A0A3Q0KSP7_SCHMA Loading...

Retinaldehyde binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KSP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.7Very low55.7Low163 Ų163109.6 Ų109.680%0.80362%0.617SS**  0119.10-71168-175.600106.6E276M1-E276 HydrophobicContact CE-CG 3.21Å
2G35.4Very low58.8Low68 Ų68108.8 Ų108.870%0.70162%0.619SS**  trans-60.9141-172.500000112D4G2-D4 PolarHBondContact O-N 3.04Å
3S39.7Very low61.5Low113 Ų113110.5 Ų110.579%0.7962%0.619SS**THydrogen-bonded Turntrans-64.414.317448.20000114.8
4D35.6Very low63.9Low131 Ų131103.3 Ų103.370%0.70158%0.578SS**THydrogen-bonded Turntrans-116.416.5-163.8-65.5-3.6000113.5G2 N6G2-D4 PolarHBondContact O-N 3.04Å; D4-N6 PolarHBondContact O-N 3.25Å
5L44.6Very low65.9Low130 Ų13099.7 Ų99.768%0.68156%0.557SS**SBendtrans-73.580149-84.9160.4000105.9M7L5-M7 PolarHBondContact O-N 3.45Å
6N41.3Very low67.8Low139 Ų139101.3 Ų101.374%0.74356%0.559SS**  trans-30.8112168.6-86.1-28.2000107.3D4 I8D4-N6 PolarHBondContact O-N 3.25Å; N6-I8 VanDerWaalsContact C-N 3.26Å; N6-I8 PolarHBondContact O-N 2.89Å
7M50.4Low69.5Low106 Ų10697.2 Ų97.252%0.52253%0.534SS..  trans-49.4102.4172.3-80.8-103.5-71.300105.5L5 E9L5-M7 PolarHBondContact O-N 3.45Å; M7-E9 VanDerWaalsContact C-N 3.27Å; M7-E9 PolarHBondContact O-N 2.89Å
8I62.5Low71Confident112 Ų11291.9 Ų91.957%0.57451%0.505SS*.  trans-59.9105.6178.4-64.3175.3000103.4N6 L10 P150N6-I8 VanDerWaalsContact C-N 3.26Å; N6-I8 PolarHBondContact O-N 2.89Å; I8-L10 PolarHBondContact O-N 3.35Å; I8-L10 VanDerWaalsContact O-N 3.1Å; I8-P150 HydrophobicContact CB-CG 4.4Å
9E76.9Confident72.4Confident175 Ų17591.9 Ų91.982%0.81850%0.5SS*.PPolyproline II helixtrans-65121.9-167.1-165.2171.8-16900106.9M7 S11M7-E9 VanDerWaalsContact C-N 3.27Å; M7-E9 PolarHBondContact O-N 2.89Å; E9-S11 PolarHBondContact O-N 3.44Å
10L89.3Confident73.6Confident19 Ų1993.1 Ų93.110%0.09951%0.505CS..PPolyproline II helixtrans-64.2138.8-179.9-65.1-177.6000108.3I8 T14 L15 R59 P150 A151 V154I8-L10 PolarHBondContact O-N 3.35Å; I8-L10 VanDerWaalsContact O-N 3.1Å; L10-T14 HydrophobicContact CB-CG2 4.04Å; L10-T14 HydrophobicContact CD1-CG2 4.04Å; L10-T14 HydrophobicContact CD2-CG2 4.09Å; L10-T14 HydrophobicContact CG-CG2 4.28Å; L10-L15 HydrophobicContact CB-CD2 3.98Å; L10-L15 HydrophobicContact CB-CG 4.02Å; L10-L15 HydrophobicContact CD1-CD2 4.33Å; L10-R59 VanDerWaalsContact CD1-NH2 3.26Å; L10-P150 HydrophobicContact CD2-CB 4.24Å; L10-A151 HydrophobicContact CD2-CB 3.98Å; L10-V154 HydrophobicContact CD1-CG2 4.09Å
11S92Very high74.7Confident50 Ų5092 Ų9235%0.3550%0.496SS..PPolyproline II helixtrans-58.5154.5177.171.10000111.1E9 Q13 T14 L15E9-S11 PolarHBondContact O-N 3.44Å; S11-Q13 PolarHBondContact O-N 2.93Å; S11-Q13 PolarHBondContact OG-OE1 3.23Å; S11-T14 WeakPolarHBondContact O-CA 3.35Å; S11-T14 WeakPolarHBondContact O-CB 3.39Å; S11-T14 PolarHBondContact O-N 3.16Å; S11-T14 PolarHBondContact OG-N 3.07Å; S11-T14 PolarHBondContact OG-OG1 3.43Å; S11-L15 PolarHBondContact O-N 3.37Å
12P93.5Very high77.3Confident100 Ų10084.2 Ų84.265%0.64946%0.458SS*.Hα-helixtrans-52.2-40.9177.7-29.236.3000113.4T14 L15 E16P12-T14 VanDerWaalsContact C-N 3.3Å; P12-T14 PolarHBondContact O-N 3.19Å; P12-L15 PolarHBondContact O-N 3.11Å; P12-E16 PolarHBondContact O-N 3.42Å
13Q93.4Very high80.2Confident131 Ų13185.8 Ų85.861%0.61245%0.451SS*.Hα-helixtrans-64.7-35.3176.7-58.186.3-600112.1S11 K17S11-Q13 PolarHBondContact O-N 2.93Å; S11-Q13 PolarHBondContact OG-OE1 3.23Å; Q13-K17 WeakPolarHBondContact O-CB 3.47Å; Q13-K17 PolarHBondContact O-N 3.21Å
14T95.3Very high82.9Confident9 Ų980.5 Ų80.56%0.05541%0.414CS..Hα-helixtrans-70.6-40.4176.5-53.50000111L10 S11 P12 K17 A18 A151 V154 H155L10-T14 HydrophobicContact CB-CG2 4.04Å; L10-T14 HydrophobicContact CD1-CG2 4.04Å; L10-T14 HydrophobicContact CD2-CG2 4.09Å; L10-T14 HydrophobicContact CG-CG2 4.28Å; S11-T14 WeakPolarHBondContact O-CA 3.35Å; S11-T14 WeakPolarHBondContact O-CB 3.39Å; S11-T14 PolarHBondContact O-N 3.16Å; S11-T14 PolarHBondContact OG-N 3.07Å; S11-T14 PolarHBondContact OG-OG1 3.43Å; P12-T14 VanDerWaalsContact C-N 3.3Å; P12-T14 PolarHBondContact O-N 3.19Å; T14-K17 PolarHBondContact O-N 2.94Å; T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 2.93Å; T14-A151 HydrophobicContact CG2-CB 4.37Å; T14-V154 HydrophobicContact CG2-CB 3.88Å; T14-V154 HydrophobicContact CG2-CG1 3.96Å; T14-V154 HydrophobicContact CG2-CG2 4.06Å; T14-H155 VanDerWaalsContact CG2-NE2 3.34Å; T14-H155 WeakPolarHBondContact CG2-NE2 3.42Å; T14-H155 PolarHBondContact OG1-NE2 3.26Å; T14-H155 VanDerWaalsContact OG1-NE2 3.14Å
15L94.8Very high85.7Confident50 Ų5078.8 Ų78.826%0.26240%0.401SS..Hα-helixtrans-63.3-43.2175.2-70.4171.4000111.6L10 S11 P12 A18 F19L10-L15 HydrophobicContact CB-CD2 3.98Å; L10-L15 HydrophobicContact CB-CG 4.02Å; L10-L15 HydrophobicContact CD1-CD2 4.33Å; S11-L15 PolarHBondContact O-N 3.37Å; P12-L15 PolarHBondContact O-N 3.11Å; L15-A18 PolarHBondContact O-N 2.92Å; L15-F19 PolarHBondContact O-N 3.27Å
16E96Very high87.9Confident124 Ų12476 Ų7658%0.57939%0.391SS*.Hα-helixtrans-61-46.4174.7-176.6176.6-157.900111.3P12 A18 F19 L20P12-E16 PolarHBondContact O-N 3.42Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.11Å; E16-F19 WeakPolarHBondContact O-CB 3.44Å; E16-F19 PolarHBondContact O-N 3.41Å; E16-L20 HydrophobicContact CG-CD1 3.95Å; E16-L20 HydrophobicContact CG-CG 4.45Å; E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.3Å
17K96.5Very high90.4Very high33 Ų3377.3 Ų77.314%0.14339%0.392CS..Hα-helixtrans-60.6-40.4174.9-172174.9-170.7165.50112.2Q13 T14 F19 L20 E21 E112 V154 H155Q13-K17 WeakPolarHBondContact O-CB 3.47Å; Q13-K17 PolarHBondContact O-N 3.21Å; T14-K17 PolarHBondContact O-N 2.94Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-L20 PolarHBondContact O-N 2.92Å; K17-E21 WeakPolarHBondContact CE-OE1 3.35Å; K17-E21 HydrophobicContact CG-CG 4.22Å; K17-E21 WeakPolarHBondContact O-CB 3.24Å; K17-E21 PolarHBondContact O-N 2.86Å; K17-E112 PolarHBondContact NZ-O 3.39Å; K17-V154 HydrophobicContact CB-CG1 4.14Å; K17-V154 HydrophobicContact CD-CG1 4.33Å; K17-V154 HydrophobicContact CG-CG1 4.11Å; K17-H155 PolarHBondContact NZ-ND1 3.26Å
18A97Very high92.5Very high1 Ų176.9 Ų76.91%0.00839%0.389CS..Hα-helixtrans-63.6-41.517700000111.6T14 L15 E16 L22 N23 E24 V154T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 2.92Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.11Å; A18-L22 HydrophobicContact CB-CD1 4.38Å; A18-L22 CarbonylContact O-C 3.49Å; A18-L22 WeakPolarHBondContact O-CA 3.35Å; A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 PolarHBondContact O-N 3.46Å; A18-N23 PolarHBondContact O-N 2.81Å; A18-E24 HydrophobicContact CB-CB 3.93Å; A18-E24 HydrophobicContact CB-CG 4.39Å; A18-E24 PolarHBondContact O-N 2.7Å; A18-E24 VanDerWaalsContact O-N 3.16Å; A18-V154 HydrophobicContact CB-CG1 3.84Å; A18-V154 HydrophobicContact CB-CG2 3.92Å
19F97.1Very high94.1Very high93 Ų9373.2 Ų73.241%0.40837%0.368SS..Hα-helixtrans-60.9-52.6174176.2-100.3000111.4L15 E16 K17 N23 E24 Q25L15-F19 PolarHBondContact O-N 3.27Å; E16-F19 WeakPolarHBondContact O-CB 3.44Å; E16-F19 PolarHBondContact O-N 3.41Å; K17-F19 VanDerWaalsContact C-N 3.34Å; F19-N23 WeakPolarHBondContact O-CA 3.45Å; F19-N23 PolarHBondContact O-N 2.82Å; F19-E24 WeakPolarHBondContact CA-O 3.45Å; F19-Q25 HydrophobicContact CD2-CG 4.26Å; F19-Q25 HydrophobicContact CE2-CG 4.1Å
20L96.9Very high95Very high114 Ų11469.5 Ų69.560%0.59735%0.351SS*.Hα-helixtrans-70.2-42.3-174.6-66.5174.1000113.6E16 K17E16-L20 HydrophobicContact CG-CD1 3.95Å; E16-L20 HydrophobicContact CG-CG 4.45Å; E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.3Å; K17-L20 PolarHBondContact O-N 2.92Å
21E97Very high95.4Very high70 Ų7073.4 Ų73.433%0.32737%0.372SS..Hα-helixtrans-94.7-26.9-173.8-69.1-167.2-160.400114.3K17 R194K17-E21 WeakPolarHBondContact CE-OE1 3.35Å; K17-E21 HydrophobicContact CG-CG 4.22Å; K17-E21 WeakPolarHBondContact O-CB 3.24Å; K17-E21 PolarHBondContact O-N 2.86Å; E21-R194 IonicContact OE2-NH2 2.76Å; E21-R194 PolarHBondContact OE2-NH2 3.42Å
22L97.4Very high95.7Very high0 Ų071.6 Ų71.60%036%0.36CS..Hα-helixtrans-117-2.2-171.1-42.7-179.2000114A18 E24 R59 K62 F63 V154A18-L22 HydrophobicContact CB-CD1 4.38Å; A18-L22 CarbonylContact O-C 3.49Å; A18-L22 WeakPolarHBondContact O-CA 3.35Å; A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 PolarHBondContact O-N 3.46Å; L22-E24 HydrophobicContact CB-CB 4.46Å; L22-E24 PolarHBondContact O-N 3.46Å; L22-R59 HydrophobicContact CD1-CB 4.06Å; L22-R59 HydrophobicContact CD1-CG 4.08Å; L22-K62 HydrophobicContact CD2-CG 4.26Å; L22-K62 CarbonylContact O-C 3.59Å; L22-K62 WeakPolarHBondContact O-CA 3.29Å; L22-F63 HydrophobicContact CB-CD2 4.47Å; L22-F63 WeakPolarHBondContact O-CD2 3.21Å; L22-F63 PolarHBondContact O-N 3.21Å; L22-V154 HydrophobicContact CD1-CB 4.42Å; L22-V154 HydrophobicContact CD1-CG1 4.29Å; L22-V154 HydrophobicContact CD1-CG2 4.21Å
23N97.2Very high96Very high102 Ų10267 Ų6755%0.54533%0.33SS..  trans57.627.2-173.1-42.3-61.6000112A18 F19 Q25 K62A18-N23 PolarHBondContact O-N 2.81Å; F19-N23 WeakPolarHBondContact O-CA 3.45Å; F19-N23 PolarHBondContact O-N 2.82Å; N23-Q25 PolarHBondContact O-N 3.21Å; N23-Q25 VanDerWaalsContact O-N 3.11Å; N23-K62 PolarHBondContact ND2-O 3.35Å
24E96.7Very high96.2Very high2 Ų262.9 Ų62.91%0.00932%0.318CS..  trans-77.597.3178.1-178.3166.7164.900109.3A18 F19 L22 P26 R29 R59 F63A18-E24 HydrophobicContact CB-CB 3.93Å; A18-E24 HydrophobicContact CB-CG 4.39Å; A18-E24 PolarHBondContact O-N 2.7Å; A18-E24 VanDerWaalsContact O-N 3.16Å; F19-E24 WeakPolarHBondContact CA-O 3.45Å; L22-E24 HydrophobicContact CB-CB 4.46Å; L22-E24 PolarHBondContact O-N 3.46Å; E24-P26 WeakPolarHBondContact O-CD 3.39Å; E24-R29 IonicContact OE1-CZ 3.99Å; E24-R29 IonicContact OE1-NE 2.87Å; E24-R29 PolarHBondContact OE1-NE 2.99Å; E24-R29 IonicContact OE1-NH2 2.85Å; E24-R29 PolarHBondContact OE1-NH2 2.9Å; E24-R59 IonicContact OE1-CZ 3.93Å; E24-R59 IonicContact OE1-NE 3.45Å; E24-R59 IonicContact OE1-NH2 3.5Å; E24-R59 PolarHBondContact OE1-NH2 2.94Å; E24-R59 WeakPolarHBondContact OE2-CG 3.48Å; E24-R59 IonicContact OE2-CZ 2.67Å; E24-R59 IonicContact OE2-NE 3.84Å; E24-R59 PolarHBondContact OE2-NE 3.35Å; E24-R59 IonicContact OE2-NH2 2.7Å; E24-R59 PolarHBondContact OE2-NH2 3.21Å; E24-F63 HydrophobicContact CB-CD2 3.82Å; E24-F63 HydrophobicContact CB-CE2 3.38Å; E24-F63 HydrophobicContact CB-CZ 3.83Å; E24-F63 HydrophobicContact CG-CD2 4.33Å; E24-F63 HydrophobicContact CG-CE1 4.21Å; E24-F63 HydrophobicContact CG-CE2 3.46Å; E24-F63 VanDerWaalsContact CG-CE2 3.46Å; E24-F63 HydrophobicContact CG-CZ 3.38Å; E24-F63 WeakPolarHBondContact OE2-CE2 3.36Å
25Q94Very high96.3Very high94 Ų9465.9 Ų65.944%0.43933%0.332SS..  trans-85.7116.6173.1-61.4-127.812.100109.2F19 N23 Q27 Q28 R29F19-Q25 HydrophobicContact CD2-CG 4.26Å; F19-Q25 HydrophobicContact CE2-CG 4.1Å; N23-Q25 PolarHBondContact O-N 3.21Å; N23-Q25 VanDerWaalsContact O-N 3.11Å; Q25-Q27 PolarHBondContact O-N 3.04Å; Q25-Q27 VanDerWaalsContact O-N 3.11Å; Q25-Q28 HydrophobicContact CB-CB 4.11Å; Q25-Q28 HydrophobicContact CB-CG 4.18Å; Q25-Q28 PolarHBondContact O-N 3.07Å; Q25-R29 PolarHBondContact O-N 3.32Å
26P90.7Very high96.5Very high71 Ų7163.5 Ų63.546%0.46132%0.319SS..G310 helixtrans-53.6-38.5-175.3-2936000113.5E24 Q28 R29E24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-Q28 VanDerWaalsContact C-N 3.31Å; P26-Q28 PolarHBondContact O-N 2.8Å; P26-R29 WeakPolarHBondContact O-CB 3.37Å; P26-R29 PolarHBondContact O-N 3.07Å
27Q93.4Very high96.6Very high167 Ų16760.2 Ų60.278%0.7830%0.302SS*.G310 helixtrans-69.4-25.3179.7-611698.100113.5Q25Q25-Q27 PolarHBondContact O-N 3.04Å; Q25-Q27 VanDerWaalsContact O-N 3.11Å
28Q94.4Very high96.6Very high98 Ų9863.2 Ų63.246%0.45832%0.316SS..G310 helixtrans-101.9-3.7-179.3-60.2-59.6-31.300112.9Q25 P26 Q30 N31 A32Q25-Q28 HydrophobicContact CB-CB 4.11Å; Q25-Q28 HydrophobicContact CB-CG 4.18Å; Q25-Q28 PolarHBondContact O-N 3.07Å; P26-Q28 VanDerWaalsContact C-N 3.31Å; P26-Q28 PolarHBondContact O-N 2.8Å; Q28-Q30 PolarHBondContact O-N 3.29Å; Q28-N31 PolarHBondContact O-N 3.44Å; Q28-N31 PolarHBondContact OE1-ND2 2.92Å; Q28-A32 WeakPolarHBondContact O-CB 3.33Å; Q28-A32 PolarHBondContact O-N 3.37Å
29R95.9Very high96.6Very high34 Ų3466.4 Ų66.413%0.12833%0.328CS..Hα-helixtrans-55.5-50.2-175.7-177.1-171.9-66.1137.3-1.6111.7E24 Q25 P26 A32 I33 L55E24-R29 IonicContact OE1-CZ 3.99Å; E24-R29 IonicContact OE1-NE 2.87Å; E24-R29 PolarHBondContact OE1-NE 2.99Å; E24-R29 IonicContact OE1-NH2 2.85Å; E24-R29 PolarHBondContact OE1-NH2 2.9Å; Q25-R29 PolarHBondContact O-N 3.32Å; P26-R29 WeakPolarHBondContact O-CB 3.37Å; P26-R29 PolarHBondContact O-N 3.07Å; R29-A32 PolarHBondContact O-N 2.86Å; R29-I33 HydrophobicContact CG-CD1 4.02Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 3.48Å; R29-L55 HydrophobicContact CG-CD1 4.11Å
30Q96.8Very high96.5Very high98 Ų9862 Ų6246%0.45831%0.308SS..Hα-helixtrans-66.1-39.8-177.8-70.8-59.7-17.300112.4Q28 A32 I33 A34 D51Q28-Q30 PolarHBondContact O-N 3.29Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.34Å; Q30-I33 PolarHBondContact O-N 3Å; Q30-A34 WeakPolarHBondContact O-CB 3.35Å; Q30-A34 PolarHBondContact O-N 3.33Å; Q30-D51 PolarHBondContact OE1-OD2 3.04Å
31N97.9Very high96.4Very high100 Ų10061.7 Ų61.754%0.53530%0.304SS..Hα-helixtrans-61.8-42.5173.7-64.9-16.7000111.5Q28 A34 E35Q28-N31 PolarHBondContact O-N 3.44Å; Q28-N31 PolarHBondContact OE1-ND2 2.92Å; N31-A34 PolarHBondContact O-N 2.94Å; N31-E35 WeakPolarHBondContact O-CB 3.19Å; N31-E35 PolarHBondContact O-N 2.94Å
32A98.3Very high96.1Very high13 Ų1364.2 Ų64.211%0.10732%0.319CS..Hα-helixtrans-66.2-37.8178.600000112.7Q28 R29 Q30 L36 L58 F63 Q65Q28-A32 WeakPolarHBondContact O-CB 3.33Å; Q28-A32 PolarHBondContact O-N 3.37Å; R29-A32 PolarHBondContact O-N 2.86Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.34Å; A32-L36 PolarHBondContact O-N 2.76Å; A32-L36 VanDerWaalsContact O-N 3.07Å; A32-L58 HydrophobicContact CB-CD1 4.12Å; A32-F63 HydrophobicContact CB-CD1 3.87Å; A32-F63 HydrophobicContact CB-CE1 3.96Å; A32-Q65 PolarHBondContact O-NE2 3.07Å
33I98.4Very high95.7Very high2 Ų269.1 Ų69.11%0.0134%0.342CS..Hα-helixtrans-65.5-46.5173.7-69.1169.2000110.2R29 Q30 E35 L36 R37 D51 L54 L55 L58R29-I33 HydrophobicContact CG-CD1 4.02Å; R29-I33 WeakPolarHBondContact O-CG1 3.46Å; R29-I33 PolarHBondContact O-N 3.48Å; Q30-I33 PolarHBondContact O-N 3Å; I33-E35 PolarHBondContact O-N 3.01Å; I33-L36 PolarHBondContact O-N 2.73Å; I33-R37 VanDerWaalsContact CG2-NH2 3.26Å; I33-R37 WeakPolarHBondContact O-CB 3.41Å; I33-R37 PolarHBondContact O-N 2.98Å; I33-D51 HydrophobicContact CD1-CB 4.35Å; I33-D51 HydrophobicContact CG2-CB 4.21Å; I33-L54 HydrophobicContact CG2-CB 4.35Å; I33-L54 HydrophobicContact CG2-CD1 4.22Å; I33-L55 HydrophobicContact CD1-CB 4.29Å; I33-L55 HydrophobicContact CD1-CD1 4.35Å; I33-L58 HydrophobicContact CB-CD1 4.47Å; I33-L58 HydrophobicContact CG1-CD1 3.73Å
34A98.2Very high95.1Very high45 Ų4569.3 Ų69.337%0.37235%0.351SS..Hα-helixtrans-60.6-43.8178.100000112.5Q30 N31 R37 H38Q30-A34 WeakPolarHBondContact O-CB 3.35Å; Q30-A34 PolarHBondContact O-N 3.33Å; N31-A34 PolarHBondContact O-N 2.94Å; A34-R37 PolarHBondContact O-N 2.88Å; A34-H38 WeakPolarHBondContact O-CB 3.41Å; A34-H38 PolarHBondContact O-N 3.38Å
35E98.3Very high94.4Very high73 Ų7371.8 Ų71.834%0.34136%0.364SS..Hα-helixtrans-61.9-46.3175.9177.263-173.900111.7N31 I33 R37 H38 R39 Q65N31-E35 WeakPolarHBondContact O-CB 3.19Å; N31-E35 PolarHBondContact O-N 2.94Å; I33-E35 PolarHBondContact O-N 3.01Å; E35-R37 PolarHBondContact O-N 3.5Å; E35-H38 PolarHBondContact O-N 2.85Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.82Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 2.89Å; E35-R39 IonicContact OE1-NH2 3.2Å; E35-R39 PolarHBondContact OE1-NH2 3.33Å; E35-Q65 HydrophobicContact CG-CG 4.25Å
36L98.3Very high93.9Very high0 Ų070.9 Ų70.90%036%0.36CS..Hα-helixtrans-61.7-44.9177.7-179.958.1000111.1A32 I33 H38 R39 I40 L54 F57 L58 A68 L69A32-L36 PolarHBondContact O-N 2.76Å; A32-L36 VanDerWaalsContact O-N 3.07Å; I33-L36 PolarHBondContact O-N 2.73Å; L36-H38 PolarHBondContact O-N 3.25Å; L36-R39 PolarHBondContact O-N 2.93Å; L36-I40 HydrophobicContact CD1-CD1 4.08Å; L36-I40 HydrophobicContact CD1-CG1 4.3Å; L36-I40 HydrophobicContact CG-CD1 3.87Å; L36-I40 WeakPolarHBondContact O-CD1 3.44Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.06Å; L36-I40 PolarHBondContact O-N 3.19Å; L36-L54 HydrophobicContact CD2-CB 4.34Å; L36-L54 HydrophobicContact CD2-CD2 4.44Å; L36-F57 HydrophobicContact CD2-CB 4.33Å; L36-L58 HydrophobicContact CB-CD2 4.41Å; L36-L58 HydrophobicContact CD2-CD1 4.42Å; L36-L58 HydrophobicContact CD2-CD2 4.01Å; L36-L58 HydrophobicContact CD2-CG 3.82Å; L36-A68 HydrophobicContact CD1-CB 4.32Å; L36-A68 HydrophobicContact CD2-CB 4.19Å; L36-L69 HydrophobicContact CD1-CB 3.99Å; L36-L69 HydrophobicContact CD1-CD1 4.32Å
37R97.8Very high93.9Very high55 Ų5568 Ų6821%0.20834%0.343CS..Hα-helixtrans-57.5-49.1176.8-171.7-177.7-54.8101.7-1.2111.5I33 A34 E35 R39 I40 Q41 L49 D51 L54I33-R37 VanDerWaalsContact CG2-NH2 3.26Å; I33-R37 WeakPolarHBondContact O-CB 3.41Å; I33-R37 PolarHBondContact O-N 2.98Å; A34-R37 PolarHBondContact O-N 2.88Å; E35-R37 PolarHBondContact O-N 3.5Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-R39 PolarHBondContact O-N 3.14Å; R37-I40 PolarHBondContact O-N 3.1Å; R37-Q41 WeakPolarHBondContact O-CG 3.35Å; R37-Q41 PolarHBondContact O-N 3.47Å; R37-L49 HydrophobicContact CG-CB 4.19Å; R37-L49 HydrophobicContact CG-CD1 4.17Å; R37-L49 HydrophobicContact CG-CD2 4.26Å; R37-L49 HydrophobicContact CG-CG 4.44Å; R37-L49 PolarHBondContact NE-O 3.23Å; R37-D51 IonicContact CZ-OD1 2.62Å; R37-D51 VanDerWaalsContact NH2-CG 3.32Å; R37-D51 IonicContact NH2-OD1 3.54Å; R37-D51 PolarHBondContact NH2-OD1 3.24Å; R37-D51 IonicContact NH2-OD2 3.58Å; R37-L54 HydrophobicContact CB-CD1 3.72Å; R37-L54 HydrophobicContact CG-CD1 4.18Å
38H97.1Very high94Very high96 Ų9660.3 Ų60.344%0.44431%0.308SS..Hα-helixtrans-59.1-45178.9177.5-110.6000111.5A34 E35 L36 I40 Q41 L42A34-H38 WeakPolarHBondContact O-CB 3.41Å; A34-H38 PolarHBondContact O-N 3.38Å; E35-H38 PolarHBondContact O-N 2.85Å; L36-H38 PolarHBondContact O-N 3.25Å; H38-I40 PolarHBondContact O-N 3.4Å; H38-Q41 PolarHBondContact O-N 2.75Å; H38-L42 WeakPolarHBondContact O-CG 3.41Å; H38-L42 PolarHBondContact O-N 2.91Å
39R96.9Very high94Very high68 Ų6857.7 Ų57.726%0.25730%0.297SS..Hα-helixtrans-62.7-38.2176.7-70.5179.8-175.6-148.51.7113.7E35 L36 R37 Q41 L42 Q43 D66 L69E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.82Å; E35-R39 IonicContact OE1-NE 2.81Å; E35-R39 PolarHBondContact OE1-NE 2.89Å; E35-R39 IonicContact OE1-NH2 3.2Å; E35-R39 PolarHBondContact OE1-NH2 3.33Å; L36-R39 PolarHBondContact O-N 2.93Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-R39 PolarHBondContact O-N 3.14Å; R39-Q41 VanDerWaalsContact C-N 3.35Å; R39-L42 PolarHBondContact O-N 2.77Å; R39-Q43 PolarHBondContact O-N 3.23Å; R39-D66 IonicContact NH1-OD1 3.5Å; R39-D66 PolarHBondContact NH1-OD1 2.96Å; R39-L69 HydrophobicContact CB-CD1 4.33Å; R39-L69 HydrophobicContact CB-CD2 4.05Å
40I95.4Very high94Very high0 Ų057.8 Ų57.80%031%0.305CS..Hα-helixtrans-63.6-44.5175.9-68.2161.8000110.1L36 R37 H38 Q43 L45 L49 L54 L69 Y72L36-I40 HydrophobicContact CD1-CD1 4.08Å; L36-I40 HydrophobicContact CD1-CG1 4.3Å; L36-I40 HydrophobicContact CG-CD1 3.87Å; L36-I40 WeakPolarHBondContact O-CD1 3.44Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.06Å; L36-I40 PolarHBondContact O-N 3.19Å; R37-I40 PolarHBondContact O-N 3.1Å; H38-I40 PolarHBondContact O-N 3.4Å; I40-Q43 PolarHBondContact O-N 3.38Å; I40-L45 HydrophobicContact CG2-CB 3.84Å; I40-L45 PolarHBondContact O-N 2.99Å; I40-L49 HydrophobicContact CB-CD2 4.21Å; I40-L49 HydrophobicContact CD1-CD2 4.15Å; I40-L49 HydrophobicContact CG2-CD2 3.75Å; I40-L54 HydrophobicContact CD1-CD2 3.6Å; I40-L69 HydrophobicContact CB-CD1 4.48Å; I40-L69 HydrophobicContact CG1-CD1 3.59Å; I40-Y72 HydrophobicContact CB-CE1 4.36Å; I40-Y72 HydrophobicContact CD1-CD1 3.73Å; I40-Y72 HydrophobicContact CD1-CD2 3.74Å; I40-Y72 HydrophobicContact CD1-CE1 3.75Å; I40-Y72 HydrophobicContact CD1-CE2 3.72Å; I40-Y72 HydrophobicContact CD1-CG 3.72Å; I40-Y72 HydrophobicContact CG1-CD1 3.82Å; I40-Y72 HydrophobicContact CG1-CE1 3.93Å; I40-Y72 HydrophobicContact CG1-CG 4.22Å; I40-Y72 HydrophobicContact CG2-CD1 4.12Å; I40-Y72 HydrophobicContact CG2-CE1 3.44Å; I40-Y72 VanDerWaalsContact CG2-CE1 3.44Å
41Q93.5Very high94Very high108 Ų10855.6 Ų55.651%0.50530%0.296SS..Hα-helixtrans-65.3-38179-70.2173.3-46.800112.5R37 H38 R39 Q43 S44 L49R37-Q41 WeakPolarHBondContact O-CG 3.35Å; R37-Q41 PolarHBondContact O-N 3.47Å; H38-Q41 PolarHBondContact O-N 2.75Å; R39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-Q43 PolarHBondContact O-N 3.42Å; Q41-S44 PolarHBondContact O-N 2.87Å; Q41-L49 HydrophobicContact CG-CD1 3.96Å
42L92.4Very high93.8Very high123 Ų12354.8 Ų54.864%0.64429%0.289SS*.Hα-helixtrans-61.5-26.4174.8-74.5177.4000113.5H38 R39 S44H38-L42 WeakPolarHBondContact O-CG 3.41Å; H38-L42 PolarHBondContact O-N 2.91Å; R39-L42 PolarHBondContact O-N 2.77Å; L42-S44 VanDerWaalsContact C-N 3.31Å
43Q88.9Confident93.7Very high103 Ų10354.5 Ų54.548%0.48129%0.285SS..THydrogen-bonded Turntrans-905.1175.9-65.7-174.2-9.700112.8R39 I40 Q41 L45R39-Q43 PolarHBondContact O-N 3.23Å; I40-Q43 PolarHBondContact O-N 3.38Å; Q41-Q43 PolarHBondContact O-N 3.42Å; Q43-L45 HydrophobicContact CB-CD1 4.08Å; Q43-L45 HydrophobicContact CB-CG 3.81Å; Q43-L45 PolarHBondContact O-N 3.46Å
44S83.8Confident93.6Very high105 Ų10554.4 Ų54.473%0.73429%0.285SS*.THydrogen-bonded Turntrans52.726.2-174.8-58.10000113.5Q41 L42Q41-S44 PolarHBondContact O-N 2.87Å; L42-S44 VanDerWaalsContact C-N 3.31Å
45L81.2Confident93.6Very high55 Ų5552.5 Ų52.529%0.28827%0.269SS..  trans-74.4131179.2-68.9176.8000109.7I40 Q43 T73I40-L45 HydrophobicContact CG2-CB 3.84Å; I40-L45 PolarHBondContact O-N 2.99Å; Q43-L45 HydrophobicContact CB-CD1 4.08Å; Q43-L45 HydrophobicContact CB-CG 3.81Å; Q43-L45 PolarHBondContact O-N 3.46Å; L45-T73 HydrophobicContact CD1-CG2 4.03Å; L45-T73 VanDerWaalsContact CD1-OG1 3.3Å; L45-T73 WeakPolarHBondContact CD1-OG1 3.21Å; L45-T73 HydrophobicContact CD2-CG2 4.27Å
46Q84.2Confident93.5Very high75 Ų7549.4 Ų49.435%0.3525%0.254SS..  trans-95.8125.1178.3-61.5-176.6-6.600110.5P281 H283Q46-P281 HydrophobicContact CB-CB 4.41Å; Q46-P281 WeakPolarHBondContact O-CB 3.49Å; Q46-P281 PolarHBondContact OE1-O 2.87Å; Q46-H283 PolarHBondContact NE2-O 3.01Å; Q46-H283 PolarHBondContact OE1-O 3Å
47G91.6Very high93.5Very high10 Ų1049.4 Ų49.410%0.10325%0.254CS..SBendtrans-178.9177.7-179.100000112L49 Y72 Y76 Y280G47-L49 PolarHBondContact O-N 3.43Å; G47-Y72 WeakPolarHBondContact CA-OH 3.23Å; G47-Y76 VanDerWaalsContact CA-CZ 3.49Å; G47-Y280 VanDerWaalsContact C-CE1 3.44Å; G47-Y280 WeakPolarHBondContact O-CE1 3.42Å
48C94.3Very high93.5Very high5 Ų546.8 Ų46.83%0.03424%0.244CC..  trans-67.9131.1174.9-179.30000109.2F53 Y72 Y76 M277 Y280C48-F53 HydrophobicContact CB-CD1 3.6Å; C48-F53 HydrophobicContact CB-CD2 4.4Å; C48-F53 HydrophobicContact CB-CE1 3.79Å; C48-F53 HydrophobicContact CB-CG 3.93Å; C48-F53 HydrophobicContact CB-CZ 4.29Å; C48-F53 VanDerWaalsContact O-CD1 3.31Å; C48-F53 WeakPolarHBondContact O-CD1 3.4Å; C48-Y72 PolarHBondContact N-OH 3.42Å; C48-Y72 WeakPolarHBondContact O-CE2 3.2Å; C48-Y72 PolarHBondContact O-OH 3.07Å; C48-Y76 PolarHBondContact N-OH 3.11Å; C48-M277 HydrophobicContact CB-CE 3.84Å; C48-M277 HydrophobicContact CB-SD 4.17Å; C48-Y280 HydrophobicContact CB-CD2 4.09Å; C48-Y280 HydrophobicContact CB-CE2 3.85Å
