarHBondContact CA-O 3.48Å; L218-Y281 HydrophobicContact CD2-CD1 4.11Å; L218-Y281 HydrophobicContact CD2-CE1 4.27Å; L218-Y281 PolarHBondContact N-O 3.49Å; I220-Y281 HydrophobicContact CD1-CE1 4.29Å; T224-Y281 HydrophobicContact CG2-CD1 3.57Å; T224-Y281 HydrophobicContact CG2-CE1 3.76Å; T224-Y281 HydrophobicContact CG2-CG 4.43Å; Y281-A296 HydrophobicContact CD2-CB 3.98Å; Y281-A296 HydrophobicContact CG-CB 4.43Å
282Y98.6Very high97.6Very high52 Ų5265.3 Ų65.320%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-144.9138.3168.2176.4-88.6000108.4H215 I216 Q217 T294 M295 M297H215-Y282 HydrophobicContact CB-CE2 3.81Å; H215-Y282 AromaticContact CD2-CE2 3.63Å; H215-Y282 AromaticContact CG-CE2 3.96Å; I216-Y282 WeakPolarHBondContact O-CA 3.46Å; Q217-Y282 HydrophobicContact CB-CD2 4.17Å; Q217-Y282 HydrophobicContact CG-CD2 4.4Å; Y282-T294 WeakPolarHBondContact O-CA 3.34Å; Y282-M295 WeakPolarHBondContact CB-O 3.34Å; Y282-M295 HydrophobicContact CD1-CB 3.97Å; Y282-M295 HydrophobicContact CD1-CG 4.17Å; Y282-M295 HydrophobicContact CD1-SD 4.44Å; Y282-M295 HydrophobicContact CG-CB 4.38Å; Y282-M295 PolarHBondContact N-O 3.26Å; Y282-M295 PolarHBondContact O-N 3.33Å; Y282-M295 VanDerWaalsContact O-N 3.13Å; Y282-M297 HydrophobicContact CD2-CE 3.35Å; Y282-M297 HydrophobicContact CE2-CE 4.09Å; Y282-M297 HydrophobicContact CG-CE 3.84Å
283L98.5Very high97.5Very high21 Ų2164.5 Ų64.511%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-139.7114.2173175.462.9000108.6H215 I216 L264 F292 P293 T294H215-L283 CarbonylContact C-O 3.58Å; H215-L283 VanDerWaalsContact CA-O 3.26Å; H215-L283 WeakPolarHBondContact CA-O 3.4Å; I216-L283 HydrophobicContact CD1-CB 4.28Å; I216-L283 HydrophobicContact CD1-CD2 4.41Å; I216-L283 HydrophobicContact CG1-CB 3.83Å; I216-L283 PolarHBondContact N-O 3.43Å; I216-L283 PolarHBondContact O-N 3.24Å; L264-L283 HydrophobicContact CB-CD2 4.37Å; L264-L283 HydrophobicContact CD1-CD2 3.94Å; L264-L283 HydrophobicContact CD1-CG 4.35Å; L264-L283 HydrophobicContact CD2-CD2 3.78Å; L264-L283 HydrophobicContact CG-CD2 4.24Å; L283-F292 HydrophobicContact CD1-CB 4.12Å; L283-P293 WeakPolarHBondContact CA-O 3.04Å; L283-T294 HydrophobicContact CD1-CG2 3.8Å
284G98.2Very high97.5Very high3 Ų369 Ų693%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-86.1160.8172.600000111.9G214 F292 P293G214-G284 CarbonylContact O-C 3.52Å; G284-F292 VanDerWaalsContact O-CA 3.3Å; G284-F292 WeakPolarHBondContact O-CA 3.5Å; G284-P293 PolarHBondContact N-O 2.77Å
285Y98.4Very high97.4Very high29 Ų2973.7 Ų73.711%0.11439%0.389CS..EExtended strand (participates in β ladder)trans-134.7121.4169.6170.2-131.4000108.9S213 G214 T257 V260 A287 F292S213-Y285 CarbonylContact C-O 3.57Å; S213-Y285 WeakPolarHBondContact CA-O 3.33Å; S213-Y285 WeakPolarHBondContact CB-O 3.38Å; G214-Y285 PolarHBondContact N-O 2.96Å; G214-Y285 PolarHBondContact O-N 2.84Å; T257-Y285 HydrophobicContact CG2-CD1 4.14Å; T257-Y285 HydrophobicContact CG2-CE1 4Å; V260-Y285 HydrophobicContact CB-CD1 4.22Å; V260-Y285 HydrophobicContact CB-CE1 3.98Å; V260-Y285 HydrophobicContact CG1-CD1 3.68Å; V260-Y285 HydrophobicContact CG1-CD2 4.24Å; V260-Y285 HydrophobicContact CG1-CE1 3.77Å; V260-Y285 HydrophobicContact CG1-CE2 4.33Å; V260-Y285 HydrophobicContact CG1-CG 3.91Å; V260-Y285 HydrophobicContact CG2-CE1 4.21Å; Y285-A287 HydrophobicContact CE1-CB 3.82Å; Y285-A287 HydrophobicContact CE2-CB 4.15Å; Y285-A287 VanDerWaalsContact OH-CB 3.29Å; Y285-A287 WeakPolarHBondContact OH-CB 3.29Å; Y285-F292 AromaticContact CD2-CD1 3.96Å; Y285-F292 HydrophobicContact CD2-CD1 3.96Å; Y285-F292 AromaticContact CD2-CE1 3.25Å; Y285-F292 HydrophobicContact CD2-CE1 3.25Å; Y285-F292 HydrophobicContact CD2-CE2 4.14Å; Y285-F292 AromaticContact CD2-CZ 3.35Å; Y285-F292 HydrophobicContact CD2-CZ 3.35Å; Y285-F292 AromaticContact CE2-CE1 3.9Å; Y285-F292 HydrophobicContact CE2-CE1 3.9Å; Y285-F292 HydrophobicContact CE2-CE2 4.27Å; Y285-F292 AromaticContact CE2-CZ 3.54Å; Y285-F292 HydrophobicContact CE2-CZ 3.54Å; Y285-F292 AromaticContact CG-CE1 3.92Å; Y285-F292 HydrophobicContact CG-CE1 3.92Å; Y285-F292 HydrophobicContact CG-CZ 4.41Å
286N97.8Very high97.3Very high44 Ų4470 Ų7024%0.23539%0.385CS..EExtended strand (participates in β ladder)trans-113.6106.2170.1178.1-9.3000108.8M288 Q289 D290 F291N286-M288 PolarHBondContact O-N 2.81Å; N286-M288 WeakPolarHBondContact OD1-CB 3.41Å; N286-M288 PolarHBondContact OD1-N 2.9Å; N286-Q289 PolarHBondContact ND2-OE1 2.95Å; N286-Q289 VanDerWaalsContact ND2-OE1 3.12Å; N286-Q289 PolarHBondContact O-N 3.33Å; N286-D290 WeakPolarHBondContact O-CA 3.36Å; N286-D290 PolarHBondContact O-N 3.17Å; N286-F291 HydrophobicContact CB-CB 4.29Å; N286-F291 PolarHBondContact N-O 2.93Å; N286-F291 PolarHBondContact O-N 3.16Å
287A96.7Very high97.1Very high28 Ų2871.1 Ų71.123%0.23139%0.392CS..THydrogen-bonded Turntrans-70.4-18.8-176.200000113.6V212 Y285 Q289V212-A287 HydrophobicContact CB-CB 4.37Å; V212-A287 VanDerWaalsContact O-CB 3.3Å; V212-A287 WeakPolarHBondContact O-CB 3.46Å; V212-A287 PolarHBondContact O-N 3.37Å; Y285-A287 HydrophobicContact CE1-CB 3.82Å; Y285-A287 HydrophobicContact CE2-CB 4.15Å; Y285-A287 VanDerWaalsContact OH-CB 3.29Å; Y285-A287 WeakPolarHBondContact OH-CB 3.29Å; A287-Q289 VanDerWaalsContact C-N 3.34Å
