A0A087XL44_POEFO Loading...

Rho GTPase-activating protein 26

AlphaFold DB , UniProt , Accession A0A087XL44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 785 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.6Very low87Confident245 Ų24574 Ų74100%1.20744%0.441SS*.  0154.70-68.9-172.3-78.800108.2
2G78.1Confident87.3Confident75 Ų7578.3 Ų78.377%0.77345%0.445SS*.PPolyproline II helixtrans-71.3172.4173.400000112.3
3L87.1Confident87.7Confident71 Ų7182.8 Ų82.837%0.37247%0.466SS..PPolyproline II helixtrans-72.1141.9167.4-66.5174.4000109.6H25 E28L3-H25 HydrophobicContact CD1-CB 4.45Å; L3-E28 HydrophobicContact CD1-CB 3.88Å; L3-E28 HydrophobicContact CD1-CG 4.17Å
4P89.5Confident88.2Confident67 Ų6779.9 Ų79.944%0.43545%0.448SS..PPolyproline II helixtrans-66.7153.2171.930.2-35.6000110.8R21 H25P4-R21 HydrophobicContact CB-CG 4.43Å; P4-R21 HydrophobicContact CG-CB 4.37Å; P4-R21 HydrophobicContact CG-CG 3.67Å; P4-H25 PolarHBondContact O-NE2 3.5Å
5A89.4Confident88.7Confident63 Ų6376.3 Ų76.352%0.52143%0.431SS..PPolyproline II helixtrans-60.9157.8175.200000112.3R21A5-R21 WeakPolarHBondContact O-CD 3.28Å
6L93.6Very high89.1Confident4 Ų477.1 Ų77.12%0.02144%0.44CS..  trans-107.9106.6170.9-64.9172.4000107.4F18 R21 L22 H25 V182 V185 Q186L6-F18 HydrophobicContact CD2-CD2 4.4Å; L6-F18 HydrophobicContact CD2-CE2 4.26Å; L6-R21 HydrophobicContact CD2-CB 3.76Å; L6-L22 HydrophobicContact CD1-CD1 3.8Å; L6-L22 HydrophobicContact CD2-CB 4.3Å; L6-L22 HydrophobicContact CD2-CD1 4.36Å; L6-H25 HydrophobicContact CD1-CB 4.38Å; L6-V182 HydrophobicContact CB-CG1 3.66Å; L6-V182 HydrophobicContact CD1-CG1 4.34Å; L6-V185 HydrophobicContact CD1-CB 4.45Å; L6-V185 HydrophobicContact CD1-CG1 3.89Å; L6-Q186 PolarHBondContact O-NE2 2.85Å
7E93.2Very high89.4Confident106 Ų10679.5 Ų79.550%0.49545%0.447SS..  trans-81.8138.2-178.6-61.7-58.7148.600110.8S9 D10E7-S9 WeakPolarHBondContact CB-OG 3.2Å; E7-S9 PolarHBondContact O-N 3.44Å; E7-D10 WeakPolarHBondContact O-CB 3.28Å; E7-D10 PolarHBondContact O-N 3.32Å; E7-D10 VanDerWaalsContact O-N 3.09Å
8F94.8Very high89.8Confident86 Ų8675.1 Ų75.138%0.37742%0.422SS..THydrogen-bonded Turntrans-64-24.1174.9-69.7-56.2000112.6C11 L179 V182 F183F8-C11 WeakPolarHBondContact O-CB 3.22Å; F8-C11 PolarHBondContact O-N 2.92Å; F8-L179 HydrophobicContact CB-CD2 3.71Å; F8-L179 HydrophobicContact CD1-CD2 3.61Å; F8-L179 HydrophobicContact CG-CD2 4.03Å; F8-V182 HydrophobicContact CD1-CB 4.41Å; F8-V182 HydrophobicContact CD1-CG1 4.01Å; F8-V182 HydrophobicContact CE1-CB 4.21Å; F8-V182 HydrophobicContact CE1-CG1 3.84Å; F8-F183 HydrophobicContact CE1-CB 4.04Å; F8-F183 HydrophobicContact CZ-CB 4.07Å; F8-F183 HydrophobicContact CZ-CD2 4.41Å