49L95.1Very high93.6Very high44 Ų4442.7 Ų42.723%0.2322%0.224CC..  trans-118.411.5-178.7-62.1-179.4000112.7R37 I40 Q41 G47 L54R37-L49 HydrophobicContact CG-CB 4.19Å; R37-L49 HydrophobicContact CG-CD1 4.17Å; R37-L49 HydrophobicContact CG-CD2 4.26Å; R37-L49 HydrophobicContact CG-CG 4.44Å; R37-L49 PolarHBondContact NE-O 3.23Å; I40-L49 HydrophobicContact CB-CD2 4.21Å; I40-L49 HydrophobicContact CD1-CD2 4.15Å; I40-L49 HydrophobicContact CG2-CD2 3.75Å; Q41-L49 HydrophobicContact CG-CD1 3.96Å; G47-L49 PolarHBondContact O-N 3.43Å; L49-L54 HydrophobicContact CD2-CD2 4.38Å; L49-L54 WeakPolarHBondContact O-CD1 3.46Å
50A95.1Very high93.6Very high36 Ų3640.3 Ų40.330%0.29822%0.22SC..  trans-61.8143.4174.100000110.8E52 F53 L54A50-E52 VanDerWaalsContact C-N 3.35Å; A50-E52 PolarHBondContact O-N 3.49Å; A50-F53 HydrophobicContact CB-CB 4.28Å; A50-F53 WeakPolarHBondContact O-CB 3.33Å; A50-F53 PolarHBondContact O-N 3.48Å; A50-L54 WeakPolarHBondContact O-CG 3.26Å; A50-L54 PolarHBondContact O-N 3.44Å
51D96.3Very high93.6Very high51 Ų5143.5 Ų43.527%0.27323%0.233SC..Hα-helixtrans-58.5-46-172.2-70.633.5000111.8Q30 I33 R37 F53 L54 L55Q30-D51 PolarHBondContact OE1-OD2 3.04Å; I33-D51 HydrophobicContact CD1-CB 4.35Å; I33-D51 HydrophobicContact CG2-CB 4.21Å; R37-D51 IonicContact CZ-OD1 2.62Å; R37-D51 VanDerWaalsContact NH2-CG 3.32Å; R37-D51 IonicContact NH2-OD1 3.54Å; R37-D51 PolarHBondContact NH2-OD1 3.24Å; R37-D51 IonicContact NH2-OD2 3.58Å; D51-F53 PolarHBondContact O-N 3.31Å; D51-L54 PolarHBondContact O-N 2.96Å; D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 3Å
52E93.8Very high93.8Very high84 Ų8443.7 Ų43.739%0.39323%0.233SC..Hα-helixtrans-65.9-30.9179.9-57.374.8-161.500111.6A50 R56A50-E52 VanDerWaalsContact C-N 3.35Å; A50-E52 PolarHBondContact O-N 3.49Å; E52-R56 WeakPolarHBondContact O-CG 3.38Å; E52-R56 PolarHBondContact O-NE 3.42Å
53F96.1Very high94.1Very high6 Ų639.2 Ų39.23%0.02621%0.208CC..Hα-helixtrans-73.2-49175.9-174.3-100000110.7C48 A50 D51 L55 R56 F57 Y72 Y75 Y76 M277C48-F53 HydrophobicContact CB-CD1 3.6Å; C48-F53 HydrophobicContact CB-CD2 4.4Å; C48-F53 HydrophobicContact CB-CE1 3.79Å; C48-F53 HydrophobicContact CB-CG 3.93Å; C48-F53 HydrophobicContact CB-CZ 4.29Å; C48-F53 VanDerWaalsContact O-CD1 3.31Å; C48-F53 WeakPolarHBondContact O-CD1 3.4Å; A50-F53 HydrophobicContact CB-CB 4.28Å; A50-F53 WeakPolarHBondContact O-CB 3.33Å; A50-F53 PolarHBondContact O-N 3.48Å; D51-F53 PolarHBondContact O-N 3.31Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 3.13Å; F53-R56 WeakPolarHBondContact O-CB 3.42Å; F53-R56 PolarHBondContact O-N 3.14Å; F53-F57 AromaticContact CD1-CE2 3.78Å; F53-F57 HydrophobicContact CD1-CE2 3.78Å; F53-F57 AromaticContact CE1-CE2 3.42Å; F53-F57 HydrophobicContact CE1-CE2 3.42Å; F53-F57 VanDerWaalsContact CE1-CE2 3.42Å; F53-F57 AromaticContact CE1-CZ 3.83Å; F53-F57 HydrophobicContact CE1-CZ 3.83Å; F53-F57 HydrophobicContact CE2-CE2 4.31Å; F53-F57 HydrophobicContact CG-CE2 4.38Å; F53-F57 AromaticContact CZ-CE2 3.71Å; F53-F57 HydrophobicContact CZ-CE2 3.71Å; F53-F57 AromaticContact CZ-CZ 3.79Å; F53-F57 HydrophobicContact CZ-CZ 3.79Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.44Å; F53-F57 WeakPolarHBondContact O-CE2 3.44Å; F53-Y72 HydrophobicContact CD1-CE2 4.24Å; F53-Y72 HydrophobicContact CE1-CD2 4.32Å; F53-Y72 AromaticContact CE1-CE2 3.79Å; F53-Y72 HydrophobicContact CE1-CE2 3.79Å; F53-Y75 HydrophobicContact CE2-CE1 4.37Å; F53-Y75 HydrophobicContact CZ-CD1 4.34Å; F53-Y75 AromaticContact CZ-CE1 3.62Å; F53-Y75 HydrophobicContact CZ-CE1 3.62Å; F53-Y75 AromaticContact CZ-CZ 3.69Å; F53-Y76 HydrophobicContact CE1-CE2 4.23Å; F53-Y76 WeakPolarHBondContact CE1-OH 3.37Å; F53-M277 HydrophobicContact CD2-CE 3.97Å; F53-M277 HydrophobicContact CE2-CE 3.47Å; F53-M277 VanDerWaalsContact CE2-CE 3.47Å; F53-M277 HydrophobicContact CZ-CE 3.86Å
54L97.6Very high94.5Very high0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-63.5-36.6179-66.4-176.6000112.6I33 L36 R37 I40 L49 A50 D51 R56 F57 L58 Y72I33-L54 HydrophobicContact CG2-CB 4.35Å; I33-L54 HydrophobicContact CG2-CD1 4.22Å; L36-L54 HydrophobicContact CD2-CB 4.34Å; L36-L54 HydrophobicContact CD2-CD2 4.44Å; R37-L54 HydrophobicContact CB-CD1 3.72Å; R37-L54 HydrophobicContact CG-CD1 4.18Å; I40-L54 HydrophobicContact CD1-CD2 3.6Å; L49-L54 HydrophobicContact CD2-CD2 4.38Å; L49-L54 WeakPolarHBondContact O-CD1 3.46Å; A50-L54 WeakPolarHBondContact O-CG 3.26Å; A50-L54 PolarHBondContact O-N 3.44Å; D51-L54 PolarHBondContact O-N 2.96Å; L54-R56 PolarHBondContact O-N 3.45Å; L54-F57 PolarHBondContact O-N 3.19Å; L54-L58 PolarHBondContact O-N 3.23Å; L54-Y72 HydrophobicContact CD2-CD2 3.94Å; L54-Y72 HydrophobicContact CD2-CE2 3.6Å
55L97.4Very high95.2Very high6 Ų634 Ų343%0.03117%0.174CC..Hα-helixtrans-59-31178.8-175.556.4000112.8R29 I33 D51 F53 F57 L58 R59 F63R29-L55 HydrophobicContact CG-CD1 4.11Å; I33-L55 HydrophobicContact CD1-CB 4.29Å; I33-L55 HydrophobicContact CD1-CD1 4.35Å; D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 3Å; F53-L55 VanDerWaalsContact C-N 3.32Å; F53-L55 PolarHBondContact O-N 3.13Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 3.14Å; L55-L58 PolarHBondContact O-N 2.67Å; L55-R59 HydrophobicContact CD1-CG 4.18Å; L55-R59 HydrophobicContact CG-CG 4.41Å; L55-R59 WeakPolarHBondContact O-CB 3.25Å; L55-R59 WeakPolarHBondContact O-CG 3.46Å; L55-R59 PolarHBondContact O-N 2.93Å; L55-F63 HydrophobicContact CD1-CE2 4.38Å; L55-F63 HydrophobicContact CD1-CZ 3.69Å
56R97.2Very high96Very high8 Ų836.3 Ų36.33%0.0319%0.187CC..Hα-helixtrans-57.4-43.4174.9-60.8165.7-168.1-167.15.3111.2E52 F53 L54 A60 E143 Q153 P192 Y273E52-R56 WeakPolarHBondContact O-CG 3.38Å; E52-R56 PolarHBondContact O-NE 3.42Å; F53-R56 WeakPolarHBondContact O-CB 3.42Å; F53-R56 PolarHBondContact O-N 3.14Å; L54-R56 PolarHBondContact O-N 3.45Å; R56-A60 WeakPolarHBondContact O-CB 3.46Å; R56-A60 PolarHBondContact O-N 3.27Å; R56-E143 IonicContact NH1-OE2 3.48Å; R56-Q153 HydrophobicContact CG-CG 4.32Å; R56-P192 HydrophobicContact CB-CB 3.9Å; R56-P192 HydrophobicContact CB-CG 3.95Å; R56-Y273 PolarHBondContact NH1-OH 3.38Å
57F98.1Very high96.6Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-71.8-42-177.7-60.9-90000111.8L36 F53 L54 L55 A60 K61 A68 L71 Y72 Y75 P192L36-F57 HydrophobicContact CD2-CB 4.33Å; F53-F57 AromaticContact CD1-CE2 3.78Å; F53-F57 HydrophobicContact CD1-CE2 3.78Å; F53-F57 AromaticContact CE1-CE2 3.42Å; F53-F57 HydrophobicContact CE1-CE2 3.42Å; F53-F57 VanDerWaalsContact CE1-CE2 3.42Å; F53-F57 AromaticContact CE1-CZ 3.83Å; F53-F57 HydrophobicContact CE1-CZ 3.83Å; F53-F57 HydrophobicContact CE2-CE2 4.31Å; F53-F57 HydrophobicContact CG-CE2 4.38Å; F53-F57 AromaticContact CZ-CE2 3.71Å; F53-F57 HydrophobicContact CZ-CE2 3.71Å; F53-F57 AromaticContact CZ-CZ 3.79Å; F53-F57 HydrophobicContact CZ-CZ 3.79Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.44Å; F53-F57 WeakPolarHBondContact O-CE2 3.44Å; L54-F57 PolarHBondContact O-N 3.19Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 3.14Å; F57-A60 PolarHBondContact O-N 3.31Å; F57-K61 PolarHBondContact O-N 3.37Å; F57-K61 VanDerWaalsContact O-N 3.14Å; F57-A68 HydrophobicContact CB-CB 4.41Å; F57-L71 HydrophobicContact CD1-CB 4.2Å; F57-L71 HydrophobicContact CD1-CD2 3.87Å; F57-L71 HydrophobicContact CD1-CG 3.77Å; F57-L71 HydrophobicContact CE1-CG 4.28Å; F57-Y72 HydrophobicContact CD1-CD2 4.4Å; F57-Y72 AromaticContact CD2-CD2 4Å; F57-Y72 HydrophobicContact CD2-CD2 4Å; F57-Y72 HydrophobicContact CE1-CD2 4.27Å; F57-Y72 AromaticContact CE2-CD2 3.85Å; F57-Y72 HydrophobicContact CE2-CD2 3.85Å; F57-Y72 HydrophobicContact CE2-CE2 4.45Å; F57-Y72 HydrophobicContact CG-CD2 4.28Å; F57-Y72 AromaticContact CZ-CD2 3.99Å; F57-Y72 HydrophobicContact CZ-CD2 3.99Å; F57-Y75 HydrophobicContact CE1-CD2 4.09Å; F57-Y75 AromaticContact CE1-CG 3.96Å; F57-Y75 HydrophobicContact CE1-CG 3.96Å; F57-Y75 HydrophobicContact CZ-CD1 4.22Å; F57-Y75 AromaticContact CZ-CD2 3.98Å; F57-Y75 HydrophobicContact CZ-CD2 3.98Å; F57-Y75 HydrophobicContact CZ-CE2 4.33Å; F57-Y75 AromaticContact CZ-CG 3.9Å; F57-Y75 HydrophobicContact CZ-CG 3.9Å; F57-P192 HydrophobicContact CD1-CB 4.32Å; F57-P192 HydrophobicContact CE1-CB 4.44Å; F57-P192 HydrophobicContact CE1-CG 4.33Å; F57-P192 HydrophobicContact CZ-CG 4.37Å
58L98.3Very high96.9Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-59-51.7174.1-70.7170.7000110.7A32 I33 L36 L54 L55 A60 K61 K62 F63 A68A32-L58 HydrophobicContact CB-CD1 4.12Å; I33-L58 HydrophobicContact CB-CD1 4.47Å; I33-L58 HydrophobicContact CG1-CD1 3.73Å; L36-L58 HydrophobicContact CB-CD2 4.41Å; L36-L58 HydrophobicContact CD2-CD1 4.42Å; L36-L58 HydrophobicContact CD2-CD2 4.01Å; L36-L58 HydrophobicContact CD2-CG 3.82Å; L54-L58 PolarHBondContact O-N 3.23Å; L55-L58 PolarHBondContact O-N 2.67Å; L58-A60 PolarHBondContact O-N 3.15Å; L58-K61 CarbonylContact O-C 3.59Å; L58-K61 VanDerWaalsContact O-C 3.32Å; L58-K61 PolarHBondContact O-N 3.41Å; L58-K61 VanDerWaalsContact O-N 3.13Å; L58-K62 PolarHBondContact O-N 3.05Å; L58-F63 HydrophobicContact CB-CD1 4.33Å; L58-F63 HydrophobicContact CB-CD2 4.32Å; L58-F63 HydrophobicContact CB-CE1 4.23Å; L58-F63 HydrophobicContact CB-CE2 4.19Å; L58-F63 HydrophobicContact CB-CG 4.37Å; L58-F63 HydrophobicContact CB-CZ 4.15Å; L58-F63 HydrophobicContact CD1-CE1 4.2Å; L58-F63 PolarHBondContact O-N 2.86Å; L58-A68 HydrophobicContact CD2-CB 3.96Å
59R97.6Very high97Very high9 Ų935.4 Ų35.43%0.03418%0.182CC..Hα-helixtrans-61.2-43.9177.8-75.2176.4172.6160.3-0.1112.6L10 L22 E24 L55 K61 K62 F63 Q153L10-R59 VanDerWaalsContact CD1-NH2 3.26Å; L22-R59 HydrophobicContact CD1-CB 4.06Å; L22-R59 HydrophobicContact CD1-CG 4.08Å; E24-R59 IonicContact OE1-CZ 3.93Å; E24-R59 IonicContact OE1-NE 3.45Å; E24-R59 IonicContact OE1-NH2 3.5Å; E24-R59 PolarHBondContact OE1-NH2 2.94Å; E24-R59 WeakPolarHBondContact OE2-CG 3.48Å; E24-R59 IonicContact OE2-CZ 2.67Å; E24-R59 IonicContact OE2-NE 3.84Å; E24-R59 PolarHBondContact OE2-NE 3.35Å; E24-R59 IonicContact OE2-NH2 2.7Å; E24-R59 PolarHBondContact OE2-NH2 3.21Å; L55-R59 HydrophobicContact CD1-CG 4.18Å; L55-R59 HydrophobicContact CG-CG 4.41Å; L55-R59 WeakPolarHBondContact O-CB 3.25Å; L55-R59 WeakPolarHBondContact O-CG 3.46Å; L55-R59 PolarHBondContact O-N 2.93Å; R59-K61 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact O-N 3.14Å; R59-K62 PolarHBondContact O-N 3.32Å; R59-F63 HydrophobicContact CG-CE2 3.87Å; R59-Q153 HydrophobicContact CB-CB 4.26Å
60A96.9Very high97Very high19 Ų1940.6 Ų40.616%0.15720%0.198CC..Hα-helixtrans-57.9-29.3177.400000113R56 F57 L58 L71 P192R56-A60 WeakPolarHBondContact O-CB 3.46Å; R56-A60 PolarHBondContact O-N 3.27Å; F57-A60 PolarHBondContact O-N 3.31Å; L58-A60 PolarHBondContact O-N 3.15Å; A60-L71 HydrophobicContact CB-CD2 3.62Å; A60-P192 HydrophobicContact CB-CB 3.88Å; A60-P192 VanDerWaalsContact CB-O 3.31Å; A60-P192 WeakPolarHBondContact CB-O 3.43Å
61K97.3Very high97.1Very high67 Ų6739 Ų3929%0.29119%0.185SC..THydrogen-bonded Turntrans-113.722.5-177.7-58.7-57-173.3-153.40113.7F57 L58 R59 F63 N64 N67 A68 L71F57-K61 PolarHBondContact O-N 3.37Å; F57-K61 VanDerWaalsContact O-N 3.14Å; L58-K61 CarbonylContact O-C 3.59Å; L58-K61 VanDerWaalsContact O-C 3.32Å; L58-K61 PolarHBondContact O-N 3.41Å; L58-K61 VanDerWaalsContact O-N 3.13Å; R59-K61 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact O-N 3.14Å; K61-F63 VanDerWaalsContact C-N 3.25Å; K61-F63 PolarHBondContact O-N 2.73Å; K61-N64 WeakPolarHBondContact O-CB 3.42Å; K61-N64 PolarHBondContact O-N 2.88Å; K61-N64 VanDerWaalsContact O-N 3.07Å; K61-N67 HydrophobicContact CB-CB 3.81Å; K61-N67 HydrophobicContact CD-CB 4.14Å; K61-N67 HydrophobicContact CG-CB 3.97Å; K61-A68 HydrophobicContact CB-CB 4.27Å; K61-L71 HydrophobicContact CD-CD2 4.29Å; K61-L71 HydrophobicContact CG-CB 4.21Å; K61-L71 HydrophobicContact CG-CD2 4Å
62K97.3Very high97.1Very high112 Ų11236.7 Ų36.749%0.48717%0.172SC..THydrogen-bonded Turntrans53.143.2174.7-50.4-172.8173.7-161.90113L22 N23 L58 R59 N64L22-K62 HydrophobicContact CD2-CG 4.26Å; L22-K62 CarbonylContact O-C 3.59Å; L22-K62 WeakPolarHBondContact O-CA 3.29Å; N23-K62 PolarHBondContact ND2-O 3.35Å; L58-K62 PolarHBondContact O-N 3.05Å; R59-K62 PolarHBondContact O-N 3.32Å; K62-N64 PolarHBondContact O-N 2.58Å
63F97.7Very high97.1Very high29 Ų2934 Ų3413%0.12716%0.161CC..THydrogen-bonded Turntrans5915-178.8-82.5-107.3000115.2L22 E24 A32 L55 L58 R59 K61 Q65L22-F63 HydrophobicContact CB-CD2 4.47Å; L22-F63 WeakPolarHBondContact O-CD2 3.21Å; L22-F63 PolarHBondContact O-N 3.21Å; E24-F63 HydrophobicContact CB-CD2 3.82Å; E24-F63 HydrophobicContact CB-CE2 3.38Å; E24-F63 HydrophobicContact CB-CZ 3.83Å; E24-F63 HydrophobicContact CG-CD2 4.33Å; E24-F63 HydrophobicContact CG-CE1 4.21Å; E24-F63 HydrophobicContact CG-CE2 3.46Å; E24-F63 VanDerWaalsContact CG-CE2 3.46Å; E24-F63 HydrophobicContact CG-CZ 3.38Å; E24-F63 WeakPolarHBondContact OE2-CE2 3.36Å; A32-F63 HydrophobicContact CB-CD1 3.87Å; A32-F63 HydrophobicContact CB-CE1 3.96Å; L55-F63 HydrophobicContact CD1-CE2 4.38Å; L55-F63 HydrophobicContact CD1-CZ 3.69Å; L58-F63 HydrophobicContact CB-CD1 4.33Å; L58-F63 HydrophobicContact CB-CD2 4.32Å; L58-F63 HydrophobicContact CB-CE1 4.23Å; L58-F63 HydrophobicContact CB-CE2 4.19Å; L58-F63 HydrophobicContact CB-CG 4.37Å; L58-F63 HydrophobicContact CB-CZ 4.15Å; L58-F63 HydrophobicContact CD1-CE1 4.2Å; L58-F63 PolarHBondContact O-N 2.86Å; R59-F63 HydrophobicContact CG-CE2 3.87Å; K61-F63 VanDerWaalsContact C-N 3.25Å; K61-F63 PolarHBondContact O-N 2.73Å; F63-Q65 PolarHBondContact O-N 2.9Å
64N98.1Very high96.9Very high68 Ų6835.9 Ų35.936%0.36417%0.172SC..  trans-77.2112.3170.2-179.7-83.1000110.1K61 K62 D66 N67 A68K61-N64 WeakPolarHBondContact O-CB 3.42Å; K61-N64 PolarHBondContact O-N 2.88Å; K61-N64 VanDerWaalsContact O-N 3.07Å; K62-N64 PolarHBondContact O-N 2.58Å; N64-D66 PolarHBondContact O-N 3.41Å; N64-D66 PolarHBondContact OD1-N 3.43Å; N64-N67 HydrophobicContact CB-CB 4.22Å; N64-N67 VanDerWaalsContact CG-ND2 3.31Å; N64-N67 PolarHBondContact O-N 3.1Å; N64-N67 VanDerWaalsContact OD1-CB 3.24Å; N64-N67 WeakPolarHBondContact OD1-CB 3.38Å; N64-N67 VanDerWaalsContact OD1-CG 3.28Å; N64-N67 PolarHBondContact OD1-N 2.92Å; N64-N67 PolarHBondContact OD1-ND2 3.2Å; N64-A68 WeakPolarHBondContact O-CB 3.12Å; N64-A68 PolarHBondContact O-N 2.92Å
65Q97.8Very high96.8Very high31 Ų3136 Ų3615%0.14517%0.172CC..Hα-helixtrans-57-48.6-174.5-71.2-67.2-11.900113.3A32 E35 F63 N67 A68 L69A32-Q65 PolarHBondContact O-NE2 3.07Å; E35-Q65 HydrophobicContact CG-CG 4.25Å; F63-Q65 PolarHBondContact O-N 2.9Å; Q65-N67 PolarHBondContact O-N 2.73Å; Q65-A68 PolarHBondContact O-N 3.17Å; Q65-L69 WeakPolarHBondContact O-CB 3.44Å; Q65-L69 PolarHBondContact O-N 3.17Å
66D97.9Very high96.6Very high103 Ų10336.3 Ų36.355%0.55117%0.173SC*.Hα-helixtrans-65.2-41.3-176.7-55.7-37000111.8R39 N64 R70R39-D66 IonicContact NH1-OD1 3.5Å; R39-D66 PolarHBondContact NH1-OD1 2.96Å; N64-D66 PolarHBondContact O-N 3.41Å; N64-D66 PolarHBondContact OD1-N 3.43Å; D66-R70 WeakPolarHBondContact O-CB 3.36Å; D66-R70 PolarHBondContact O-N 3.21Å
67N97.2Very high96.3Very high53 Ų5339.4 Ų39.428%0.28319%0.189SC..Hα-helixtrans-69-37.7176.4-76.3-53.5000112.1K61 N64 Q65 R70 L71K61-N67 HydrophobicContact CB-CB 3.81Å; K61-N67 HydrophobicContact CD-CB 4.14Å; K61-N67 HydrophobicContact CG-CB 3.97Å; N64-N67 HydrophobicContact CB-CB 4.22Å; N64-N67 VanDerWaalsContact CG-ND2 3.31Å; N64-N67 PolarHBondContact O-N 3.1Å; N64-N67 VanDerWaalsContact OD1-CB 3.24Å; N64-N67 WeakPolarHBondContact OD1-CB 3.38Å; N64-N67 VanDerWaalsContact OD1-CG 3.28Å; N64-N67 PolarHBondContact OD1-N 2.92Å; N64-N67 PolarHBondContact OD1-ND2 3.2Å; Q65-N67 PolarHBondContact O-N 2.73Å; N67-R70 PolarHBondContact OD1-NH2 2.92Å; N67-L71 WeakPolarHBondContact O-CB 3.38Å; N67-L71 PolarHBondContact O-N 2.72Å
68A97.8Very high95.9Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-65.1-46.4177.100000110.9L36 F57 L58 K61 N64 Q65 R70 L71 Y72L36-A68 HydrophobicContact CD1-CB 4.32Å; L36-A68 HydrophobicContact CD2-CB 4.19Å; F57-A68 HydrophobicContact CB-CB 4.41Å; L58-A68 HydrophobicContact CD2-CB 3.96Å; K61-A68 HydrophobicContact CB-CB 4.27Å; N64-A68 WeakPolarHBondContact O-CB 3.12Å; N64-A68 PolarHBondContact O-N 2.92Å; Q65-A68 PolarHBondContact O-N 3.17Å; A68-R70 PolarHBondContact O-N 3.02Å; A68-L71 PolarHBondContact O-N 2.98Å; A68-Y72 PolarHBondContact O-N 3.25Å
69L96.9Very high95.6Very high18 Ų1840.2 Ų40.29%0.09419%0.193CC..Hα-helixtrans-57.3-50.3173.8-179.161.7000111L36 R39 I40 Q65 L71 Y72 T73L36-L69 HydrophobicContact CD1-CB 3.99Å; L36-L69 HydrophobicContact CD1-CD1 4.32Å; R39-L69 HydrophobicContact CB-CD1 4.33Å; R39-L69 HydrophobicContact CB-CD2 4.05Å; I40-L69 HydrophobicContact CB-CD1 4.48Å; I40-L69 HydrophobicContact CG1-CD1 3.59Å; Q65-L69 WeakPolarHBondContact O-CB 3.44Å; Q65-L69 PolarHBondContact O-N 3.17Å; L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 PolarHBondContact O-N 3.05Å; L69-Y72 WeakPolarHBondContact O-CB 3.3Å; L69-Y72 PolarHBondContact O-N 3.2Å; L69-Y72 VanDerWaalsContact O-N 3.11Å; L69-T73 PolarHBondContact O-N 2.98Å; L69-T73 PolarHBondContact O-OG1 3.2Å
70R95.3Very high95.2Very high153 Ų15344.3 Ų44.358%0.57722%0.215SC*.Hα-helixtrans-58-39.8177-179.2169.962.5172.8-2.3112.9D66 N67 A68 N74D66-R70 WeakPolarHBondContact O-CB 3.36Å; D66-R70 PolarHBondContact O-N 3.21Å; N67-R70 PolarHBondContact OD1-NH2 2.92Å; A68-R70 PolarHBondContact O-N 3.02Å; R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 PolarHBondContact O-N 2.92Å; R70-N74 PolarHBondContact O-ND2 2.7Å
71L96Very high94.9Very high3 Ų350.8 Ų50.82%0.01624%0.235CC..Hα-helixtrans-67.2-42.1176.7-179.564.6000111.7F57 A60 K61 N67 A68 L69 N74 Y75 G189 P192F57-L71 HydrophobicContact CD1-CB 4.2Å; F57-L71 HydrophobicContact CD1-CD2 3.87Å; F57-L71 HydrophobicContact CD1-CG 3.77Å; F57-L71 HydrophobicContact CE1-CG 4.28Å; A60-L71 HydrophobicContact CB-CD2 3.62Å; K61-L71 HydrophobicContact CD-CD2 4.29Å; K61-L71 HydrophobicContact CG-CB 4.21Å; K61-L71 HydrophobicContact CG-CD2 4Å; N67-L71 WeakPolarHBondContact O-CB 3.38Å; N67-L71 PolarHBondContact O-N 2.72Å; A68-L71 PolarHBondContact O-N 2.98Å; L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 PolarHBondContact O-N 3.05Å; L71-N74 PolarHBondContact O-N 2.99Å; L71-Y75 WeakPolarHBondContact O-CB 3.33Å; L71-Y75 PolarHBondContact O-N 3.11Å; L71-G189 VanDerWaalsContact CD1-O 3.28Å; L71-G189 WeakPolarHBondContact CD1-O 3.34Å; L71-P192 HydrophobicContact CD2-CB 4.05Å
72Y96.3Very high94.6Very high1 Ų149 Ų490%0.00423%0.226CC..Hα-helixtrans-59.7-48.3175.8-179.2-84000111.4I40 G47 C48 F53 L54 F57 A68 L69 N74 Y75 Y76I40-Y72 HydrophobicContact CB-CE1 4.36Å; I40-Y72 HydrophobicContact CD1-CD1 3.73Å; I40-Y72 HydrophobicContact CD1-CD2 3.74Å; I40-Y72 HydrophobicContact CD1-CE1 3.75Å; I40-Y72 HydrophobicContact CD1-CE2 3.72Å; I40-Y72 HydrophobicContact CD1-CG 3.72Å; I40-Y72 HydrophobicContact CG1-CD1 3.82Å; I40-Y72 HydrophobicContact CG1-CE1 3.93Å; I40-Y72 HydrophobicContact CG1-CG 4.22Å; I40-Y72 HydrophobicContact CG2-CD1 4.12Å; I40-Y72 HydrophobicContact CG2-CE1 3.44Å; I40-Y72 VanDerWaalsContact CG2-CE1 3.44Å; G47-Y72 WeakPolarHBondContact CA-OH 3.23Å; C48-Y72 PolarHBondContact N-OH 3.42Å; C48-Y72 WeakPolarHBondContact O-CE2 3.2Å; C48-Y72 PolarHBondContact O-OH 3.07Å; F53-Y72 HydrophobicContact CD1-CE2 4.24Å; F53-Y72 HydrophobicContact CE1-CD2 4.32Å; F53-Y72 AromaticContact CE1-CE2 3.79Å; F53-Y72 HydrophobicContact CE1-CE2 3.79Å; L54-Y72 HydrophobicContact CD2-CD2 3.94Å; L54-Y72 HydrophobicContact CD2-CE2 3.6Å; F57-Y72 HydrophobicContact CD1-CD2 4.4Å; F57-Y72 AromaticContact CD2-CD2 4Å; F57-Y72 HydrophobicContact CD2-CD2 4Å; F57-Y72 HydrophobicContact CE1-CD2 4.27Å; F57-Y72 AromaticContact CE2-CD2 3.85Å; F57-Y72 HydrophobicContact CE2-CD2 3.85Å; F57-Y72 HydrophobicContact CE2-CE2 4.45Å; F57-Y72 HydrophobicContact CG-CD2 4.28Å; F57-Y72 AromaticContact CZ-CD2 3.99Å; F57-Y72 HydrophobicContact CZ-CD2 3.99Å; A68-Y72 PolarHBondContact O-N 3.25Å; L69-Y72 WeakPolarHBondContact O-CB 3.3Å; L69-Y72 PolarHBondContact O-N 3.2Å; L69-Y72 VanDerWaalsContact O-N 3.11Å; Y72-N74 PolarHBondContact O-N 2.91Å; Y72-Y75 WeakPolarHBondContact O-CB 3.31Å; Y72-Y75 PolarHBondContact O-N 2.9Å; Y72-Y76 HydrophobicContact CD1-CD2 4.19Å; Y72-Y76 HydrophobicContact CD1-CE2 4.44Å; Y72-Y76 HydrophobicContact CD2-CE2 4.4Å; Y72-Y76 AromaticContact CE1-CD2 3.76Å; Y72-Y76 HydrophobicContact CE1-CD2 3.76Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE2-CD2 4.45Å; Y72-Y76 AromaticContact CE2-CE2 3.78Å; Y72-Y76 HydrophobicContact CE2-CE2 3.78Å; Y72-Y76 AromaticContact CZ-CD2 3.93Å; Y72-Y76 AromaticContact CZ-CE2 3.44Å; Y72-Y76 VanDerWaalsContact CZ-CE2 3.44Å; Y72-Y76 PolarHBondContact O-N 3.32Å
73T94.1Very high94.3Very high27 Ų2746.5 Ų46.517%0.16622%0.222CC..Hα-helixtrans-59.8-47.6176.6-48.70000111L45 L69 Y75 Y76 I77L45-T73 HydrophobicContact CD1-CG2 4.03Å; L45-T73 VanDerWaalsContact CD1-OG1 3.3Å; L45-T73 WeakPolarHBondContact CD1-OG1 3.21Å; L45-T73 HydrophobicContact CD2-CG2 4.27Å; L69-T73 PolarHBondContact O-N 2.98Å; L69-T73 PolarHBondContact O-OG1 3.2Å; T73-Y75 VanDerWaalsContact C-N 3.28Å; T73-Y75 PolarHBondContact O-N 3.02Å; T73-Y76 PolarHBondContact O-N 3.35Å; T73-I77 HydrophobicContact CG2-CD1 3.65Å; T73-I77 HydrophobicContact CG2-CG1 4.32Å; T73-I77 WeakPolarHBondContact O-CG1 3.33Å; T73-I77 PolarHBondContact O-N 3.28Å
74N93Very high94Very high46 Ų4647.6 Ų47.625%0.24623%0.229CC..Hα-helixtrans-63.1-32178.6-74.6-11.8000113.5R70 L71 Y72 Y76 L78 G189 S190R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 PolarHBondContact O-N 2.92Å; R70-N74 PolarHBondContact O-ND2 2.7Å; L71-N74 PolarHBondContact O-N 2.99Å; Y72-N74 PolarHBondContact O-N 2.91Å; N74-Y76 VanDerWaalsContact C-N 3.33Å; N74-L78 WeakPolarHBondContact O-CB 3.31Å; N74-L78 PolarHBondContact O-N 3.49Å; N74-G189 WeakPolarHBondContact CB-O 3.46Å; N74-G189 PolarHBondContact ND2-O 3.04Å; N74-G189 VanDerWaalsContact ND2-O 3.17Å; N74-S190 WeakPolarHBondContact O-CB 3.48Å
75Y94.2Very high93.7Very high3 Ų344.4 Ų44.41%0.01221%0.212CC..Hα-helixtrans-62.5-39.5176.8171.9-81000112F53 F57 L71 Y72 T73 R79 E143 S190F53-Y75 HydrophobicContact CE2-CE1 4.37Å; F53-Y75 HydrophobicContact CZ-CD1 4.34Å; F53-Y75 AromaticContact CZ-CE1 3.62Å; F53-Y75 HydrophobicContact CZ-CE1 3.62Å; F53-Y75 AromaticContact CZ-CZ 3.69Å; F57-Y75 HydrophobicContact CE1-CD2 4.09Å; F57-Y75 AromaticContact CE1-CG 3.96Å; F57-Y75 HydrophobicContact CE1-CG 3.96Å; F57-Y75 HydrophobicContact CZ-CD1 4.22Å; F57-Y75 AromaticContact CZ-CD2 3.98Å; F57-Y75 HydrophobicContact CZ-CD2 3.98Å; F57-Y75 HydrophobicContact CZ-CE2 4.33Å; F57-Y75 AromaticContact CZ-CG 3.9Å; F57-Y75 HydrophobicContact CZ-CG 3.9Å; L71-Y75 WeakPolarHBondContact O-CB 3.33Å; L71-Y75 PolarHBondContact O-N 3.11Å; Y72-Y75 WeakPolarHBondContact O-CB 3.31Å; Y72-Y75 PolarHBondContact O-N 2.9Å; T73-Y75 VanDerWaalsContact C-N 3.28Å; T73-Y75 PolarHBondContact O-N 3.02Å; Y75-R79 VanDerWaalsContact CD1-NH1 3.33Å; Y75-R79 VanDerWaalsContact CE2-CZ 3.47Å; Y75-R79 PolarHBondContact O-NH1 2.93Å; Y75-R79 VanDerWaalsContact OH-CZ 3.29Å; Y75-R79 PolarHBondContact OH-NH2 3.43Å; Y75-E143 VanDerWaalsContact CE2-OE1 3.22Å; Y75-E143 WeakPolarHBondContact CE2-OE1 3.38Å; Y75-E143 PolarHBondContact OH-OE1 3.5Å; Y75-S190 WeakPolarHBondContact CA-O 3.42Å; Y75-S190 WeakPolarHBondContact CB-O 3.37Å; Y75-S190 VanDerWaalsContact CD2-O 3.27Å; Y75-S190 WeakPolarHBondContact CD2-O 3.46Å