288M96Very high97.2Very high139 Ų13976 Ų7669%0.68539%0.393SS*.THydrogen-bonded Turntrans-78-23.4-178.8-63.2-64.6-65.600112.6V212 N286V212-M288 HydrophobicContact CB-CG 3.96Å; V212-M288 HydrophobicContact CB-SD 4.1Å; V212-M288 HydrophobicContact CG1-CG 4.45Å; V212-M288 HydrophobicContact CG1-SD 3.92Å; V212-M288 HydrophobicContact CG2-CG 4.06Å; V212-M288 HydrophobicContact CG2-SD 4.42Å; N286-M288 PolarHBondContact O-N 2.81Å; N286-M288 WeakPolarHBondContact OD1-CB 3.41Å; N286-M288 PolarHBondContact OD1-N 2.9Å
289Q97.4Very high97.2Very high144 Ų14471.1 Ų71.167%0.67337%0.365SS*.THydrogen-bonded Turntrans-130.68-172.2-63.6-180-52.700112.4N286 A287 F291N286-Q289 PolarHBondContact ND2-OE1 2.95Å; N286-Q289 VanDerWaalsContact ND2-OE1 3.12Å; N286-Q289 PolarHBondContact O-N 3.33Å; A287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-F291 HydrophobicContact CB-CB 4.25Å; Q289-F291 PolarHBondContact O-N 3.38Å; Q289-F291 VanDerWaalsContact O-N 3.1Å
290D97.3Very high97.2Very high120 Ų12072.2 Ų72.264%0.64237%0.37SS*.THydrogen-bonded Turntrans46.339.8-173.4-60.9-34.9000112.9N286 F292N286-D290 WeakPolarHBondContact O-CA 3.36Å; N286-D290 PolarHBondContact O-N 3.17Å; D290-F292 WeakPolarHBondContact O-CD2 3.22Å
291F97.8Very high97.1Very high113 Ų11375.4 Ų75.450%0.49639%0.39SS..BIsolated β-bridgetrans-103.5129-173.1178.9-121.2000111.2N286 Q289 P293N286-F291 HydrophobicContact CB-CB 4.29Å; N286-F291 PolarHBondContact N-O 2.93Å; N286-F291 PolarHBondContact O-N 3.16Å; Q289-F291 HydrophobicContact CB-CB 4.25Å; Q289-F291 PolarHBondContact O-N 3.38Å; Q289-F291 VanDerWaalsContact O-N 3.1Å; F291-P293 HydrophobicContact CD1-CB 4.4Å; F291-P293 HydrophobicContact CD1-CG 4.07Å; F291-P293 HydrophobicContact CE1-CB 3.59Å; F291-P293 HydrophobicContact CE1-CG 3.68Å; F291-P293 HydrophobicContact CZ-CB 3.71Å; F291-P293 HydrophobicContact CZ-CG 4.27Å; F291-P293 WeakPolarHBondContact O-CD 3.4Å
292F98.1Very high97.1Very high93 Ų9379.1 Ų79.141%0.40841%0.41SS..  trans-122.376.6-174.3-66.2-92.7000111.6V260 L264 L283 G284 Y285 D290V260-F292 HydrophobicContact CG1-CE1 4.31Å; L264-F292 HydrophobicContact CD1-CD1 4.27Å; L264-F292 HydrophobicContact CD1-CE1 4.14Å; L283-F292 HydrophobicContact CD1-CB 4.12Å; G284-F292 VanDerWaalsContact O-CA 3.3Å; G284-F292 WeakPolarHBondContact O-CA 3.5Å; Y285-F292 AromaticContact CD2-CD1 3.96Å; Y285-F292 HydrophobicContact CD2-CD1 3.96Å; Y285-F292 AromaticContact CD2-CE1 3.25Å; Y285-F292 HydrophobicContact CD2-CE1 3.25Å; Y285-F292 HydrophobicContact CD2-CE2 4.14Å; Y285-F292 AromaticContact CD2-CZ 3.35Å; Y285-F292 HydrophobicContact CD2-CZ 3.35Å; Y285-F292 AromaticContact CE2-CE1 3.9Å; Y285-F292 HydrophobicContact CE2-CE1 3.9Å; Y285-F292 HydrophobicContact CE2-CE2 4.27Å; Y285-F292 AromaticContact CE2-CZ 3.54Å; Y285-F292 HydrophobicContact CE2-CZ 3.54Å; Y285-F292 AromaticContact CG-CE1 3.92Å; Y285-F292 HydrophobicContact CG-CE1 3.92Å; Y285-F292 HydrophobicContact CG-CZ 4.41Å; D290-F292 WeakPolarHBondContact O-CD2 3.22Å
293P97.6Very high97.1Very high27 Ų2776.7 Ų76.718%0.17540%0.401CS..  trans-71.9132.7-17826.8-32.1000111.7L283 G284 F291 M295L283-P293 WeakPolarHBondContact CA-O 3.04Å; G284-P293 PolarHBondContact N-O 2.77Å; F291-P293 HydrophobicContact CD1-CB 4.4Å; F291-P293 HydrophobicContact CD1-CG 4.07Å; F291-P293 HydrophobicContact CE1-CB 3.59Å; F291-P293 HydrophobicContact CE1-CG 3.68Å; F291-P293 HydrophobicContact CZ-CB 3.71Å; F291-P293 HydrophobicContact CZ-CG 4.27Å; F291-P293 WeakPolarHBondContact O-CD 3.4Å; P293-M295 HydrophobicContact CB-CE 4.45Å
294T97.9Very high97Very high101 Ų10180.1 Ų80.162%0.6243%0.427SS*.EExtended strand (participates in β ladder)trans-102140.5169.753.90000111.2Y282 L283Y282-T294 WeakPolarHBondContact O-CA 3.34Å; L283-T294 HydrophobicContact CD1-CG2 3.8Å
295M94.9Very high97Very high113 Ų11380.9 Ų80.956%0.55743%0.43SS*.EExtended strand (participates in β ladder)trans-143.4163.4176.6-60-178.8-178.700110.8Y282 P293Y282-M295 WeakPolarHBondContact CB-O 3.34Å; Y282-M295 HydrophobicContact CD1-CB 3.97Å; Y282-M295 HydrophobicContact CD1-CG 4.17Å; Y282-M295 HydrophobicContact CD1-SD 4.44Å; Y282-M295 HydrophobicContact CG-CB 4.38Å; Y282-M295 PolarHBondContact N-O 3.26Å; Y282-M295 PolarHBondContact O-N 3.33Å; Y282-M295 VanDerWaalsContact O-N 3.13Å; P293-M295 HydrophobicContact CB-CE 4.45Å
296A95.1Very high97Very high68 Ų6889 Ų8956%0.56246%0.46SS*.  trans-125.4105.5169.400000109.1Y281Y281-A296 HydrophobicContact CD2-CB 3.98Å; Y281-A296 HydrophobicContact CG-CB 4.43Å
297M92.8Very high97Very high59 Ų5989.3 Ų89.329%0.29146%0.461SS..PPolyproline II helixtrans-88.5122.5178.6-67.1-179.4-82.100109.9Q217 T224 A225 Y282Q217-M297 HydrophobicContact CG-CE 3.81Å; Q217-M297 VanDerWaalsContact OE1-CE 3.25Å; T224-M297 WeakPolarHBondContact CA-O 3.44Å; A225-M297 HydrophobicContact CB-CB 3.55Å; A225-M297 PolarHBondContact N-O 2.9Å; Y282-M297 HydrophobicContact CD2-CE 3.35Å; Y282-M297 HydrophobicContact CE2-CE 4.09Å; Y282-M297 HydrophobicContact CG-CE 3.84Å