9S93.4Very high90.1Very high77 Ų7773.5 Ų73.554%0.53841%0.409SS..THydrogen-bonded Turntrans-68-32.7173.251.40000113.1E7 C11 Y12E7-S9 WeakPolarHBondContact CB-OG 3.2Å; E7-S9 PolarHBondContact O-N 3.44Å; S9-C11 PolarHBondContact O-N 3.07Å; S9-Y12 PolarHBondContact O-N 2.69Å
10D94.1Very high90.4Very high20 Ų2074 Ų7411%0.10741%0.41CS..Hα-helixtrans-61.4-30.7176.3-74.5-44.8000111.9E7 Y12 L13 D14 F18 R21E7-D10 WeakPolarHBondContact O-CB 3.28Å; E7-D10 PolarHBondContact O-N 3.32Å; E7-D10 VanDerWaalsContact O-N 3.09Å; D10-Y12 PolarHBondContact O-N 3.44Å; D10-L13 PolarHBondContact O-N 2.94Å; D10-L13 VanDerWaalsContact O-N 3.08Å; D10-D14 PolarHBondContact O-N 2.87Å; D10-F18 HydrophobicContact CB-CB 3.82Å; D10-F18 HydrophobicContact CB-CD1 4.45Å; D10-F18 HydrophobicContact CB-CD2 3.29Å; D10-F18 HydrophobicContact CB-CE2 3.91Å; D10-F18 HydrophobicContact CB-CG 3.6Å; D10-R21 IonicContact OD1-NH2 3.89Å; D10-R21 PolarHBondContact OD1-NH2 3.01Å; D10-R21 IonicContact OD2-CZ 3.94Å; D10-R21 IonicContact OD2-NE 3.02Å; D10-R21 IonicContact OD2-NH2 2.97Å; D10-R21 PolarHBondContact OD2-NH2 3.13Å
11C94.4Very high90.6Very high0 Ų073.5 Ų73.50%040%0.402CS..Hα-helixtrans-60.9-27.1-176.9-61.50000113F8 S9 Y175 S178 L179F8-C11 WeakPolarHBondContact O-CB 3.22Å; F8-C11 PolarHBondContact O-N 2.92Å; S9-C11 PolarHBondContact O-N 3.07Å; C11-Y175 WeakPolarHBondContact O-CD1 3.43Å; C11-S178 WeakPolarHBondContact CB-OG 3.4Å; C11-L179 HydrophobicContact CB-CD2 3.89Å; C11-L179 HydrophobicContact CB-CG 4.36Å
12Y90.8Very high92.8Very high125 Ų12562 Ų6249%0.4935%0.345SS..Hα-helixtrans-79.5-33.9176.5-69.4-84.7000113.1S9 D10 Y175S9-Y12 PolarHBondContact O-N 2.69Å; D10-Y12 PolarHBondContact O-N 3.44Å; Y12-Y175 HydrophobicContact CD1-CD1 4.27Å; Y12-Y175 AromaticContact CD1-CD2 3.72Å; Y12-Y175 HydrophobicContact CD1-CD2 3.72Å; Y12-Y175 HydrophobicContact CD1-CE1 4.4Å; Y12-Y175 AromaticContact CD1-CE2 3.86Å; Y12-Y175 HydrophobicContact CD1-CE2 3.86Å; Y12-Y175 AromaticContact CD1-CG 3.93Å; Y12-Y175 HydrophobicContact CD1-CG 3.93Å; Y12-Y175 AromaticContact CE1-CD2 3.95Å; Y12-Y175 HydrophobicContact CE1-CD2 3.95Å; Y12-Y175 HydrophobicContact CE1-CE2 4.46Å; Y12-Y175 HydrophobicContact CE1-CG 4.18Å; Y12-Y175 VanDerWaalsContact O-CE1 3.31Å; Y12-Y175 WeakPolarHBondContact O-CE1 3.47Å; Y12-Y175 PolarHBondContact O-OH 2.78Å