76Y93Very high93.5Very high12 Ų1243.2 Ų43.25%0.04721%0.206CC..Hα-helixtrans-83.7-34.4176.2-75.7-66.5000113.2G47 C48 F53 Y72 T73 N74 L78 R79 L80 Y280 P281G47-Y76 VanDerWaalsContact CA-CZ 3.49Å; C48-Y76 PolarHBondContact N-OH 3.11Å; F53-Y76 HydrophobicContact CE1-CE2 4.23Å; F53-Y76 WeakPolarHBondContact CE1-OH 3.37Å; Y72-Y76 HydrophobicContact CD1-CD2 4.19Å; Y72-Y76 HydrophobicContact CD1-CE2 4.44Å; Y72-Y76 HydrophobicContact CD2-CE2 4.4Å; Y72-Y76 AromaticContact CE1-CD2 3.76Å; Y72-Y76 HydrophobicContact CE1-CD2 3.76Å; Y72-Y76 AromaticContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE1-CE2 3.79Å; Y72-Y76 HydrophobicContact CE2-CD2 4.45Å; Y72-Y76 AromaticContact CE2-CE2 3.78Å; Y72-Y76 HydrophobicContact CE2-CE2 3.78Å; Y72-Y76 AromaticContact CZ-CD2 3.93Å; Y72-Y76 AromaticContact CZ-CE2 3.44Å; Y72-Y76 VanDerWaalsContact CZ-CE2 3.44Å; Y72-Y76 PolarHBondContact O-N 3.32Å; T73-Y76 PolarHBondContact O-N 3.35Å; N74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-L78 VanDerWaalsContact C-N 3.28Å; Y76-L78 PolarHBondContact O-N 3.3Å; Y76-R79 WeakPolarHBondContact O-CB 3.09Å; Y76-R79 PolarHBondContact O-N 2.77Å; Y76-R79 VanDerWaalsContact O-N 3.11Å; Y76-L80 PolarHBondContact O-N 3.13Å; Y76-L80 VanDerWaalsContact O-N 3.08Å; Y76-Y280 VanDerWaalsContact CE1-CB 3.44Å; Y76-Y280 HydrophobicContact CE1-CG 4.47Å; Y76-P281 HydrophobicContact CD1-CB 3.93Å; Y76-P281 HydrophobicContact CD1-CG 4.15Å; Y76-P281 HydrophobicContact CG-CB 4.33Å
77I90.9Very high93.2Very high73 Ų7344.3 Ų44.337%0.37421%0.208SC..Hα-helixtrans-58.3-42171.1-71.9168.9000110.8T73 R79 L80 R81T73-I77 HydrophobicContact CG2-CD1 3.65Å; T73-I77 HydrophobicContact CG2-CG1 4.32Å; T73-I77 WeakPolarHBondContact O-CG1 3.33Å; T73-I77 PolarHBondContact O-N 3.28Å; I77-R79 VanDerWaalsContact C-N 3.27Å; I77-R79 PolarHBondContact O-N 2.89Å; I77-L80 PolarHBondContact O-N 2.8Å; I77-R81 VanDerWaalsContact O-CB 3.26Å; I77-R81 WeakPolarHBondContact O-CB 3.45Å; I77-R81 PolarHBondContact O-N 2.89Å
78L90.2Very high93Very high0 Ų044.4 Ų44.40%021%0.209CC..Hα-helixtrans-57.4-42.6176.3-178.282.4000111.5N74 Y76 R81 Y82 F86 H185 F186 S190N74-L78 WeakPolarHBondContact O-CB 3.31Å; N74-L78 PolarHBondContact O-N 3.49Å; Y76-L78 VanDerWaalsContact C-N 3.28Å; Y76-L78 PolarHBondContact O-N 3.3Å; L78-R81 PolarHBondContact O-N 3.06Å; L78-Y82 HydrophobicContact CD1-CD2 3.48Å; L78-Y82 VanDerWaalsContact CD1-CD2 3.48Å; L78-Y82 HydrophobicContact CD1-CE2 3.39Å; L78-Y82 HydrophobicContact CG-CD2 4.02Å; L78-Y82 HydrophobicContact CG-CE2 4.39Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.36Å; L78-Y82 VanDerWaalsContact O-N 3.1Å; L78-F86 HydrophobicContact CD2-CE1 4.31Å; L78-F86 HydrophobicContact CD2-CE2 3.79Å; L78-F86 HydrophobicContact CD2-CZ 3.38Å; L78-F86 HydrophobicContact CG-CE2 3.72Å; L78-F86 HydrophobicContact CG-CZ 3.87Å; L78-H185 HydrophobicContact CD1-CB 4.19Å; L78-H185 WeakPolarHBondContact CD1-ND1 3.48Å; L78-F186 HydrophobicContact CD2-CB 4.45Å; L78-F186 HydrophobicContact CD2-CD2 3.76Å; L78-S190 WeakPolarHBondContact CD2-OG 3.34Å
79R91.8Very high93Very high18 Ų1844.6 Ų44.67%0.06821%0.21CC..Hα-helixtrans-65-42.9-179.6-73.5169.3165.367.45112.2Y75 Y76 I77 F86 E143Y75-R79 VanDerWaalsContact CD1-NH1 3.33Å; Y75-R79 VanDerWaalsContact CE2-CZ 3.47Å; Y75-R79 PolarHBondContact O-NH1 2.93Å; Y75-R79 VanDerWaalsContact OH-CZ 3.29Å; Y75-R79 PolarHBondContact OH-NH2 3.43Å; Y76-R79 WeakPolarHBondContact O-CB 3.09Å; Y76-R79 PolarHBondContact O-N 2.77Å; Y76-R79 VanDerWaalsContact O-N 3.11Å; I77-R79 VanDerWaalsContact C-N 3.27Å; I77-R79 PolarHBondContact O-N 2.89Å; R79-F86 HydrophobicContact CB-CB 4.04Å; R79-F86 HydrophobicContact CB-CD2 4.4Å; R79-F86 HydrophobicContact CB-CG 4.08Å; R79-F86 HydrophobicContact CG-CB 3.93Å; R79-F86 HydrophobicContact CG-CD1 3.57Å; R79-F86 HydrophobicContact CG-CD2 4.16Å; R79-F86 HydrophobicContact CG-CE1 4.08Å; R79-F86 HydrophobicContact CG-CG 3.62Å; R79-E143 IonicContact CZ-OE1 2.73Å; R79-E143 IonicContact NH2-OE1 2.88Å; R79-E143 PolarHBondContact NH2-OE1 3.28Å
80L89.8Confident93Very high95 Ų9547.1 Ų47.150%0.49722%0.218SC..Hα-helixtrans-67.5-36.6174.6-70.8173.1000112.8Y76 I77 P281 Y282Y76-L80 PolarHBondContact O-N 3.13Å; Y76-L80 VanDerWaalsContact O-N 3.08Å; I77-L80 PolarHBondContact O-N 2.8Å; L80-P281 HydrophobicContact CD1-CG 3.77Å; L80-P281 HydrophobicContact CD2-CG 3.6Å; L80-P281 HydrophobicContact CG-CG 3.51Å; L80-Y282 HydrophobicContact CD2-CD1 4.25Å; L80-Y282 HydrophobicContact CD2-CE1 3.68Å
81R89.7Confident93.1Very high154 Ų15439.9 Ų39.958%0.58119%0.19SC*.Hα-helixtrans-73.2-27.9-177.9179172.4-96.8-179-6.5113I77 L78 P83I77-R81 VanDerWaalsContact O-CB 3.26Å; I77-R81 WeakPolarHBondContact O-CB 3.45Å; I77-R81 PolarHBondContact O-N 2.89Å; L78-R81 PolarHBondContact O-N 3.06Å; R81-P83 VanDerWaalsContact C-CD 3.45Å; R81-P83 WeakPolarHBondContact O-CD 3.39Å
82Y90.8Very high93.2Very high29 Ų2942 Ų4211%0.11421%0.206CC..  trans-126.763.2-176.1-54.3-55.5000111.8L78 D84 I85 F86 R182L78-Y82 HydrophobicContact CD1-CD2 3.48Å; L78-Y82 VanDerWaalsContact CD1-CD2 3.48Å; L78-Y82 HydrophobicContact CD1-CE2 3.39Å; L78-Y82 HydrophobicContact CG-CD2 4.02Å; L78-Y82 HydrophobicContact CG-CE2 4.39Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.36Å; L78-Y82 VanDerWaalsContact O-N 3.1Å; Y82-D84 PolarHBondContact O-N 2.67Å; Y82-I85 WeakPolarHBondContact O-CB 3.29Å; Y82-I85 PolarHBondContact O-N 3.45Å; Y82-F86 HydrophobicContact CD2-CE2 4.42Å; Y82-F86 VanDerWaalsContact O-CD2 3.29Å; Y82-F86 WeakPolarHBondContact O-CD2 3.36Å; Y82-F86 PolarHBondContact O-N 2.84Å; Y82-R182 HydrophobicContact CD1-CG 3.92Å; Y82-R182 HydrophobicContact CD2-CG 4.15Å; Y82-R182 HydrophobicContact CE1-CG 3.63Å; Y82-R182 HydrophobicContact CE2-CB 4.48Å; Y82-R182 HydrophobicContact CE2-CG 3.88Å; Y82-R182 HydrophobicContact CG-CG 4.16Å
83P91.8Very high93.2Very high61 Ų6145 Ų4540%0.39622%0.221SC..Hα-helixtrans-61.2-29.7-177.626.4-34.8000112.2R81 I85 F86 H87R81-P83 VanDerWaalsContact C-CD 3.45Å; R81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-I85 PolarHBondContact O-N 2.67Å; P83-I85 VanDerWaalsContact O-N 3.11Å; P83-F86 PolarHBondContact O-N 2.94Å; P83-H87 WeakPolarHBondContact O-CA 3.39Å; P83-H87 WeakPolarHBondContact O-CB 3.41Å; P83-H87 PolarHBondContact O-N 3.11Å
84D91.9Very high93.4Very high52 Ų5243.7 Ų43.728%0.27821%0.213SC..Hα-helixtrans-66.9-7.5174.366.9-56000114.6Y82 N132 R136 W178 R182Y82-D84 PolarHBondContact O-N 2.67Å; D84-N132 PolarHBondContact O-ND2 3.5Å; D84-N132 VanDerWaalsContact O-ND2 3.15Å; D84-N132 PolarHBondContact OD2-ND2 3.04Å; D84-R136 PolarHBondContact O-NH1 3.22Å; D84-R136 PolarHBondContact O-NH2 2.8Å; D84-W178 WeakPolarHBondContact OD2-CH2 3.21Å; D84-W178 WeakPolarHBondContact OD2-CZ2 3.29Å; D84-R182 IonicContact OD1-CZ 3.64Å; D84-R182 IonicContact OD1-NH1 3Å; D84-R182 PolarHBondContact OD1-NH1 3.2Å; D84-R182 IonicContact OD1-NH2 2.86Å; D84-R182 PolarHBondContact OD1-NH2 3.45Å; D84-R182 IonicContact OD2-CZ 2.58Å; D84-R182 VanDerWaalsContact OD2-CZ 3.25Å; D84-R182 IonicContact OD2-NH1 3.92Å; D84-R182 PolarHBondContact OD2-NH1 3.49Å; D84-R182 IonicContact OD2-NH2 3.4Å; D84-R182 PolarHBondContact OD2-NH2 3.2Å
85I91.9Very high93.6Very high0 Ų044.3 Ų44.30%022%0.215CC..Hα-helixtrans-103.9-50.5167.9-60-59.8000110.3Y82 P83 N132 F135 R136Y82-I85 WeakPolarHBondContact O-CB 3.29Å; Y82-I85 PolarHBondContact O-N 3.45Å; P83-I85 PolarHBondContact O-N 2.67Å; P83-I85 VanDerWaalsContact O-N 3.11Å; I85-N132 HydrophobicContact CD1-CB 3.58Å; I85-N132 WeakPolarHBondContact CD1-OD1 3.2Å; I85-F135 HydrophobicContact CD1-CB 3.97Å; I85-F135 HydrophobicContact CD1-CD1 4.18Å; I85-F135 HydrophobicContact CD1-CG 4.22Å; I85-F135 HydrophobicContact CG1-CD1 4.27Å; I85-F135 HydrophobicContact CG2-CD1 3.6Å; I85-F135 HydrophobicContact CG2-CE1 4.08Å; I85-R136 HydrophobicContact CG2-CG 4.1Å; I85-R136 WeakPolarHBondContact O-CG 3.48Å; I85-R136 PolarHBondContact O-NE 2.89Å
86F92.8Very high93.8Very high6 Ų647 Ų473%0.02623%0.227CC..Hα-helixtrans-96.4-13.9-163.9-64.8-78.8000114.5L78 R79 Y82 P83 D88 L89 F135 V139 N278L78-F86 HydrophobicContact CD2-CE1 4.31Å; L78-F86 HydrophobicContact CD2-CE2 3.79Å; L78-F86 HydrophobicContact CD2-CZ 3.38Å; L78-F86 HydrophobicContact CG-CE2 3.72Å; L78-F86 HydrophobicContact CG-CZ 3.87Å; R79-F86 HydrophobicContact CB-CB 4.04Å; R79-F86 HydrophobicContact CB-CD2 4.4Å; R79-F86 HydrophobicContact CB-CG 4.08Å; R79-F86 HydrophobicContact CG-CB 3.93Å; R79-F86 HydrophobicContact CG-CD1 3.57Å; R79-F86 HydrophobicContact CG-CD2 4.16Å; R79-F86 HydrophobicContact CG-CE1 4.08Å; R79-F86 HydrophobicContact CG-CG 3.62Å; Y82-F86 HydrophobicContact CD2-CE2 4.42Å; Y82-F86 VanDerWaalsContact O-CD2 3.29Å; Y82-F86 WeakPolarHBondContact O-CD2 3.36Å; Y82-F86 PolarHBondContact O-N 2.84Å; P83-F86 PolarHBondContact O-N 2.94Å; F86-D88 PolarHBondContact O-N 2.92Å; F86-L89 HydrophobicContact CD1-CD2 3.97Å; F86-L89 HydrophobicContact CE1-CD2 4.4Å; F86-F135 HydrophobicContact CZ-CE1 4.36Å; F86-V139 HydrophobicContact CE1-CG1 3.95Å; F86-V139 HydrophobicContact CE1-CG2 4.26Å; F86-V139 HydrophobicContact CZ-CG2 4.37Å; F86-N278 PolarHBondContact O-OD1 3.37Å
87H91.5Very high94Very high126 Ų12646.4 Ų46.458%0.58323%0.225SC*.THydrogen-bonded Turntrans-69.1130.1168.9-175.275.1000109.6P83 L89P83-H87 WeakPolarHBondContact O-CA 3.39Å; P83-H87 WeakPolarHBondContact O-CB 3.41Å; P83-H87 PolarHBondContact O-N 3.11Å; H87-L89 PolarHBondContact O-N 3.21Å
88D93.7Very high94.4Very high56 Ų5643.1 Ų43.130%0.29921%0.208SC..THydrogen-bonded Turntrans49.934.7-176-161.438.6000113.4F86 R90 L93F86-D88 PolarHBondContact O-N 2.92Å; D88-R90 PolarHBondContact O-N 3.28Å; D88-R90 VanDerWaalsContact OD1-CD 3.25Å; D88-R90 WeakPolarHBondContact OD1-CD 3.35Å; D88-R90 IonicContact OD1-CZ 2.73Å; D88-R90 IonicContact OD1-NE 2.67Å; D88-R90 PolarHBondContact OD1-NE 2.78Å; D88-R90 IonicContact OD2-CZ 3.96Å; D88-R90 IonicContact OD2-NE 2.88Å; D88-R90 PolarHBondContact OD2-NE 3.33Å; D88-R90 IonicContact OD2-NH2 3.2Å; D88-R90 PolarHBondContact OD2-NH2 2.96Å; D88-L93 WeakPolarHBondContact O-CD2 3.44Å
89L96.4Very high94.7Very high4 Ų448.3 Ų48.32%0.02123%0.232CC..  trans-67.5107.1179.2179.473.3000110F86 H87 R136 V139 L140 N278F86-L89 HydrophobicContact CD1-CD2 3.97Å; F86-L89 HydrophobicContact CE1-CD2 4.4Å; H87-L89 PolarHBondContact O-N 3.21Å; L89-R136 HydrophobicContact CD1-CB 3.6Å; L89-R136 HydrophobicContact CD1-CG 3.56Å; L89-V139 HydrophobicContact CD2-CB 4.31Å; L89-V139 HydrophobicContact CD2-CG1 3.61Å; L89-L140 HydrophobicContact CD1-CD1 4.19Å; L89-L140 HydrophobicContact CD1-CD2 4.27Å; L89-L140 HydrophobicContact CD1-CG 3.98Å; L89-L140 HydrophobicContact CD2-CD2 4.4Å; L89-L140 HydrophobicContact CG-CD2 3.91Å; L89-L140 HydrophobicContact CG-CG 4.16Å; L89-N278 PolarHBondContact N-ND2 2.89Å; L89-N278 PolarHBondContact O-ND2 3.04Å; L89-N278 PolarHBondContact O-OD1 2.82Å
90R97.5Very high95Very high71 Ų7149 Ų4927%0.26824%0.24SC..  trans-152.5155.1179.162.4-159.4178.2119.8-9.4112.2D88 S92 L93 E271 F274D88-R90 PolarHBondContact O-N 3.28Å; D88-R90 VanDerWaalsContact OD1-CD 3.25Å; D88-R90 WeakPolarHBondContact OD1-CD 3.35Å; D88-R90 IonicContact OD1-CZ 2.73Å; D88-R90 IonicContact OD1-NE 2.67Å; D88-R90 PolarHBondContact OD1-NE 2.78Å; D88-R90 IonicContact OD2-CZ 3.96Å; D88-R90 IonicContact OD2-NE 2.88Å; D88-R90 PolarHBondContact OD2-NE 3.33Å; D88-R90 IonicContact OD2-NH2 3.2Å; D88-R90 PolarHBondContact OD2-NH2 2.96Å; R90-S92 PolarHBondContact O-N 3.02Å; R90-L93 HydrophobicContact CG-CB 4.2Å; R90-L93 WeakPolarHBondContact O-CB 3.44Å; R90-L93 PolarHBondContact O-N 3.04Å; R90-E271 WeakPolarHBondContact CD-OE1 3.48Å; R90-E271 WeakPolarHBondContact CG-OE1 3.25Å; R90-E271 IonicContact CZ-OE1 3.06Å; R90-E271 IonicContact NE-OE1 3.06Å; R90-E271 IonicContact NH1-OE1 2.78Å; R90-E271 PolarHBondContact NH1-OE1 3.47Å; R90-F274 HydrophobicContact CB-CB 4.04Å
91P98.2Very high95.4Very high0 Ų044.6 Ų44.60%022%0.217CC..G310 helixtrans-48.4-48.2-179.1-32.637.3000115.2L93 V94 E95 L140 L267 L268 E271 F274P91-L93 PolarHBondContact O-N 3.47Å; P91-V94 CarbonylContact O-C 3.57Å; P91-V94 PolarHBondContact O-N 2.98Å; P91-V94 VanDerWaalsContact O-N 3.16Å; P91-E95 PolarHBondContact O-N 3.36Å; P91-L140 HydrophobicContact CG-CD2 4.44Å; P91-L267 HydrophobicContact CB-CG 4.1Å; P91-L267 HydrophobicContact CG-CD1 4.31Å; P91-L267 HydrophobicContact CG-CG 4.05Å; P91-L267 VanDerWaalsContact CG-O 3.22Å; P91-L267 WeakPolarHBondContact CG-O 3.29Å; P91-L268 HydrophobicContact CB-CD2 3.9Å; P91-E271 VanDerWaalsContact CD-OE2 3.26Å; P91-E271 WeakPolarHBondContact CD-OE2 3.45Å; P91-F274 VanDerWaalsContact CD-CD2 3.41Å; P91-F274 HydrophobicContact CG-CD2 3.66Å; P91-F274 HydrophobicContact CG-CE2 3.94Å
92S98Very high95.7Very high49 Ų4937.2 Ų37.234%0.34319%0.189SC..G310 helixtrans-61-27.4-176.7700000113.7R90 V94 E271R90-S92 PolarHBondContact O-N 3.02Å; S92-V94 PolarHBondContact O-N 3.42Å; S92-E271 WeakPolarHBondContact CB-OE1 3.09Å; S92-E271 PolarHBondContact N-OE2 3.38Å; S92-E271 PolarHBondContact OG-OE1 2.94Å; S92-E271 PolarHBondContact OG-OE2 3.27Å
93L96.9Very high96.1Very high62 Ų6235.9 Ų35.933%0.32518%0.184SC..G310 helixtrans-66.7-25.1-179.7-174.761.9000113.1D88 R90 P91D88-L93 WeakPolarHBondContact O-CD2 3.44Å; R90-L93 HydrophobicContact CG-CB 4.2Å; R90-L93 WeakPolarHBondContact O-CB 3.44Å; R90-L93 PolarHBondContact O-N 3.04Å; P91-L93 PolarHBondContact O-N 3.47Å
94V97.5Very high96.4Very high0 Ų033.4 Ų33.40%017%0.168CC..G310 helixtrans-131.828.8-177.5-65.70000112P91 S92 H96 V97 F98 D133 R136 A137 L140P91-V94 CarbonylContact O-C 3.57Å; P91-V94 PolarHBondContact O-N 2.98Å; P91-V94 VanDerWaalsContact O-N 3.16Å; S92-V94 PolarHBondContact O-N 3.42Å; V94-H96 PolarHBondContact O-N 3.17Å; V94-V97 HydrophobicContact CB-CB 4.44Å; V94-V97 HydrophobicContact CB-CG2 4.03Å; V94-V97 VanDerWaalsContact O-CB 3.32Å; V94-V97 WeakPolarHBondContact O-CB 3.31Å; V94-V97 PolarHBondContact O-N 3.22Å; V94-F98 HydrophobicContact CG2-CE2 3.74Å; V94-F98 HydrophobicContact CG2-CZ 3.87Å; V94-D133 HydrophobicContact CG1-CB 4.01Å; V94-R136 HydrophobicContact CG1-CB 3.92Å; V94-R136 HydrophobicContact CG2-CB 4.41Å; V94-A137 HydrophobicContact CG2-CB 4.13Å; V94-L140 HydrophobicContact CG2-CD1 3.45Å; V94-L140 VanDerWaalsContact CG2-CD1 3.45Å
95E97.9Very high96.6Very high60 Ų6032.7 Ų32.728%0.2816%0.161SC..Hα-helixtrans-56.5-38.3-179.1-172.2-177.517000112.1P91 V97 F98 Q99 L268P91-E95 PolarHBondContact O-N 3.36Å; E95-V97 PolarHBondContact O-N 3.31Å; E95-F98 PolarHBondContact O-N 2.74Å; E95-Q99 HydrophobicContact CG-CG 4.06Å; E95-Q99 WeakPolarHBondContact O-CG 3.44Å; E95-Q99 PolarHBondContact O-N 3.22Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; E95-L268 HydrophobicContact CG-CD1 4.41Å; E95-L268 HydrophobicContact CG-CD2 4.24Å
96H97.5Very high96.9Very high59 Ų5932.8 Ų32.827%0.27316%0.162SC..Hα-helixtrans-56.9-32175.656.8-76000113.2V94 S100 W129 D133V94-H96 PolarHBondContact O-N 3.17Å; H96-S100 WeakPolarHBondContact O-CB 3.15Å; H96-S100 PolarHBondContact O-N 3.46Å; H96-S100 PolarHBondContact O-OG 3.16Å; H96-W129 AromaticContact CD2-CD1 3.68Å; H96-W129 AromaticContact CD2-CD2 3.51Å; H96-W129 AromaticContact CD2-CE2 3.6Å; H96-W129 AromaticContact CD2-CE3 3.99Å; H96-W129 AromaticContact CD2-CG 3.65Å; H96-W129 AromaticContact CD2-NE1 3.7Å; H96-W129 AromaticContact NE2-CD1 3.96Å; H96-W129 AromaticContact NE2-CG 3.84Å; H96-D133 IonicContact CE1-OD2 3.54Å; H96-D133 IonicContact NE2-OD2 2.94Å; H96-D133 PolarHBondContact NE2-OD2 2.96Å
97V98.3Very high97Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-71.1-36.5176.7-172.90000111V94 E95 S100 G101 V102 V103 W129 D133 I134 A137V94-V97 HydrophobicContact CB-CB 4.44Å; V94-V97 HydrophobicContact CB-CG2 4.03Å; V94-V97 VanDerWaalsContact O-CB 3.32Å; V94-V97 WeakPolarHBondContact O-CB 3.31Å; V94-V97 PolarHBondContact O-N 3.22Å; E95-V97 PolarHBondContact O-N 3.31Å; V97-S100 PolarHBondContact O-OG 3.39Å; V97-G101 PolarHBondContact O-N 2.91Å; V97-V102 HydrophobicContact CG1-CB 3.73Å; V97-V102 HydrophobicContact CG1-CG1 3.95Å; V97-V102 HydrophobicContact CG1-CG2 4.38Å; V97-V102 PolarHBondContact O-N 3.48Å; V97-V103 HydrophobicContact CG1-CG1 4.42Å; V97-W129 HydrophobicContact CG2-CE3 4.29Å; V97-D133 HydrophobicContact CG2-CB 3.93Å; V97-I134 HydrophobicContact CG1-CD1 3.88Å; V97-I134 HydrophobicContact CG2-CD1 4.22Å; V97-A137 HydrophobicContact CB-CB 3.99Å; V97-A137 HydrophobicContact CG1-CB 3.57Å
98F98.2Very high97.2Very high4 Ų434.1 Ų34.12%0.01817%0.174CC..Hα-helixtrans-76.5-40.7176.6-53.5-53.2000111.8V94 E95 S100 G101 V103 A137 L140 V141 I264 L267V94-F98 HydrophobicContact CG2-CE2 3.74Å; V94-F98 HydrophobicContact CG2-CZ 3.87Å; E95-F98 PolarHBondContact O-N 2.74Å; F98-S100 VanDerWaalsContact C-N 3.29Å; F98-S100 PolarHBondContact O-N 3Å; F98-G101 WeakPolarHBondContact O-CA 3.28Å; F98-G101 PolarHBondContact O-N 3.49Å; F98-V103 HydrophobicContact CD1-CG1 4.26Å; F98-V103 HydrophobicContact CE1-CG1 4.04Å; F98-A137 HydrophobicContact CD1-CB 4.5Å; F98-A137 HydrophobicContact CE1-CB 3.7Å; F98-A137 HydrophobicContact CZ-CB 3.94Å; F98-L140 HydrophobicContact CE2-CD1 4.28Å; F98-L140 HydrophobicContact CZ-CB 4.08Å; F98-L140 HydrophobicContact CZ-CD1 3.97Å; F98-V141 HydrophobicContact CE1-CG2 3.91Å; F98-I264 HydrophobicContact CB-CD1 4.45Å; F98-I264 HydrophobicContact CB-CG1 4.01Å; F98-L267 HydrophobicContact CD1-CD2 3.98Å; F98-L267 HydrophobicContact CD2-CD2 3.68Å; F98-L267 HydrophobicContact CE1-CD2 3.7Å; F98-L267 HydrophobicContact CE2-CD2 3.39Å; F98-L267 HydrophobicContact CE2-CG 4.45Å; F98-L267 HydrophobicContact CG-CD2 3.98Å; F98-L267 HydrophobicContact CZ-CD2 3.41Å; F98-L267 VanDerWaalsContact CZ-CD2 3.41Å
99Q97.8Very high97.3Very high109 Ų10934.1 Ų34.151%0.50918%0.177SC..Hα-helixtrans-63.8-31.8176.1-71.9-179.3-7.400112.7E95 P259 I264E95-Q99 HydrophobicContact CG-CG 4.06Å; E95-Q99 WeakPolarHBondContact O-CG 3.44Å; E95-Q99 PolarHBondContact O-N 3.22Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; Q99-P259 WeakPolarHBondContact O-CG 3.41Å; Q99-I264 HydrophobicContact CG-CD1 4.33Å
100S97.2Very high97.3Very high33 Ų3334.6 Ų34.623%0.23118%0.18CC..THydrogen-bonded Turntrans-76.6-13.4170.355.20000113.2H96 V97 F98 V102 L123 W129H96-S100 WeakPolarHBondContact O-CB 3.15Å; H96-S100 PolarHBondContact O-N 3.46Å; H96-S100 PolarHBondContact O-OG 3.16Å; V97-S100 PolarHBondContact O-OG 3.39Å; F98-S100 VanDerWaalsContact C-N 3.29Å; F98-S100 PolarHBondContact O-N 3Å; S100-V102 VanDerWaalsContact C-N 3.3Å; S100-V102 PolarHBondContact O-N 2.87Å; S100-V102 WeakPolarHBondContact OG-CG2 3.37Å; S100-L123 WeakPolarHBondContact O-CD1 3.49Å; S100-W129 WeakPolarHBondContact OG-CH2 3.36Å; S100-W129 WeakPolarHBondContact OG-CZ3 3.41Å
101G97.1Very high97.2Very high1 Ų137.1 Ų37.11%0.0121%0.209CC..THydrogen-bonded Turntrans68.327.9-178.500000113.2V97 F98 V103 R120V97-G101 PolarHBondContact O-N 2.91Å; F98-G101 WeakPolarHBondContact O-CA 3.28Å; F98-G101 PolarHBondContact O-N 3.49Å; G101-V103 VanDerWaalsContact C-N 3.25Å; G101-V103 PolarHBondContact O-N 3.02Å; G101-R120 VanDerWaalsContact O-CZ 3.25Å; G101-R120 PolarHBondContact O-NE 3.32Å; G101-R120 PolarHBondContact O-NH2 3.23Å
102V97.9Very high97.1Very high0 Ų041.5 Ų41.50%023%0.229CC..SBendtrans-61-37.3173.71670000110.9V97 S100 F119 R120 L123 W124 W129 I134V97-V102 HydrophobicContact CG1-CB 3.73Å; V97-V102 HydrophobicContact CG1-CG1 3.95Å; V97-V102 HydrophobicContact CG1-CG2 4.38Å; V97-V102 PolarHBondContact O-N 3.48Å; S100-V102 VanDerWaalsContact C-N 3.3Å; S100-V102 PolarHBondContact O-N 2.87Å; S100-V102 WeakPolarHBondContact OG-CG2 3.37Å; V102-F119 HydrophobicContact CG1-CD2 4.27Å; V102-F119 HydrophobicContact CG1-CE2 3.86Å; V102-F119 CarbonylContact O-C 3.33Å; V102-F119 WeakPolarHBondContact O-CA 3.4Å; V102-F119 WeakPolarHBondContact O-CD2 3.33Å; V102-R120 PolarHBondContact O-N 3.02Å; V102-L123 HydrophobicContact CG2-CB 3.74Å; V102-W124 HydrophobicContact CG1-CB 4.46Å; V102-W124 HydrophobicContact CG2-CB 4.03Å; V102-W129 HydrophobicContact CG2-CZ3 4.13Å; V102-I134 HydrophobicContact CG1-CD1 4.16Å
103V98.2Very high97Very high1 Ų140.1 Ų40.11%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-146.5138.7175.968.50000111.2V97 F98 G101 I117 Y118 F119 A137 V141V97-V103 HydrophobicContact CG1-CG1 4.42Å; F98-V103 HydrophobicContact CD1-CG1 4.26Å; F98-V103 HydrophobicContact CE1-CG1 4.04Å; G101-V103 VanDerWaalsContact C-N 3.25Å; G101-V103 PolarHBondContact O-N 3.02Å; V103-I117 HydrophobicContact CG2-CG2 4.04Å; V103-Y118 VanDerWaalsContact CA-O 3.29Å; V103-Y118 WeakPolarHBondContact CA-O 3.38Å; V103-F119 HydrophobicContact CB-CD2 4Å; V103-F119 HydrophobicContact CG2-CB 4.41Å; V103-F119 HydrophobicContact CG2-CD2 4.15Å; V103-A137 HydrophobicContact CG1-CB 3.61Å; V103-V141 HydrophobicContact CG1-CG2 4.04Å; V103-V141 HydrophobicContact CG2-CG2 4.13Å
104C97.9Very high97Very high8 Ų839.2 Ų39.25%0.05422%0.215CC..EExtended strand (participates in β ladder)trans-155.9164.7171.369.20000111.7Y118 V258 Y263C104-Y118 PolarHBondContact N-O 3.41Å; C104-Y118 PolarHBondContact O-N 3.12Å; C104-V258 WeakPolarHBondContact SG-CG1 3.4Å; C104-Y263 HydrophobicContact CB-CD1 3.74Å; C104-Y263 HydrophobicContact CB-CE1 3.43Å; C104-Y263 VanDerWaalsContact CB-CE1 3.43Å
105R96.8Very high97Very high37 Ų3739.2 Ų39.214%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-82.8134.7161.4179.6-173.562.870-8.5109.3V141 E144 L145 Y263R105-V141 HydrophobicContact CB-CG1 4.36Å; R105-E144 IonicContact NE-OE1 3.83Å; R105-E144 PolarHBondContact NE-OE1 3.1Å; R105-E144 IonicContact NE-OE2 3.54Å; R105-E144 PolarHBondContact NE-OE2 3.24Å; R105-E144 IonicContact NH2-OE1 3.5Å; R105-L145 HydrophobicContact CG-CD1 3.75Å; R105-Y263 HydrophobicContact CB-CE2 3.73Å; R105-Y263 PolarHBondContact N-OH 3.46Å
106L97.2Very high97.1Very high2 Ų236.4 Ų36.41%0.0120%0.201CC..  trans-79.6149.6171.6-61.6-177.7000110.9Q108 L116 Y118 L160 L244 P246 V258L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 2.8Å; L106-L116 HydrophobicContact CB-CB 4.1Å; L106-L116 HydrophobicContact CD1-CB 3.95Å; L106-L116 HydrophobicContact CD1-CD2 4.49Å; L106-L116 HydrophobicContact CG-CB 4.29Å; L106-L116 PolarHBondContact N-O 3.48Å; L106-Y118 HydrophobicContact CD2-CD1 4.2Å; L106-Y118 HydrophobicContact CD2-CG 4.38Å; L106-L160 HydrophobicContact CD1-CD1 3.95Å; L106-L244 VanDerWaalsContact CD1-O 3.28Å; L106-L244 WeakPolarHBondContact CD1-O 3.3Å; L106-P246 HydrophobicContact CD2-CG 3.97Å; L106-V258 HydrophobicContact CD2-CG2 3.92Å
107P95.3Very high97.1Very high66 Ų6633.8 Ų33.843%0.42919%0.189SC..SBendtrans-74.4-16.9-165.326.6-33.6000114.5W149 P256P107-W149 VanDerWaalsContact O-CH2 3.25Å; P107-W149 WeakPolarHBondContact O-CH2 3.29Å; P107-W149 WeakPolarHBondContact O-CZ2 3.24Å; P107-P256 HydrophobicContact CG-CB 4.29Å; P107-P256 HydrophobicContact CG-CG 3.71Å
108Q95.5Very high97.1Very high94 Ų9433.8 Ų33.844%0.43919%0.189SC..SBendtrans-123.6136.9-178.4-63.9-176.914.900110.6L106 L116 L244L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 2.8Å; Q108-L116 VanDerWaalsContact O-CD1 3.3Å; Q108-L116 WeakPolarHBondContact O-CD1 3.5Å; Q108-L244 HydrophobicContact CB-CD2 3.72Å
109P96.8Very high97.1Very high57 Ų5734.9 Ų34.937%0.3719%0.194SC..  trans-73.1166.6166.533.9-34.7000110.6R114 W149 L244P109-R114 CarbonylContact C-O 3.5Å; P109-R114 VanDerWaalsContact CA-O 3.25Å; P109-R114 WeakPolarHBondContact CA-O 3.38Å; P109-R114 WeakPolarHBondContact CB-O 3.38Å; P109-W149 HydrophobicContact CB-CZ3 4.47Å; P109-L244 WeakPolarHBondContact O-CD2 3.37Å