298K96.4Very high97.1Very high171 Ų17188 Ų8874%0.74345%0.45SS*.BIsolated β-bridgetrans-86.2151.4178.7-69.5-82.1-177.3177.30111.1A225A225-K298 WeakPolarHBondContact CB-O 3.16Å
299A96.9Very high97.2Very high18 Ų1886.3 Ų86.315%0.14944%0.436CS..PPolyproline II helixtrans-59.6138.1176.200000112.1P301 Q312A299-P301 WeakPolarHBondContact O-CD 3.33Å; A299-Q312 HydrophobicContact CB-CG 3.74Å
300N97.9Very high97.2Very high61 Ų6184.3 Ų84.333%0.32642%0.422SS..PPolyproline II helixtrans-78.5118.7174.1178.6-6.9000109.5C229 Q302 C303 Q312C229-N300 HydrophobicContact CB-CB 3.71Å; C229-N300 PolarHBondContact O-ND2 3.37Å; C229-N300 PolarHBondContact SG-N 3.2Å; N300-Q302 PolarHBondContact O-N 3.46Å; N300-Q302 VanDerWaalsContact O-N 3.09Å; N300-Q302 PolarHBondContact OD1-N 3.01Å; N300-C303 HydrophobicContact CB-CB 4.27Å; N300-C303 WeakPolarHBondContact O-CB 3.34Å; N300-C303 PolarHBondContact O-N 3.29Å; N300-Q312 PolarHBondContact O-NE2 2.96Å; N300-Q312 PolarHBondContact O-OE1 2.93Å
301P97.8Very high97.3Very high91 Ų9179.4 Ų79.459%0.59140%0.395SS*.THydrogen-bonded Turntrans-59.2-23.4179-24.635.4000114.2A299A299-P301 WeakPolarHBondContact O-CD 3.33Å
302Q97.7Very high97.3Very high166 Ų16674.6 Ų74.678%0.77637%0.374SS*.THydrogen-bonded Turntrans-110.325.3-179.6-58.8-178.90.600112N300 S304N300-Q302 PolarHBondContact O-N 3.46Å; N300-Q302 VanDerWaalsContact O-N 3.09Å; N300-Q302 PolarHBondContact OD1-N 3.01Å; Q302-S304 PolarHBondContact O-N 3.28Å
303C97.8Very high97.2Very high1 Ų175.7 Ų75.71%0.00738%0.381CS..  trans-51.8139.1177.4-174.50000111.5C226 A228 N300 D305 C308 R309C226-C303 VanDerWaalsContact SG-SG 3.67Å; A228-C303 VanDerWaalsContact C-SG 3.55Å; A228-C303 PolarHBondContact O-SG 3.37Å; N300-C303 HydrophobicContact CB-CB 4.27Å; N300-C303 WeakPolarHBondContact O-CB 3.34Å; N300-C303 PolarHBondContact O-N 3.29Å; C303-D305 PolarHBondContact O-N 2.96Å; C303-C308 HydrophobicContact CB-CB 4.29Å; C303-R309 HydrophobicContact CB-CG 4.5Å; C303-R309 WeakPolarHBondContact O-CD 3.49Å; C303-R309 PolarHBondContact O-NE 3.13Å
304S96.9Very high97.1Very high94 Ų9478 Ų7866%0.65739%0.389SS*.SBendtrans-60.6-34.8179.251.50000112Q302 R306Q302-S304 PolarHBondContact O-N 3.28Å; S304-R306 PolarHBondContact O-N 2.91Å
305D97.6Very high97Very high18 Ų1875.6 Ų75.610%0.09637%0.37CS..  trans-71.1117.2175.6-170.6-27.1000111N192 N196 A228 C303 H307 C308 R309N192-D305 PolarHBondContact ND2-OD2 2.89Å; N196-D305 PolarHBondContact ND2-OD2 3.2Å; A228-D305 HydrophobicContact CB-CB 4.23Å; C303-D305 PolarHBondContact O-N 2.96Å; D305-H307 VanDerWaalsContact C-N 3.34Å; D305-H307 WeakPolarHBondContact OD1-CA 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.41Å; D305-H307 IonicContact OD1-CD2 3.79Å; D305-H307 IonicContact OD1-CG 2.98Å; D305-H307 PolarHBondContact OD1-N 3.11Å; D305-C308 HydrophobicContact CB-CB 3.94Å; D305-C308 WeakPolarHBondContact O-CB 3.33Å; D305-C308 PolarHBondContact O-N 3.24Å; D305-C308 PolarHBondContact OD1-N 3.06Å; D305-R309 PolarHBondContact O-N 3Å
306R98.1Very high96.9Very high199 Ų19976.3 Ų76.375%0.75137%0.37SS*.Hα-helixtrans-65.8-35.9178.2-178.8-178.6174.2-172.6-2112S304 C308 R309 R310S304-R306 PolarHBondContact O-N 2.91Å; R306-C308 VanDerWaalsContact C-N 3.34Å; R306-R309 PolarHBondContact O-N 3.33Å; R306-R310 PolarHBondContact O-N 3.34Å
307H98.3Very high96.9Very high51 Ų5179.3 Ų79.324%0.23637%0.37CS..Hα-helixtrans-67.5-38.9178.6-63.7-81.3000110.3N196 D305 R309 R310 Q311N196-H307 HydrophobicContact CB-CB 3.79Å; D305-H307 VanDerWaalsContact C-N 3.34Å; D305-H307 WeakPolarHBondContact OD1-CA 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.41Å; D305-H307 IonicContact OD1-CD2 3.79Å; D305-H307 IonicContact OD1-CG 2.98Å; D305-H307 PolarHBondContact OD1-N 3.11Å; H307-R309 VanDerWaalsContact C-N 3.34Å; H307-R309 PolarHBondContact O-N 3.39Å; H307-R310 PolarHBondContact ND1-NH2 2.89Å; H307-R310 WeakPolarHBondContact O-CB 3.21Å; H307-R310 PolarHBondContact O-N 3.14Å; H307-Q311 VanDerWaalsContact O-CG 3.27Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.19Å
308C98.4Very high96.8Very high0 Ų082.8 Ų82.80%038%0.384CS..Hα-helixtrans-55.7-47.8172.4-177.40000111.8C303 D305 R306 R310 Q311 Q312C303-C308 HydrophobicContact CB-CB 4.29Å; D305-C308 HydrophobicContact CB-CB 3.94Å; D305-C308 WeakPolarHBondContact O-CB 3.33Å; D305-C308 PolarHBondContact O-N 3.24Å; D305-C308 PolarHBondContact OD1-N 3.06Å; R306-C308 VanDerWaalsContact C-N 3.34Å; C308-R310 PolarHBondContact O-N 3.1Å; C308-Q311 PolarHBondContact O-N 3.43Å; C308-Q312 WeakPolarHBondContact O-CG 3.3Å; C308-Q312 PolarHBondContact O-N 2.92Å; C308-Q312 PolarHBondContact SG-NE2 2.91Å; C308-Q312 VanDerWaalsContact SG-NE2 3.36Å
309R98.4Very high96.4Very high105 Ų10578.5 Ų78.540%0.39637%0.367SS..Hα-helixtrans-61.9-40.9177.4-72.8-177.6-76.2176.3-5.8112.6C303 D305 R306 H307 Q312 E313C303-R309 HydrophobicContact CB-CG 4.5Å; C303-R309 WeakPolarHBondContact O-CD 3.49Å; C303-R309 PolarHBondContact O-NE 3.13Å; D305-R309 PolarHBondContact O-N 3Å; R306-R309 PolarHBondContact O-N 3.33Å; H307-R309 VanDerWaalsContact C-N 3.34Å; H307-R309 PolarHBondContact O-N 3.39Å; R309-Q312 WeakPolarHBondContact O-CB 3.46Å; R309-Q312 PolarHBondContact O-N 3.27Å; R309-E313 PolarHBondContact O-N 2.86Å