13L91.8Very high93.7Very high138 Ų13863.8 Ų63.872%0.72333%0.332SS*.Hα-helixtrans-84-25.2179.9-64.1176.5000112.5D10 S15D10-L13 PolarHBondContact O-N 2.94Å; D10-L13 VanDerWaalsContact O-N 3.08Å; L13-S15 PolarHBondContact O-N 3.48Å; L13-S15 VanDerWaalsContact O-N 3.1Å
14D94.6Very high94Very high41 Ų4162.8 Ų62.822%0.21933%0.331CS..THydrogen-bonded Turntrans46.438.2-178.3-160.331.5000114.1D10 R19 F174D10-D14 PolarHBondContact O-N 2.87Å; D14-R19 IonicContact OD1-CZ 3.57Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3Å; D14-R19 IonicContact OD1-NH2 2.65Å; D14-R19 PolarHBondContact OD1-NH2 2.9Å; D14-R19 IonicContact OD2-CZ 2.64Å; D14-R19 IonicContact OD2-NE 3.99Å; D14-R19 PolarHBondContact OD2-NE 3.46Å; D14-R19 IonicContact OD2-NH2 3.26Å; D14-R19 PolarHBondContact OD2-NH2 3.3Å; D14-F174 HydrophobicContact CB-CE1 4.35Å; D14-F174 HydrophobicContact CB-CZ 4.39Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.49Å
15S95.8Very high94.3Very high26 Ų2660.5 Ų60.518%0.18232%0.315CS..  trans-63.2151.2-170.368.60000112.6L13 Q17 F18 R19L13-S15 PolarHBondContact O-N 3.48Å; L13-S15 VanDerWaalsContact O-N 3.1Å; S15-Q17 PolarHBondContact O-N 3.48Å; S15-F18 WeakPolarHBondContact O-CA 3.48Å; S15-F18 WeakPolarHBondContact O-CB 3.38Å; S15-F18 PolarHBondContact O-N 2.96Å; S15-F18 WeakPolarHBondContact OG-CB 3.29Å; S15-F18 PolarHBondContact OG-N 3.48Å; S15-R19 PolarHBondContact O-N 3.19Å
16P95.9Very high94.6Very high89 Ų8959.2 Ų59.258%0.57830%0.298SS*.Hα-helixtrans-53-37.9172.3-27.535.6000112.6R19 D20P16-R19 PolarHBondContact O-N 2.95Å; P16-D20 WeakPolarHBondContact O-CB 3.37Å; P16-D20 PolarHBondContact O-N 2.92Å
17Q94.8Very high94.6Very high119 Ų11964.1 Ų64.156%0.55632%0.323SS*.Hα-helixtrans-65.8-38.6177.1-63.378.46.700112.1S15 R21S15-Q17 PolarHBondContact O-N 3.48Å; Q17-R21 WeakPolarHBondContact O-CG 3.38Å; Q17-R21 PolarHBondContact O-N 2.94Å
18F95.9Very high94.6Very high0 Ų061.8 Ų61.80%031%0.313CS..Hα-helixtrans-65.7-47.6171.4163.8-107.1000111.7L6 D10 S15 D20 R21 L22 V182L6-F18 HydrophobicContact CD2-CD2 4.4Å; L6-F18 HydrophobicContact CD2-CE2 4.26Å; D10-F18 HydrophobicContact CB-CB 3.82Å; D10-F18 HydrophobicContact CB-CD1 4.45Å; D10-F18 HydrophobicContact CB-CD2 3.29Å; D10-F18 HydrophobicContact CB-CE2 3.91Å; D10-F18 HydrophobicContact CB-CG 3.6Å; S15-F18 WeakPolarHBondContact O-CA 3.48Å; S15-F18 WeakPolarHBondContact O-CB 3.38Å; S15-F18 PolarHBondContact O-N 2.96Å; S15-F18 WeakPolarHBondContact OG-CB 3.29Å; S15-F18 PolarHBondContact OG-N 3.48Å; F18-D20 PolarHBondContact O-N 3.02Å; F18-R21 WeakPolarHBondContact O-CB 3.49Å; F18-R21 PolarHBondContact O-N 3.33Å; F18-R21 VanDerWaalsContact O-N 3.11Å; F18-L22 HydrophobicContact CE1-CD2 4.27Å; F18-L22 HydrophobicContact CZ-CD2 4.13Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.37Å; F18-V182 HydrophobicContact CE2-CG2 3.89Å; F18-V182 HydrophobicContact CZ-CG2 3.71Å