110D96.9Very high97.1Very high13 Ų1330.8 Ų30.87%0.0717%0.174CC..  trans-76.2-179.5170.774.43.5000113.3E112 G113 R114 L116 I158 L244D110-E112 PolarHBondContact O-N 3.15Å; D110-E112 VanDerWaalsContact O-N 3.1Å; D110-E112 WeakPolarHBondContact OD1-CA 3.27Å; D110-E112 PolarHBondContact OD1-N 2.88Å; D110-G113 PolarHBondContact O-N 2.8Å; D110-G113 PolarHBondContact OD1-N 2.98Å; D110-G113 VanDerWaalsContact OD1-N 3.17Å; D110-R114 PolarHBondContact N-O 3.34Å; D110-R114 WeakPolarHBondContact OD1-CB 3.43Å; D110-R114 PolarHBondContact OD1-N 3.34Å; D110-R114 IonicContact OD1-NE 3.52Å; D110-R114 PolarHBondContact OD1-NE 3.37Å; D110-R114 IonicContact OD2-CZ 2.76Å; D110-R114 IonicContact OD2-NE 3.63Å; D110-R114 PolarHBondContact OD2-NE 3.4Å; D110-R114 IonicContact OD2-NH2 3.15Å; D110-R114 PolarHBondContact OD2-NH2 3.03Å; D110-L116 HydrophobicContact CB-CD1 4.32Å; D110-I158 WeakPolarHBondContact OD2-CD1 3.47Å; D110-L244 HydrophobicContact CB-CD1 3.78Å
111S95.1Very high97Very high125 Ų12529.3 Ų29.387%0.87416%0.164SC*.THydrogen-bonded Turntrans-61.9-16.9-179.956.10000114.4
112E95.2Very high97Very high92 Ų9230 Ų3043%0.4317%0.171SC..THydrogen-bonded Turntrans-96.25.3174.8-71.9-175.1-125.100112.9K17 D110 R114 H155K17-E112 PolarHBondContact NZ-O 3.39Å; D110-E112 PolarHBondContact O-N 3.15Å; D110-E112 VanDerWaalsContact O-N 3.1Å; D110-E112 WeakPolarHBondContact OD1-CA 3.27Å; D110-E112 PolarHBondContact OD1-N 2.88Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 HydrophobicContact CB-CG 4.2Å; E112-R114 IonicContact OE1-CZ 2.73Å; E112-R114 IonicContact OE1-NH1 3.48Å; E112-R114 PolarHBondContact OE1-NH1 2.79Å; E112-R114 IonicContact OE1-NH2 2.71Å; E112-R114 PolarHBondContact OE1-NH2 2.96Å; E112-R114 IonicContact OE2-CZ 3.2Å; E112-R114 IonicContact OE2-NE 3.52Å; E112-R114 IonicContact OE2-NH1 3.25Å; E112-R114 PolarHBondContact OE2-NH1 2.86Å; E112-R114 IonicContact OE2-NH2 2.95Å; E112-H155 PolarHBondContact O-ND1 3.08Å
113G95.6Very high97Very high20 Ų2033.6 Ų33.621%0.20619%0.19CC..SBendtrans79.49.7-178.400000114.2D110 H155D110-G113 PolarHBondContact O-N 2.8Å; D110-G113 PolarHBondContact OD1-N 2.98Å; D110-G113 VanDerWaalsContact OD1-N 3.17Å; G113-H155 VanDerWaalsContact C-CB 3.43Å; G113-H155 WeakPolarHBondContact O-CB 3.27Å
114R97.6Very high96.9Very high43 Ų4333.7 Ų33.716%0.16219%0.19CC..  trans-80.1127.7-177.8-56.8174.3-69.8-148.54.1109.1P109 D110 E112 H155 G156 I158 K196P109-R114 CarbonylContact C-O 3.5Å; P109-R114 VanDerWaalsContact CA-O 3.25Å; P109-R114 WeakPolarHBondContact CA-O 3.38Å; P109-R114 WeakPolarHBondContact CB-O 3.38Å; D110-R114 PolarHBondContact N-O 3.34Å; D110-R114 WeakPolarHBondContact OD1-CB 3.43Å; D110-R114 PolarHBondContact OD1-N 3.34Å; D110-R114 IonicContact OD1-NE 3.52Å; D110-R114 PolarHBondContact OD1-NE 3.37Å; D110-R114 IonicContact OD2-CZ 2.76Å; D110-R114 IonicContact OD2-NE 3.63Å; D110-R114 PolarHBondContact OD2-NE 3.4Å; D110-R114 IonicContact OD2-NH2 3.15Å; D110-R114 PolarHBondContact OD2-NH2 3.03Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 HydrophobicContact CB-CG 4.2Å; E112-R114 IonicContact OE1-CZ 2.73Å; E112-R114 IonicContact OE1-NH1 3.48Å; E112-R114 PolarHBondContact OE1-NH1 2.79Å; E112-R114 IonicContact OE1-NH2 2.71Å; E112-R114 PolarHBondContact OE1-NH2 2.96Å; E112-R114 IonicContact OE2-CZ 3.2Å; E112-R114 IonicContact OE2-NE 3.52Å; E112-R114 IonicContact OE2-NH1 3.25Å; E112-R114 PolarHBondContact OE2-NH1 2.86Å; E112-R114 IonicContact OE2-NH2 2.95Å; R114-H155 HydrophobicContact CG-CB 4.25Å; R114-G156 WeakPolarHBondContact CA-O 3.49Å; R114-I158 HydrophobicContact CB-CD1 4.3Å; R114-I158 HydrophobicContact CB-CG1 4.06Å; R114-K196 HydrophobicContact CG-CG 4.39Å
115A98Very high96.8Very high0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-75.3147.9176.300000111.5L145 W149 V152 G156 V157 I158A115-L145 HydrophobicContact CB-CD1 3.6Å; A115-L145 HydrophobicContact CB-CD2 4.09Å; A115-L145 HydrophobicContact CB-CG 4.36Å; A115-W149 HydrophobicContact CB-CE3 3.81Å; A115-W149 HydrophobicContact CB-CZ3 3.82Å; A115-V152 HydrophobicContact CB-CG2 3.41Å; A115-V152 VanDerWaalsContact CB-CG2 3.41Å; A115-G156 PolarHBondContact N-O 3.48Å; A115-V157 CarbonylContact O-C 3.56Å; A115-V157 VanDerWaalsContact O-CA 3.28Å; A115-V157 WeakPolarHBondContact O-CA 3.31Å; A115-I158 PolarHBondContact O-N 2.93Å
116L98.3Very high96.7Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-105.5126.8179.7-62.389.5000110.1L106 Q108 D110 I158 L160 I240 L244L106-L116 HydrophobicContact CB-CB 4.1Å; L106-L116 HydrophobicContact CD1-CB 3.95Å; L106-L116 HydrophobicContact CD1-CD2 4.49Å; L106-L116 HydrophobicContact CG-CB 4.29Å; L106-L116 PolarHBondContact N-O 3.48Å; Q108-L116 VanDerWaalsContact O-CD1 3.3Å; Q108-L116 WeakPolarHBondContact O-CD1 3.5Å; D110-L116 HydrophobicContact CB-CD1 4.32Å; L116-I158 CarbonylContact C-O 3.49Å; L116-I158 WeakPolarHBondContact CA-O 3.46Å; L116-I158 HydrophobicContact CG-CB 4.34Å; L116-L160 HydrophobicContact CD2-CD1 3.94Å; L116-L160 HydrophobicContact CD2-CD2 4.49Å; L116-L160 HydrophobicContact CD2-CG 4.32Å; L116-I240 HydrophobicContact CD2-CD1 4.19Å; L116-I240 HydrophobicContact CD2-CG2 3.76Å; L116-L244 HydrophobicContact CD1-CD1 4.24Å; L116-L244 HydrophobicContact CD2-CB 4.39Å; L116-L244 HydrophobicContact CD2-CD1 4.49Å
117I98.3Very high96.5Very high4 Ų439.7 Ų39.72%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-101128.5167.4-64173.8000107V103 V141 I142 L145 I158 L160V103-I117 HydrophobicContact CG2-CG2 4.04Å; I117-V141 HydrophobicContact CD1-CG1 4.23Å; I117-V141 HydrophobicContact CG1-CG1 4.09Å; I117-V141 HydrophobicContact CG2-CG1 4.09Å; I117-I142 HydrophobicContact CD1-CG1 3.84Å; I117-L145 HydrophobicContact CD1-CD2 4.18Å; I117-L145 HydrophobicContact CG1-CD2 4.32Å; I117-I158 PolarHBondContact N-O 3.38Å; I117-L160 PolarHBondContact O-N 2.94Å
118Y98.3Very high96.4Very high0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-107115177.6-169.5-151.2000110.5V103 C104 L106 R120 L160 D162 F201 P246 L251 V258V103-Y118 VanDerWaalsContact CA-O 3.29Å; V103-Y118 WeakPolarHBondContact CA-O 3.38Å; C104-Y118 PolarHBondContact N-O 3.41Å; C104-Y118 PolarHBondContact O-N 3.12Å; L106-Y118 HydrophobicContact CD2-CD1 4.2Å; L106-Y118 HydrophobicContact CD2-CG 4.38Å; Y118-R120 HydrophobicContact CD1-CG 4.28Å; Y118-R120 HydrophobicContact CD2-CG 4.26Å; Y118-R120 VanDerWaalsContact CE1-CD 3.48Å; Y118-R120 HydrophobicContact CE1-CG 3.91Å; Y118-R120 HydrophobicContact CE2-CG 3.91Å; Y118-R120 HydrophobicContact CG-CG 4.46Å; Y118-L160 HydrophobicContact CD2-CB 3.77Å; Y118-L160 HydrophobicContact CD2-CD1 4.44Å; Y118-L160 HydrophobicContact CE2-CB 4.4Å; Y118-D162 HydrophobicContact CE2-CB 3.67Å; Y118-D162 PolarHBondContact OH-OD2 3.4Å; Y118-F201 HydrophobicContact CE2-CE2 4.36Å; Y118-F201 AromaticContact CE2-CZ 3.81Å; Y118-F201 HydrophobicContact CE2-CZ 3.81Å; Y118-P246 HydrophobicContact CD1-CG 3.83Å; Y118-P246 HydrophobicContact CE1-CG 3.69Å; Y118-L251 HydrophobicContact CE2-CD1 4.43Å; Y118-L251 WeakPolarHBondContact OH-CD1 3.38Å; Y118-V258 HydrophobicContact CD1-CG1 4.46Å; Y118-V258 HydrophobicContact CD1-CG2 4.45Å
119F98Very high96.4Very high28 Ų2840.8 Ų40.812%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-117.9122.8-178-179-131000110.6V102 V103 P121 I134 L160 V161 D162V102-F119 HydrophobicContact CG1-CD2 4.27Å; V102-F119 HydrophobicContact CG1-CE2 3.86Å; V102-F119 CarbonylContact O-C 3.33Å; V102-F119 WeakPolarHBondContact O-CA 3.4Å; V102-F119 WeakPolarHBondContact O-CD2 3.33Å; V103-F119 HydrophobicContact CB-CD2 4Å; V103-F119 HydrophobicContact CG2-CB 4.41Å; V103-F119 HydrophobicContact CG2-CD2 4.15Å; F119-P121 HydrophobicContact CD1-CG 4.37Å; F119-P121 HydrophobicContact CE1-CB 3.95Å; F119-P121 HydrophobicContact CE1-CG 3.97Å; F119-P121 HydrophobicContact CE2-CB 4.32Å; F119-P121 HydrophobicContact CZ-CB 3.73Å; F119-P121 HydrophobicContact CZ-CG 4.24Å; F119-P121 WeakPolarHBondContact O-CD 3.22Å; F119-I134 HydrophobicContact CE2-CG2 3.85Å; F119-I134 HydrophobicContact CZ-CG2 3.94Å; F119-L160 PolarHBondContact N-O 2.62Å; F119-V161 HydrophobicContact CD1-CG1 4.2Å; F119-V161 HydrophobicContact CD1-CG2 4.45Å; F119-V161 WeakPolarHBondContact O-CA 3.4Å; F119-D162 PolarHBondContact O-N 3.09Å
120R97.7Very high96.3Very high22 Ų2240.7 Ų40.78%0.08324%0.236CC..  trans-124.674-175.4-56.9-167.2-76.6-177.64.2110.3G101 V102 Y118 G122 L123 D162 V258G101-R120 VanDerWaalsContact O-CZ 3.25Å; G101-R120 PolarHBondContact O-NE 3.32Å; G101-R120 PolarHBondContact O-NH2 3.23Å; V102-R120 PolarHBondContact O-N 3.02Å; Y118-R120 HydrophobicContact CD1-CG 4.28Å; Y118-R120 HydrophobicContact CD2-CG 4.26Å; Y118-R120 VanDerWaalsContact CE1-CD 3.48Å; Y118-R120 HydrophobicContact CE1-CG 3.91Å; Y118-R120 HydrophobicContact CE2-CG 3.91Å; Y118-R120 HydrophobicContact CG-CG 4.46Å; R120-G122 PolarHBondContact O-N 2.92Å; R120-G122 VanDerWaalsContact O-N 3.09Å; R120-L123 HydrophobicContact CB-CD1 3.94Å; R120-L123 HydrophobicContact CB-CG 4.16Å; R120-L123 PolarHBondContact O-N 3.4Å; R120-L123 VanDerWaalsContact O-N 3.14Å; R120-D162 HydrophobicContact CG-CB 4.08Å; R120-V258 PolarHBondContact NH2-O 3.18Å
121P96.4Very high96.1Very high2 Ų241 Ų411%0.01324%0.239CC..G310 helixtrans-61.2-19.4-175.523.5-35.4000114.5F119 L123 W124 D162 L163 F166 H170 L174F119-P121 HydrophobicContact CD1-CG 4.37Å; F119-P121 HydrophobicContact CE1-CB 3.95Å; F119-P121 HydrophobicContact CE1-CG 3.97Å; F119-P121 HydrophobicContact CE2-CB 4.32Å; F119-P121 HydrophobicContact CZ-CB 3.73Å; F119-P121 HydrophobicContact CZ-CG 4.24Å; F119-P121 WeakPolarHBondContact O-CD 3.22Å; P121-L123 PolarHBondContact O-N 3.43Å; P121-W124 PolarHBondContact O-N 2.78Å; P121-D162 WeakPolarHBondContact CD-O 3.18Å; P121-L163 HydrophobicContact CG-CD2 3.66Å; P121-F166 HydrophobicContact CB-CD2 4Å; P121-F166 HydrophobicContact CB-CE2 4.17Å; P121-F166 HydrophobicContact CG-CD2 3.88Å; P121-F166 HydrophobicContact CG-CE2 4.25Å; P121-H170 PolarHBondContact O-CD2 3.13Å; P121-H170 VanDerWaalsContact O-CD2 3.26Å; P121-L174 HydrophobicContact CB-CD1 4.38Å
122G96.6Very high96.1Very high15 Ų1536 Ų3616%0.15520%0.202CC..G310 helixtrans-73.7-8.917700000115.2R120 S164R120-G122 PolarHBondContact O-N 2.92Å; R120-G122 VanDerWaalsContact O-N 3.09Å; G122-S164 WeakPolarHBondContact CA-O 3.42Å
123L97Very high96.1Very high77 Ų7732.9 Ų32.940%0.40319%0.188SC..G310 helixtrans-89.8-12174.2-62-179000113.2S100 V102 R120 P121S100-L123 WeakPolarHBondContact O-CD1 3.49Å; V102-L123 HydrophobicContact CG2-CB 3.74Å; R120-L123 HydrophobicContact CB-CD1 3.94Å; R120-L123 HydrophobicContact CB-CG 4.16Å; R120-L123 PolarHBondContact O-N 3.4Å; R120-L123 VanDerWaalsContact O-N 3.14Å; P121-L123 PolarHBondContact O-N 3.43Å
124W97Very high96.1Very high3 Ų332 Ų321%0.01118%0.179CC..SBendtrans-74.7135.3175.6162.737000109.3V102 P121 P126 W129 T131 I134 H170 N173 L174V102-W124 HydrophobicContact CG1-CB 4.46Å; V102-W124 HydrophobicContact CG2-CB 4.03Å; P121-W124 PolarHBondContact O-N 2.78Å; W124-P126 HydrophobicContact CD2-CG 4.07Å; W124-P126 HydrophobicContact CE3-CG 4.22Å; W124-P126 HydrophobicContact CH2-CB 4.19Å; W124-P126 HydrophobicContact CH2-CG 4.37Å; W124-P126 HydrophobicContact CZ2-CB 3.84Å; W124-P126 HydrophobicContact CZ2-CG 4.23Å; W124-P126 HydrophobicContact CZ3-CG 4.36Å; W124-P126 VanDerWaalsContact O-CD 3.26Å; W124-P126 WeakPolarHBondContact O-CD 3.36Å; W124-W129 AromaticContact CD1-CE3 3.54Å; W124-W129 HydrophobicContact CG-CE3 4.39Å; W124-W129 PolarHBondContact NE1-O 3.29Å; W124-T131 HydrophobicContact CH2-CG2 3.49Å; W124-T131 VanDerWaalsContact CH2-CG2 3.49Å; W124-T131 HydrophobicContact CZ2-CG2 3.99Å; W124-T131 HydrophobicContact CZ3-CG2 4.49Å; W124-I134 HydrophobicContact CB-CD1 3.9Å; W124-I134 HydrophobicContact CB-CG1 4.4Å; W124-I134 HydrophobicContact CD2-CD1 3.96Å; W124-I134 HydrophobicContact CD2-CG1 3.55Å; W124-I134 HydrophobicContact CE3-CG1 4Å; W124-I134 HydrophobicContact CG-CD1 3.55Å; W124-I134 HydrophobicContact CG-CG1 3.74Å; W124-I134 HydrophobicContact CZ2-CG1 4.24Å; W124-H170 AromaticContact CE3-CD2 3.98Å; W124-H170 PolarHBondContact O-CD2 2.91Å; W124-H170 PolarHBondContact O-NE2 3.02Å; W124-N173 HydrophobicContact CH2-CB 3.56Å; W124-N173 HydrophobicContact CZ2-CB 4.48Å; W124-N173 HydrophobicContact CZ3-CB 4.2Å; W124-L174 HydrophobicContact CZ3-CD2 3.83Å; W124-L174 HydrophobicContact CZ3-CG 4Å
125N95.2Very high96Very high55 Ų5530.5 Ų30.529%0.29417%0.173SC..  trans-93.6104168.8-174.5-5.3000111.2A127 E128 W129N125-A127 PolarHBondContact O-N 3.13Å; N125-A127 VanDerWaalsContact O-N 3.15Å; N125-A127 WeakPolarHBondContact OD1-CB 3.25Å; N125-A127 PolarHBondContact OD1-N 2.77Å; N125-A127 VanDerWaalsContact OD1-N 3.11Å; N125-E128 HydrophobicContact CB-CB 4.39Å; N125-E128 WeakPolarHBondContact ND2-CG 3.28Å; N125-E128 PolarHBondContact ND2-OE1 3.45Å; N125-E128 PolarHBondContact ND2-OE2 2.89Å; N125-E128 PolarHBondContact O-N 3.07Å; N125-E128 VanDerWaalsContact O-N 3.15Å; N125-W129 PolarHBondContact O-N 2.97Å
126P94.2Very high95.9Very high30 Ų3032.1 Ų32.120%0.19518%0.18CC..THydrogen-bonded Turntrans-70.5-9.7-177.5-17.533.5000114.3W124 R169 H170W124-P126 HydrophobicContact CD2-CG 4.07Å; W124-P126 HydrophobicContact CE3-CG 4.22Å; W124-P126 HydrophobicContact CH2-CB 4.19Å; W124-P126 HydrophobicContact CH2-CG 4.37Å; W124-P126 HydrophobicContact CZ2-CB 3.84Å; W124-P126 HydrophobicContact CZ2-CG 4.23Å; W124-P126 HydrophobicContact CZ3-CG 4.36Å; W124-P126 VanDerWaalsContact O-CD 3.26Å; W124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-R169 HydrophobicContact CG-CB 4.5Å; P126-H170 VanDerWaalsContact CG-CD2 3.49Å; P126-H170 WeakPolarHBondContact CG-CD2 3.46Å
127A93Very high95.9Very high87 Ų8732.1 Ų32.172%0.71918%0.18SC*.THydrogen-bonded Turntrans-82.7-20.4175.100000112.6N125N125-A127 PolarHBondContact O-N 3.13Å; N125-A127 VanDerWaalsContact O-N 3.15Å; N125-A127 WeakPolarHBondContact OD1-CB 3.25Å; N125-A127 PolarHBondContact OD1-N 2.77Å; N125-A127 VanDerWaalsContact OD1-N 3.11Å
128E94.8Very high95.8Very high139 Ų13933.6 Ų33.665%0.6519%0.188SC*.THydrogen-bonded Turntrans-112.7-39.1-175.5-71.5173.3-159.400112.2N125N125-E128 HydrophobicContact CB-CB 4.39Å; N125-E128 WeakPolarHBondContact ND2-CG 3.28Å; N125-E128 PolarHBondContact ND2-OE1 3.45Å; N125-E128 PolarHBondContact ND2-OE2 2.89Å; N125-E128 PolarHBondContact O-N 3.07Å; N125-E128 VanDerWaalsContact O-N 3.15Å
129W95Very high95.6Very high45 Ų4533.6 Ų33.617%0.1719%0.188CC..SBendtrans-113139-174.9-41.3-27.1000110.4H96 V97 S100 V102 W124 N125 D133 I134H96-W129 AromaticContact CD2-CD1 3.68Å; H96-W129 AromaticContact CD2-CD2 3.51Å; H96-W129 AromaticContact CD2-CE2 3.6Å; H96-W129 AromaticContact CD2-CE3 3.99Å; H96-W129 AromaticContact CD2-CG 3.65Å; H96-W129 AromaticContact CD2-NE1 3.7Å; H96-W129 AromaticContact NE2-CD1 3.96Å; H96-W129 AromaticContact NE2-CG 3.84Å; V97-W129 HydrophobicContact CG2-CE3 4.29Å; S100-W129 WeakPolarHBondContact OG-CH2 3.36Å; S100-W129 WeakPolarHBondContact OG-CZ3 3.41Å; V102-W129 HydrophobicContact CG2-CZ3 4.13Å; W124-W129 AromaticContact CD1-CE3 3.54Å; W124-W129 HydrophobicContact CG-CE3 4.39Å; W124-W129 PolarHBondContact NE1-O 3.29Å; N125-W129 PolarHBondContact O-N 2.97Å; W129-D133 HydrophobicContact CB-CB 4.38Å; W129-I134 HydrophobicContact CE3-CD1 4.46Å
130S93.4Very high95.6Very high54 Ų5432.3 Ų32.338%0.37818%0.182SC..  trans-72.3161.1179.976.80000111.7N132 D133S130-N132 PolarHBondContact O-N 3.27Å; S130-N132 WeakPolarHBondContact OG-CB 3.25Å; S130-N132 PolarHBondContact OG-N 3.18Å; S130-D133 PolarHBondContact O-N 3.04Å; S130-D133 PolarHBondContact OG-N 3.47Å; S130-D133 PolarHBondContact OG-OD1 2.81Å
131T93.2Very high95.6Very high21 Ų2131.2 Ų31.213%0.12918%0.178CC..Hα-helixtrans-60.1-24.1166.946.90000112.4W124 I134 F135 N173 F179W124-T131 HydrophobicContact CH2-CG2 3.49Å; W124-T131 VanDerWaalsContact CH2-CG2 3.49Å; W124-T131 HydrophobicContact CZ2-CG2 3.99Å; W124-T131 HydrophobicContact CZ3-CG2 4.49Å; T131-I134 PolarHBondContact O-N 2.96Å; T131-F135 WeakPolarHBondContact O-CB 3.3Å; T131-F135 PolarHBondContact O-N 2.96Å; T131-N173 HydrophobicContact CG2-CB 3.82Å; T131-F179 HydrophobicContact CG2-CD2 4.14Å
132N94.4Very high95.7Very high20 Ų2031.6 Ų31.611%0.10718%0.18CC..Hα-helixtrans-66.3-39.4176.3-71.5-2.3000111.5D84 I85 S130 I134 F135 R136 W178 R182D84-N132 PolarHBondContact O-ND2 3.5Å; D84-N132 VanDerWaalsContact O-ND2 3.15Å; D84-N132 PolarHBondContact OD2-ND2 3.04Å; I85-N132 HydrophobicContact CD1-CB 3.58Å; I85-N132 WeakPolarHBondContact CD1-OD1 3.2Å; S130-N132 PolarHBondContact O-N 3.27Å; S130-N132 WeakPolarHBondContact OG-CB 3.25Å; S130-N132 PolarHBondContact OG-N 3.18Å; N132-I134 VanDerWaalsContact C-N 3.27Å; N132-I134 PolarHBondContact O-N 2.89Å; N132-F135 PolarHBondContact O-N 3.42Å; N132-R136 VanDerWaalsContact O-CB 3.3Å; N132-R136 WeakPolarHBondContact O-CB 3.37Å; N132-R136 WeakPolarHBondContact O-CG 3.37Å; N132-R136 PolarHBondContact O-N 2.95Å; N132-W178 WeakPolarHBondContact OD1-CH2 3.47Å; N132-W178 WeakPolarHBondContact OD1-CZ3 3.39Å; N132-R182 PolarHBondContact OD1-NH1 3.16Å
133D96.1Very high95.6Very high26 Ų2631.1 Ų31.114%0.13917%0.173CC..Hα-helixtrans-60.1-43.5178.4-62.29.1000110.2V94 H96 V97 W129 S130 F135 R136 A137V94-D133 HydrophobicContact CG1-CB 4.01Å; H96-D133 IonicContact CE1-OD2 3.54Å; H96-D133 IonicContact NE2-OD2 2.94Å; H96-D133 PolarHBondContact NE2-OD2 2.96Å; V97-D133 HydrophobicContact CG2-CB 3.93Å; W129-D133 HydrophobicContact CB-CB 4.38Å; S130-D133 PolarHBondContact O-N 3.04Å; S130-D133 PolarHBondContact OG-N 3.47Å; S130-D133 PolarHBondContact OG-OD1 2.81Å; D133-F135 PolarHBondContact O-N 3.47Å; D133-R136 PolarHBondContact O-N 3.38Å; D133-A137 VanDerWaalsContact O-CB 3.3Å; D133-A137 WeakPolarHBondContact O-CB 3.45Å; D133-A137 PolarHBondContact O-N 3.34Å
134I95.7Very high95.6Very high1 Ų127.9 Ų27.91%0.00516%0.156CC..Hα-helixtrans-66.1-41.1178.6-53.6-45.2000111.3V97 V102 F119 W124 W129 T131 N132 N138V97-I134 HydrophobicContact CG1-CD1 3.88Å; V97-I134 HydrophobicContact CG2-CD1 4.22Å; V102-I134 HydrophobicContact CG1-CD1 4.16Å; F119-I134 HydrophobicContact CE2-CG2 3.85Å; F119-I134 HydrophobicContact CZ-CG2 3.94Å; W124-I134 HydrophobicContact CB-CD1 3.9Å; W124-I134 HydrophobicContact CB-CG1 4.4Å; W124-I134 HydrophobicContact CD2-CD1 3.96Å; W124-I134 HydrophobicContact CD2-CG1 3.55Å; W124-I134 HydrophobicContact CE3-CG1 4Å; W124-I134 HydrophobicContact CG-CD1 3.55Å; W124-I134 HydrophobicContact CG-CG1 3.74Å; W124-I134 HydrophobicContact CZ2-CG1 4.24Å; W129-I134 HydrophobicContact CE3-CD1 4.46Å; T131-I134 PolarHBondContact O-N 2.96Å; N132-I134 VanDerWaalsContact C-N 3.27Å; N132-I134 PolarHBondContact O-N 2.89Å; I134-N138 PolarHBondContact O-N 2.7Å; I134-N138 VanDerWaalsContact O-N 3.11Å; I134-N138 PolarHBondContact O-ND2 3.27Å
135F94.9Very high95.6Very high11 Ų1127.7 Ų27.75%0.04816%0.155CC..Hα-helixtrans-66.7-47.6177.6-161.3-77.2000111.5I85 F86 T131 N132 D133 A137 N138 V139 F179 R182 A183 F186I85-F135 HydrophobicContact CD1-CB 3.97Å; I85-F135 HydrophobicContact CD1-CD1 4.18Å; I85-F135 HydrophobicContact CD1-CG 4.22Å; I85-F135 HydrophobicContact CG1-CD1 4.27Å; I85-F135 HydrophobicContact CG2-CD1 3.6Å; I85-F135 HydrophobicContact CG2-CE1 4.08Å; F86-F135 HydrophobicContact CZ-CE1 4.36Å; T131-F135 WeakPolarHBondContact O-CB 3.3Å; T131-F135 PolarHBondContact O-N 2.96Å; N132-F135 PolarHBondContact O-N 3.42Å; D133-F135 PolarHBondContact O-N 3.47Å; F135-A137 VanDerWaalsContact C-N 3.35Å; F135-A137 PolarHBondContact O-N 3.37Å; F135-N138 PolarHBondContact O-N 3.11Å; F135-V139 HydrophobicContact CD1-CG2 3.72Å; F135-V139 HydrophobicContact CE1-CG2 3.62Å; F135-V139 WeakPolarHBondContact O-CG2 3.24Å; F135-V139 PolarHBondContact O-N 2.9Å; F135-F179 HydrophobicContact CB-CE2 4.27Å; F135-F179 HydrophobicContact CD2-CD2 4.37Å; F135-F179 AromaticContact CD2-CE2 3.86Å; F135-F179 HydrophobicContact CD2-CE2 3.86Å; F135-F179 HydrophobicContact CD2-CZ 4.3Å; F135-R182 HydrophobicContact CD2-CB 4.41Å; F135-R182 HydrophobicContact CE2-CB 3.71Å; F135-R182 HydrophobicContact CZ-CB 4.01Å; F135-A183 HydrophobicContact CE2-CB 4.21Å; F135-F186 HydrophobicContact CE1-CB 4.5Å; F135-F186 HydrophobicContact CE1-CG 4.44Å; F135-F186 HydrophobicContact CZ-CB 3.74Å; F135-F186 HydrophobicContact CZ-CD1 4.5Å; F135-F186 HydrophobicContact CZ-CG 4.06Å
136R96.4Very high95.6Very high35 Ų3525.1 Ų25.113%0.13214%0.142CC..Hα-helixtrans-55.6-48.8175.8-75.9-178.1166.6130.6-10.8111.3D84 I85 L89 V94 N132 D133 N138 V139 L140D84-R136 PolarHBondContact O-NH1 3.22Å; D84-R136 PolarHBondContact O-NH2 2.8Å; I85-R136 HydrophobicContact CG2-CG 4.1Å; I85-R136 WeakPolarHBondContact O-CG 3.48Å; I85-R136 PolarHBondContact O-NE 2.89Å; L89-R136 HydrophobicContact CD1-CB 3.6Å; L89-R136 HydrophobicContact CD1-CG 3.56Å; V94-R136 HydrophobicContact CG1-CB 3.92Å; V94-R136 HydrophobicContact CG2-CB 4.41Å; N132-R136 VanDerWaalsContact O-CB 3.3Å; N132-R136 WeakPolarHBondContact O-CB 3.37Å; N132-R136 WeakPolarHBondContact O-CG 3.37Å; N132-R136 PolarHBondContact O-N 2.95Å; D133-R136 PolarHBondContact O-N 3.38Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.08Å; R136-V139 PolarHBondContact O-N 2.93Å; R136-V139 VanDerWaalsContact O-N 3.16Å; R136-L140 VanDerWaalsContact O-CG 3.32Å; R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.75Å
137A97.8Very high95.6Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-58.4-44.3177.700000112V94 V97 F98 V103 D133 F135 V139 L140 V141V94-A137 HydrophobicContact CG2-CB 4.13Å; V97-A137 HydrophobicContact CB-CB 3.99Å; V97-A137 HydrophobicContact CG1-CB 3.57Å; F98-A137 HydrophobicContact CD1-CB 4.5Å; F98-A137 HydrophobicContact CE1-CB 3.7Å; F98-A137 HydrophobicContact CZ-CB 3.94Å; V103-A137 HydrophobicContact CG1-CB 3.61Å; D133-A137 VanDerWaalsContact O-CB 3.3Å; D133-A137 WeakPolarHBondContact O-CB 3.45Å; D133-A137 PolarHBondContact O-N 3.34Å; F135-A137 VanDerWaalsContact C-N 3.35Å; F135-A137 PolarHBondContact O-N 3.37Å; A137-V139 PolarHBondContact O-N 3.04Å; A137-L140 PolarHBondContact O-N 2.75Å; A137-V141 VanDerWaalsContact O-CG2 3.29Å; A137-V141 WeakPolarHBondContact O-CG2 3.25Å; A137-V141 PolarHBondContact O-N 2.91Å
138N96.1Very high95.6Very high35 Ų3523 Ų2319%0.18712%0.119CC..Hα-helixtrans-63.8-40.1175.9-85.3-90.5000112.8I134 F135 R136 I142I134-N138 PolarHBondContact O-N 2.7Å; I134-N138 VanDerWaalsContact O-N 3.11Å; I134-N138 PolarHBondContact O-ND2 3.27Å; F135-N138 PolarHBondContact O-N 3.11Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.08Å; N138-I142 WeakPolarHBondContact O-CD1 3.32Å; N138-I142 WeakPolarHBondContact O-CG1 3.44Å; N138-I142 PolarHBondContact O-N 3.01Å
139V95.9Very high95.6Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-62.8-47.7175.21750000110.3F86 L89 F135 R136 A137 V141 I142 E143 F186F86-V139 HydrophobicContact CE1-CG1 3.95Å; F86-V139 HydrophobicContact CE1-CG2 4.26Å; F86-V139 HydrophobicContact CZ-CG2 4.37Å; L89-V139 HydrophobicContact CD2-CB 4.31Å; L89-V139 HydrophobicContact CD2-CG1 3.61Å; F135-V139 HydrophobicContact CD1-CG2 3.72Å; F135-V139 HydrophobicContact CE1-CG2 3.62Å; F135-V139 WeakPolarHBondContact O-CG2 3.24Å; F135-V139 PolarHBondContact O-N 2.9Å; R136-V139 PolarHBondContact O-N 2.93Å; R136-V139 VanDerWaalsContact O-N 3.16Å; A137-V139 PolarHBondContact O-N 3.04Å; V139-V141 VanDerWaalsContact C-N 3.35Å; V139-V141 PolarHBondContact O-N 3.47Å; V139-I142 PolarHBondContact O-N 2.84Å; V139-I142 VanDerWaalsContact O-N 3.09Å; V139-E143 HydrophobicContact CG1-CG 4.07Å; V139-E143 WeakPolarHBondContact O-CG 3.31Å; V139-E143 PolarHBondContact O-N 2.96Å; V139-F186 HydrophobicContact CB-CZ 4.48Å; V139-F186 HydrophobicContact CG1-CE2 4.41Å; V139-F186 HydrophobicContact CG2-CD2 4.33Å; V139-F186 HydrophobicContact CG2-CE2 3.8Å; V139-F186 HydrophobicContact CG2-CZ 3.89Å