310R98.1Very high95.9Very high101 Ų10183.9 Ų83.938%0.38140%0.397SS..Hα-helixtrans-60.1-46.5173.8-175.4-176.768.4-176.1-0.3111.6E197 R306 H307 C308 Q312 E313 E314E197-R310 PolarHBondContact O-NH2 3.22Å; R306-R310 PolarHBondContact O-N 3.34Å; H307-R310 PolarHBondContact ND1-NH2 2.89Å; H307-R310 WeakPolarHBondContact O-CB 3.21Å; H307-R310 PolarHBondContact O-N 3.14Å; C308-R310 PolarHBondContact O-N 3.1Å; R310-Q312 VanDerWaalsContact C-N 3.28Å; R310-Q312 PolarHBondContact O-N 3.43Å; R310-E313 WeakPolarHBondContact O-CB 3.04Å; R310-E313 PolarHBondContact O-N 3.5Å; R310-E313 VanDerWaalsContact O-N 3.16Å; R310-E314 PolarHBondContact O-N 2.93Å; R310-E314 VanDerWaalsContact O-N 3.08Å
311Q98.1Very high95.3Very high18 Ų1888.5 Ų88.58%0.08442%0.417CS..Hα-helixtrans-62.3-35.9178-64.4-67.1-2.200111.9N196 P221 G222 H307 C308 E313 E314 F315N196-Q311 WeakPolarHBondContact O-CG 3.41Å; N196-Q311 PolarHBondContact O-NE2 3.33Å; P221-Q311 HydrophobicContact CB-CB 4.04Å; P221-Q311 HydrophobicContact CB-CG 3.81Å; G222-Q311 VanDerWaalsContact CA-C 3.47Å; H307-Q311 VanDerWaalsContact O-CG 3.27Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.19Å; C308-Q311 PolarHBondContact O-N 3.43Å; Q311-E313 VanDerWaalsContact C-N 3.34Å; Q311-E313 PolarHBondContact O-N 2.75Å; Q311-E314 PolarHBondContact O-N 2.9Å; Q311-F315 WeakPolarHBondContact O-CB 3.24Å; Q311-F315 PolarHBondContact O-N 2.91Å
312Q97.9Very high94.5Very high12 Ų1291.8 Ų91.86%0.05642%0.418CS..Hα-helixtrans-63.1-39.4174.8-69.1172.852.500112.3A299 N300 C308 R309 R310 K316A299-Q312 HydrophobicContact CB-CG 3.74Å; N300-Q312 PolarHBondContact O-NE2 2.96Å; N300-Q312 PolarHBondContact O-OE1 2.93Å; C308-Q312 WeakPolarHBondContact O-CG 3.3Å; C308-Q312 PolarHBondContact O-N 2.92Å; C308-Q312 PolarHBondContact SG-NE2 2.91Å; C308-Q312 VanDerWaalsContact SG-NE2 3.36Å; R309-Q312 WeakPolarHBondContact O-CB 3.46Å; R309-Q312 PolarHBondContact O-N 3.27Å; R310-Q312 VanDerWaalsContact C-N 3.28Å; R310-Q312 PolarHBondContact O-N 3.43Å; Q312-K316 VanDerWaalsContact O-CG 3.29Å; Q312-K316 WeakPolarHBondContact O-CG 3.31Å; Q312-K316 PolarHBondContact O-N 3.47Å
313E97Very high93.5Very high116 Ų11688.9 Ų88.954%0.54241%0.413SS..Hα-helixtrans-65.9-42.6175.4-67.8172.1-170.900111.5R309 R310 Q311 K316 K317R309-E313 PolarHBondContact O-N 2.86Å; R310-E313 WeakPolarHBondContact O-CB 3.04Å; R310-E313 PolarHBondContact O-N 3.5Å; R310-E313 VanDerWaalsContact O-N 3.16Å; Q311-E313 VanDerWaalsContact C-N 3.34Å; Q311-E313 PolarHBondContact O-N 2.75Å; E313-K316 PolarHBondContact O-N 3.3Å; E313-K317 WeakPolarHBondContact O-CG 3.42Å; E313-K317 PolarHBondContact O-N 3.1Å; E313-K317 VanDerWaalsContact O-N 3.14Å
314E95.8Very high91.7Very high74 Ų7498.5 Ų98.535%0.34646%0.455SS..Hα-helixtrans-64.7-42.7176-70-177.1-162.900112.1R310 Q311 K317 K318R310-E314 PolarHBondContact O-N 2.93Å; R310-E314 VanDerWaalsContact O-N 3.08Å; Q311-E314 PolarHBondContact O-N 2.9Å; E314-K317 PolarHBondContact O-N 2.76Å; E314-K318 WeakPolarHBondContact O-CG 3.46Å; E314-K318 PolarHBondContact O-N 3.21Å
315F94.6Very high89.7Confident51 Ų5199.7 Ų99.722%0.22446%0.458CS..Hα-helixtrans-60.4-46.6176178-102000111.6E223 Q311 K317 K318 E319E223-F315 HydrophobicContact CB-CD1 4.34Å; E223-F315 HydrophobicContact CB-CD2 3.78Å; E223-F315 HydrophobicContact CB-CE1 4.15Å; E223-F315 HydrophobicContact CB-CE2 3.56Å; E223-F315 HydrophobicContact CB-CG 4.17Å; E223-F315 HydrophobicContact CB-CZ 3.77Å; E223-F315 HydrophobicContact CG-CD2 4.34Å; E223-F315 HydrophobicContact CG-CE1 4.08Å; E223-F315 HydrophobicContact CG-CE2 3.61Å; E223-F315 HydrophobicContact CG-CZ 3.46Å; E223-F315 VanDerWaalsContact CG-CZ 3.46Å; E223-F315 WeakPolarHBondContact OE2-CE2 3.22Å; Q311-F315 WeakPolarHBondContact O-CB 3.24Å; Q311-F315 PolarHBondContact O-N 2.91Å; F315-K317 VanDerWaalsContact C-N 3.31Å; F315-K317 PolarHBondContact O-N 3.35Å; F315-K318 PolarHBondContact O-N 2.92Å; F315-E319 HydrophobicContact CD1-CG 4.21Å; F315-E319 HydrophobicContact CD2-CG 4.41Å; F315-E319 HydrophobicContact CE1-CG 3.64Å; F315-E319 HydrophobicContact CE2-CG 3.87Å; F315-E319 HydrophobicContact CZ-CG 3.43Å; F315-E319 VanDerWaalsContact CZ-CG 3.43Å; F315-E319 PolarHBondContact O-N 2.84Å
316K93.9Very high87.2Confident128 Ų128107.1 Ų107.156%0.55749%0.492SS*.Hα-helixtrans-59.4-39.9176.5-74.5173-174.9178.10112.5Q312 E313 V320Q312-K316 VanDerWaalsContact O-CG 3.29Å; Q312-K316 WeakPolarHBondContact O-CG 3.31Å; Q312-K316 PolarHBondContact O-N 3.47Å; E313-K316 PolarHBondContact O-N 3.3Å; K316-V320 VanDerWaalsContact O-CG2 3.29Å; K316-V320 WeakPolarHBondContact O-CG2 3.27Å; K316-V320 PolarHBondContact O-N 2.79Å; K316-V320 VanDerWaalsContact O-N 3.13Å