19R95.8Very high94.5Very high45 Ų4558.5 Ų58.517%0.1730%0.299CS..Hα-helixtrans-57.8-35.9175.9-71.5-76.8-172.5161.1-2.7111.8D14 S15 P16 L22 K23 Y134 T138D14-R19 IonicContact OD1-CZ 3.57Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3Å; D14-R19 IonicContact OD1-NH2 2.65Å; D14-R19 PolarHBondContact OD1-NH2 2.9Å; D14-R19 IonicContact OD2-CZ 2.64Å; D14-R19 IonicContact OD2-NE 3.99Å; D14-R19 PolarHBondContact OD2-NE 3.46Å; D14-R19 IonicContact OD2-NH2 3.26Å; D14-R19 PolarHBondContact OD2-NH2 3.3Å; S15-R19 PolarHBondContact O-N 3.19Å; P16-R19 PolarHBondContact O-N 2.95Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-K23 VanDerWaalsContact O-CG 3.24Å; R19-K23 WeakPolarHBondContact O-CG 3.43Å; R19-K23 PolarHBondContact O-N 2.8Å; R19-Y134 PolarHBondContact NE-OH 3.48Å; R19-Y134 VanDerWaalsContact NE-OH 3.15Å; R19-Y134 VanDerWaalsContact NH1-CE1 3.3Å; R19-Y134 VanDerWaalsContact NH1-CZ 3.34Å; R19-Y134 PolarHBondContact NH1-OH 3.41Å; R19-Y134 PolarHBondContact NH2-OH 3.02Å; R19-T138 PolarHBondContact NH1-OG1 2.79Å; R19-T138 PolarHBondContact NH2-OG1 3.47Å; R19-T138 VanDerWaalsContact NH2-OG1 3.08Å
20D95.6Very high94.6Very high82 Ų8257.5 Ų57.544%0.43929%0.287SS..Hα-helixtrans-76-33.6175.9-72.1-18.7000113.6P16 F18 K23 S24P16-D20 WeakPolarHBondContact O-CB 3.37Å; P16-D20 PolarHBondContact O-N 2.92Å; F18-D20 PolarHBondContact O-N 3.02Å; D20-K23 IonicContact OD1-NZ 2.78Å; D20-K23 PolarHBondContact OD1-NZ 3.5Å; D20-S24 PolarHBondContact O-N 2.88Å; D20-S24 PolarHBondContact O-OG 3.23Å
21R95.6Very high94.6Very high65 Ų6561.6 Ų61.625%0.24530%0.304CS..Hα-helixtrans-59.7-47.1165.9-71.8-165.8-75.4-86.112.6110.6P4 A5 L6 D10 Q17 F18 S24 H25P4-R21 HydrophobicContact CB-CG 4.43Å; P4-R21 HydrophobicContact CG-CB 4.37Å; P4-R21 HydrophobicContact CG-CG 3.67Å; A5-R21 WeakPolarHBondContact O-CD 3.28Å; L6-R21 HydrophobicContact CD2-CB 3.76Å; D10-R21 IonicContact OD1-NH2 3.89Å; D10-R21 PolarHBondContact OD1-NH2 3.01Å; D10-R21 IonicContact OD2-CZ 3.94Å; D10-R21 IonicContact OD2-NE 3.02Å; D10-R21 IonicContact OD2-NH2 2.97Å; D10-R21 PolarHBondContact OD2-NH2 3.13Å; Q17-R21 WeakPolarHBondContact O-CG 3.38Å; Q17-R21 PolarHBondContact O-N 2.94Å; F18-R21 WeakPolarHBondContact O-CB 3.49Å; F18-R21 PolarHBondContact O-N 3.33Å; F18-R21 VanDerWaalsContact O-N 3.11Å; R21-S24 VanDerWaalsContact O-CB 3.3Å; R21-S24 WeakPolarHBondContact O-CB 3.32Å; R21-S24 PolarHBondContact O-N 3.27Å; R21-S24 VanDerWaalsContact O-N 3.08Å; R21-H25 PolarHBondContact O-CD2 3.27Å; R21-H25 PolarHBondContact O-N 2.88Å