140L97.8Very high95.5Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-59.8-42.7-179.9-72.5165.2000112.2L89 P91 V94 F98 R136 A137 I142 E143 E144 F274L89-L140 HydrophobicContact CD1-CD1 4.19Å; L89-L140 HydrophobicContact CD1-CD2 4.27Å; L89-L140 HydrophobicContact CD1-CG 3.98Å; L89-L140 HydrophobicContact CD2-CD2 4.4Å; L89-L140 HydrophobicContact CG-CD2 3.91Å; L89-L140 HydrophobicContact CG-CG 4.16Å; P91-L140 HydrophobicContact CG-CD2 4.44Å; V94-L140 HydrophobicContact CG2-CD1 3.45Å; V94-L140 VanDerWaalsContact CG2-CD1 3.45Å; F98-L140 HydrophobicContact CE2-CD1 4.28Å; F98-L140 HydrophobicContact CZ-CB 4.08Å; F98-L140 HydrophobicContact CZ-CD1 3.97Å; R136-L140 VanDerWaalsContact O-CG 3.32Å; R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.75Å; A137-L140 PolarHBondContact O-N 2.75Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.81Å; L140-E143 PolarHBondContact O-N 3.29Å; L140-E144 VanDerWaalsContact O-CB 3.3Å; L140-E144 WeakPolarHBondContact O-CB 3.34Å; L140-E144 PolarHBondContact O-N 3.25Å; L140-F274 HydrophobicContact CD2-CD1 3.5Å; L140-F274 HydrophobicContact CD2-CD2 4.07Å; L140-F274 HydrophobicContact CD2-CE1 3.38Å; L140-F274 HydrophobicContact CD2-CE2 3.95Å; L140-F274 HydrophobicContact CD2-CG 3.85Å; L140-F274 HydrophobicContact CD2-CZ 3.61Å
141V97.8Very high95.6Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-60.6-39.9175.1171.90000111.2F98 V103 R105 I117 A137 V139 L145F98-V141 HydrophobicContact CE1-CG2 3.91Å; V103-V141 HydrophobicContact CG1-CG2 4.04Å; V103-V141 HydrophobicContact CG2-CG2 4.13Å; R105-V141 HydrophobicContact CB-CG1 4.36Å; I117-V141 HydrophobicContact CD1-CG1 4.23Å; I117-V141 HydrophobicContact CG1-CG1 4.09Å; I117-V141 HydrophobicContact CG2-CG1 4.09Å; A137-V141 VanDerWaalsContact O-CG2 3.29Å; A137-V141 WeakPolarHBondContact O-CG2 3.25Å; A137-V141 PolarHBondContact O-N 2.91Å; V139-V141 VanDerWaalsContact C-N 3.35Å; V139-V141 PolarHBondContact O-N 3.47Å; V141-L145 WeakPolarHBondContact O-CB 3.4Å; V141-L145 PolarHBondContact O-N 3.01Å
142I96.6Very high95.7Very high10 Ų1016.8 Ų16.85%0.0519%0.09CC..Hα-helixtrans-70.9-42.6178.4-71.7164.6000111.5I117 N138 V139 L140 L145 L146 F186 V193I117-I142 HydrophobicContact CD1-CG1 3.84Å; N138-I142 WeakPolarHBondContact O-CD1 3.32Å; N138-I142 WeakPolarHBondContact O-CG1 3.44Å; N138-I142 PolarHBondContact O-N 3.01Å; V139-I142 PolarHBondContact O-N 2.84Å; V139-I142 VanDerWaalsContact O-N 3.09Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.81Å; I142-L145 PolarHBondContact O-N 2.87Å; I142-L146 HydrophobicContact CG2-CD1 3.87Å; I142-L146 HydrophobicContact CG2-CG 4.48Å; I142-L146 WeakPolarHBondContact O-CB 3.05Å; I142-L146 VanDerWaalsContact O-CG 3.25Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.42Å; I142-F186 HydrophobicContact CD1-CE1 3.41Å; I142-F186 VanDerWaalsContact CD1-CE1 3.41Å; I142-F186 HydrophobicContact CD1-CZ 3.6Å; I142-F186 HydrophobicContact CG2-CZ 4.44Å; I142-V193 HydrophobicContact CG2-CB 3.91Å; I142-V193 HydrophobicContact CG2-CG1 4.28Å; I142-V193 HydrophobicContact CG2-CG2 4.24Å
143E96.4Very high95.8Very high5 Ų516.3 Ų16.32%0.0239%0.088CC..Hα-helixtrans-67.3-41.4178.5-67.1-65.9169.500111.8R56 Y75 R79 V139 L140 L146 L147 F274R56-E143 IonicContact NH1-OE2 3.48Å; Y75-E143 VanDerWaalsContact CE2-OE1 3.22Å; Y75-E143 WeakPolarHBondContact CE2-OE1 3.38Å; Y75-E143 PolarHBondContact OH-OE1 3.5Å; R79-E143 IonicContact CZ-OE1 2.73Å; R79-E143 IonicContact NH2-OE1 2.88Å; R79-E143 PolarHBondContact NH2-OE1 3.28Å; V139-E143 HydrophobicContact CG1-CG 4.07Å; V139-E143 WeakPolarHBondContact O-CG 3.31Å; V139-E143 PolarHBondContact O-N 2.96Å; L140-E143 PolarHBondContact O-N 3.29Å; E143-L146 PolarHBondContact O-N 3.17Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 PolarHBondContact O-N 2.76Å; E143-F274 HydrophobicContact CB-CE1 3.55Å; E143-F274 HydrophobicContact CB-CZ 3.8Å; E143-F274 HydrophobicContact CG-CE1 4.21Å
144E96.5Very high95.9Very high8 Ų815.1 Ų15.14%0.0378%0.081CC..Hα-helixtrans-57.9-49.5171.4-179.5-88.4143.800110.4R105 L140 L146 L147 S148 L267 L270R105-E144 IonicContact NE-OE1 3.83Å; R105-E144 PolarHBondContact NE-OE1 3.1Å; R105-E144 IonicContact NE-OE2 3.54Å; R105-E144 PolarHBondContact NE-OE2 3.24Å; R105-E144 IonicContact NH2-OE1 3.5Å; L140-E144 VanDerWaalsContact O-CB 3.3Å; L140-E144 WeakPolarHBondContact O-CB 3.34Å; L140-E144 PolarHBondContact O-N 3.25Å; E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.85Å; E144-L147 PolarHBondContact O-N 2.81Å; E144-L147 VanDerWaalsContact O-N 3.12Å; E144-S148 WeakPolarHBondContact O-CB 3.26Å; E144-S148 PolarHBondContact O-N 3.36Å; E144-S148 PolarHBondContact O-OG 3.3Å; E144-S148 VanDerWaalsContact O-OG 3.13Å; E144-S148 VanDerWaalsContact OE1-CB 3.25Å; E144-S148 WeakPolarHBondContact OE1-CB 3.44Å; E144-S148 PolarHBondContact OE1-OG 2.87Å; E144-L267 HydrophobicContact CB-CD1 3.63Å; E144-L267 HydrophobicContact CG-CD1 3.74Å; E144-L270 HydrophobicContact CB-CD1 4.09Å; E144-L270 HydrophobicContact CG-CD1 3.52Å
145L95.5Very high96Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-59.8-41.8-179.8-175.273.2000112.5R105 A115 I117 V141 I142 L147 W149 V152 V157R105-L145 HydrophobicContact CG-CD1 3.75Å; A115-L145 HydrophobicContact CB-CD1 3.6Å; A115-L145 HydrophobicContact CB-CD2 4.09Å; A115-L145 HydrophobicContact CB-CG 4.36Å; I117-L145 HydrophobicContact CD1-CD2 4.18Å; I117-L145 HydrophobicContact CG1-CD2 4.32Å; V141-L145 WeakPolarHBondContact O-CB 3.4Å; V141-L145 PolarHBondContact O-N 3.01Å; I142-L145 PolarHBondContact O-N 2.87Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.79Å; L145-W149 HydrophobicContact CD1-CB 4.39Å; L145-W149 HydrophobicContact CD1-CD2 4.26Å; L145-W149 HydrophobicContact CD1-CE3 3.88Å; L145-W149 HydrophobicContact CD1-CG 4.49Å; L145-W149 WeakPolarHBondContact O-CB 3.18Å; L145-W149 PolarHBondContact O-N 2.83Å; L145-W149 VanDerWaalsContact O-N 3.11Å; L145-V152 HydrophobicContact CD1-CG2 3.88Å; L145-V152 HydrophobicContact CD2-CG1 3.78Å; L145-V152 HydrophobicContact CD2-CG2 4.35Å; L145-V152 HydrophobicContact CG-CB 4.28Å; L145-V152 HydrophobicContact CG-CG1 3.9Å; L145-V152 HydrophobicContact CG-CG2 3.97Å; L145-V157 HydrophobicContact CD2-CB 4.47Å; L145-V157 HydrophobicContact CD2-CG1 3.37Å
146L95.6Very high96.1Very high1 Ų115.4 Ų15.41%0.0058%0.083CC..Hα-helixtrans-69.8-26.7178.5-73.3166.9000113.3I142 E143 E144 Q153 P192I142-L146 HydrophobicContact CG2-CD1 3.87Å; I142-L146 HydrophobicContact CG2-CG 4.48Å; I142-L146 WeakPolarHBondContact O-CB 3.05Å; I142-L146 VanDerWaalsContact O-CG 3.25Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.42Å; E143-L146 PolarHBondContact O-N 3.17Å; E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.85Å; L146-Q153 HydrophobicContact CD2-CG 3.97Å; L146-Q153 PolarHBondContact O-NE2 3.02Å; L146-P192 HydrophobicContact CD1-CG 3.78Å
147L94.7Very high96.2Very high33 Ų3313.8 Ų13.817%0.1738%0.077CC..Hα-helixtrans-82.2-58.6176.5176.868.3000111.4E143 E144 L145 L270 Y273E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 PolarHBondContact O-N 2.76Å; E144-L147 PolarHBondContact O-N 2.81Å; E144-L147 VanDerWaalsContact O-N 3.12Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.79Å; L147-L270 HydrophobicContact CD2-CD1 4.2Å; L147-L270 HydrophobicContact CD2-CD2 3.9Å; L147-Y273 HydrophobicContact CD1-CD2 4.41Å; L147-Y273 HydrophobicContact CD1-CE2 3.83Å; L147-Y273 HydrophobicContact CD2-CD1 3.79Å; L147-Y273 HydrophobicContact CD2-CD2 4.02Å; L147-Y273 HydrophobicContact CD2-CE1 3.79Å; L147-Y273 HydrophobicContact CD2-CE2 4Å; L147-Y273 HydrophobicContact CD2-CG 3.91Å
148S93Very high96.2Very high38 Ų3814 Ų1427%0.2668%0.077SC..Hα-helixtrans-72.3-33.8-171.1-54.80000112.6E144 P150E144-S148 WeakPolarHBondContact O-CB 3.26Å; E144-S148 PolarHBondContact O-N 3.36Å; E144-S148 PolarHBondContact O-OG 3.3Å; E144-S148 VanDerWaalsContact O-OG 3.13Å; E144-S148 VanDerWaalsContact OE1-CB 3.25Å; E144-S148 WeakPolarHBondContact OE1-CB 3.44Å; E144-S148 PolarHBondContact OE1-OG 2.87Å; S148-P150 WeakPolarHBondContact O-CD 3.2Å
149W94.1Very high96.3Very high64 Ų6413.4 Ų13.424%0.2427%0.074CC..  trans-121.876.6-172.4-72.114.1000111.9P107 P109 A115 L145 A151 V152P107-W149 VanDerWaalsContact O-CH2 3.25Å; P107-W149 WeakPolarHBondContact O-CH2 3.29Å; P107-W149 WeakPolarHBondContact O-CZ2 3.24Å; P109-W149 HydrophobicContact CB-CZ3 4.47Å; A115-W149 HydrophobicContact CB-CE3 3.81Å; A115-W149 HydrophobicContact CB-CZ3 3.82Å; L145-W149 HydrophobicContact CD1-CB 4.39Å; L145-W149 HydrophobicContact CD1-CD2 4.26Å; L145-W149 HydrophobicContact CD1-CE3 3.88Å; L145-W149 HydrophobicContact CD1-CG 4.49Å; L145-W149 WeakPolarHBondContact O-CB 3.18Å; L145-W149 PolarHBondContact O-N 2.83Å; L145-W149 VanDerWaalsContact O-N 3.11Å; W149-A151 PolarHBondContact O-N 3.4Å; W149-V152 HydrophobicContact CB-CG2 3.92Å; W149-V152 HydrophobicContact CE3-CG2 4.11Å; W149-V152 VanDerWaalsContact O-CB 3.29Å; W149-V152 WeakPolarHBondContact O-CB 3.44Å; W149-V152 PolarHBondContact O-N 3.09Å
150P93.3Very high96.4Very high29 Ų2913.4 Ų13.419%0.1887%0.074CC..THydrogen-bonded Turntrans-53.7-31.4-176.5-2935.9000114.9I8 L10 S148 V152 Q153I8-P150 HydrophobicContact CB-CG 4.4Å; L10-P150 HydrophobicContact CD2-CB 4.24Å; S148-P150 WeakPolarHBondContact O-CD 3.2Å; P150-V152 PolarHBondContact O-N 3.33Å; P150-Q153 VanDerWaalsContact O-CB 3.29Å; P150-Q153 WeakPolarHBondContact O-CB 3.49Å; P150-Q153 WeakPolarHBondContact O-CG 3.3Å; P150-Q153 PolarHBondContact O-N 2.87Å; P150-Q153 VanDerWaalsContact O-N 3.07Å
151A95.3Very high96.4Very high33 Ų3314.4 Ų14.427%0.2738%0.08SC..THydrogen-bonded Turntrans-58.7-28.1176.700000112.9L10 T14 W149 Q153 V154 H155L10-A151 HydrophobicContact CD2-CB 3.98Å; T14-A151 HydrophobicContact CG2-CB 4.37Å; W149-A151 PolarHBondContact O-N 3.4Å; A151-Q153 PolarHBondContact O-N 3.19Å; A151-V154 WeakPolarHBondContact O-CA 3.41Å; A151-V154 WeakPolarHBondContact O-CB 3.36Å; A151-V154 PolarHBondContact O-N 3.42Å; A151-H155 PolarHBondContact O-CD2 3.4Å; A151-H155 PolarHBondContact O-N 3.23Å
152V96.3Very high96.4Very high3 Ų314.7 Ų14.72%0.0188%0.082CC..Hα-helixtrans-60.2-29.7175.9165.80000112.5A115 L145 W149 P150 V154 G156 V157A115-V152 HydrophobicContact CB-CG2 3.41Å; A115-V152 VanDerWaalsContact CB-CG2 3.41Å; L145-V152 HydrophobicContact CD1-CG2 3.88Å; L145-V152 HydrophobicContact CD2-CG1 3.78Å; L145-V152 HydrophobicContact CD2-CG2 4.35Å; L145-V152 HydrophobicContact CG-CB 4.28Å; L145-V152 HydrophobicContact CG-CG1 3.9Å; L145-V152 HydrophobicContact CG-CG2 3.97Å; W149-V152 HydrophobicContact CB-CG2 3.92Å; W149-V152 HydrophobicContact CE3-CG2 4.11Å; W149-V152 VanDerWaalsContact O-CB 3.29Å; W149-V152 WeakPolarHBondContact O-CB 3.44Å; W149-V152 PolarHBondContact O-N 3.09Å; P150-V152 PolarHBondContact O-N 3.33Å; V152-V154 PolarHBondContact O-N 3.01Å; V152-G156 WeakPolarHBondContact O-CA 3.5Å; V152-G156 PolarHBondContact O-N 3.09Å; V152-V157 HydrophobicContact CG1-CG1 3.51Å
153Q96.9Very high96.4Very high11 Ų1114.4 Ų14.45%0.0518%0.08CC..Hα-helixtrans-63.9-24.4176.3-54.217016.800111.1R56 R59 L146 P150 A151 R194R56-Q153 HydrophobicContact CG-CG 4.32Å; R59-Q153 HydrophobicContact CB-CB 4.26Å; L146-Q153 HydrophobicContact CD2-CG 3.97Å; L146-Q153 PolarHBondContact O-NE2 3.02Å; P150-Q153 VanDerWaalsContact O-CB 3.29Å; P150-Q153 WeakPolarHBondContact O-CB 3.49Å; P150-Q153 WeakPolarHBondContact O-CG 3.3Å; P150-Q153 PolarHBondContact O-N 2.87Å; P150-Q153 VanDerWaalsContact O-N 3.07Å; A151-Q153 PolarHBondContact O-N 3.19Å; Q153-R194 WeakPolarHBondContact O-CD 3.32Å; Q153-R194 PolarHBondContact O-NH1 3.4Å; Q153-R194 VanDerWaalsContact O-NH1 3.15Å
154V97.7Very high96.3Very high0 Ų016.7 Ų16.70%010%0.097CC..Hα-helixtrans-95.9-46.1178-177.20000112.8L10 T14 K17 A18 L22 A151 V152 R194L10-V154 HydrophobicContact CD1-CG2 4.09Å; T14-V154 HydrophobicContact CG2-CB 3.88Å; T14-V154 HydrophobicContact CG2-CG1 3.96Å; T14-V154 HydrophobicContact CG2-CG2 4.06Å; K17-V154 HydrophobicContact CB-CG1 4.14Å; K17-V154 HydrophobicContact CD-CG1 4.33Å; K17-V154 HydrophobicContact CG-CG1 4.11Å; A18-V154 HydrophobicContact CB-CG1 3.84Å; A18-V154 HydrophobicContact CB-CG2 3.92Å; L22-V154 HydrophobicContact CD1-CB 4.42Å; L22-V154 HydrophobicContact CD1-CG1 4.29Å; L22-V154 HydrophobicContact CD1-CG2 4.21Å; A151-V154 WeakPolarHBondContact O-CA 3.41Å; A151-V154 WeakPolarHBondContact O-CB 3.36Å; A151-V154 PolarHBondContact O-N 3.42Å; V152-V154 PolarHBondContact O-N 3.01Å; V154-R194 VanDerWaalsContact C-NH1 3.35Å; V154-R194 PolarHBondContact O-NH1 2.91Å
155H97.6Very high96.2Very high19 Ų1919.2 Ų19.29%0.08813%0.125CC..Hα-helixtrans-83.1-34-176.7-62.6-79.5000112.6T14 K17 E112 G113 R114 A151 K196T14-H155 VanDerWaalsContact CG2-NE2 3.34Å; T14-H155 WeakPolarHBondContact CG2-NE2 3.42Å; T14-H155 PolarHBondContact OG1-NE2 3.26Å; T14-H155 VanDerWaalsContact OG1-NE2 3.14Å; K17-H155 PolarHBondContact NZ-ND1 3.26Å; E112-H155 PolarHBondContact O-ND1 3.08Å; G113-H155 VanDerWaalsContact C-CB 3.43Å; G113-H155 WeakPolarHBondContact O-CB 3.27Å; R114-H155 HydrophobicContact CG-CB 4.25Å; A151-H155 PolarHBondContact O-CD2 3.4Å; A151-H155 PolarHBondContact O-N 3.23Å; H155-K196 WeakPolarHBondContact O-CG 3.41Å
156G97.2Very high96.2Very high0 Ų020 Ų200%013%0.128CC..  trans87.9-168.6-174.200000113.3R114 A115 V152 R194R114-G156 WeakPolarHBondContact CA-O 3.49Å; A115-G156 PolarHBondContact N-O 3.48Å; V152-G156 WeakPolarHBondContact O-CA 3.5Å; V152-G156 PolarHBondContact O-N 3.09Å; G156-R194 CarbonylContact C-O 2.89Å; G156-R194 WeakPolarHBondContact CA-O 3.29Å
157V97.8Very high96.2Very high1 Ų122 Ų221%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-125.9146-173.7-52.90000112.2A115 L145 V152 I159 V193 R194 V195 K196A115-V157 CarbonylContact O-C 3.56Å; A115-V157 VanDerWaalsContact O-CA 3.28Å; A115-V157 WeakPolarHBondContact O-CA 3.31Å; L145-V157 HydrophobicContact CD2-CB 4.47Å; L145-V157 HydrophobicContact CD2-CG1 3.37Å; V152-V157 HydrophobicContact CG1-CG1 3.51Å; V157-I159 HydrophobicContact CG2-CG1 4.38Å; V157-V193 HydrophobicContact CB-CG2 4.34Å; V157-V193 HydrophobicContact CG1-CG2 3.66Å; V157-V193 HydrophobicContact CG2-CG2 3.63Å; V157-R194 PolarHBondContact N-O 2.88Å; V157-V195 HydrophobicContact CG2-CB 4.34Å; V157-V195 HydrophobicContact CG2-CG2 4Å; V157-K196 PolarHBondContact O-N 3.03Å
158I98.1Very high96Very high3 Ų327.2 Ų27.22%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-104.2131.9164-61.4-177.2000107.6D110 R114 A115 L116 I117 L160 A197 H199 I240D110-I158 WeakPolarHBondContact OD2-CD1 3.47Å; R114-I158 HydrophobicContact CB-CD1 4.3Å; R114-I158 HydrophobicContact CB-CG1 4.06Å; A115-I158 PolarHBondContact O-N 2.93Å; L116-I158 CarbonylContact C-O 3.49Å; L116-I158 WeakPolarHBondContact CA-O 3.46Å; L116-I158 HydrophobicContact CG-CB 4.34Å; I117-I158 PolarHBondContact N-O 3.38Å; I158-L160 HydrophobicContact CG2-CD2 3.89Å; I158-A197 WeakPolarHBondContact CA-O 3.34Å; I158-A197 HydrophobicContact CG1-CB 4.46Å; I158-A197 HydrophobicContact CG2-CB 4.41Å; I158-H199 VanDerWaalsContact CG2-CD2 3.42Å; I158-H199 WeakPolarHBondContact CG2-CD2 3.22Å; I158-I240 HydrophobicContact CD1-CD1 3.99Å; I158-I240 HydrophobicContact CG2-CD1 4.11Å
159I97.9Very high96Very high24 Ų2434.3 Ų34.312%0.12318%0.181CC..EExtended strand (participates in β ladder)trans-105.9120174.4-56.3173.1000108V157 V161 V195 A197 V198 H199V157-I159 HydrophobicContact CG2-CG1 4.38Å; I159-V161 HydrophobicContact CG2-CG2 3.92Å; I159-V195 HydrophobicContact CD1-CG1 4.13Å; I159-V195 HydrophobicContact CD1-CG2 4.05Å; I159-A197 PolarHBondContact N-O 2.98Å; I159-V198 HydrophobicContact CB-CG1 4.37Å; I159-V198 HydrophobicContact CB-CG2 4.3Å; I159-V198 HydrophobicContact CD1-CG2 4.41Å; I159-V198 CarbonylContact O-C 3.47Å; I159-V198 VanDerWaalsContact O-CA 3.27Å; I159-V198 WeakPolarHBondContact O-CA 3.29Å; I159-H199 PolarHBondContact O-N 3.02Å
160L98.2Very high96Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-95.7120172.6-57-173.3000108.2L106 L116 I117 Y118 F119 I158 H199 F201 I240 L245L106-L160 HydrophobicContact CD1-CD1 3.95Å; L116-L160 HydrophobicContact CD2-CD1 3.94Å; L116-L160 HydrophobicContact CD2-CD2 4.49Å; L116-L160 HydrophobicContact CD2-CG 4.32Å; I117-L160 PolarHBondContact O-N 2.94Å; Y118-L160 HydrophobicContact CD2-CB 3.77Å; Y118-L160 HydrophobicContact CD2-CD1 4.44Å; Y118-L160 HydrophobicContact CE2-CB 4.4Å; F119-L160 PolarHBondContact N-O 2.62Å; I158-L160 HydrophobicContact CG2-CD2 3.89Å; L160-H199 HydrophobicContact CD2-CB 3.87Å; L160-F201 HydrophobicContact CB-CE1 3.96Å; L160-F201 HydrophobicContact CB-CZ 4.27Å; L160-I240 HydrophobicContact CD1-CG2 4.47Å; L160-I240 HydrophobicContact CD2-CD1 4.12Å; L160-I240 HydrophobicContact CD2-CG1 3.89Å; L160-L245 HydrophobicContact CD1-CD2 3.59Å
161V97.2Very high96Very high20 Ų2030.5 Ų30.512%0.12116%0.164CC..EExtended strand (participates in β ladder)trans-113.299179.1-173.90000108.6F119 I159 L163 V198 H199 I200 F201F119-V161 HydrophobicContact CD1-CG1 4.2Å; F119-V161 HydrophobicContact CD1-CG2 4.45Å; F119-V161 WeakPolarHBondContact O-CA 3.4Å; I159-V161 HydrophobicContact CG2-CG2 3.92Å; V161-L163 HydrophobicContact CG1-CD2 3.74Å; V161-L163 HydrophobicContact CG1-CG 4.23Å; V161-V198 HydrophobicContact CG2-CG1 3.87Å; V161-H199 PolarHBondContact N-O 3.39Å; V161-I200 HydrophobicContact CB-CG1 4.07Å; V161-I200 HydrophobicContact CB-CG2 4.5Å; V161-I200 HydrophobicContact CG2-CG1 4.37Å; V161-I200 WeakPolarHBondContact O-CA 3.23Å; V161-F201 PolarHBondContact O-N 3.45Å
162D97.5Very high95.8Very high6 Ų634.6 Ų34.63%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-89.3114.2174.6179.68.9000109.9Y118 F119 R120 P121 S164 F201 N202Y118-D162 HydrophobicContact CE2-CB 3.67Å; Y118-D162 PolarHBondContact OH-OD2 3.4Å; F119-D162 PolarHBondContact O-N 3.09Å; R120-D162 HydrophobicContact CG-CB 4.08Å; P121-D162 WeakPolarHBondContact CD-O 3.18Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.79Å; D162-S164 VanDerWaalsContact OD1-CB 3.23Å; D162-S164 WeakPolarHBondContact OD1-CB 3.38Å; D162-S164 PolarHBondContact OD1-N 3.25Å; D162-S164 PolarHBondContact OD1-OG 3.17Å; D162-S164 PolarHBondContact OD2-OG 2.82Å; D162-F201 HydrophobicContact CB-CD2 4.06Å; D162-F201 HydrophobicContact CB-CE2 3.37Å; D162-F201 HydrophobicContact CB-CZ 3.79Å; D162-N202 WeakPolarHBondContact OD1-CB 3.46Å; D162-N202 PolarHBondContact OD1-ND2 3.14Å
163L96.7Very high95.6Very high5 Ų537.2 Ų37.23%0.02619%0.194CC..  trans-92.216.6-179.5-60.4179.7000113.1P121 V161 G165 F166 I200 F201 N202 F207P121-L163 HydrophobicContact CG-CD2 3.66Å; V161-L163 HydrophobicContact CG1-CD2 3.74Å; V161-L163 HydrophobicContact CG1-CG 4.23Å; L163-G165 PolarHBondContact O-N 3.41Å; L163-F166 HydrophobicContact CB-CB 3.94Å; L163-F166 HydrophobicContact CD2-CB 4.28Å; L163-F166 HydrophobicContact CD2-CD2 4.03Å; L163-F166 HydrophobicContact CD2-CG 4.06Å; L163-F166 WeakPolarHBondContact O-CB 3.3Å; L163-F166 PolarHBondContact O-N 3.49Å; L163-I200 HydrophobicContact CD1-CG2 3.53Å; L163-I200 HydrophobicContact CG-CG2 4.04Å; L163-F201 WeakPolarHBondContact CB-O 3.45Å; L163-F201 PolarHBondContact N-O 2.93Å; L163-N202 CarbonylContact C-O 3.52Å; L163-N202 WeakPolarHBondContact CB-O 3.37Å; L163-F207 HydrophobicContact CD1-CB 4.41Å; L163-F207 HydrophobicContact CD1-CD1 3.54Å; L163-F207 HydrophobicContact CD1-CD2 3.57Å; L163-F207 HydrophobicContact CD1-CE1 3.52Å; L163-F207 HydrophobicContact CD1-CE2 3.57Å; L163-F207 HydrophobicContact CD1-CG 3.56Å; L163-F207 HydrophobicContact CD1-CZ 3.56Å; L163-F207 HydrophobicContact CD2-CE2 4.44Å
164S95.5Very high95.2Very high52 Ų5237.9 Ų37.936%0.36420%0.197SC..THydrogen-bonded Turntrans-54.6129.5167.6-61.40000110.8G122 D162 F166 N202G122-S164 WeakPolarHBondContact CA-O 3.42Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.79Å; D162-S164 VanDerWaalsContact OD1-CB 3.23Å; D162-S164 WeakPolarHBondContact OD1-CB 3.38Å; D162-S164 PolarHBondContact OD1-N 3.25Å; D162-S164 PolarHBondContact OD1-OG 3.17Å; D162-S164 PolarHBondContact OD2-OG 2.82Å; S164-F166 PolarHBondContact O-N 2.86Å; S164-N202 WeakPolarHBondContact OG-CB 3.47Å; S164-N202 PolarHBondContact OG-ND2 3.33Å
165G94.8Very high94.7Very high61 Ų6140.5 Ų40.563%0.62921%0.21SC*.THydrogen-bonded Turntrans73.7-2.4-175.800000115.1L163 H170L163-G165 PolarHBondContact O-N 3.41Å; G165-H170 PolarHBondContact O-CE1 3.37Å
166F95.6Very high94.3Very high17 Ų1741.2 Ų41.28%0.07522%0.217CC..  trans-65.4137.6178.2-167.8-98.2000111.2P121 L163 S164 H170 A171 L174 P204 F207 I210P121-F166 HydrophobicContact CB-CD2 4Å; P121-F166 HydrophobicContact CB-CE2 4.17Å; P121-F166 HydrophobicContact CG-CD2 3.88Å; P121-F166 HydrophobicContact CG-CE2 4.25Å; L163-F166 HydrophobicContact CB-CB 3.94Å; L163-F166 HydrophobicContact CD2-CB 4.28Å; L163-F166 HydrophobicContact CD2-CD2 4.03Å; L163-F166 HydrophobicContact CD2-CG 4.06Å; L163-F166 WeakPolarHBondContact O-CB 3.3Å; L163-F166 PolarHBondContact O-N 3.49Å; S164-F166 PolarHBondContact O-N 2.86Å; F166-H170 HydrophobicContact CD2-CB 3.63Å; F166-H170 HydrophobicContact CE2-CB 3.35Å; F166-H170 HydrophobicContact CG-CB 4.38Å; F166-H170 HydrophobicContact CZ-CB 3.91Å; F166-A171 HydrophobicContact CE1-CB 3.9Å; F166-A171 HydrophobicContact CZ-CB 4Å; F166-L174 HydrophobicContact CE2-CD1 3.72Å; F166-L174 HydrophobicContact CZ-CD1 4.18Å; F166-P204 HydrophobicContact CB-CG 4.43Å; F166-P204 HydrophobicContact CD1-CG 4.13Å; F166-F207 HydrophobicContact CD1-CD2 4.46Å; F166-F207 HydrophobicContact CE1-CD2 4.1Å; F166-I210 HydrophobicContact CE1-CD1 3.95Å
167S94.1Very high93.8Very high43 Ų4345.7 Ų45.730%0.30125%0.247SC..  trans-142.9171.5-170.980.10000111.5R169 H170 A171S167-R169 PolarHBondContact O-N 3.2Å; S167-R169 PolarHBondContact OG-N 3.04Å; S167-H170 PolarHBondContact N-ND1 3.26Å; S167-H170 WeakPolarHBondContact O-CB 3.27Å; S167-H170 PolarHBondContact O-N 3.08Å; S167-H170 VanDerWaalsContact O-N 3.12Å; S167-H170 PolarHBondContact OG-CE1 3.29Å; S167-H170 PolarHBondContact OG-ND1 3.37Å; S167-A171 PolarHBondContact O-N 3.43Å
168W91.8Very high93.2Very high143 Ų14351.2 Ų51.254%0.54227%0.267SS..Hα-helixtrans-56.8-30.7176.4-80.3113.9000114.1A171 I172 M206W168-A171 HydrophobicContact CE3-CB 4.11Å; W168-A171 PolarHBondContact O-N 2.83Å; W168-I172 VanDerWaalsContact O-CG1 3.27Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.96Å; W168-M206 HydrophobicContact CB-CE 4.39Å; W168-M206 HydrophobicContact CB-SD 4.49Å; W168-M206 HydrophobicContact CD2-CE 3.11Å; W168-M206 HydrophobicContact CD2-SD 3.57Å; W168-M206 VanDerWaalsContact CD2-SD 3.57Å; W168-M206 HydrophobicContact CE3-CE 3.22Å; W168-M206 HydrophobicContact CE3-SD 4.29Å; W168-M206 HydrophobicContact CG-CE 3.67Å; W168-M206 HydrophobicContact CG-SD 3.63Å; W168-M206 HydrophobicContact CH2-CB 4.1Å; W168-M206 HydrophobicContact CH2-CE 3.75Å; W168-M206 HydrophobicContact CZ2-CB 3.46Å; W168-M206 VanDerWaalsContact CZ2-CB 3.46Å; W168-M206 HydrophobicContact CZ2-CE 3.69Å; W168-M206 HydrophobicContact CZ2-CG 4.31Å; W168-M206 HydrophobicContact CZ2-SD 4Å; W168-M206 HydrophobicContact CZ3-CE 3.53Å; W168-M206 PolarHBondContact NE1-SD 3.33Å; W168-M206 VanDerWaalsContact NE1-SD 3.36Å
169R93.1Very high92.8Very high186 Ų18652.2 Ų52.270%0.70227%0.272SS*.Hα-helixtrans-66-43.6176.7-67.1-176.9-177.7168.70.3111.4P126 S167 N173P126-R169 HydrophobicContact CG-CB 4.5Å; S167-R169 PolarHBondContact O-N 3.2Å; S167-R169 PolarHBondContact OG-N 3.04Å; R169-N173 PolarHBondContact O-N 3.13Å; R169-N173 PolarHBondContact O-ND2 3.4Å