317K93.5Very high84.5Confident131 Ų131102.2 Ų102.257%0.5749%0.494SS*.Hα-helixtrans-63.6-47.9175.5-70.5171.4-174.11740111.1E313 E314 F315 E319 V320 E321E313-K317 WeakPolarHBondContact O-CG 3.42Å; E313-K317 PolarHBondContact O-N 3.1Å; E313-K317 VanDerWaalsContact O-N 3.14Å; E314-K317 PolarHBondContact O-N 2.76Å; F315-K317 VanDerWaalsContact C-N 3.31Å; F315-K317 PolarHBondContact O-N 3.35Å; K317-E319 VanDerWaalsContact C-N 3.32Å; K317-E319 PolarHBondContact O-N 3.48Å; K317-V320 PolarHBondContact O-N 2.87Å; K317-E321 WeakPolarHBondContact O-CG 3.1Å; K317-E321 PolarHBondContact O-N 3.01Å; K317-E321 VanDerWaalsContact O-N 3.1Å
318K90.8Very high81.8Confident132 Ų132105.5 Ų105.557%0.57452%0.517SS*.Hα-helixtrans-60.1-39.7177.4-72.9176-179.3172.50112.5E314 F315 E321 R322E314-K318 WeakPolarHBondContact O-CG 3.46Å; E314-K318 PolarHBondContact O-N 3.21Å; F315-K318 PolarHBondContact O-N 2.92Å; K318-E321 PolarHBondContact O-N 3.5Å; K318-R322 PolarHBondContact O-N 2.82Å
319E88.1Confident79.2Confident82 Ų82113.3 Ų113.338%0.38355%0.554SS.*Hα-helixtrans-67.9-36.3177.6-81-74.711300112.7F315 K317 E321 R322F315-E319 HydrophobicContact CD1-CG 4.21Å; F315-E319 HydrophobicContact CD2-CG 4.41Å; F315-E319 HydrophobicContact CE1-CG 3.64Å; F315-E319 HydrophobicContact CE2-CG 3.87Å; F315-E319 HydrophobicContact CZ-CG 3.43Å; F315-E319 VanDerWaalsContact CZ-CG 3.43Å; F315-E319 PolarHBondContact O-N 2.84Å; K317-E319 VanDerWaalsContact C-N 3.32Å; K317-E319 PolarHBondContact O-N 3.48Å; E319-E321 VanDerWaalsContact C-N 3.33Å; E319-R322 WeakPolarHBondContact O-CB 3.24Å; E319-R322 PolarHBondContact O-N 3.13Å; E319-R322 WeakPolarHBondContact OE1-CD 3.34Å; E319-R322 IonicContact OE1-CZ 2.69Å; E319-R322 IonicContact OE1-NH1 3.09Å; E319-R322 PolarHBondContact OE1-NH1 2.83Å
320V87.4Confident76.7Confident131 Ų131113.8 Ų113.879%0.79457%0.571SS**Hα-helixtrans-68.1-35.2174.91720000111.7K316 K317 R322K316-V320 VanDerWaalsContact O-CG2 3.29Å; K316-V320 WeakPolarHBondContact O-CG2 3.27Å; K316-V320 PolarHBondContact O-N 2.79Å; K316-V320 VanDerWaalsContact O-N 3.13Å; K317-V320 PolarHBondContact O-N 2.87Å; V320-R322 VanDerWaalsContact C-N 3.29Å
321E85.9Confident74.2Confident158 Ų158117.6 Ų117.674%0.73859%0.593SS**Hα-helixtrans-77.1-15.9176.3-69.7173.3-177.200113K317 K318 E319K317-E321 WeakPolarHBondContact O-CG 3.1Å; K317-E321 PolarHBondContact O-N 3.01Å; K317-E321 VanDerWaalsContact O-N 3.1Å; K318-E321 PolarHBondContact O-N 3.5Å; E319-E321 VanDerWaalsContact C-N 3.33Å
322R80.6Confident72.1Confident159 Ų159125.7 Ų125.760%0.663%0.631SS**SBendtrans-66.6123.9-179.5-155.4173-152.2170.40.8108.6K318 E319 V320 K324K318-R322 PolarHBondContact O-N 2.82Å; E319-R322 WeakPolarHBondContact O-CB 3.24Å; E319-R322 PolarHBondContact O-N 3.13Å; E319-R322 WeakPolarHBondContact OE1-CD 3.34Å; E319-R322 IonicContact OE1-CZ 2.69Å; E319-R322 IonicContact OE1-NH1 3.09Å; E319-R322 PolarHBondContact OE1-NH1 2.83Å; V320-R322 VanDerWaalsContact C-N 3.29Å; R322-K324 PolarHBondContact O-N 3.1Å; R322-K324 VanDerWaalsContact O-N 3.15Å
323P76.2Confident70.2Confident105 Ų105133.8 Ų133.868%0.68267%0.669SS**  trans-56.8128.1173.922.3-30.3000107.5V325P323-V325 VanDerWaalsContact C-N 3.27Å; P323-V325 PolarHBondContact O-N 2.98Å
324K60Low69.1Low203 Ų203136.8 Ų136.888%0.88368%0.683SS**  trans-60.599.7171.4-72.4-176.7179.4-178.90106.2R322 E326R322-K324 PolarHBondContact O-N 3.1Å; R322-K324 VanDerWaalsContact O-N 3.15Å; K324-E326 PolarHBondContact O-N 2.98Å
325V55.6Low68.4Low120 Ų120139.8 Ų139.873%0.72770%0.7SS**  trans-62.9109.3166.8-176.70000103.7P323 A327P323-V325 VanDerWaalsContact C-N 3.27Å; P323-V325 PolarHBondContact O-N 2.98Å; V325-A327 PolarHBondContact O-N 3.13Å; V325-A327 VanDerWaalsContact O-N 3.16Å
326E45.1Very low68Low173 Ų173144.7 Ų144.781%0.80873%0.726SS**  trans-49.7126165.3-74.9-179.1166.400105.8K324 V328K324-E326 PolarHBondContact O-N 2.98Å; E326-V328 PolarHBondContact O-N 3.33Å
327A41Very low67.7Low96 Ų96144.8 Ų144.879%0.79373%0.728SS**  trans-57.897178.500000106.8V325 Q329V325-A327 PolarHBondContact O-N 3.13Å; V325-A327 VanDerWaalsContact O-N 3.16Å; A327-Q329 VanDerWaalsContact C-N 3.29Å; A327-Q329 PolarHBondContact O-N 3.32Å
328V41.9Very low67.5Low120 Ų120148.2 Ų148.273%0.72775%0.747SS**  trans-59.6106.6167179.60000102.5E326 P330E326-V328 PolarHBondContact O-N 3.33Å; V328-P330 VanDerWaalsContact O-N 3.13Å
329Q42.4Very low67.4Low165 Ų165147.7 Ų147.777%0.77175%0.75SS**  trans-50.9124.8168.4-68.1179.75.800104.5A327 E331A327-Q329 VanDerWaalsContact C-N 3.29Å; A327-Q329 PolarHBondContact O-N 3.32Å; Q329-E331 PolarHBondContact O-N 3.33Å
330P46Very low67.5Low115 Ų115147.2 Ų147.275%0.74775%0.75SS**  trans-51.7117.3174.821.1-29.2000105.3V328 E332V328-P330 VanDerWaalsContact O-N 3.13Å; P330-E332 PolarHBondContact O-N 3.49Å
331E47.1Very low67.6Low181 Ų181149.4 Ų149.485%0.84675%0.752SS**  trans-54.5112.6169.7-76.6-178.4161.700104.1Q329 E333Q329-E331 PolarHBondContact O-N 3.33Å; E331-E333 VanDerWaalsContact C-N 3.32Å; E331-E333 PolarHBondContact O-N 2.98Å
332E52.4Low67.7Low187 Ų187152.6 Ų152.687%0.87476%0.757SS**  trans-60.2105.6173.3-73.5-175.8165.700105.2P330 E334P330-E332 PolarHBondContact O-N 3.49Å; E332-E334 PolarHBondContact O-N 2.87Å
333E58.5Low68Low183 Ų183147.3 Ų147.386%0.85575%0.753SS**  trans-59.3107.5172.9-76.2-175.1166.600106.6E331 I335E331-E333 VanDerWaalsContact C-N 3.32Å; E331-E333 PolarHBondContact O-N 2.98Å; E333-I335 PolarHBondContact O-N 3.19Å