22L95.6Very high94.5Very high2 Ų262.8 Ų62.81%0.0131%0.312CS..Hα-helixtrans-61.7-49.1-178.5-170.359.4000111.9L6 F18 R19 S24 H25 E26 Y134 Y181 V182L6-L22 HydrophobicContact CD1-CD1 3.8Å; L6-L22 HydrophobicContact CD2-CB 4.3Å; L6-L22 HydrophobicContact CD2-CD1 4.36Å; F18-L22 HydrophobicContact CE1-CD2 4.27Å; F18-L22 HydrophobicContact CZ-CD2 4.13Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.37Å; R19-L22 PolarHBondContact O-N 3.37Å; L22-S24 PolarHBondContact O-N 3.22Å; L22-H25 PolarHBondContact O-N 3.33Å; L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 3.14Å; L22-Y134 HydrophobicContact CD2-CE1 3.59Å; L22-Y134 WeakPolarHBondContact CD2-OH 3.43Å; L22-Y181 HydrophobicContact CD1-CD1 4.39Å; L22-Y181 HydrophobicContact CD1-CE1 3.91Å; L22-Y181 HydrophobicContact CD2-CD1 4.19Å; L22-Y181 HydrophobicContact CD2-CE1 3.84Å; L22-Y181 HydrophobicContact CG-CE1 4.05Å; L22-V182 HydrophobicContact CD1-CG2 4.36Å
23K95.3Very high94.6Very high113 Ų11358 Ų5849%0.49129%0.294SS..Hα-helixtrans-53.4-35171.3-71167.1-158163.80113.1R19 D20 E26 L27R19-K23 VanDerWaalsContact O-CG 3.24Å; R19-K23 WeakPolarHBondContact O-CG 3.43Å; R19-K23 PolarHBondContact O-N 2.8Å; D20-K23 IonicContact OD1-NZ 2.78Å; D20-K23 PolarHBondContact OD1-NZ 3.5Å; K23-E26 PolarHBondContact O-N 3.17Å; K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 PolarHBondContact O-N 3.46Å
24S95.3Very high94.8Very high50 Ų5058 Ų5835%0.3529%0.289SS..Hα-helixtrans-69.9-37179.5-56.80000112.1D20 R21 L22 E28D20-S24 PolarHBondContact O-N 2.88Å; D20-S24 PolarHBondContact O-OG 3.23Å; R21-S24 VanDerWaalsContact O-CB 3.3Å; R21-S24 WeakPolarHBondContact O-CB 3.32Å; R21-S24 PolarHBondContact O-N 3.27Å; R21-S24 VanDerWaalsContact O-N 3.08Å; L22-S24 PolarHBondContact O-N 3.22Å; S24-E28 PolarHBondContact O-N 3.11Å
25H95.3Very high94.8Very high20 Ų2062.3 Ų62.39%0.09331%0.305CS..Hα-helixtrans-69.1-41.4171.3-79-86.5000112.7L3 P4 L6 R21 L22 L27 E28 L29 V185L3-H25 HydrophobicContact CD1-CB 4.45Å; P4-H25 PolarHBondContact O-NE2 3.5Å; L6-H25 HydrophobicContact CD1-CB 4.38Å; R21-H25 PolarHBondContact O-CD2 3.27Å; R21-H25 PolarHBondContact O-N 2.88Å; L22-H25 PolarHBondContact O-N 3.33Å; H25-L27 PolarHBondContact O-N 3.01Å; H25-E28 PolarHBondContact O-N 2.96Å; H25-L29 PolarHBondContact O-N 3.5Å; H25-V185 HydrophobicContact CB-CG1 3.73Å