170H94.3Very high92.2Very high12 Ų1252.2 Ų52.26%0.05627%0.272CS..Hα-helixtrans-63-47.2173.6-52.9103.2000110.7P121 W124 P126 G165 F166 S167 I172 N173 L174P121-H170 PolarHBondContact O-CD2 3.13Å; P121-H170 VanDerWaalsContact O-CD2 3.26Å; W124-H170 AromaticContact CE3-CD2 3.98Å; W124-H170 PolarHBondContact O-CD2 2.91Å; W124-H170 PolarHBondContact O-NE2 3.02Å; P126-H170 VanDerWaalsContact CG-CD2 3.49Å; P126-H170 WeakPolarHBondContact CG-CD2 3.46Å; G165-H170 PolarHBondContact O-CE1 3.37Å; F166-H170 HydrophobicContact CD2-CB 3.63Å; F166-H170 HydrophobicContact CE2-CB 3.35Å; F166-H170 HydrophobicContact CG-CB 4.38Å; F166-H170 HydrophobicContact CZ-CB 3.91Å; S167-H170 PolarHBondContact N-ND1 3.26Å; S167-H170 WeakPolarHBondContact O-CB 3.27Å; S167-H170 PolarHBondContact O-N 3.08Å; S167-H170 VanDerWaalsContact O-N 3.12Å; S167-H170 PolarHBondContact OG-CE1 3.29Å; S167-H170 PolarHBondContact OG-ND1 3.37Å; H170-I172 PolarHBondContact O-N 3.28Å; H170-N173 PolarHBondContact O-N 3.08Å; H170-L174 WeakPolarHBondContact O-CG 3.21Å; H170-L174 PolarHBondContact O-N 3.41Å
171A91.5Very high91.7Very high2 Ų258.4 Ų58.42%0.01730%0.3CS..Hα-helixtrans-55.7-50.5179.700000112.8F166 S167 W168 N173 L174 M175 M206 I210F166-A171 HydrophobicContact CE1-CB 3.9Å; F166-A171 HydrophobicContact CZ-CB 4Å; S167-A171 PolarHBondContact O-N 3.43Å; W168-A171 HydrophobicContact CE3-CB 4.11Å; W168-A171 PolarHBondContact O-N 2.83Å; A171-N173 VanDerWaalsContact C-N 3.29Å; A171-N173 PolarHBondContact O-N 2.84Å; A171-L174 PolarHBondContact O-N 3.04Å; A171-M175 WeakPolarHBondContact O-CB 3.4Å; A171-M175 WeakPolarHBondContact O-CG 3.34Å; A171-M175 PolarHBondContact O-N 2.77Å; A171-M206 HydrophobicContact CB-CE 3.79Å; A171-I210 HydrophobicContact CB-CD1 3.34Å; A171-I210 HydrophobicContact CB-CG1 4.42Å
172I91.6Very high91.2Very high118 Ų11857.7 Ų57.761%0.60530%0.296SS*.Hα-helixtrans-60.8-40.5-178-71.1165000111W168 H170 S176W168-I172 VanDerWaalsContact O-CG1 3.27Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.96Å; H170-I172 PolarHBondContact O-N 3.28Å; I172-S176 PolarHBondContact O-N 3.07Å
173N92.4Very high90.8Very high59 Ų5958.4 Ų58.432%0.31630%0.302SS..Hα-helixtrans-70.4-45.7178.9-77.1-83.2000112.4W124 T131 R169 H170 A171 M175 S176W124-N173 HydrophobicContact CH2-CB 3.56Å; W124-N173 HydrophobicContact CZ2-CB 4.48Å; W124-N173 HydrophobicContact CZ3-CB 4.2Å; T131-N173 HydrophobicContact CG2-CB 3.82Å; R169-N173 PolarHBondContact O-N 3.13Å; R169-N173 PolarHBondContact O-ND2 3.4Å; H170-N173 PolarHBondContact O-N 3.08Å; A171-N173 VanDerWaalsContact C-N 3.29Å; A171-N173 PolarHBondContact O-N 2.84Å; N173-M175 VanDerWaalsContact C-N 3.31Å; N173-M175 PolarHBondContact O-N 3.04Å; N173-S176 WeakPolarHBondContact O-CB 3.25Å; N173-S176 PolarHBondContact O-N 2.95Å; N173-S176 PolarHBondContact O-OG 3.38Å
174L88.9Confident90.2Very high25 Ų2559.9 Ų59.913%0.13131%0.311CS..Hα-helixtrans-70.1-27.3178-63.4179.2000112.7P121 W124 F166 H170 A171 S176 F179 L180P121-L174 HydrophobicContact CB-CD1 4.38Å; W124-L174 HydrophobicContact CZ3-CD2 3.83Å; W124-L174 HydrophobicContact CZ3-CG 4Å; F166-L174 HydrophobicContact CE2-CD1 3.72Å; F166-L174 HydrophobicContact CZ-CD1 4.18Å; H170-L174 WeakPolarHBondContact O-CG 3.21Å; H170-L174 PolarHBondContact O-N 3.41Å; A171-L174 PolarHBondContact O-N 3.04Å; L174-S176 VanDerWaalsContact C-N 3.29Å; L174-F179 HydrophobicContact CB-CD1 4.35Å; L174-F179 HydrophobicContact CB-CE1 4.28Å; L174-F179 HydrophobicContact CD2-CD1 4.13Å; L174-F179 HydrophobicContact CD2-CE1 3.52Å; L174-F179 HydrophobicContact CD2-CE2 4.05Å; L174-F179 HydrophobicContact CD2-CZ 3.46Å; L174-F179 VanDerWaalsContact CD2-CZ 3.46Å; L174-F179 HydrophobicContact CG-CE1 4.47Å; L174-F179 WeakPolarHBondContact O-CD1 3.3Å; L174-L180 WeakPolarHBondContact O-CD2 3.39Å; L174-L180 WeakPolarHBondContact O-CG 3.48Å
175M86.5Confident89.7Confident54 Ų5460 Ų6027%0.26631%0.306SS..THydrogen-bonded Turntrans-85.2-0.2175.9-70.3-63.8-63.500113.2A171 N173 L180 I210 A213 L214A171-M175 WeakPolarHBondContact O-CB 3.4Å; A171-M175 WeakPolarHBondContact O-CG 3.34Å; A171-M175 PolarHBondContact O-N 2.77Å; N173-M175 VanDerWaalsContact C-N 3.31Å; N173-M175 PolarHBondContact O-N 3.04Å; M175-L180 HydrophobicContact CE-CD1 4.03Å; M175-L180 WeakPolarHBondContact O-CD1 3.2Å; M175-L180 HydrophobicContact SD-CD1 4.16Å; M175-L180 HydrophobicContact SD-CD2 4.33Å; M175-I210 HydrophobicContact CG-CG2 4.14Å; M175-I210 HydrophobicContact SD-CG2 3.74Å; M175-A213 HydrophobicContact CE-CB 3.9Å; M175-L214 HydrophobicContact CE-CD2 4.08Å; M175-L214 HydrophobicContact CE-CG 4.31Å; M175-L214 HydrophobicContact SD-CD1 4Å; M175-L214 HydrophobicContact SD-CD2 3.47Å; M175-L214 WeakPolarHBondContact SD-CD2 3.32Å; M175-L214 HydrophobicContact SD-CG 3.65Å
176S89.2Confident89.3Confident34 Ų3457.7 Ų57.724%0.23828%0.279CS..SBendtrans-57.8132.8174.668.50000109.1I172 N173 L174 W178 F179 L180I172-S176 PolarHBondContact O-N 3.07Å; N173-S176 WeakPolarHBondContact O-CB 3.25Å; N173-S176 PolarHBondContact O-N 2.95Å; N173-S176 PolarHBondContact O-OG 3.38Å; L174-S176 VanDerWaalsContact C-N 3.29Å; S176-W178 PolarHBondContact O-N 3.44Å; S176-F179 PolarHBondContact O-N 2.9Å; S176-F179 VanDerWaalsContact OG-CB 3.23Å; S176-F179 WeakPolarHBondContact OG-CB 3.37Å; S176-F179 PolarHBondContact OG-N 3.21Å; S176-L180 WeakPolarHBondContact O-CG 3.43Å; S176-L180 PolarHBondContact O-N 2.88Å
177P86.4Confident88.6Confident95 Ų9560.6 Ų60.662%0.61730%0.295SS*.Hα-helixtrans-51.8-38.8-178.1-29.735000112L180 H181P177-L180 PolarHBondContact O-N 3.43Å; P177-H181 WeakPolarHBondContact O-CB 3.47Å; P177-H181 PolarHBondContact O-N 3.33Å; P177-H181 PolarHBondContact O-ND1 3.33Å
178W86.2Confident88Confident116 Ų11660.5 Ų60.544%0.43929%0.289SS..Hα-helixtrans-62.5-45.7178.9-173.894.7000113.4D84 N132 S176 R182D84-W178 WeakPolarHBondContact OD2-CH2 3.21Å; D84-W178 WeakPolarHBondContact OD2-CZ2 3.29Å; N132-W178 WeakPolarHBondContact OD1-CH2 3.47Å; N132-W178 WeakPolarHBondContact OD1-CZ3 3.39Å; S176-W178 PolarHBondContact O-N 3.44Å; W178-R182 VanDerWaalsContact CD2-NE 3.31Å; W178-R182 WeakPolarHBondContact O-CD 3.28Å; W178-R182 WeakPolarHBondContact O-CG 3.39Å; W178-R182 PolarHBondContact O-N 3.06Å
179F88.4Confident87.4Confident25 Ų2554.6 Ų54.611%0.1127%0.273CS..Hα-helixtrans-66.4-44.2175.5-177.2-90.5000111.5T131 F135 L174 S176 H181 R182 A183T131-F179 HydrophobicContact CG2-CD2 4.14Å; F135-F179 HydrophobicContact CB-CE2 4.27Å; F135-F179 HydrophobicContact CD2-CD2 4.37Å; F135-F179 AromaticContact CD2-CE2 3.86Å; F135-F179 HydrophobicContact CD2-CE2 3.86Å; F135-F179 HydrophobicContact CD2-CZ 4.3Å; L174-F179 HydrophobicContact CB-CD1 4.35Å; L174-F179 HydrophobicContact CB-CE1 4.28Å; L174-F179 HydrophobicContact CD2-CD1 4.13Å; L174-F179 HydrophobicContact CD2-CE1 3.52Å; L174-F179 HydrophobicContact CD2-CE2 4.05Å; L174-F179 HydrophobicContact CD2-CZ 3.46Å; L174-F179 VanDerWaalsContact CD2-CZ 3.46Å; L174-F179 HydrophobicContact CG-CE1 4.47Å; L174-F179 WeakPolarHBondContact O-CD1 3.3Å; S176-F179 PolarHBondContact O-N 2.9Å; S176-F179 VanDerWaalsContact OG-CB 3.23Å; S176-F179 WeakPolarHBondContact OG-CB 3.37Å; S176-F179 PolarHBondContact OG-N 3.21Å; F179-H181 PolarHBondContact O-N 3.1Å; F179-R182 WeakPolarHBondContact O-CB 3.23Å; F179-R182 PolarHBondContact O-N 3.32Å; F179-A183 HydrophobicContact CE1-CB 4.26Å; F179-A183 WeakPolarHBondContact O-CB 3.31Å; F179-A183 PolarHBondContact O-N 3.34Å
180L87Confident87Confident23 Ų2345.7 Ų45.712%0.1224%0.239CC..Hα-helixtrans-60-45.6-179.9-68.2-176.9000112.4L174 M175 S176 P177 R182 A183 V184 L214 L217L174-L180 WeakPolarHBondContact O-CD2 3.39Å; L174-L180 WeakPolarHBondContact O-CG 3.48Å; M175-L180 HydrophobicContact CE-CD1 4.03Å; M175-L180 WeakPolarHBondContact O-CD1 3.2Å; M175-L180 HydrophobicContact SD-CD1 4.16Å; M175-L180 HydrophobicContact SD-CD2 4.33Å; S176-L180 WeakPolarHBondContact O-CG 3.43Å; S176-L180 PolarHBondContact O-N 2.88Å; P177-L180 PolarHBondContact O-N 3.43Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.33Å; L180-A183 PolarHBondContact O-N 2.95Å; L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 VanDerWaalsContact O-CG2 3.23Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.49Å; L180-L214 HydrophobicContact CD1-CD2 4.04Å; L180-L214 HydrophobicContact CD2-CD2 3.32Å; L180-L214 HydrophobicContact CG-CD2 4.33Å; L180-L217 HydrophobicContact CB-CD1 4.44Å; L180-L217 HydrophobicContact CD1-CD1 4.09Å
181H86.1Confident86.8Confident130 Ų13045.7 Ų45.760%0.60224%0.24SC*.Hα-helixtrans-60.6-40.5178.3-78.380000111.6P177 F179 H185P177-H181 WeakPolarHBondContact O-CB 3.47Å; P177-H181 PolarHBondContact O-N 3.33Å; P177-H181 PolarHBondContact O-ND1 3.33Å; F179-H181 PolarHBondContact O-N 3.1Å; H181-H185 VanDerWaalsContact O-CB 3.32Å; H181-H185 WeakPolarHBondContact O-CB 3.46Å; H181-H185 PolarHBondContact O-N 3.13Å
182R88.4Confident87Confident6 Ų645.7 Ų45.72%0.02324%0.241CC..Hα-helixtrans-64.7-49.3176.4-70.5165.8176.7-136.6-16.1112.2Y82 D84 N132 F135 W178 F179 L180 V184 H185 F186Y82-R182 HydrophobicContact CD1-CG 3.92Å; Y82-R182 HydrophobicContact CD2-CG 4.15Å; Y82-R182 HydrophobicContact CE1-CG 3.63Å; Y82-R182 HydrophobicContact CE2-CB 4.48Å; Y82-R182 HydrophobicContact CE2-CG 3.88Å; Y82-R182 HydrophobicContact CG-CG 4.16Å; D84-R182 IonicContact OD1-CZ 3.64Å; D84-R182 IonicContact OD1-NH1 3Å; D84-R182 PolarHBondContact OD1-NH1 3.2Å; D84-R182 IonicContact OD1-NH2 2.86Å; D84-R182 PolarHBondContact OD1-NH2 3.45Å; D84-R182 IonicContact OD2-CZ 2.58Å; D84-R182 VanDerWaalsContact OD2-CZ 3.25Å; D84-R182 IonicContact OD2-NH1 3.92Å; D84-R182 PolarHBondContact OD2-NH1 3.49Å; D84-R182 IonicContact OD2-NH2 3.4Å; D84-R182 PolarHBondContact OD2-NH2 3.2Å; N132-R182 PolarHBondContact OD1-NH1 3.16Å; F135-R182 HydrophobicContact CD2-CB 4.41Å; F135-R182 HydrophobicContact CE2-CB 3.71Å; F135-R182 HydrophobicContact CZ-CB 4.01Å; W178-R182 VanDerWaalsContact CD2-NE 3.31Å; W178-R182 WeakPolarHBondContact O-CD 3.28Å; W178-R182 WeakPolarHBondContact O-CG 3.39Å; W178-R182 PolarHBondContact O-N 3.06Å; F179-R182 WeakPolarHBondContact O-CB 3.23Å; F179-R182 PolarHBondContact O-N 3.32Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.33Å; R182-V184 VanDerWaalsContact C-N 3.33Å; R182-V184 PolarHBondContact O-N 3.45Å; R182-H185 PolarHBondContact O-N 3.18Å; R182-F186 VanDerWaalsContact O-CB 3.32Å; R182-F186 WeakPolarHBondContact O-CB 3.35Å; R182-F186 PolarHBondContact O-N 2.95Å
183A87.3Confident87.2Confident21 Ų2141.1 Ų41.117%0.17422%0.218CC..Hα-helixtrans-61.9-43.2-179.200000111.1F135 F179 L180 F186 L187F135-A183 HydrophobicContact CE2-CB 4.21Å; F179-A183 HydrophobicContact CE1-CB 4.26Å; F179-A183 WeakPolarHBondContact O-CB 3.31Å; F179-A183 PolarHBondContact O-N 3.34Å; L180-A183 PolarHBondContact O-N 2.95Å; A183-F186 PolarHBondContact O-N 3.25Å; A183-L187 VanDerWaalsContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CB 3.29Å; A183-L187 VanDerWaalsContact O-CG 3.24Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 2.73Å
184V85.6Confident87.3Confident36 Ų3639.8 Ų39.822%0.21821%0.208CC..Hα-helixtrans-63.5-46.2175.9170.60000111.2L180 R182 F186 L187 Q188 L217L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 VanDerWaalsContact O-CG2 3.23Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.49Å; R182-V184 VanDerWaalsContact C-N 3.33Å; R182-V184 PolarHBondContact O-N 3.45Å; V184-F186 VanDerWaalsContact C-N 3.35Å; V184-F186 PolarHBondContact O-N 3.09Å; V184-L187 PolarHBondContact O-N 2.88Å; V184-Q188 HydrophobicContact CG1-CG 4.41Å; V184-Q188 VanDerWaalsContact O-CB 3.31Å; V184-Q188 WeakPolarHBondContact O-CB 3.37Å; V184-Q188 WeakPolarHBondContact O-CG 3.46Å; V184-Q188 PolarHBondContact O-N 2.99Å; V184-L217 HydrophobicContact CG2-CB 4.06Å
185H84Confident87.6Confident54 Ų5439.3 Ų39.325%0.2521%0.207CC..Hα-helixtrans-63.9-41.2179.8-164-99.1000111.9L78 H181 R182 G189 S190L78-H185 HydrophobicContact CD1-CB 4.19Å; L78-H185 WeakPolarHBondContact CD1-ND1 3.48Å; H181-H185 VanDerWaalsContact O-CB 3.32Å; H181-H185 WeakPolarHBondContact O-CB 3.46Å; H181-H185 PolarHBondContact O-N 3.13Å; R182-H185 PolarHBondContact O-N 3.18Å; H185-G189 PolarHBondContact O-N 3.17Å; H185-S190 VanDerWaalsContact C-OG 3.32Å; H185-S190 PolarHBondContact O-OG 3.49Å
186F86.8Confident88Confident13 Ų1339.5 Ų39.56%0.05721%0.206CC..Hα-helixtrans-60.9-52.9174.3-178.3-106.9000112L78 F135 V139 I142 R182 A183 V184 Q188 S190 S191L78-F186 HydrophobicContact CD2-CB 4.45Å; L78-F186 HydrophobicContact CD2-CD2 3.76Å; F135-F186 HydrophobicContact CE1-CB 4.5Å; F135-F186 HydrophobicContact CE1-CG 4.44Å; F135-F186 HydrophobicContact CZ-CB 3.74Å; F135-F186 HydrophobicContact CZ-CD1 4.5Å; F135-F186 HydrophobicContact CZ-CG 4.06Å; V139-F186 HydrophobicContact CB-CZ 4.48Å; V139-F186 HydrophobicContact CG1-CE2 4.41Å; V139-F186 HydrophobicContact CG2-CD2 4.33Å; V139-F186 HydrophobicContact CG2-CE2 3.8Å; V139-F186 HydrophobicContact CG2-CZ 3.89Å; I142-F186 HydrophobicContact CD1-CE1 3.41Å; I142-F186 VanDerWaalsContact CD1-CE1 3.41Å; I142-F186 HydrophobicContact CD1-CZ 3.6Å; I142-F186 HydrophobicContact CG2-CZ 4.44Å; R182-F186 VanDerWaalsContact O-CB 3.32Å; R182-F186 WeakPolarHBondContact O-CB 3.35Å; R182-F186 PolarHBondContact O-N 2.95Å; A183-F186 PolarHBondContact O-N 3.25Å; V184-F186 VanDerWaalsContact C-N 3.35Å; V184-F186 PolarHBondContact O-N 3.09Å; F186-Q188 PolarHBondContact O-N 2.91Å; F186-S190 WeakPolarHBondContact CA-OG 3.39Å; F186-S191 PolarHBondContact O-N 2.92Å
187L80Confident88.4Confident78 Ų7838.5 Ų38.541%0.40820%0.2SC..Hα-helixtrans-68.4-30.2-176.6-72.9171.5000114.4A183 V184A183-L187 VanDerWaalsContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CB 3.29Å; A183-L187 VanDerWaalsContact O-CG 3.24Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 2.73Å; V184-L187 PolarHBondContact O-N 2.88Å
188Q82Confident88.9Confident40 Ų4035.3 Ų35.319%0.18718%0.179CC..Hα-helixtrans-105.9-2-167.8-66-168.417.800116.6V184 F186 L217 L218 K219V184-Q188 HydrophobicContact CG1-CG 4.41Å; V184-Q188 VanDerWaalsContact O-CB 3.31Å; V184-Q188 WeakPolarHBondContact O-CB 3.37Å; V184-Q188 WeakPolarHBondContact O-CG 3.46Å; V184-Q188 PolarHBondContact O-N 2.99Å; F186-Q188 PolarHBondContact O-N 2.91Å; Q188-L217 PolarHBondContact NE2-O 2.99Å; Q188-L218 VanDerWaalsContact NE2-CA 3.28Å; Q188-K219 HydrophobicContact CG-CD 4.5Å; Q188-K219 VanDerWaalsContact NE2-N 3.19Å; Q188-K219 PolarHBondContact O-NZ 2.92Å; Q188-K219 VanDerWaalsContact OE1-CG 3.31Å
189G79.3Confident89.5Confident19 Ų1930.5 Ų30.520%0.19616%0.161CC..Hα-helixtrans-176.95.4-174.100000118.6L71 N74 H185L71-G189 VanDerWaalsContact CD1-O 3.28Å; L71-G189 WeakPolarHBondContact CD1-O 3.34Å; N74-G189 WeakPolarHBondContact CB-O 3.46Å; N74-G189 PolarHBondContact ND2-O 3.04Å; N74-G189 VanDerWaalsContact ND2-O 3.17Å; H185-G189 PolarHBondContact O-N 3.17Å
190S84.9Confident89.9Confident0 Ų029.9 Ų29.90%016%0.159CC..THydrogen-bonded Turntrans-135.10.2-175.454.40000115.3N74 Y75 L78 H185 F186N74-S190 WeakPolarHBondContact O-CB 3.48Å; Y75-S190 WeakPolarHBondContact CA-O 3.42Å; Y75-S190 WeakPolarHBondContact CB-O 3.37Å; Y75-S190 VanDerWaalsContact CD2-O 3.27Å; Y75-S190 WeakPolarHBondContact CD2-O 3.46Å; L78-S190 WeakPolarHBondContact CD2-OG 3.34Å; H185-S190 VanDerWaalsContact C-OG 3.32Å; H185-S190 PolarHBondContact O-OG 3.49Å; F186-S190 WeakPolarHBondContact CA-OG 3.39Å
191S91Very high90.4Very high11 Ų1129 Ų298%0.07715%0.154CC..  trans-115.8139.2167.3178.10000111.1F186 V193F186-S191 PolarHBondContact O-N 2.92Å; S191-V193 PolarHBondContact O-N 2.8Å; S191-V193 WeakPolarHBondContact OG-CG1 3.45Å; S191-V193 PolarHBondContact OG-N 3.35Å
192P95Very high90.8Very high3 Ų324.7 Ų24.72%0.01914%0.135CC..  trans-76.29174.232.7-34.4000113.7R56 F57 A60 L71 L146R56-P192 HydrophobicContact CB-CB 3.9Å; R56-P192 HydrophobicContact CB-CG 3.95Å; F57-P192 HydrophobicContact CD1-CB 4.32Å; F57-P192 HydrophobicContact CE1-CB 4.44Å; F57-P192 HydrophobicContact CE1-CG 4.33Å; F57-P192 HydrophobicContact CZ-CG 4.37Å; A60-P192 HydrophobicContact CB-CB 3.88Å; A60-P192 VanDerWaalsContact CB-O 3.31Å; A60-P192 WeakPolarHBondContact CB-O 3.43Å; L71-P192 HydrophobicContact CD2-CB 4.05Å; L146-P192 HydrophobicContact CD1-CG 3.78Å
193V95Very high91Very high21 Ų2125.3 Ų25.313%0.12714%0.141CC..  trans-70.6140.2175.275.20000112.2I142 V157 S191 V195I142-V193 HydrophobicContact CG2-CB 3.91Å; I142-V193 HydrophobicContact CG2-CG1 4.28Å; I142-V193 HydrophobicContact CG2-CG2 4.24Å; V157-V193 HydrophobicContact CB-CG2 4.34Å; V157-V193 HydrophobicContact CG1-CG2 3.66Å; V157-V193 HydrophobicContact CG2-CG2 3.63Å; S191-V193 PolarHBondContact O-N 2.8Å; S191-V193 WeakPolarHBondContact OG-CG1 3.45Å; S191-V193 PolarHBondContact OG-N 3.35Å; V193-V195 HydrophobicContact CG1-CG2 4.3Å
194R94.9Very high91.2Very high31 Ų3126.1 Ų26.112%0.11714%0.144CC..  trans-105.287.7175.9-69.6173.663.6-153.8-4.2110.4E21 Q153 V154 G156 V157 K196E21-R194 IonicContact OE2-NH2 2.76Å; E21-R194 PolarHBondContact OE2-NH2 3.42Å; Q153-R194 WeakPolarHBondContact O-CD 3.32Å; Q153-R194 PolarHBondContact O-NH1 3.4Å; Q153-R194 VanDerWaalsContact O-NH1 3.15Å; V154-R194 VanDerWaalsContact C-NH1 3.35Å; V154-R194 PolarHBondContact O-NH1 2.91Å; G156-R194 CarbonylContact C-O 2.89Å; G156-R194 WeakPolarHBondContact CA-O 3.29Å; V157-R194 PolarHBondContact N-O 2.88Å; R194-K196 PolarHBondContact O-N 3.36Å
195V94.8Very high91.3Very high16 Ų1634.8 Ų34.810%0.09718%0.175CC..EExtended strand (participates in β ladder)trans-63.8124.1173.1-175.10000109.5V157 I159 V193 V198 R225V157-V195 HydrophobicContact CG2-CB 4.34Å; V157-V195 HydrophobicContact CG2-CG2 4Å; I159-V195 HydrophobicContact CD1-CG1 4.13Å; I159-V195 HydrophobicContact CD1-CG2 4.05Å; V193-V195 HydrophobicContact CG1-CG2 4.3Å; V195-V198 HydrophobicContact CG1-CG2 3.78Å; V195-R225 PolarHBondContact O-NE 3.24Å; V195-R225 PolarHBondContact O-NH1 2.71Å; V195-R225 PolarHBondContact O-NH2 3.11Å; V195-R225 VanDerWaalsContact O-NH2 3.13Å
196K96.5Very high91.5Very high57 Ų5733.4 Ų33.425%0.24817%0.168CC..EExtended strand (participates in β ladder)trans-101.3-38.9180-63.5-65.3-62.8-161.30111.5R114 H155 V157 R194 R225R114-K196 HydrophobicContact CG-CG 4.39Å; H155-K196 WeakPolarHBondContact O-CG 3.41Å; V157-K196 PolarHBondContact O-N 3.03Å; R194-K196 PolarHBondContact O-N 3.36Å; K196-R225 WeakPolarHBondContact O-CG 3.46Å
197A97.4Very high91.7Very high14 Ų1433.6 Ų33.612%0.11617%0.169CC..EExtended strand (participates in β ladder)trans-151.5155.8174.900000110.9I158 I159 H199 R225I158-A197 WeakPolarHBondContact CA-O 3.34Å; I158-A197 HydrophobicContact CG1-CB 4.46Å; I158-A197 HydrophobicContact CG2-CB 4.41Å; I159-A197 PolarHBondContact N-O 2.98Å; A197-H199 VanDerWaalsContact CB-NE2 3.33Å; A197-H199 WeakPolarHBondContact CB-NE2 3.26Å; A197-R225 CarbonylContact C-O 3.32Å; A197-R225 WeakPolarHBondContact CA-O 3.19Å
198V96.9Very high92.1Very high28 Ų2832.9 Ų32.917%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-127.6108.3169.5-176.50000107.1I159 V161 V195 I200 R225 V226 V227I159-V198 HydrophobicContact CB-CG1 4.37Å; I159-V198 HydrophobicContact CB-CG2 4.3Å; I159-V198 HydrophobicContact CD1-CG2 4.41Å; I159-V198 CarbonylContact O-C 3.47Å; I159-V198 VanDerWaalsContact O-CA 3.27Å; I159-V198 WeakPolarHBondContact O-CA 3.29Å; V161-V198 HydrophobicContact CG2-CG1 3.87Å; V195-V198 HydrophobicContact CG1-CG2 3.78Å; V198-I200 HydrophobicContact CG1-CG1 4.17Å; V198-R225 PolarHBondContact N-O 3.08Å; V198-V226 HydrophobicContact CB-CG2 4.37Å; V198-V226 CarbonylContact O-C 3.58Å; V198-V226 WeakPolarHBondContact O-CA 3.09Å; V198-V227 PolarHBondContact O-N 2.8Å
199H97.9Very high92.4Very high14 Ų1438.3 Ų38.37%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-96.6120.5179.2-64.5-97.3000108.8I158 I159 L160 V161 A197 V227 H229I158-H199 VanDerWaalsContact CG2-CD2 3.42Å; I158-H199 WeakPolarHBondContact CG2-CD2 3.22Å; I159-H199 PolarHBondContact O-N 3.02Å; L160-H199 HydrophobicContact CD2-CB 3.87Å; V161-H199 PolarHBondContact N-O 3.39Å; A197-H199 VanDerWaalsContact CB-NE2 3.33Å; A197-H199 WeakPolarHBondContact CB-NE2 3.26Å; H199-V227 CarbonylContact C-O 3.54Å; H199-V227 WeakPolarHBondContact CA-O 2.98Å; H199-H229 AromaticContact CE1-NE2 3.88Å; H199-H229 AromaticContact CG-NE2 3.58Å; H199-H229 AromaticContact ND1-CD2 3.87Å; H199-H229 AromaticContact ND1-CE1 3.67Å; H199-H229 AromaticContact ND1-NE2 2.79Å; H199-H229 PolarHBondContact ND1-NE2 3.05Å
200I97.3Very high92.8Very high13 Ų1338 Ų387%0.06719%0.188CC..EExtended strand (participates in β ladder)trans-112.1129.2180-53.6174.3000108.6V161 L163 V198 F207 V226 V227 M228 H229V161-I200 HydrophobicContact CB-CG1 4.07Å; V161-I200 HydrophobicContact CB-CG2 4.5Å; V161-I200 HydrophobicContact CG2-CG1 4.37Å; V161-I200 WeakPolarHBondContact O-CA 3.23Å; L163-I200 HydrophobicContact CD1-CG2 3.53Å; L163-I200 HydrophobicContact CG-CG2 4.04Å; V198-I200 HydrophobicContact CG1-CG1 4.17Å; I200-F207 HydrophobicContact CD1-CE1 4.25Å; I200-F207 HydrophobicContact CD1-CZ 4.38Å; I200-F207 HydrophobicContact CG2-CE1 3.8Å; I200-F207 HydrophobicContact CG2-CZ 4.29Å; I200-V226 HydrophobicContact CD1-CG1 3.53Å; I200-V226 HydrophobicContact CG1-CG1 4.17Å; I200-V227 PolarHBondContact N-O 3.32Å; I200-M228 HydrophobicContact CB-SD 3.59Å; I200-M228 VanDerWaalsContact CB-SD 3.59Å; I200-M228 HydrophobicContact CD1-CE 3.95Å; I200-M228 HydrophobicContact CD1-SD 4.03Å; I200-M228 HydrophobicContact CG1-SD 4.33Å; I200-M228 HydrophobicContact CG2-CE 4.46Å; I200-M228 HydrophobicContact CG2-SD 3.78Å; I200-H229 PolarHBondContact O-N 2.82Å
201F97.1Very high93.1Very high3 Ų340.9 Ų40.91%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-146.9170.6-177.652.4-88.9000111.3Y118 L160 V161 D162 L163 S203 H229 N230 L236 L251Y118-F201 HydrophobicContact CE2-CE2 4.36Å; Y118-F201 AromaticContact CE2-CZ 3.81Å; Y118-F201 HydrophobicContact CE2-CZ 3.81Å; L160-F201 HydrophobicContact CB-CE1 3.96Å; L160-F201 HydrophobicContact CB-CZ 4.27Å; V161-F201 PolarHBondContact O-N 3.45Å; D162-F201 HydrophobicContact CB-CD2 4.06Å; D162-F201 HydrophobicContact CB-CE2 3.37Å; D162-F201 HydrophobicContact CB-CZ 3.79Å; L163-F201 WeakPolarHBondContact CB-O 3.45Å; L163-F201 PolarHBondContact N-O 2.93Å; F201-S203 PolarHBondContact O-N 3.06Å; F201-H229 HydrophobicContact CB-CB 4.07Å; F201-N230 CarbonylContact C-O 3.59Å; F201-N230 WeakPolarHBondContact CA-O 3.19Å; F201-L236 HydrophobicContact CD1-CD1 3.8Å; F201-L236 HydrophobicContact CD1-CD2 4.06Å; F201-L236 HydrophobicContact CD2-CD2 4.03Å; F201-L236 HydrophobicContact CE1-CD1 3.95Å; F201-L236 HydrophobicContact CE1-CD2 4.14Å; F201-L236 HydrophobicContact CE2-CD2 4.11Å; F201-L236 HydrophobicContact CG-CD1 4.42Å; F201-L236 HydrophobicContact CG-CD2 3.99Å; F201-L236 HydrophobicContact CZ-CD2 4.14Å; F201-L251 HydrophobicContact CD2-CD2 3.94Å; F201-L251 HydrophobicContact CE2-CD1 3.67Å; F201-L251 HydrophobicContact CE2-CD2 3.58Å; F201-L251 HydrophobicContact CE2-CG 4.27Å; F201-L251 HydrophobicContact CZ-CD1 3.94Å
202N95.2Very high93.1Very high40 Ų4044.1 Ų44.121%0.21422%0.222CC..SBendtrans5232.8-170.7-61.4-35.3000113D162 L163 S164 N230D162-N202 WeakPolarHBondContact OD1-CB 3.46Å; D162-N202 PolarHBondContact OD1-ND2 3.14Å; L163-N202 CarbonylContact C-O 3.52Å; L163-N202 WeakPolarHBondContact CB-O 3.37Å; S164-N202 WeakPolarHBondContact OG-CB 3.47Å; S164-N202 PolarHBondContact OG-ND2 3.33Å; N202-N230 PolarHBondContact N-O 3.04Å