334E74.5Confident68.6Low179 Ų179148.2 Ų148.284%0.83675%0.75SS**  trans-60.7113.7175.9-160.6176.9-170.100107.1E332 I336E332-E334 PolarHBondContact O-N 2.87Å; E334-I336 PolarHBondContact O-N 3.09Å
335I81Confident69.9Low137 Ų137146.2 Ų146.270%0.70374%0.744SS**  trans-69.7107.2-174.6-60.5174000108E333E333-I335 PolarHBondContact O-N 3.19Å
336I86.3Confident71.2Confident153 Ų153148.9 Ų148.979%0.78575%0.753SS**  trans-83.8119.7175.8-58.4169.2000108.5E334E334-I336 PolarHBondContact O-N 3.09Å
337H86.8Confident73Confident130 Ų130146.1 Ų146.160%0.60275%0.748SS**  trans-86.6122171.7-61.3-78.2000109.7D339H337-D339 PolarHBondContact O-N 2.9Å
338E89.3Confident74.6Confident203 Ų203145.7 Ų145.795%0.94974%0.739SS**SBendtrans-61-34.3175.5-69.3-171.3167.100111.6
339D88.4Confident75.6Confident122 Ų122149.3 Ų149.365%0.65275%0.748SS**  trans-133.2135.4176.963.5-27.8000111.9H337H337-D339 PolarHBondContact O-N 2.9Å
340N90.2Very high76.4Confident72 Ų72144.5 Ų144.539%0.38573%0.73SS.*  trans-148.854.1169-1707.9000109.8W342 G343 I344N340-W342 PolarHBondContact O-N 3.15Å; N340-W342 VanDerWaalsContact O-N 3.11Å; N340-G343 PolarHBondContact O-N 3.21Å; N340-G343 VanDerWaalsContact O-N 3.16Å; N340-G343 PolarHBondContact OD1-N 3.46Å; N340-I344 PolarHBondContact ND2-O 3.46Å; N340-I344 WeakPolarHBondContact OD1-CB 3.48Å; N340-I344 PolarHBondContact OD1-N 2.89Å
341E89.4Confident77.2Confident177 Ų177141.4 Ų141.483%0.82771%0.711SS**THydrogen-bonded Turntrans-59.7-23.3-177.3-60.4-172.1159.500113
342W90Very high77.8Confident224 Ų224139 Ų13985%0.84870%0.704SS**THydrogen-bonded Turntrans-92.80.4-175.9-60.993.4000113.6N340 I344N340-W342 PolarHBondContact O-N 3.15Å; N340-W342 VanDerWaalsContact O-N 3.11Å; W342-I344 VanDerWaalsContact C-N 3.27Å; W342-I344 HydrophobicContact CB-CD1 4.23Å; W342-I344 HydrophobicContact CB-CG1 3.97Å; W342-I344 PolarHBondContact O-N 3.14Å
343G86.1Confident78.1Confident49 Ų49133.2 Ų133.251%0.50569%0.688SS.*  trans58.939.3-179.800000112.4N340 E345N340-G343 PolarHBondContact O-N 3.21Å; N340-G343 VanDerWaalsContact O-N 3.16Å; N340-G343 PolarHBondContact OD1-N 3.46Å; G343-E345 PolarHBondContact O-N 2.98Å
344I88.3Confident77.9Confident123 Ų123129.7 Ų129.763%0.63167%0.672SS**  trans-69.2122177.4-60.2170000107.5N340 W342N340-I344 PolarHBondContact ND2-O 3.46Å; N340-I344 WeakPolarHBondContact OD1-CB 3.48Å; N340-I344 PolarHBondContact OD1-N 2.89Å; W342-I344 VanDerWaalsContact C-N 3.27Å; W342-I344 HydrophobicContact CB-CD1 4.23Å; W342-I344 HydrophobicContact CB-CG1 3.97Å; W342-I344 PolarHBondContact O-N 3.14Å
345E86.7Confident76.9Confident162 Ų162126 Ų12676%0.75766%0.657SS**  trans-106.2139.7179.2-64.4176.2-168.100109.6G343 V347G343-E345 PolarHBondContact O-N 2.98Å; E345-V347 PolarHBondContact O-N 2.62Å
346L84.6Confident75.6Confident176 Ų176126.5 Ų126.592%0.92166%0.656SS**  trans-77103.1171.9-17866.3000108.6
347V82.9Confident74.1Confident115 Ų115123.2 Ų123.270%0.69765%0.652SS**  trans-90126171.6-174.10000107.9E345 E349E345-V347 PolarHBondContact O-N 2.62Å; V347-E349 PolarHBondContact O-N 2.89Å
348S73.3Confident72.2Confident86 Ų86121.1 Ų121.160%0.60166%0.657SS**  trans-62.2126.4173.862.10000109.5V350S348-V350 WeakPolarHBondContact CB-O 3.48Å; S348-V350 PolarHBondContact O-N 3.4Å; S348-V350 VanDerWaalsContact O-N 3.09Å; S348-V350 PolarHBondContact OG-O 3.42Å
349E64.1Low70.1Confident196 Ų196115.5 Ų115.592%0.91664%0.64SS**SBendtrans-66.7-8.3176.9-65.7-157.6165.500113.1V347V347-E349 PolarHBondContact O-N 2.89Å
350V58.3Low68.4Low65 Ų65112.9 Ų112.939%0.39464%0.642SS.*SBendtrans-125.6126.2178.7-160.40000107.8S348 E354 L355S348-V350 WeakPolarHBondContact CB-O 3.48Å; S348-V350 PolarHBondContact O-N 3.4Å; S348-V350 VanDerWaalsContact O-N 3.09Å; S348-V350 PolarHBondContact OG-O 3.42Å; V350-E354 HydrophobicContact CG1-CB 3.61Å; V350-L355 HydrophobicContact CB-CD1 4.34Å; V350-L355 HydrophobicContact CB-CG 4.31Å; V350-L355 HydrophobicContact CG1-CD1 4.29Å; V350-L355 HydrophobicContact CG1-CG 3.78Å
351S63.3Low66.7Low50 Ų50114.2 Ų114.235%0.3566%0.663SS.*  trans-73.6151.8170.661.10000110.6A353 E354 L355S351-A353 PolarHBondContact O-N 2.97Å; S351-E354 PolarHBondContact N-OE2 3.09Å; S351-E354 PolarHBondContact O-N 3.41Å; S351-E354 VanDerWaalsContact OG-CD 3.31Å; S351-E354 VanDerWaalsContact OG-CG 3.32Å; S351-E354 WeakPolarHBondContact OG-CG 3.35Å; S351-E354 PolarHBondContact OG-N 3.16Å; S351-E354 PolarHBondContact OG-OE2 3.12Å; S351-L355 PolarHBondContact O-N 3.02Å
352D60Low64.9Low131 Ų131111.3 Ų111.370%0.70166%0.657SS**Hα-helixtrans-52.9-29.5173.5-71.8-27.8000112.4Q356D352-Q356 WeakPolarHBondContact O-CB 3.31Å; D352-Q356 PolarHBondContact O-N 2.6Å
353A57.4Low63.3Low64 Ų64104.4 Ų104.453%0.52964%0.641SS.*Hα-helixtrans-71.5-37.6175.900000113.1S351 A357S351-A353 PolarHBondContact O-N 2.97Å; A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.9Å