26E94.6Very high94.7Very high35 Ų3561.1 Ų61.116%0.16430%0.297CS..Hα-helixtrans-58.8-46.3174.9-69.2175.217000112.6L22 K23 E28 L29 D30 K131 Y181L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 3.14Å; K23-E26 PolarHBondContact O-N 3.17Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.76Å; E26-L29 WeakPolarHBondContact O-CB 3Å; E26-L29 PolarHBondContact O-N 3.07Å; E26-D30 PolarHBondContact O-N 3.43Å; E26-K131 HydrophobicContact CG-CD 4.46Å; E26-K131 WeakPolarHBondContact OE1-CD 3.2Å; E26-K131 WeakPolarHBondContact OE1-CE 3.43Å; E26-K131 IonicContact OE1-NZ 3.9Å; E26-K131 PolarHBondContact OE1-NZ 3.33Å; E26-K131 IonicContact OE2-NZ 2.95Å; E26-K131 PolarHBondContact OE2-NZ 2.84Å; E26-Y181 WeakPolarHBondContact CG-OH 3.35Å; E26-Y181 PolarHBondContact OE1-OH 3.36Å
27L94.9Very high94.7Very high108 Ų10861.9 Ų61.957%0.56529%0.291SS*.Hα-helixtrans-61.4-37.7178.7179.461.8000111.3K23 H25 K31K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 PolarHBondContact O-N 3.46Å; H25-L27 PolarHBondContact O-N 3.01Å; L27-K31 WeakPolarHBondContact O-CG 3.4Å; L27-K31 PolarHBondContact O-N 2.98Å; L27-K31 VanDerWaalsContact O-N 3.08Å
28E92.9Very high94.9Very high57 Ų5759.4 Ų59.427%0.26628%0.28SS..Hα-helixtrans-70.6-42.5176-162.959.9-151.900111.9L3 S24 H25 E26 D30 K31 T32L3-E28 HydrophobicContact CD1-CB 3.88Å; L3-E28 HydrophobicContact CD1-CG 4.17Å; S24-E28 PolarHBondContact O-N 3.11Å; H25-E28 PolarHBondContact O-N 2.96Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.76Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 3.49Å; E28-K31 WeakPolarHBondContact O-CB 3.34Å; E28-K31 PolarHBondContact O-N 2.9Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 WeakPolarHBondContact OE2-CE 3.3Å; E28-K31 IonicContact OE2-NZ 2.62Å; E28-K31 PolarHBondContact OE2-NZ 3.35Å; E28-T32 PolarHBondContact O-N 3.42Å; E28-T32 PolarHBondContact O-OG1 3.14Å; E28-T32 VanDerWaalsContact O-OG1 3.06Å
29L93.1Very high94.8Very high16 Ų1661.9 Ų61.98%0.08429%0.293CS..Hα-helixtrans-56.8-40.5173.5-173.773.6000111.6H25 E26 T32 N33 I124 A127 V188H25-L29 PolarHBondContact O-N 3.5Å; E26-L29 WeakPolarHBondContact O-CB 3Å; E26-L29 PolarHBondContact O-N 3.07Å; L29-T32 PolarHBondContact O-N 3.32Å; L29-N33 WeakPolarHBondContact O-CB 3.43Å; L29-N33 PolarHBondContact O-N 3.04Å; L29-I124 HydrophobicContact CD1-CG1 4.3Å; L29-I124 HydrophobicContact CG-CG2 4.49Å; L29-A127 HydrophobicContact CD2-CB 3.78Å; L29-V188 HydrophobicContact CD1-CB 4.36Å; L29-V188 HydrophobicContact CD1-CG1 3.65Å