203S92.1Very high92.7Very high20 Ų2046.6 Ų46.614%0.1424%0.242CC..  trans-69.7123.3-177.358.10000111.6F201 N230F201-S203 PolarHBondContact O-N 3.06Å; S203-N230 PolarHBondContact OG-OD1 3.02Å
204P91.6Very high92.3Very high38 Ų3847.6 Ų47.625%0.24725%0.247CC..  trans-67.7156.1173.928.6-34.8000110.8F166 M206 F207F166-P204 HydrophobicContact CB-CG 4.43Å; F166-P204 HydrophobicContact CD1-CG 4.13Å; P204-M206 HydrophobicContact CB-CG 4.09Å; P204-M206 HydrophobicContact CG-CG 3.98Å; P204-M206 PolarHBondContact O-N 3.37Å; P204-F207 HydrophobicContact CG-CB 4.23Å; P204-F207 WeakPolarHBondContact O-CB 3.29Å; P204-F207 PolarHBondContact O-N 3.24Å
205Y88.2Confident92.1Very high217 Ų21747.3 Ų47.385%0.85125%0.247SC*.THydrogen-bonded Turntrans-49-40.4-176.7176-104.4000113.9F207 S208Y205-F207 PolarHBondContact O-N 3.02Å; Y205-S208 PolarHBondContact O-OG 2.9Å
206M86.6Confident91.9Very high25 Ų2551.1 Ų51.112%0.12327%0.272CS..THydrogen-bonded Turntrans-61.9-24.1177.857.1167.6-74.900114.6W168 A171 P204 S208 K209 I210W168-M206 HydrophobicContact CB-CE 4.39Å; W168-M206 HydrophobicContact CB-SD 4.49Å; W168-M206 HydrophobicContact CD2-CE 3.11Å; W168-M206 HydrophobicContact CD2-SD 3.57Å; W168-M206 VanDerWaalsContact CD2-SD 3.57Å; W168-M206 HydrophobicContact CE3-CE 3.22Å; W168-M206 HydrophobicContact CE3-SD 4.29Å; W168-M206 HydrophobicContact CG-CE 3.67Å; W168-M206 HydrophobicContact CG-SD 3.63Å; W168-M206 HydrophobicContact CH2-CB 4.1Å; W168-M206 HydrophobicContact CH2-CE 3.75Å; W168-M206 HydrophobicContact CZ2-CB 3.46Å; W168-M206 VanDerWaalsContact CZ2-CB 3.46Å; W168-M206 HydrophobicContact CZ2-CE 3.69Å; W168-M206 HydrophobicContact CZ2-CG 4.31Å; W168-M206 HydrophobicContact CZ2-SD 4Å; W168-M206 HydrophobicContact CZ3-CE 3.53Å; W168-M206 PolarHBondContact NE1-SD 3.33Å; W168-M206 VanDerWaalsContact NE1-SD 3.36Å; A171-M206 HydrophobicContact CB-CE 3.79Å; P204-M206 HydrophobicContact CB-CG 4.09Å; P204-M206 HydrophobicContact CG-CG 3.98Å; P204-M206 PolarHBondContact O-N 3.37Å; M206-S208 PolarHBondContact O-N 2.92Å; M206-K209 PolarHBondContact O-N 3.28Å; M206-I210 HydrophobicContact CE-CD1 3.51Å
207F91.3Very high91.5Very high17 Ų1752.3 Ų52.38%0.07528%0.281CS..Hα-helixtrans-66.1-25.3-173.9-172.3-105.6000112.7L163 F166 I200 P204 Y205 K209 I210 Y211 M228L163-F207 HydrophobicContact CD1-CB 4.41Å; L163-F207 HydrophobicContact CD1-CD1 3.54Å; L163-F207 HydrophobicContact CD1-CD2 3.57Å; L163-F207 HydrophobicContact CD1-CE1 3.52Å; L163-F207 HydrophobicContact CD1-CE2 3.57Å; L163-F207 HydrophobicContact CD1-CG 3.56Å; L163-F207 HydrophobicContact CD1-CZ 3.56Å; L163-F207 HydrophobicContact CD2-CE2 4.44Å; F166-F207 HydrophobicContact CD1-CD2 4.46Å; F166-F207 HydrophobicContact CE1-CD2 4.1Å; I200-F207 HydrophobicContact CD1-CE1 4.25Å; I200-F207 HydrophobicContact CD1-CZ 4.38Å; I200-F207 HydrophobicContact CG2-CE1 3.8Å; I200-F207 HydrophobicContact CG2-CZ 4.29Å; P204-F207 HydrophobicContact CG-CB 4.23Å; P204-F207 WeakPolarHBondContact O-CB 3.29Å; P204-F207 PolarHBondContact O-N 3.24Å; Y205-F207 PolarHBondContact O-N 3.02Å; F207-K209 PolarHBondContact O-N 2.86Å; F207-I210 HydrophobicContact CD2-CB 4.09Å; F207-I210 HydrophobicContact CD2-CD1 4.18Å; F207-I210 HydrophobicContact CD2-CG2 4.16Å; F207-I210 HydrophobicContact CE2-CB 4.37Å; F207-I210 HydrophobicContact CE2-CG2 3.97Å; F207-I210 WeakPolarHBondContact O-CB 3.31Å; F207-I210 PolarHBondContact O-N 3.39Å; F207-I210 VanDerWaalsContact O-N 3.08Å; F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 3.13Å; F207-M228 HydrophobicContact CD1-CE 3.92Å; F207-M228 HydrophobicContact CE1-CE 3.44Å; F207-M228 VanDerWaalsContact CE1-CE 3.44Å; F207-M228 HydrophobicContact CE1-SD 4.3Å
208S88.8Confident91Very high64 Ų6453.1 Ų53.145%0.44828%0.283SS..Hα-helixtrans-52.8-40.6174.256.90000113.1Y205 M206 S212Y205-S208 PolarHBondContact O-OG 2.9Å; M206-S208 PolarHBondContact O-N 2.92Å; S208-S212 WeakPolarHBondContact O-CB 2.95Å; S208-S212 PolarHBondContact O-N 3.42Å; S208-S212 PolarHBondContact O-OG 3.27Å
209K87.6Confident90.6Very high153 Ų15357.1 Ų57.167%0.66530%0.298SS*.Hα-helixtrans-70.2-41.6177.1-63.3-172.4-179.4-176.80111.9M206 F207 S212 A213M206-K209 PolarHBondContact O-N 3.28Å; F207-K209 PolarHBondContact O-N 2.86Å; K209-S212 PolarHBondContact O-N 2.96Å; K209-A213 PolarHBondContact O-N 3.48Å; K209-A213 VanDerWaalsContact O-N 3.08Å
210I88.9Confident90.3Very high12 Ų1261.3 Ų61.36%0.06233%0.327CS..Hα-helixtrans-61.8-50177-63.4171.5000109.6F166 A171 M175 M206 F207 S212 A213 L214F166-I210 HydrophobicContact CE1-CD1 3.95Å; A171-I210 HydrophobicContact CB-CD1 3.34Å; A171-I210 HydrophobicContact CB-CG1 4.42Å; M175-I210 HydrophobicContact CG-CG2 4.14Å; M175-I210 HydrophobicContact SD-CG2 3.74Å; M206-I210 HydrophobicContact CE-CD1 3.51Å; F207-I210 HydrophobicContact CD2-CB 4.09Å; F207-I210 HydrophobicContact CD2-CD1 4.18Å; F207-I210 HydrophobicContact CD2-CG2 4.16Å; F207-I210 HydrophobicContact CE2-CB 4.37Å; F207-I210 HydrophobicContact CE2-CG2 3.97Å; F207-I210 WeakPolarHBondContact O-CB 3.31Å; F207-I210 PolarHBondContact O-N 3.39Å; F207-I210 VanDerWaalsContact O-N 3.08Å; I210-S212 VanDerWaalsContact C-N 3.34Å; I210-S212 PolarHBondContact O-N 3.37Å; I210-A213 PolarHBondContact O-N 3.26Å; I210-A213 VanDerWaalsContact O-N 3.13Å; I210-L214 HydrophobicContact CG2-CD1 3.77Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 2.93Å
211Y90.8Very high90Very high62 Ų6267.1 Ų67.124%0.24335%0.351CS..Hα-helixtrans-55.6-48.6176.9176.4-104.4000111.9F207 A213 L214 M215 V226 M228F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 3.13Å; Y211-A213 PolarHBondContact O-N 3.44Å; Y211-L214 PolarHBondContact O-N 3.35Å; Y211-L214 VanDerWaalsContact O-N 3.07Å; Y211-M215 HydrophobicContact CD1-CG 4.09Å; Y211-M215 HydrophobicContact CD2-CE 3.7Å; Y211-M215 HydrophobicContact CD2-CG 3.83Å; Y211-M215 HydrophobicContact CD2-SD 4.01Å; Y211-M215 HydrophobicContact CE1-CG 3.67Å; Y211-M215 HydrophobicContact CE2-CE 3.53Å; Y211-M215 HydrophobicContact CE2-CG 3.43Å; Y211-M215 VanDerWaalsContact CE2-CG 3.43Å; Y211-M215 HydrophobicContact CE2-SD 3.29Å; Y211-M215 WeakPolarHBondContact CE2-SD 3.45Å; Y211-M215 HydrophobicContact CG-CG 4.17Å; Y211-M215 VanDerWaalsContact CZ-SD 3.59Å; Y211-M215 WeakPolarHBondContact O-CG 3.11Å; Y211-M215 PolarHBondContact O-N 3.48Å; Y211-V226 HydrophobicContact CE2-CG1 3.82Å; Y211-M228 HydrophobicContact CD1-CE 3.9Å; Y211-M228 HydrophobicContact CD2-CE 2.98Å; Y211-M228 HydrophobicContact CE1-CE 4.23Å; Y211-M228 HydrophobicContact CE2-CE 3.35Å; Y211-M228 HydrophobicContact CE2-CG 4.41Å; Y211-M228 HydrophobicContact CG-CE 3.25Å
212S90.6Very high89.6Confident79 Ų7968.3 Ų68.355%0.55236%0.358SS*.Hα-helixtrans-60.6-33.8179-57.80000112.7S208 K209 I210 P216S208-S212 WeakPolarHBondContact O-CB 2.95Å; S208-S212 PolarHBondContact O-N 3.42Å; S208-S212 PolarHBondContact O-OG 3.27Å; K209-S212 PolarHBondContact O-N 2.96Å; I210-S212 VanDerWaalsContact C-N 3.34Å; I210-S212 PolarHBondContact O-N 3.37Å; S212-P216 WeakPolarHBondContact O-CD 3.48Å
213A87.7Confident89.5Confident54 Ų5469.9 Ų69.945%0.44636%0.364SS..Hα-helixtrans-76-31.5175.200000113.2M175 K209 I210 Y211M175-A213 HydrophobicContact CE-CB 3.9Å; K209-A213 PolarHBondContact O-N 3.48Å; K209-A213 VanDerWaalsContact O-N 3.08Å; I210-A213 PolarHBondContact O-N 3.26Å; I210-A213 VanDerWaalsContact O-N 3.13Å; Y211-A213 PolarHBondContact O-N 3.44Å
214L87Confident89.6Confident42 Ų4273.1 Ų73.122%0.2239%0.392CS..Hα-helixtrans-81.8-37.8-177.4-72.9178.5000114M175 L180 I210 Y211 P216 L217M175-L214 HydrophobicContact CE-CD2 4.08Å; M175-L214 HydrophobicContact CE-CG 4.31Å; M175-L214 HydrophobicContact SD-CD1 4Å; M175-L214 HydrophobicContact SD-CD2 3.47Å; M175-L214 WeakPolarHBondContact SD-CD2 3.32Å; M175-L214 HydrophobicContact SD-CG 3.65Å; L180-L214 HydrophobicContact CD1-CD2 4.04Å; L180-L214 HydrophobicContact CD2-CD2 3.32Å; L180-L214 HydrophobicContact CG-CD2 4.33Å; I210-L214 HydrophobicContact CG2-CD1 3.77Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 2.93Å; Y211-L214 PolarHBondContact O-N 3.35Å; Y211-L214 VanDerWaalsContact O-N 3.07Å; L214-P216 VanDerWaalsContact C-CD 3.5Å; L214-L217 HydrophobicContact CD2-CD1 4.39Å; L214-L217 WeakPolarHBondContact O-CB 3.46Å; L214-L217 PolarHBondContact O-N 3.15Å
215M89.3Confident89.8Confident26 Ų2674 Ų7413%0.12839%0.39CS..G310 helixtrans-55.9-41.6-174.4-73.2-53.595.900114.2Y211 L217 L218 Q223 V226Y211-M215 HydrophobicContact CD1-CG 4.09Å; Y211-M215 HydrophobicContact CD2-CE 3.7Å; Y211-M215 HydrophobicContact CD2-CG 3.83Å; Y211-M215 HydrophobicContact CD2-SD 4.01Å; Y211-M215 HydrophobicContact CE1-CG 3.67Å; Y211-M215 HydrophobicContact CE2-CE 3.53Å; Y211-M215 HydrophobicContact CE2-CG 3.43Å; Y211-M215 VanDerWaalsContact CE2-CG 3.43Å; Y211-M215 HydrophobicContact CE2-SD 3.29Å; Y211-M215 WeakPolarHBondContact CE2-SD 3.45Å; Y211-M215 HydrophobicContact CG-CG 4.17Å; Y211-M215 VanDerWaalsContact CZ-SD 3.59Å; Y211-M215 WeakPolarHBondContact O-CG 3.11Å; Y211-M215 PolarHBondContact O-N 3.48Å; M215-L217 PolarHBondContact O-N 2.7Å; M215-L218 HydrophobicContact CE-CD1 3.57Å; M215-L218 HydrophobicContact CE-CG 4.46Å; M215-L218 WeakPolarHBondContact O-CB 3.5Å; M215-L218 PolarHBondContact O-N 3.04Å; M215-L218 HydrophobicContact SD-CD1 4.09Å; M215-Q223 WeakPolarHBondContact O-CG 3.16Å; M215-Q223 PolarHBondContact O-NE2 3.24Å; M215-V226 HydrophobicContact CE-CG2 4.33Å; M215-V226 HydrophobicContact SD-CB 4.45Å; M215-V226 HydrophobicContact SD-CG2 4.11Å
216P90.7Very high90.1Very high96 Ų9664.7 Ų64.762%0.62336%0.356SS*.G310 helixtrans-61.4-23.6177.1-25.836.3000114.8S212 L214 L218S212-P216 WeakPolarHBondContact O-CD 3.48Å; L214-P216 VanDerWaalsContact C-CD 3.5Å; P216-L218 PolarHBondContact O-N 2.94Å
217L87.5Confident90.6Very high82 Ų8266.1 Ų66.143%0.42937%0.366SS..G310 helixtrans-75.3-16.9175.7-55.6179.3000112.2L180 V184 Q188 L214 M215L180-L217 HydrophobicContact CB-CD1 4.44Å; L180-L217 HydrophobicContact CD1-CD1 4.09Å; V184-L217 HydrophobicContact CG2-CB 4.06Å; Q188-L217 PolarHBondContact NE2-O 2.99Å; L214-L217 HydrophobicContact CD2-CD1 4.39Å; L214-L217 WeakPolarHBondContact O-CB 3.46Å; L214-L217 PolarHBondContact O-N 3.15Å; M215-L217 PolarHBondContact O-N 2.7Å
218L87.4Confident90.8Very high31 Ų3167.8 Ų67.816%0.16237%0.374CS..SBendtrans-88.1138.1178.5-59.4-175.7000111.5Q188 M215 P216 N222 Q223 V226Q188-L218 VanDerWaalsContact NE2-CA 3.28Å; M215-L218 HydrophobicContact CE-CD1 3.57Å; M215-L218 HydrophobicContact CE-CG 4.46Å; M215-L218 WeakPolarHBondContact O-CB 3.5Å; M215-L218 PolarHBondContact O-N 3.04Å; M215-L218 HydrophobicContact SD-CD1 4.09Å; P216-L218 PolarHBondContact O-N 2.94Å; L218-N222 HydrophobicContact CB-CB 4.34Å; L218-Q223 HydrophobicContact CB-CG 3.79Å; L218-Q223 PolarHBondContact O-NE2 2.9Å; L218-V226 HydrophobicContact CD1-CG2 4.41Å
219K89.9Confident91.1Very high112 Ų11265 Ų6549%0.48736%0.355SS..  trans-55.7146.4167.1-77.1168.3-175.1173.60110.1Q188 K221 N222 Q223Q188-K219 HydrophobicContact CG-CD 4.5Å; Q188-K219 VanDerWaalsContact NE2-N 3.19Å; Q188-K219 PolarHBondContact O-NZ 2.92Å; Q188-K219 VanDerWaalsContact OE1-CG 3.31Å; K219-K221 PolarHBondContact O-N 3.48Å; K219-N222 WeakPolarHBondContact O-CA 3.42Å; K219-N222 PolarHBondContact O-N 3.07Å; K219-Q223 PolarHBondContact O-N 3.4Å
220P91.5Very high91.2Very high102 Ų10262 Ų6266%0.66235%0.346SS*.Hα-helixtrans-51-39.7-178.7-29.935.1000113.9N222 Q223 A224P220-N222 VanDerWaalsContact C-N 3.27Å; P220-N222 PolarHBondContact O-N 3.35Å; P220-Q223 PolarHBondContact O-N 2.95Å; P220-A224 PolarHBondContact O-N 2.73Å
221K90.2Very high91.3Very high135 Ų13566.9 Ų66.959%0.58738%0.376SS*.Hα-helixtrans-58.1-35.1174.9-179.6175.8178.3178.20113.8K219 R225K219-K221 PolarHBondContact O-N 3.48Å; K221-R225 WeakPolarHBondContact O-CD 3.44Å; K221-R225 WeakPolarHBondContact O-CG 3.33Å
222N89Confident91.5Very high28 Ų2866.3 Ų66.315%0.1538%0.381CS..Hα-helixtrans-84.6-32.4177.8-74.8-13.4000111.8L218 K219 P220 A224 R225L218-N222 HydrophobicContact CB-CB 4.34Å; K219-N222 WeakPolarHBondContact O-CA 3.42Å; K219-N222 PolarHBondContact O-N 3.07Å; P220-N222 VanDerWaalsContact C-N 3.27Å; P220-N222 PolarHBondContact O-N 3.35Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 3.26Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.24Å; N222-R225 VanDerWaalsContact O-N 3.16Å; N222-R225 PolarHBondContact OD1-NH1 2.94Å; N222-R225 VanDerWaalsContact OD1-NH1 3.11Å
223Q92.2Very high91.6Very high72 Ų7264.8 Ų64.834%0.33637%0.367SS..Hα-helixtrans-58-46.8171.2-64.1177.617.900111M215 L218 K219 P220 R225 V226M215-Q223 WeakPolarHBondContact O-CG 3.16Å; M215-Q223 PolarHBondContact O-NE2 3.24Å; L218-Q223 HydrophobicContact CB-CG 3.79Å; L218-Q223 PolarHBondContact O-NE2 2.9Å; K219-Q223 PolarHBondContact O-N 3.4Å; P220-Q223 PolarHBondContact O-N 2.95Å; Q223-R225 PolarHBondContact O-N 2.79Å; Q223-V226 PolarHBondContact O-N 3.26Å
224A94.8Very high92Very high88 Ų8870 Ų7073%0.72738%0.382SS*.THydrogen-bonded Turntrans-64.1-8.6178.800000114.6P220 N222P220-A224 PolarHBondContact O-N 2.73Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 3.26Å
225R95.4Very high92.5Very high56 Ų5670.4 Ų70.421%0.21139%0.388CS..THydrogen-bonded Turntrans-96.4-9.4177.1-68.4169.5174.6-174.4-24112.8V195 K196 A197 V198 K221 N222 Q223V195-R225 PolarHBondContact O-NE 3.24Å; V195-R225 PolarHBondContact O-NH1 2.71Å; V195-R225 PolarHBondContact O-NH2 3.11Å; V195-R225 VanDerWaalsContact O-NH2 3.13Å; K196-R225 WeakPolarHBondContact O-CG 3.46Å; A197-R225 CarbonylContact C-O 3.32Å; A197-R225 WeakPolarHBondContact CA-O 3.19Å; V198-R225 PolarHBondContact N-O 3.08Å; K221-R225 WeakPolarHBondContact O-CD 3.44Å; K221-R225 WeakPolarHBondContact O-CG 3.33Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.24Å; N222-R225 VanDerWaalsContact O-N 3.16Å; N222-R225 PolarHBondContact OD1-NH1 2.94Å; N222-R225 VanDerWaalsContact OD1-NH1 3.11Å; Q223-R225 PolarHBondContact O-N 2.79Å
226V95.5Very high92.9Very high22 Ų2269.2 Ų69.213%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-85.7122.6179.2-172.70000109V198 I200 Y211 M215 L218 Q223V198-V226 HydrophobicContact CB-CG2 4.37Å; V198-V226 CarbonylContact O-C 3.58Å; V198-V226 WeakPolarHBondContact O-CA 3.09Å; I200-V226 HydrophobicContact CD1-CG1 3.53Å; I200-V226 HydrophobicContact CG1-CG1 4.17Å; Y211-V226 HydrophobicContact CE2-CG1 3.82Å; M215-V226 HydrophobicContact CE-CG2 4.33Å; M215-V226 HydrophobicContact SD-CB 4.45Å; M215-V226 HydrophobicContact SD-CG2 4.11Å; L218-V226 HydrophobicContact CD1-CG2 4.41Å; Q223-V226 PolarHBondContact O-N 3.26Å
227V96.2Very high93.3Very high56 Ų5666.9 Ų66.934%0.33936%0.363SS..EExtended strand (participates in β ladder)trans-116.9123.3177.7-174.40000108.2V198 H199 I200V198-V227 PolarHBondContact O-N 2.8Å; H199-V227 CarbonylContact C-O 3.54Å; H199-V227 WeakPolarHBondContact CA-O 2.98Å; I200-V227 PolarHBondContact N-O 3.32Å
228M95.1Very high93.7Very high51 Ų5167.3 Ų67.325%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-99.7119.5178.4-74.2-73.2-157.100110I200 F207 Y211I200-M228 HydrophobicContact CB-SD 3.59Å; I200-M228 VanDerWaalsContact CB-SD 3.59Å; I200-M228 HydrophobicContact CD1-CE 3.95Å; I200-M228 HydrophobicContact CD1-SD 4.03Å; I200-M228 HydrophobicContact CG1-SD 4.33Å; I200-M228 HydrophobicContact CG2-CE 4.46Å; I200-M228 HydrophobicContact CG2-SD 3.78Å; F207-M228 HydrophobicContact CD1-CE 3.92Å; F207-M228 HydrophobicContact CE1-CE 3.44Å; F207-M228 VanDerWaalsContact CE1-CE 3.44Å; F207-M228 HydrophobicContact CE1-SD 4.3Å; Y211-M228 HydrophobicContact CD1-CE 3.9Å; Y211-M228 HydrophobicContact CD2-CE 2.98Å; Y211-M228 HydrophobicContact CE1-CE 4.23Å; Y211-M228 HydrophobicContact CE2-CE 3.35Å; Y211-M228 HydrophobicContact CE2-CG 4.41Å; Y211-M228 HydrophobicContact CG-CE 3.25Å
229H96Very high94.2Very high7 Ų767.8 Ų67.83%0.03239%0.387CS..EExtended strand (participates in β ladder)trans-101.2-9.7174.8-57.1-75.5000113H199 I200 F201 T231 S232 S235 L236H199-H229 AromaticContact CE1-NE2 3.88Å; H199-H229 AromaticContact CG-NE2 3.58Å; H199-H229 AromaticContact ND1-CD2 3.87Å; H199-H229 AromaticContact ND1-CE1 3.67Å; H199-H229 AromaticContact ND1-NE2 2.79Å; H199-H229 PolarHBondContact ND1-NE2 3.05Å; I200-H229 PolarHBondContact O-N 2.82Å; F201-H229 HydrophobicContact CB-CB 4.07Å; H229-T231 PolarHBondContact O-N 3.5Å; H229-S232 WeakPolarHBondContact O-CB 3.44Å; H229-S232 PolarHBondContact O-N 3.15Å; H229-S235 PolarHBondContact CE1-O 2.82Å; H229-S235 VanDerWaalsContact CE1-O 3.24Å; H229-S235 PolarHBondContact ND1-O 3.21Å; H229-S235 PolarHBondContact ND1-OG 3.45Å; H229-L236 HydrophobicContact CB-CB 4.36Å; H229-L236 PolarHBondContact ND1-N 2.8Å
230N90.1Very high94.5Very high89 Ų8962.6 Ų62.648%0.47636%0.364SS..EExtended strand (participates in β ladder)trans49.9-124.6-174-57.4-47.2000110.4F201 N202 S203F201-N230 CarbonylContact C-O 3.59Å; F201-N230 WeakPolarHBondContact CA-O 3.19Å; N202-N230 PolarHBondContact N-O 3.04Å; S203-N230 PolarHBondContact OG-OD1 3.02Å
231T90.8Very high94.8Very high114 Ų11460.1 Ų60.170%0.69935%0.348SS*.THydrogen-bonded Turntrans-96.67.5178.3550000113.8H229 L233H229-T231 PolarHBondContact O-N 3.5Å; T231-L233 PolarHBondContact O-N 3.19Å
232S94.1Very high95.1Very high50 Ų5055.8 Ų55.835%0.3533%0.334SS..  trans-85.7103.9-177178.50000111.6H229 E234 S235 L236H229-S232 WeakPolarHBondContact O-CB 3.44Å; H229-S232 PolarHBondContact O-N 3.15Å; S232-E234 VanDerWaalsContact C-N 3.28Å; S232-E234 PolarHBondContact O-N 2.85Å; S232-S235 PolarHBondContact O-N 3.37Å; S232-S235 WeakPolarHBondContact OG-CB 3.38Å; S232-S235 PolarHBondContact OG-N 2.78Å; S232-S235 VanDerWaalsContact OG-N 3.09Å; S232-L236 PolarHBondContact O-N 2.9Å; S232-L236 VanDerWaalsContact O-N 3.17Å
233L93.8Very high95.5Very high47 Ų4759 Ų5925%0.24635%0.348CS..Hα-helixtrans-64.2-33.8171.1-70-179.5000112.1T231 L236 H237 L251T231-L233 PolarHBondContact O-N 3.19Å; L233-L236 HydrophobicContact CD2-CD2 4.46Å; L233-L236 PolarHBondContact O-N 2.92Å; L233-H237 WeakPolarHBondContact O-CB 3.5Å; L233-H237 PolarHBondContact O-N 3.49Å; L233-L251 HydrophobicContact CD2-CB 4.44Å; L233-L251 HydrophobicContact CD2-CD2 4.01Å
234E96.4Very high95.7Very high165 Ų16556 Ų5677%0.77133%0.334SS*.Hα-helixtrans-60.3-47.1175.7-176.1-175.8176.100111.4S232 L236 H237 A238S232-E234 VanDerWaalsContact C-N 3.28Å; S232-E234 PolarHBondContact O-N 2.85Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 3.11Å; E234-H237 PolarHBondContact O-N 3.43Å; E234-A238 WeakPolarHBondContact O-CB 3.21Å; E234-A238 PolarHBondContact O-N 3.14Å
235S97.4Very high95.9Very high50 Ų5051.9 Ų51.935%0.3530%0.3SS..Hα-helixtrans-62.2-39.9176.4-175.60000111.9H229 S232H229-S235 PolarHBondContact CE1-O 2.82Å; H229-S235 VanDerWaalsContact CE1-O 3.24Å; H229-S235 PolarHBondContact ND1-O 3.21Å; H229-S235 PolarHBondContact ND1-OG 3.45Å; S232-S235 PolarHBondContact O-N 3.37Å; S232-S235 WeakPolarHBondContact OG-CB 3.38Å; S232-S235 PolarHBondContact OG-N 2.78Å; S232-S235 VanDerWaalsContact OG-N 3.09Å
236L97.7Very high96Very high1 Ų149.2 Ų49.21%0.00529%0.29CS..Hα-helixtrans-65.2-47.8175.8178.562.2000111.2F201 H229 S232 L233 E234 A238 A239 I240 L245 L251F201-L236 HydrophobicContact CD1-CD1 3.8Å; F201-L236 HydrophobicContact CD1-CD2 4.06Å; F201-L236 HydrophobicContact CD2-CD2 4.03Å; F201-L236 HydrophobicContact CE1-CD1 3.95Å; F201-L236 HydrophobicContact CE1-CD2 4.14Å; F201-L236 HydrophobicContact CE2-CD2 4.11Å; F201-L236 HydrophobicContact CG-CD1 4.42Å; F201-L236 HydrophobicContact CG-CD2 3.99Å; F201-L236 HydrophobicContact CZ-CD2 4.14Å; H229-L236 HydrophobicContact CB-CB 4.36Å; H229-L236 PolarHBondContact ND1-N 2.8Å; S232-L236 PolarHBondContact O-N 2.9Å; S232-L236 VanDerWaalsContact O-N 3.17Å; L233-L236 HydrophobicContact CD2-CD2 4.46Å; L233-L236 PolarHBondContact O-N 2.92Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 3.11Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.09Å; L236-A239 CarbonylContact O-C 3.47Å; L236-A239 PolarHBondContact O-N 2.74Å; L236-I240 HydrophobicContact CD1-CB 4.44Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 PolarHBondContact O-N 3.3Å; L236-L245 HydrophobicContact CD2-CD1 4.1Å; L236-L245 HydrophobicContact CG-CD1 4.33Å; L236-L251 HydrophobicContact CD2-CD2 4.34Å
237H97.8Very high96Very high46 Ų4651.8 Ų51.821%0.21331%0.308CS..Hα-helixtrans-67.8-28.4-177.8-69.3169.4000113.5L233 E234 A239 I240 P242 L251L233-H237 WeakPolarHBondContact O-CB 3.5Å; L233-H237 PolarHBondContact O-N 3.49Å; E234-H237 PolarHBondContact O-N 3.43Å; H237-A239 PolarHBondContact O-N 2.91Å; H237-I240 WeakPolarHBondContact CA-O 3.3Å; H237-P242 HydrophobicContact CB-CG 4.43Å; H237-L251 PolarHBondContact CE1-O 3.35Å; H237-L251 PolarHBondContact NE2-O 2.96Å
238A96.9Very high95.9Very high91 Ų9153.1 Ų53.175%0.75231%0.313SS*.Hα-helixtrans-63.4-29.3170.500000112.3E234 L236E234-A238 WeakPolarHBondContact O-CB 3.21Å; E234-A238 PolarHBondContact O-N 3.14Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.09Å
239A96.8Very high95.3Very high42 Ų4251.5 Ų51.535%0.34731%0.309SS..Hα-helixtrans-95.4-37.9177.700000113.3L236 H237L236-A239 CarbonylContact O-C 3.47Å; L236-A239 PolarHBondContact O-N 2.74Å; H237-A239 PolarHBondContact O-N 2.91Å
240I97.6Very high95Very high2 Ų254.1 Ų54.11%0.0134%0.339CS..SBendtrans-130.6104.3-173.4-51.2-65.9000108.9L116 I158 L160 L236 H237 L244 L245L116-I240 HydrophobicContact CD2-CD1 4.19Å; L116-I240 HydrophobicContact CD2-CG2 3.76Å; I158-I240 HydrophobicContact CD1-CD1 3.99Å; I158-I240 HydrophobicContact CG2-CD1 4.11Å; L160-I240 HydrophobicContact CD1-CG2 4.47Å; L160-I240 HydrophobicContact CD2-CD1 4.12Å; L160-I240 HydrophobicContact CD2-CG1 3.89Å; L236-I240 HydrophobicContact CD1-CB 4.44Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 PolarHBondContact O-N 3.3Å; H237-I240 WeakPolarHBondContact CA-O 3.3Å; I240-L244 HydrophobicContact CG2-CB 4.22Å; I240-L245 HydrophobicContact CG2-CD2 3.71Å; I240-L245 HydrophobicContact CG2-CG 3.99Å
241P96.9Very high95.2Very high50 Ų5049.9 Ų49.933%0.32532%0.316SS..  trans-55.3142.6-178.2-29.635.9000113.5H243 L244P241-H243 VanDerWaalsContact CB-CE1 3.48Å; P241-H243 WeakPolarHBondContact CB-CE1 3.42Å; P241-H243 PolarHBondContact O-N 3.16Å; P241-L244 WeakPolarHBondContact O-CB 3.44Å; P241-L244 PolarHBondContact O-N 3.18Å
242P96.9Very high95.4Very high45 Ų4550.2 Ų50.229%0.29231%0.313SS..G310 helixtrans-53.2-31.9-177.3-31.135.7000116.1H237 L244 L245 G253 T254H237-P242 HydrophobicContact CB-CG 4.43Å; P242-L244 PolarHBondContact O-N 3.33Å; P242-L245 PolarHBondContact O-N 2.88Å; P242-G253 CarbonylContact O-C 3.56Å; P242-G253 VanDerWaalsContact O-CA 3.29Å; P242-G253 WeakPolarHBondContact O-CA 3.25Å; P242-T254 PolarHBondContact O-N 2.63Å
243H96.8Very high95.5Very high95 Ų9548.2 Ų48.244%0.4430%0.3SS..G310 helixtrans-68.5-17.8179.271.4-90.3000113.9P241 T254 G255P241-H243 VanDerWaalsContact CB-CE1 3.48Å; P241-H243 WeakPolarHBondContact CB-CE1 3.42Å; P241-H243 PolarHBondContact O-N 3.16Å; H243-T254 VanDerWaalsContact CA-OG1 3.24Å; H243-T254 WeakPolarHBondContact CA-OG1 3.03Å; H243-G255 VanDerWaalsContact O-CA 3.31Å; H243-G255 WeakPolarHBondContact O-CA 3.39Å
244L97.7Very high95.7Very high10 Ų1050.9 Ų50.95%0.05232%0.319CS..G310 helixtrans-87.4-10.9172.8-58.6179.5000112.3L106 Q108 P109 D110 L116 I240 P241 P242L106-L244 VanDerWaalsContact CD1-O 3.28Å; L106-L244 WeakPolarHBondContact CD1-O 3.3Å; Q108-L244 HydrophobicContact CB-CD2 3.72Å; P109-L244 WeakPolarHBondContact O-CD2 3.37Å; D110-L244 HydrophobicContact CB-CD1 3.78Å; L116-L244 HydrophobicContact CD1-CD1 4.24Å; L116-L244 HydrophobicContact CD2-CB 4.39Å; L116-L244 HydrophobicContact CD2-CD1 4.49Å; I240-L244 HydrophobicContact CG2-CB 4.22Å; P241-L244 WeakPolarHBondContact O-CB 3.44Å; P241-L244 PolarHBondContact O-N 3.18Å; P242-L244 PolarHBondContact O-N 3.33Å