354E54.8Low61.9Low110 Ų110110.1 Ų110.151%0.51466%0.66SS.*Hα-helixtrans-73.4-34.7174.5-75.2162144.100111.7V350 S351 A357 A358V350-E354 HydrophobicContact CG1-CB 3.61Å; S351-E354 PolarHBondContact N-OE2 3.09Å; S351-E354 PolarHBondContact O-N 3.41Å; S351-E354 VanDerWaalsContact OG-CD 3.31Å; S351-E354 VanDerWaalsContact OG-CG 3.32Å; S351-E354 WeakPolarHBondContact OG-CG 3.35Å; S351-E354 PolarHBondContact OG-N 3.16Å; S351-E354 PolarHBondContact OG-OE2 3.12Å; E354-A357 PolarHBondContact O-N 2.98Å; E354-A358 WeakPolarHBondContact O-CB 3.42Å; E354-A358 PolarHBondContact O-N 2.83Å
355L54.3Low60.7Low100 Ų100107.6 Ų107.652%0.52465%0.648SS.*Hα-helixtrans-61.5-43.8170-85.4153000111.6V350 S351 A358 S359V350-L355 HydrophobicContact CB-CD1 4.34Å; V350-L355 HydrophobicContact CB-CG 4.31Å; V350-L355 HydrophobicContact CG1-CD1 4.29Å; V350-L355 HydrophobicContact CG1-CG 3.78Å; S351-L355 PolarHBondContact O-N 3.02Å; L355-A358 PolarHBondContact O-N 3.2Å; L355-S359 PolarHBondContact O-N 3.09Å
356Q53.3Low59.1Low149 Ų149104.2 Ų104.270%0.69664%0.639SS**Hα-helixtrans-67.6-32.8173.4-91.6-178.9-29.100113.5D352 S359D352-Q356 WeakPolarHBondContact O-CB 3.31Å; D352-Q356 PolarHBondContact O-N 2.6Å; Q356-S359 PolarHBondContact O-OG 3.07Å
357A53.6Low57.7Low84 Ų84105.7 Ų105.769%0.69464%0.642SS**Hα-helixtrans-75.9-29.5177.500000112.7A353 E354A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.9Å; E354-A357 PolarHBondContact O-N 2.98Å
358A47.5Very low56.5Low86 Ų86104.1 Ų104.171%0.71165%0.648SS**Hα-helixtrans-77.5-20176.300000113.4E354 L355 G360E354-A358 WeakPolarHBondContact O-CB 3.42Å; E354-A358 PolarHBondContact O-N 2.83Å; L355-A358 PolarHBondContact O-N 3.2Å; A358-G360 PolarHBondContact O-N 3.38Å
359S46.3Very low55.2Low85 Ų85104.9 Ų104.959%0.59465%0.645SS**  trans-75.683172.154.20000111.4L355 Q356L355-S359 PolarHBondContact O-N 3.09Å; Q356-S359 PolarHBondContact O-OG 3.07Å
360G53Low54.3Low66 Ų66101.9 Ų101.968%0.6864%0.64SS**PPolyproline II helixtrans-67.6159.516900000112.7A358A358-G360 PolarHBondContact O-N 3.38Å
361A53.4Low53.9Low100 Ų100101.9 Ų101.983%0.82664%0.64SS**PPolyproline II helixtrans-62.1142175.700000112
362V52.6Low52.8Low117 Ų117104.9 Ų104.971%0.70967%0.668SS**PPolyproline II helixtrans-58.8126.6176.4-178.10000109.6
363P56.6Low52Low79 Ų79107.6 Ų107.651%0.51367%0.67SS.*PPolyproline II helixtrans-71.2139.717625.9-30.4000111.2L365P363-L365 HydrophobicContact CG-CG 4.45Å; P363-L365 PolarHBondContact O-N 3.14Å
364D56.2Low51.5Low169 Ų169108.9 Ų108.990%0.90467%0.671SS**  trans-69.3111.3172.5-169.419.3000109.4
365L62.8Low51Low70 Ų70109.2 Ų109.237%0.36668%0.68SS.*  trans-113.4139.6-172.2-73.4171.8000112P363 I369 V371P363-L365 HydrophobicContact CG-CG 4.45Å; P363-L365 PolarHBondContact O-N 3.14Å; L365-I369 HydrophobicContact CD1-CG2 4.26Å; L365-I369 HydrophobicContact CD2-CG2 4.27Å; L365-V371 HydrophobicContact CD1-CG1 3.95Å
366P53.7Low50.3Low90 Ų90109.9 Ų109.958%0.58469%0.691SS**  trans-60.8154174-20.931.1000113.7G368 I369P366-G368 PolarHBondContact O-N 3.1Å; P366-I369 PolarHBondContact O-N 2.81Å
367E53.5Low49.7Very low208 Ų208107.3 Ų107.397%0.97270%0.695SS**THydrogen-bonded Turntrans-54.8119.7179.6-150.3176.2-162.100111.4
368G58.3Low49Very low81 Ų81106.8 Ų106.884%0.83570%0.697SS**THydrogen-bonded Turntrans104.6-317900000116.3P366P366-G368 PolarHBondContact O-N 3.1Å
369I45.6Very low48.3Very low103 Ų103111.4 Ų111.453%0.52870%0.704SS.*  trans-104.8127172-58.6179.6000109.2L365 P366L365-I369 HydrophobicContact CD1-CG2 4.26Å; L365-I369 HydrophobicContact CD2-CG2 4.27Å; P366-I369 PolarHBondContact O-N 2.81Å
370T45.5Very low47.7Very low132 Ų132116.5 Ų116.581%0.8172%0.716SS**  trans-121.3140.5172.245.90000109.6
371V49.6Very low47Very low65 Ų65120 Ų12039%0.39472%0.724SS.*  trans-71.4139172.3-84.20000109.6L365 Y373 T374L365-V371 HydrophobicContact CD1-CG1 3.95Å; V371-Y373 PolarHBondContact O-N 3.21Å; V371-T374 HydrophobicContact CG2-CG2 3.44Å; V371-T374 VanDerWaalsContact CG2-CG2 3.44Å
372A41.9Very low45.9Very low114 Ų114120 Ų12094%0.94272%0.717SS**SBendtrans-64.1-20.2-176.400000113.5
373Y42.8Very low45.3Very low187 Ų187117.7 Ų117.773%0.73372%0.718SS**  trans-149.9141.8163.384-81.3000109.9V371 V375V371-Y373 PolarHBondContact O-N 3.21Å; Y373-V375 HydrophobicContact CD2-CG2 4.19Å; Y373-V375 HydrophobicContact CE2-CG2 4.03Å
374T46Very low44Very low92 Ų92121.5 Ų121.556%0.56473%0.734SS**  trans-129.2126.915728.40000106.3V371V371-T374 HydrophobicContact CG2-CG2 3.44Å; V371-T374 VanDerWaalsContact CG2-CG2 3.44Å
375V44.9Very low43Very low116 Ų116120 Ų12070%0.70373%0.731SS**  trans-63.2132.2175.6-177.40000107.6Y373 A377Y373-V375 HydrophobicContact CD2-CG2 4.19Å; Y373-V375 HydrophobicContact CE2-CG2 4.03Å; V375-A377 PolarHBondContact O-N 2.92Å
376P39.1Very low41.4Very low115 Ų115123.2 Ų123.275%0.74775%0.753SS**  trans-59128.5177.3-17.729.3000109.3G378P376-G378 PolarHBondContact O-N 3.29Å
377A39.9Very low40.3Very low95 Ų95127.5 Ų127.579%0.78577%0.765SS**  trans-64110.1168.100000107.4V375 E379V375-A377 PolarHBondContact O-N 2.92Å; A377-E379 PolarHBondContact O-N 3.35Å
378G39.2Very low39.4Very low72 Ų72126.3 Ų126.374%0.74276%0.76SS**  trans-61.4110.8168.200000108.4P376 K380P376-G378 PolarHBondContact O-N 3.29Å; G378-K380 PolarHBondContact O-N 3.41Å
379E34.3Very low38.4Very low183 Ų183128.8 Ų128.886%0.85576%0.759SS**  trans-62101.7170.1-80.3-174.6157.400108.8A377 V381A377-E379 PolarHBondContact O-N 3.35Å; E379-V381 PolarHBondContact O-N 3.46Å
380K32.9Very low38.5Very low193 Ų193132.8 Ų132.884%0.83978%0.775SS**  trans-81.599.6154.7-80-173.7178.1178.20107.4G378 S382G378-K380 PolarHBondContact O-N 3.41Å; K380-S382 PolarHBondContact O-N 2.87Å
381V39.1Very low38.8Very low139 Ų139131.3 Ų131.384%0.84277%0.766SS**  trans-66100.3158-178.60000107E379E379-V381 PolarHBondContact O-N 3.46Å
382S29.9Very low39.5Very low99 Ų99130.9 Ų130.969%0.69277%0.766SS**  trans-136.6110.7160.659.10000107.5K380 D384K380-S382 PolarHBondContact O-N 2.87Å; S382-D384 PolarHBondContact O-N 3.46Å
383G39.8Very low39.8Very low70 Ų70132 Ų13272%0.72276%0.755SS**  trans-61.2131.6171.500000110.1
384D28.9Very low40.7Very low158 Ų158130.3 Ų130.385%0.84575%0.754SS**  trans-153.8129.8138.3-99.2-28000108.5S382S382-D384 PolarHBondContact O-N 3.46Å
385T35Very low41.5Very low138 Ų138130.6 Ų130.685%0.84775%0.752SS**  trans-57.8136.717742.20000112.2
386V29.1Very low42.2Very low138 Ų138129.8 Ų129.884%0.83674%0.743SS**  trans-133.5132156.3-1710000110
387E32.1Very low43.3Very low179 Ų179129 Ų12984%0.83673%0.731SS**  trans-42.2138.9-170.6-64.9167.5159.100117.7T389E387-T389 PolarHBondContact O-N 2.82Å
388E33.8Very low44.8Very low184 Ų184127.3 Ų127.386%0.8672%0.717SS**  trans-57.3117.2164-72.5179.7148.400109.8E390E388-E390 PolarHBondContact O-N 3.45Å
389T37Very low46.2Very low133 Ų133130.8 Ų130.882%0.81671%0.713SS**  trans-84.3103163.129.90000108.2E387 V391E387-T389 PolarHBondContact O-N 2.82Å; T389-V391 PolarHBondContact O-N 3.22Å
390E47.1Very low47.3Very low187 Ų187129 Ų12987%0.87471%0.707SS**  trans-61.595.4170.6-69.5-175.4158.600110.4E388E388-E390 PolarHBondContact O-N 3.45Å
391V52Low48.6Very low100 Ų100130 Ų13061%0.60671%0.706SS**  trans-130.8116.9156.5-1740000107.7T389 D395T389-V391 PolarHBondContact O-N 3.22Å; V391-D395 HydrophobicContact CG1-CB 4.24Å
392S64.9Low49.6Very low57 Ų57132.6 Ų132.640%0.39971%0.705SS.*  trans-69.6144.2-177.984.40000110.7E394 D395S392-E394 PolarHBondContact O-N 2.94Å; S392-D395 PolarHBondContact O-N 3.47Å; S392-D395 PolarHBondContact OG-OD2 3Å
393L48.3Very low50.5Low137 Ų137138.1 Ų138.172%0.71773%0.726SS**Hα-helixtrans-56.7-24.8178.8-159.681.5000112.6M397L393-M397 HydrophobicContact CD2-CE 4.34Å; L393-M397 HydrophobicContact CG-CE 4.4Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 3.2Å
394E62.4Low51Low152 Ų152141.5 Ų141.571%0.7173%0.726SS**Hα-helixtrans-71.1-35.6178.1-67.7-178.5159.800112.2S392 M397 A398S392-E394 PolarHBondContact O-N 2.94Å; E394-M397 PolarHBondContact O-N 3.13Å; E394-A398 PolarHBondContact O-N 3.12Å; E394-A398 VanDerWaalsContact O-N 3.11Å
395D62.9Low52.2Low97 Ų97140.6 Ų140.652%0.51972%0.72SS.*Hα-helixtrans-70.3-35.8177.9-68-50.3000112V391 S392 A398 Q399V391-D395 HydrophobicContact CG1-CB 4.24Å; S392-D395 PolarHBondContact O-N 3.47Å; S392-D395 PolarHBondContact OG-OD2 3Å; D395-A398 PolarHBondContact O-N 2.93Å; D395-Q399 PolarHBondContact O-N 3.39Å
396L59Low53.2Low99 Ų99140.8 Ų140.852%0.51871%0.713SS.*Hα-helixtrans-67.5-40.4176.1-143.390.1000111.4A398 Q399 M400L396-A398 VanDerWaalsContact C-N 3.32Å; L396-A398 PolarHBondContact O-N 2.61Å; L396-Q399 PolarHBondContact O-N 3.47Å; L396-M400 PolarHBondContact O-N 3.49Å
397M62.8Low54.6Low100 Ų100140.9 Ų140.949%0.49371%0.706SS.*Hα-helixtrans-69.4-28.8177.3-74.7-167.7-75.400112.9L393 E394L393-M397 HydrophobicContact CD2-CE 4.34Å; L393-M397 HydrophobicContact CG-CE 4.4Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 3.2Å; E394-M397 PolarHBondContact O-N 3.13Å
398A70.4Confident56Low58 Ų58138.6 Ų138.648%0.47970%0.697SS.*Hα-helixtrans-71.6-35.6175.300000112.6E394 D395 L396E394-A398 PolarHBondContact O-N 3.12Å; E394-A398 VanDerWaalsContact O-N 3.11Å; D395-A398 PolarHBondContact O-N 2.93Å; L396-A398 VanDerWaalsContact C-N 3.32Å; L396-A398 PolarHBondContact O-N 2.61Å
399Q68.6Low57.5Low145 Ų145135.5 Ų135.568%0.67869%0.687SS**Hα-helixtrans-67.7-39.3176.1-82.8-175.5-16.600112.7D395 L396 R401 K402D395-Q399 PolarHBondContact O-N 3.39Å; L396-Q399 PolarHBondContact O-N 3.47Å; Q399-R401 VanDerWaalsContact C-N 3.27Å; Q399-R401 PolarHBondContact O-N 3.02Å; Q399-K402 PolarHBondContact O-N 3.34Å
400M56.7Low58.9Low145 Ų145135.7 Ų135.771%0.71468%0.677SS**Hα-helixtrans-70.3-18.9180-67.8-16478.600114.2L396 K402L396-M400 PolarHBondContact O-N 3.49Å; M400-K402 VanDerWaalsContact C-N 3.31Å
401R60.2Low59.8Low216 Ų216131.8 Ų131.882%0.81566%0.662SS**THydrogen-bonded Turntrans-82.7-4.5176-73.1-176.5-174-179.54.4114.1Q399Q399-R401 VanDerWaalsContact C-N 3.27Å; Q399-R401 PolarHBondContact O-N 3.02Å
402K61.6Low60.5Low193 Ų193134.4 Ų134.484%0.83967%0.667SS**THydrogen-bonded Turntrans-106.73179-84.9-173.9177.2177.70114.2Q399 M400Q399-K402 PolarHBondContact O-N 3.34Å; M400-K402 VanDerWaalsContact C-N 3.31Å
403L47.9Very low60.1Low214 Ų214141.5 Ų141.5100%1.1269%0.691SS**  trans-101.70161.8-76.6161.2000108.3

Retrieved 403 of 403 residues in 222.2 ms (Link to these results)

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