245L97.9Very high95.6Very high0 Ų043.4 Ų43.40%029%0.286CS..SBendtrans-99.6145.6-177.4-63175000111.2L160 L236 I240 P242 L251 G253 T254 G255L160-L245 HydrophobicContact CD1-CD2 3.59Å; L236-L245 HydrophobicContact CD2-CD1 4.1Å; L236-L245 HydrophobicContact CG-CD1 4.33Å; I240-L245 HydrophobicContact CG2-CD2 3.71Å; I240-L245 HydrophobicContact CG2-CG 3.99Å; P242-L245 PolarHBondContact O-N 2.88Å; L245-L251 HydrophobicContact CD1-CB 4.33Å; L245-L251 HydrophobicContact CD2-CD1 4.24Å; L245-G253 WeakPolarHBondContact O-CA 3.16Å; L245-T254 PolarHBondContact O-N 3.47Å; L245-G255 VanDerWaalsContact O-CA 3.3Å; L245-G255 WeakPolarHBondContact O-CA 3.33Å; L245-G255 PolarHBondContact O-N 2.83Å
246P97.5Very high95.5Very high1 Ų144.4 Ų44.41%0.00629%0.291CS..BIsolated β-bridgetrans-63.5139.8-179.6-24.836.4000113.5L106 Y118 N248 P256 V258L106-P246 HydrophobicContact CD2-CG 3.97Å; Y118-P246 HydrophobicContact CD1-CG 3.83Å; Y118-P246 HydrophobicContact CE1-CG 3.69Å; P246-N248 VanDerWaalsContact C-N 3.29Å; P246-N248 PolarHBondContact O-N 3Å; P246-P256 WeakPolarHBondContact CA-O 3.34Å; P246-P256 WeakPolarHBondContact CB-O 3.36Å; P246-V258 HydrophobicContact CB-CB 4.32Å; P246-V258 HydrophobicContact CB-CG2 3.92Å; P246-V258 HydrophobicContact CG-CB 4.18Å; P246-V258 HydrophobicContact CG-CG2 3.49Å; P246-V258 VanDerWaalsContact CG-CG2 3.49Å
247C96.2Very high95.5Very high75 Ų7547.1 Ų47.151%0.50731%0.31SS..THydrogen-bonded Turntrans-68.4-24.3178.864.20000114.5G253 G255C247-G253 VanDerWaalsContact CA-O 3.29Å; C247-G253 WeakPolarHBondContact CA-O 3.36Å; C247-G255 VanDerWaalsContact CB-O 3.31Å; C247-G255 WeakPolarHBondContact CB-O 3.23Å; C247-G255 PolarHBondContact N-O 2.83Å; C247-G255 PolarHBondContact SG-O 3.46Å
248N93.5Very high95.4Very high85 Ų8545.3 Ų45.346%0.45530%0.302SS..THydrogen-bonded Turntrans-103.513.7-176.170.8-32.7000113.7P246 S257 V258P246-N248 VanDerWaalsContact C-N 3.29Å; P246-N248 PolarHBondContact O-N 3Å; N248-S257 VanDerWaalsContact OD1-CA 3.31Å; N248-S257 WeakPolarHBondContact OD1-CA 3.04Å; N248-V258 PolarHBondContact ND2-O 3.48Å; N248-V258 PolarHBondContact OD1-N 3.2Å
249G82.5Confident95.4Very high16 Ų1643.6 Ų43.617%0.16528%0.284CS..THydrogen-bonded Turntrans-95.21.9-17600000115.8L251G249-L251 PolarHBondContact O-N 3.06Å
250G89.3Confident95.4Very high63 Ų6343.2 Ų43.265%0.64928%0.278SS*.THydrogen-bonded Turntrans69.315.1-171.800000114.1
251L94.1Very high95.3Very high0 Ų051.6 Ų51.60%031%0.311CS..SBendtrans-100.310.7-177.5-57.2-178.8000113.5Y118 F201 L233 L236 H237 L245 G249 G253Y118-L251 HydrophobicContact CE2-CD1 4.43Å; Y118-L251 WeakPolarHBondContact OH-CD1 3.38Å; F201-L251 HydrophobicContact CD2-CD2 3.94Å; F201-L251 HydrophobicContact CE2-CD1 3.67Å; F201-L251 HydrophobicContact CE2-CD2 3.58Å; F201-L251 HydrophobicContact CE2-CG 4.27Å; F201-L251 HydrophobicContact CZ-CD1 3.94Å; L233-L251 HydrophobicContact CD2-CB 4.44Å; L233-L251 HydrophobicContact CD2-CD2 4.01Å; L236-L251 HydrophobicContact CD2-CD2 4.34Å; H237-L251 PolarHBondContact CE1-O 3.35Å; H237-L251 PolarHBondContact NE2-O 2.96Å; L245-L251 HydrophobicContact CD1-CB 4.33Å; L245-L251 HydrophobicContact CD2-CD1 4.24Å; G249-L251 PolarHBondContact O-N 3.06Å; L251-G253 PolarHBondContact O-N 2.86Å; L251-G253 VanDerWaalsContact O-N 3.14Å
252N95.2Very high95.2Very high120 Ų12057 Ų5764%0.64233%0.332SS*.  trans48.136.3-167.3-64-17.5000112.3
253G96.9Very high95.2Very high8 Ų855.9 Ų55.98%0.08232%0.322CS..  trans-75.8158.8175.700000111.7P242 L245 C247 L251P242-G253 CarbonylContact O-C 3.56Å; P242-G253 VanDerWaalsContact O-CA 3.29Å; P242-G253 WeakPolarHBondContact O-CA 3.25Å; L245-G253 WeakPolarHBondContact O-CA 3.16Å; C247-G253 VanDerWaalsContact CA-O 3.29Å; C247-G253 WeakPolarHBondContact CA-O 3.36Å; L251-G253 PolarHBondContact O-N 2.86Å; L251-G253 VanDerWaalsContact O-N 3.14Å
254T97.1Very high95.3Very high104 Ų10451.9 Ų51.964%0.63830%0.304SS*.  trans-123.63.8174.356.60000112.7P242 H243 L245P242-T254 PolarHBondContact O-N 2.63Å; H243-T254 VanDerWaalsContact CA-OG1 3.24Å; H243-T254 WeakPolarHBondContact CA-OG1 3.03Å; L245-T254 PolarHBondContact O-N 3.47Å
255G95.8Very high95.3Very high7 Ų753.8 Ų53.87%0.07231%0.314CS..BIsolated β-bridgetrans-76.1176.2172.500000113H243 L245 C247H243-G255 VanDerWaalsContact O-CA 3.31Å; H243-G255 WeakPolarHBondContact O-CA 3.39Å; L245-G255 VanDerWaalsContact O-CA 3.3Å; L245-G255 WeakPolarHBondContact O-CA 3.33Å; L245-G255 PolarHBondContact O-N 2.83Å; C247-G255 VanDerWaalsContact CB-O 3.31Å; C247-G255 WeakPolarHBondContact CB-O 3.23Å; C247-G255 PolarHBondContact N-O 2.83Å; C247-G255 PolarHBondContact SG-O 3.46Å
256P95Very high95.2Very high71 Ų7155.5 Ų55.546%0.46133%0.332SS..  trans-59.2153.9-177.8-28.239.7000113.7P107 P246P107-P256 HydrophobicContact CG-CB 4.29Å; P107-P256 HydrophobicContact CG-CG 3.71Å; P246-P256 WeakPolarHBondContact CA-O 3.34Å; P246-P256 WeakPolarHBondContact CB-O 3.36Å
257S96.3Very high95.2Very high58 Ų5855.6 Ų55.641%0.40633%0.332SS..  trans-66.8149.417952.20000112.5N248N248-S257 VanDerWaalsContact OD1-CA 3.31Å; N248-S257 WeakPolarHBondContact OD1-CA 3.04Å
258V96.7Very high95.3Very high8 Ų853.9 Ų53.95%0.04832%0.318CS..SBendtrans-125.1130.9173.2-178.70000109.3C104 L106 Y118 R120 P246 N248C104-V258 WeakPolarHBondContact SG-CG1 3.4Å; L106-V258 HydrophobicContact CD2-CG2 3.92Å; Y118-V258 HydrophobicContact CD1-CG1 4.46Å; Y118-V258 HydrophobicContact CD1-CG2 4.45Å; R120-V258 PolarHBondContact NH2-O 3.18Å; P246-V258 HydrophobicContact CB-CB 4.32Å; P246-V258 HydrophobicContact CB-CG2 3.92Å; P246-V258 HydrophobicContact CG-CB 4.18Å; P246-V258 HydrophobicContact CG-CG2 3.49Å; P246-V258 VanDerWaalsContact CG-CG2 3.49Å; N248-V258 PolarHBondContact ND2-O 3.48Å; N248-V258 PolarHBondContact OD1-N 3.2Å
259P97Very high95.5Very high55 Ų5556.4 Ų56.436%0.35733%0.331SS..SBendcis-67.5154.22.131.9-38.9000113.3Q99 I264Q99-P259 WeakPolarHBondContact O-CG 3.41Å; P259-I264 HydrophobicContact CB-CD1 4.07Å
260S95.7Very high96.2Very high34 Ų3457.2 Ų57.224%0.23833%0.332CS..  trans-112.9122176.1165.50000109.9E262 Y263 I264S260-E262 VanDerWaalsContact C-N 3.3Å; S260-E262 PolarHBondContact O-N 2.93Å; S260-E262 PolarHBondContact OG-N 2.99Å; S260-Y263 PolarHBondContact O-N 3.38Å; S260-Y263 PolarHBondContact OG-N 3.2Å; S260-I264 VanDerWaalsContact O-CG1 3.29Å; S260-I264 WeakPolarHBondContact O-CG1 3.38Å; S260-I264 PolarHBondContact O-N 3.17Å
261Y95.7Very high96.6Very high178 Ų17855.5 Ų55.570%0.69831%0.307SS*.Hα-helixtrans-60.8-39.9177.3-178.8-107.6000112Y263 I264 N265Y261-Y263 PolarHBondContact O-N 2.97Å; Y261-I264 PolarHBondContact O-N 2.57Å; Y261-N265 WeakPolarHBondContact CE1-ND2 3.36Å; Y261-N265 WeakPolarHBondContact O-CB 3.32Å; Y261-N265 PolarHBondContact O-N 3.42Å; Y261-N265 PolarHBondContact OH-ND2 2.89Å; Y261-N265 VanDerWaalsContact OH-ND2 3.15Å
262E95.9Very high96.7Very high163 Ų16361.6 Ų61.676%0.76234%0.339SS*.Hα-helixtrans-60.5-45.3176-176-175.6179.100111.5S260 G266S260-E262 VanDerWaalsContact C-N 3.3Å; S260-E262 PolarHBondContact O-N 2.93Å; S260-E262 PolarHBondContact OG-N 2.99Å; E262-G266 PolarHBondContact O-N 2.85Å
263Y96.4Very high96.7Very high22 Ų2258.6 Ų58.69%0.08632%0.32CS..Hα-helixtrans-63.7-46.5177.5174.4-110000112.1C104 R105 S260 Y261 G266 L267C104-Y263 HydrophobicContact CB-CD1 3.74Å; C104-Y263 HydrophobicContact CB-CE1 3.43Å; C104-Y263 VanDerWaalsContact CB-CE1 3.43Å; R105-Y263 HydrophobicContact CB-CE2 3.73Å; R105-Y263 PolarHBondContact N-OH 3.46Å; S260-Y263 PolarHBondContact O-N 3.38Å; S260-Y263 PolarHBondContact OG-N 3.2Å; Y261-Y263 PolarHBondContact O-N 2.97Å; Y263-G266 PolarHBondContact O-N 3.25Å; Y263-L267 PolarHBondContact O-N 3.18Å
264I98.1Very high96.7Very high12 Ų1258.5 Ų58.56%0.06232%0.317CS..Hα-helixtrans-61.7-47.7-179.1-65.7165.5000110.1F98 Q99 P259 S260 Y261 G266 L267 L268F98-I264 HydrophobicContact CB-CD1 4.45Å; F98-I264 HydrophobicContact CB-CG1 4.01Å; Q99-I264 HydrophobicContact CG-CD1 4.33Å; P259-I264 HydrophobicContact CB-CD1 4.07Å; S260-I264 VanDerWaalsContact O-CG1 3.29Å; S260-I264 WeakPolarHBondContact O-CG1 3.38Å; S260-I264 PolarHBondContact O-N 3.17Å; Y261-I264 PolarHBondContact O-N 2.57Å; I264-G266 VanDerWaalsContact C-N 3.33Å; I264-G266 PolarHBondContact O-N 2.78Å; I264-L267 WeakPolarHBondContact O-CB 3.35Å; I264-L267 PolarHBondContact O-N 3.4Å; I264-L267 VanDerWaalsContact O-N 3.13Å; I264-L268 HydrophobicContact CG2-CD1 4.02Å; I264-L268 HydrophobicContact CG2-CG 4.33Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.86Å
265N97.7Very high96.6Very high50 Ų5056.6 Ų56.627%0.26730%0.302SS..Hα-helixtrans-60.9-41.7175.9-77.8-4.8000112.3Y261 L267 L268 N269Y261-N265 WeakPolarHBondContact CE1-ND2 3.36Å; Y261-N265 WeakPolarHBondContact O-CB 3.32Å; Y261-N265 PolarHBondContact O-N 3.42Å; Y261-N265 PolarHBondContact OH-ND2 2.89Å; Y261-N265 VanDerWaalsContact OH-ND2 3.15Å; N265-L267 VanDerWaalsContact C-N 3.27Å; N265-L267 PolarHBondContact O-N 2.75Å; N265-L268 PolarHBondContact O-N 2.92Å; N265-N269 WeakPolarHBondContact O-CB 3.11Å; N265-N269 PolarHBondContact O-N 3.43Å; N265-N269 PolarHBondContact O-ND2 2.94Å
266G96.6Very high96.5Very high36 Ų3659 Ų5937%0.37131%0.312SS..Hα-helixtrans-58.5-40.4174.700000112.2E262 Y263 I264E262-G266 PolarHBondContact O-N 2.85Å; Y263-G266 PolarHBondContact O-N 3.25Å; I264-G266 VanDerWaalsContact C-N 3.33Å; I264-G266 PolarHBondContact O-N 2.78Å
267L96.8Very high96.5Very high2 Ų256.4 Ų56.41%0.0129%0.294CS..Hα-helixtrans-69.6-43.1176-173.363.2000111.9P91 F98 E144 Y263 I264 N265 N269 L270 F274P91-L267 HydrophobicContact CB-CG 4.1Å; P91-L267 HydrophobicContact CG-CD1 4.31Å; P91-L267 HydrophobicContact CG-CG 4.05Å; P91-L267 VanDerWaalsContact CG-O 3.22Å; P91-L267 WeakPolarHBondContact CG-O 3.29Å; F98-L267 HydrophobicContact CD1-CD2 3.98Å; F98-L267 HydrophobicContact CD2-CD2 3.68Å; F98-L267 HydrophobicContact CE1-CD2 3.7Å; F98-L267 HydrophobicContact CE2-CD2 3.39Å; F98-L267 HydrophobicContact CE2-CG 4.45Å; F98-L267 HydrophobicContact CG-CD2 3.98Å; F98-L267 HydrophobicContact CZ-CD2 3.41Å; F98-L267 VanDerWaalsContact CZ-CD2 3.41Å; E144-L267 HydrophobicContact CB-CD1 3.63Å; E144-L267 HydrophobicContact CG-CD1 3.74Å; Y263-L267 PolarHBondContact O-N 3.18Å; I264-L267 WeakPolarHBondContact O-CB 3.35Å; I264-L267 PolarHBondContact O-N 3.4Å; I264-L267 VanDerWaalsContact O-N 3.13Å; N265-L267 VanDerWaalsContact C-N 3.27Å; N265-L267 PolarHBondContact O-N 2.75Å; L267-N269 VanDerWaalsContact C-N 3.27Å; L267-N269 PolarHBondContact O-N 3.25Å; L267-L270 WeakPolarHBondContact O-CB 3.33Å; L267-L270 PolarHBondContact O-N 3.23Å; L267-F274 HydrophobicContact CD1-CE2 4.45Å
268L97.9Very high96.2Very high39 Ų3955.2 Ų55.220%0.20428%0.282CS..Hα-helixtrans-63.1-32175.9-68.7173.8000112.3P91 E95 I264 N265 L270 E271P91-L268 HydrophobicContact CB-CD2 3.9Å; E95-L268 HydrophobicContact CG-CD1 4.41Å; E95-L268 HydrophobicContact CG-CD2 4.24Å; I264-L268 HydrophobicContact CG2-CD1 4.02Å; I264-L268 HydrophobicContact CG2-CG 4.33Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.86Å; N265-L268 PolarHBondContact O-N 2.92Å; L268-L270 PolarHBondContact O-N 2.78Å; L268-L270 VanDerWaalsContact O-N 3.13Å; L268-E271 VanDerWaalsContact O-CB 3.23Å; L268-E271 WeakPolarHBondContact O-CB 3.23Å; L268-E271 PolarHBondContact O-N 3.36Å
269N97.8Very high95.9Very high138 Ų13859.3 Ų59.374%0.73830%0.3SS*.THydrogen-bonded Turntrans-66.7-10.4174.3-71.8-20.3000113.4N265 L267N265-N269 WeakPolarHBondContact O-CB 3.11Å; N265-N269 PolarHBondContact O-N 3.43Å; N265-N269 PolarHBondContact O-ND2 2.94Å; L267-N269 VanDerWaalsContact C-N 3.27Å; L267-N269 PolarHBondContact O-N 3.25Å
270L97.3Very high95.4Very high33 Ų3358.8 Ų58.817%0.17329%0.291CS..THydrogen-bonded Turntrans-92.65.3173.4-60.1176.1000113.1E144 L147 L267 L268 D272 Y273 F274E144-L270 HydrophobicContact CB-CD1 4.09Å; E144-L270 HydrophobicContact CG-CD1 3.52Å; L147-L270 HydrophobicContact CD2-CD1 4.2Å; L147-L270 HydrophobicContact CD2-CD2 3.9Å; L267-L270 WeakPolarHBondContact O-CB 3.33Å; L267-L270 PolarHBondContact O-N 3.23Å; L268-L270 PolarHBondContact O-N 2.78Å; L268-L270 VanDerWaalsContact O-N 3.13Å; L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 3.35Å; L270-Y273 WeakPolarHBondContact O-CB 3.1Å; L270-Y273 PolarHBondContact O-N 3Å; L270-Y273 VanDerWaalsContact O-N 3.08Å; L270-F274 HydrophobicContact CB-CD2 3.98Å; L270-F274 HydrophobicContact CB-CE2 3.87Å; L270-F274 HydrophobicContact CD1-CE2 4.42Å; L270-F274 VanDerWaalsContact O-CD2 3.25Å; L270-F274 WeakPolarHBondContact O-CD2 2.98Å; L270-F274 PolarHBondContact O-N 3.19Å; L270-F274 VanDerWaalsContact O-N 3.09Å
271E97.9Very high94.3Very high27 Ų2757.9 Ų57.913%0.12628%0.284CS..Hα-helixtrans-49-51.6-177.3-173.377.5-179.400112.7R90 P91 S92 L268 Y273 F274 I275R90-E271 WeakPolarHBondContact CD-OE1 3.48Å; R90-E271 WeakPolarHBondContact CG-OE1 3.25Å; R90-E271 IonicContact CZ-OE1 3.06Å; R90-E271 IonicContact NE-OE1 3.06Å; R90-E271 IonicContact NH1-OE1 2.78Å; R90-E271 PolarHBondContact NH1-OE1 3.47Å; P91-E271 VanDerWaalsContact CD-OE2 3.26Å; P91-E271 WeakPolarHBondContact CD-OE2 3.45Å; S92-E271 WeakPolarHBondContact CB-OE1 3.09Å; S92-E271 PolarHBondContact N-OE2 3.38Å; S92-E271 PolarHBondContact OG-OE1 2.94Å; S92-E271 PolarHBondContact OG-OE2 3.27Å; L268-E271 VanDerWaalsContact O-CB 3.23Å; L268-E271 WeakPolarHBondContact O-CB 3.23Å; L268-E271 PolarHBondContact O-N 3.36Å; E271-Y273 VanDerWaalsContact C-N 3.32Å; E271-Y273 PolarHBondContact O-N 3.12Å; E271-F274 PolarHBondContact O-N 3.22Å; E271-F274 VanDerWaalsContact O-N 3.08Å; E271-I275 HydrophobicContact CG-CD1 4Å; E271-I275 WeakPolarHBondContact O-CG1 3.47Å; E271-I275 PolarHBondContact O-N 3.41Å
272D96.9Very high92.7Very high128 Ų12853.2 Ų53.268%0.68427%0.266SS*.Hα-helixtrans-63.7-36.4-178.9-70.7-23.7000112.6L270 F274 I275 E276L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 3.35Å; D272-F274 VanDerWaalsContact C-N 3.32Å; D272-F274 PolarHBondContact O-N 2.92Å; D272-I275 PolarHBondContact O-N 3.23Å; D272-E276 WeakPolarHBondContact O-CB 3.33Å; D272-E276 PolarHBondContact O-N 2.88Å
273Y96Very high90.5Very high58 Ų5850.1 Ų50.123%0.22725%0.251CS..Hα-helixtrans-61.3-43.8173.8166.6-89.7000110.5R56 L147 L270 E271 E276 M277R56-Y273 PolarHBondContact NH1-OH 3.38Å; L147-Y273 HydrophobicContact CD1-CD2 4.41Å; L147-Y273 HydrophobicContact CD1-CE2 3.83Å; L147-Y273 HydrophobicContact CD2-CD1 3.79Å; L147-Y273 HydrophobicContact CD2-CD2 4.02Å; L147-Y273 HydrophobicContact CD2-CE1 3.79Å; L147-Y273 HydrophobicContact CD2-CE2 4Å; L147-Y273 HydrophobicContact CD2-CG 3.91Å; L270-Y273 WeakPolarHBondContact O-CB 3.1Å; L270-Y273 PolarHBondContact O-N 3Å; L270-Y273 VanDerWaalsContact O-N 3.08Å; E271-Y273 VanDerWaalsContact C-N 3.32Å; E271-Y273 PolarHBondContact O-N 3.12Å; Y273-E276 PolarHBondContact O-N 3.2Å; Y273-M277 HydrophobicContact CD1-CG 4.25Å; Y273-M277 HydrophobicContact CD2-CG 4.38Å; Y273-M277 HydrophobicContact CE1-CG 3.78Å; Y273-M277 HydrophobicContact CE2-CG 3.94Å; Y273-M277 HydrophobicContact CE2-SD 4.27Å; Y273-M277 WeakPolarHBondContact O-CB 3.26Å; Y273-M277 VanDerWaalsContact O-CG 3.27Å; Y273-M277 WeakPolarHBondContact O-CG 3.4Å; Y273-M277 PolarHBondContact O-N 3.06Å
274F96.4Very high87.7Confident5 Ų553.8 Ų53.82%0.02227%0.271CS..Hα-helixtrans-68.2-41178.6-79.2-71.5000112.5R90 P91 L140 E143 L267 L270 E271 D272 E276 M277 N278R90-F274 HydrophobicContact CB-CB 4.04Å; P91-F274 VanDerWaalsContact CD-CD2 3.41Å; P91-F274 HydrophobicContact CG-CD2 3.66Å; P91-F274 HydrophobicContact CG-CE2 3.94Å; L140-F274 HydrophobicContact CD2-CD1 3.5Å; L140-F274 HydrophobicContact CD2-CD2 4.07Å; L140-F274 HydrophobicContact CD2-CE1 3.38Å; L140-F274 HydrophobicContact CD2-CE2 3.95Å; L140-F274 HydrophobicContact CD2-CG 3.85Å; L140-F274 HydrophobicContact CD2-CZ 3.61Å; E143-F274 HydrophobicContact CB-CE1 3.55Å; E143-F274 HydrophobicContact CB-CZ 3.8Å; E143-F274 HydrophobicContact CG-CE1 4.21Å; L267-F274 HydrophobicContact CD1-CE2 4.45Å; L270-F274 HydrophobicContact CB-CD2 3.98Å; L270-F274 HydrophobicContact CB-CE2 3.87Å; L270-F274 HydrophobicContact CD1-CE2 4.42Å; L270-F274 VanDerWaalsContact O-CD2 3.25Å; L270-F274 WeakPolarHBondContact O-CD2 2.98Å; L270-F274 PolarHBondContact O-N 3.19Å; L270-F274 VanDerWaalsContact O-N 3.09Å; E271-F274 PolarHBondContact O-N 3.22Å; E271-F274 VanDerWaalsContact O-N 3.08Å; D272-F274 VanDerWaalsContact C-N 3.32Å; D272-F274 PolarHBondContact O-N 2.92Å; F274-E276 VanDerWaalsContact C-N 3.29Å; F274-E276 PolarHBondContact O-N 3.2Å; F274-M277 PolarHBondContact O-N 3.18Å; F274-N278 PolarHBondContact O-N 3.4Å; F274-N278 PolarHBondContact O-ND2 3.36Å; F274-N278 VanDerWaalsContact O-ND2 3.13Å
275I95.1Very high84.8Confident65 Ų6560.1 Ų60.133%0.33331%0.305SS..Hα-helixtrans-57.3-44.4173.2-69.5170000110.7E271 D272 N278E271-I275 HydrophobicContact CG-CD1 4Å; E271-I275 WeakPolarHBondContact O-CG1 3.47Å; E271-I275 PolarHBondContact O-N 3.41Å; D272-I275 PolarHBondContact O-N 3.23Å; I275-N278 WeakPolarHBondContact O-CB 3.41Å; I275-N278 PolarHBondContact O-N 3.38Å
276E93.8Very high81.7Confident58 Ų5862.2 Ų62.227%0.27132%0.324SS..Hα-helixtrans-65.6-43.2177.7-173.459.4-151.100112M1 D272 Y273 F274 N278 K279M1-E276 HydrophobicContact CE-CG 3.21Å; D272-E276 WeakPolarHBondContact O-CB 3.33Å; D272-E276 PolarHBondContact O-N 2.88Å; Y273-E276 PolarHBondContact O-N 3.2Å; F274-E276 VanDerWaalsContact C-N 3.29Å; F274-E276 PolarHBondContact O-N 3.2Å; E276-N278 PolarHBondContact O-N 2.94Å; E276-K279 VanDerWaalsContact O-CB 3.31Å; E276-K279 WeakPolarHBondContact O-CB 3.42Å; E276-K279 WeakPolarHBondContact O-CG 3.42Å; E276-K279 PolarHBondContact O-N 3.41Å; E276-K279 VanDerWaalsContact O-N 3.1Å; E276-K279 IonicContact OE1-NZ 3.76Å; E276-K279 WeakPolarHBondContact OE2-CE 3.27Å; E276-K279 IonicContact OE2-NZ 3.23Å; E276-K279 PolarHBondContact OE2-NZ 3.47Å
277M93.6Very high78.8Confident16 Ų1667.7 Ų67.78%0.07934%0.343CS..Hα-helixtrans-64.2-26.4176.6-71.8-57.5-60.300113C48 F53 Y273 F274 K279 Y280C48-M277 HydrophobicContact CB-CE 3.84Å; C48-M277 HydrophobicContact CB-SD 4.17Å; F53-M277 HydrophobicContact CD2-CE 3.97Å; F53-M277 HydrophobicContact CE2-CE 3.47Å; F53-M277 VanDerWaalsContact CE2-CE 3.47Å; F53-M277 HydrophobicContact CZ-CE 3.86Å; Y273-M277 HydrophobicContact CD1-CG 4.25Å; Y273-M277 HydrophobicContact CD2-CG 4.38Å; Y273-M277 HydrophobicContact CE1-CG 3.78Å; Y273-M277 HydrophobicContact CE2-CG 3.94Å; Y273-M277 HydrophobicContact CE2-SD 4.27Å; Y273-M277 WeakPolarHBondContact O-CB 3.26Å; Y273-M277 VanDerWaalsContact O-CG 3.27Å; Y273-M277 WeakPolarHBondContact O-CG 3.4Å; Y273-M277 PolarHBondContact O-N 3.06Å; F274-M277 PolarHBondContact O-N 3.18Å; M277-K279 PolarHBondContact O-N 3.49Å; M277-Y280 PolarHBondContact O-N 3.26Å; M277-Y280 HydrophobicContact SD-CD2 4.48Å
278N91.6Very high75.9Confident32 Ų3271.1 Ų71.117%0.17137%0.367CS..THydrogen-bonded Turntrans-70.6-13.4175.3-69.4-30.3000113.6F86 L89 F274 I275 E276 Y280 Y282F86-N278 PolarHBondContact O-OD1 3.37Å; L89-N278 PolarHBondContact N-ND2 2.89Å; L89-N278 PolarHBondContact O-ND2 3.04Å; L89-N278 PolarHBondContact O-OD1 2.82Å; F274-N278 PolarHBondContact O-N 3.4Å; F274-N278 PolarHBondContact O-ND2 3.36Å; F274-N278 VanDerWaalsContact O-ND2 3.13Å; I275-N278 WeakPolarHBondContact O-CB 3.41Å; I275-N278 PolarHBondContact O-N 3.38Å; E276-N278 PolarHBondContact O-N 2.94Å; N278-Y280 PolarHBondContact O-N 2.95Å; N278-Y282 WeakPolarHBondContact O-CD2 3.46Å
279K89.2Confident72.8Confident95 Ų9577 Ų7741%0.41340%0.399SS..THydrogen-bonded Turntrans-67.3-18.7171.6-62.4177.9-179.3173.20112.2E276 M277 Y282E276-K279 VanDerWaalsContact O-CB 3.31Å; E276-K279 WeakPolarHBondContact O-CB 3.42Å; E276-K279 WeakPolarHBondContact O-CG 3.42Å; E276-K279 PolarHBondContact O-N 3.41Å; E276-K279 VanDerWaalsContact O-N 3.1Å; E276-K279 IonicContact OE1-NZ 3.76Å; E276-K279 WeakPolarHBondContact OE2-CE 3.27Å; E276-K279 IonicContact OE2-NZ 3.23Å; E276-K279 PolarHBondContact OE2-NZ 3.47Å; M277-K279 PolarHBondContact O-N 3.49Å; K279-Y282 CarbonylContact O-C 3.57Å; K279-Y282 WeakPolarHBondContact O-CA 3.42Å; K279-Y282 PolarHBondContact O-N 3.11Å
280Y87.5Confident69.9Low43 Ų4381.8 Ų81.817%0.16942%0.422CS..SBendtrans-99.2140.3177.1-57.3-70.2000112.2G47 C48 Y76 M277 N278 Y282G47-Y280 VanDerWaalsContact C-CE1 3.44Å; G47-Y280 WeakPolarHBondContact O-CE1 3.42Å; C48-Y280 HydrophobicContact CB-CD2 4.09Å; C48-Y280 HydrophobicContact CB-CE2 3.85Å; Y76-Y280 VanDerWaalsContact CE1-CB 3.44Å; Y76-Y280 HydrophobicContact CE1-CG 4.47Å; M277-Y280 PolarHBondContact O-N 3.26Å; M277-Y280 HydrophobicContact SD-CD2 4.48Å; N278-Y280 PolarHBondContact O-N 2.95Å; Y280-Y282 VanDerWaalsContact C-N 3.3Å
281P72.3Confident68.5Low16 Ų1684.3 Ų84.310%0.10444%0.435CS..SBendcis-90.118.60.337.8-33000112.4Q46 Y76 L80 H283Q46-P281 HydrophobicContact CB-CB 4.41Å; Q46-P281 WeakPolarHBondContact O-CB 3.49Å; Q46-P281 PolarHBondContact OE1-O 2.87Å; Y76-P281 HydrophobicContact CD1-CB 3.93Å; Y76-P281 HydrophobicContact CD1-CG 4.15Å; Y76-P281 HydrophobicContact CG-CB 4.33Å; L80-P281 HydrophobicContact CD1-CG 3.77Å; L80-P281 HydrophobicContact CD2-CG 3.6Å; L80-P281 HydrophobicContact CG-CG 3.51Å; P281-H283 PolarHBondContact O-N 3.15Å
282Y61.1Low67Low80 Ų8087.3 Ų87.331%0.31445%0.451SS..  trans-75.936.7-169.6-55.7-75.7000115.4L80 N278 K279 Y280 I284L80-Y282 HydrophobicContact CD2-CD1 4.25Å; L80-Y282 HydrophobicContact CD2-CE1 3.68Å; N278-Y282 WeakPolarHBondContact O-CD2 3.46Å; K279-Y282 CarbonylContact O-C 3.57Å; K279-Y282 WeakPolarHBondContact O-CA 3.42Å; K279-Y282 PolarHBondContact O-N 3.11Å; Y280-Y282 VanDerWaalsContact C-N 3.3Å; Y282-I284 PolarHBondContact O-N 2.92Å
283H51Low65.3Low97 Ų9785 Ų8545%0.44944%0.438SS..  trans-8461.8164.7-84.4-69.2000110.1Q46 P281 N285Q46-H283 PolarHBondContact NE2-O 3.01Å; Q46-H283 PolarHBondContact OE1-O 3Å; P281-H283 PolarHBondContact O-N 3.15Å; H283-N285 VanDerWaalsContact C-N 3.28Å; H283-N285 PolarHBondContact O-N 3.15Å
284I38.1Very low63.5Low100 Ų10086.6 Ų86.651%0.51345%0.45SS..  trans-62.591174.3-59.5177.5000109Y282 I287Y282-I284 PolarHBondContact O-N 2.92Å; I284-I287 HydrophobicContact CD1-CD1 4.02Å; I284-I287 HydrophobicContact CD1-CG1 4.26Å; I284-I287 HydrophobicContact CG2-CB 4.48Å; I284-I287 HydrophobicContact CG2-CD1 3.75Å; I284-I287 HydrophobicContact CG2-CG1 3.5Å; I284-I287 VanDerWaalsContact CG2-CG1 3.5Å
285N36.1Very low61.5Low144 Ų14491.7 Ų91.777%0.7748%0.477SS*.SBendtrans-95.3112.6146.6-74.5-26.4000104.5H283H283-N285 VanDerWaalsContact C-N 3.28Å; H283-N285 PolarHBondContact O-N 3.15Å
286S33.5Very low59.2Low95 Ų9593.5 Ų93.566%0.66449%0.487SS*.  trans71.893.6-179.870.10000118.5S288S286-S288 PolarHBondContact O-N 3.43Å
287I34.1Very low56.7Low150 Ų15096 Ų9677%0.76950%0.502SS*.  trans-73.669.7148.6-65.9150000107.8I284I284-I287 HydrophobicContact CD1-CD1 4.02Å; I284-I287 HydrophobicContact CD1-CG1 4.26Å; I284-I287 HydrophobicContact CG2-CB 4.48Å; I284-I287 HydrophobicContact CG2-CD1 3.75Å; I284-I287 HydrophobicContact CG2-CG1 3.5Å; I284-I287 VanDerWaalsContact CG2-CG1 3.5Å
288S37.1Very low53.9Low74 Ų74102.2 Ų102.252%0.51754%0.535SS..  trans-142.7102.9159.857.60000103.8S286S286-S288 PolarHBondContact O-N 3.43Å
289D33Very low50.8Low162 Ų162108 Ų10887%0.86657%0.565SS**  trans134.235.7168.2-60.1-15.5000114.5
290I36.2Very low47.3Very low240 Ų240109.2 Ų109.2100%1.23158%0.579SS**  trans-120.60149.6-59.2174.8000106.7

Retrieved 290 of 290 residues in 483.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).