30D94.2Very high94.8Very high56 Ų5660.3 Ų60.330%0.29929%0.288SS..Hα-helixtrans-76.4-25.9177.8-111.2-33.3000114.3E26 E28 N33 K34 K128E26-D30 PolarHBondContact O-N 3.43Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 3.49Å; D30-N33 PolarHBondContact OD1-ND2 2.88Å; D30-K34 WeakPolarHBondContact O-CD 3.45Å; D30-K34 VanDerWaalsContact O-CG 3.27Å; D30-K34 WeakPolarHBondContact O-CG 3.29Å; D30-K34 PolarHBondContact O-N 2.95Å; D30-K128 WeakPolarHBondContact OD1-CE 3.24Å; D30-K128 IonicContact OD1-NZ 3.33Å; D30-K128 PolarHBondContact OD1-NZ 2.88Å; D30-K128 IonicContact OD2-NZ 2.74Å; D30-K128 PolarHBondContact OD2-NZ 3.27Å
31K94.1Very high94.9Very high106 Ų10661.9 Ų61.946%0.46129%0.29SS..Hα-helixtrans-65.1-49.5164.6-69.7174.7-147.8159.30110.3L27 E28 N33 K34 F35L27-K31 WeakPolarHBondContact O-CG 3.4Å; L27-K31 PolarHBondContact O-N 2.98Å; L27-K31 VanDerWaalsContact O-N 3.08Å; E28-K31 WeakPolarHBondContact O-CB 3.34Å; E28-K31 PolarHBondContact O-N 2.9Å; E28-K31 VanDerWaalsContact O-N 3.14Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 WeakPolarHBondContact OE2-CE 3.3Å; E28-K31 IonicContact OE2-NZ 2.62Å; E28-K31 PolarHBondContact OE2-NZ 3.35Å; K31-N33 PolarHBondContact O-N 3.33Å; K31-K34 PolarHBondContact O-N 3.36Å; K31-K34 VanDerWaalsContact O-N 3.12Å; K31-F35 WeakPolarHBondContact O-CB 3.39Å; K31-F35 PolarHBondContact O-N 2.64Å
32T92.3Very high95Very high26 Ų2663 Ų6316%0.1630%0.301CS..Hα-helixtrans-57.7-46.1179.1-58.10000111.4E28 L29 K34 F35 I36E28-T32 PolarHBondContact O-N 3.42Å; E28-T32 PolarHBondContact O-OG1 3.14Å; E28-T32 VanDerWaalsContact O-OG1 3.06Å; L29-T32 PolarHBondContact O-N 3.32Å; T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 2.94Å; T32-F35 PolarHBondContact O-N 3.08Å; T32-I36 HydrophobicContact CG2-CD1 3.67Å; T32-I36 HydrophobicContact CG2-CG1 4.24Å; T32-I36 WeakPolarHBondContact O-CB 3.27Å; T32-I36 VanDerWaalsContact O-CG1 3.3Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 3.21Å
33N94.1Very high95Very high24 Ų2463.2 Ų63.213%0.12831%0.305CS..Hα-helixtrans-53.8-45.3173.3173.629.3000113.1L29 D30 K31 K37 R120 I124L29-N33 WeakPolarHBondContact O-CB 3.43Å; L29-N33 PolarHBondContact O-N 3.04Å; D30-N33 PolarHBondContact OD1-ND2 2.88Å; K31-N33 PolarHBondContact O-N 3.33Å; N33-K37 WeakPolarHBondContact O-CB 3.42Å; N33-K37 PolarHBondContact O-N 3.16Å; N33-K37 VanDerWaalsContact O-N 3.17Å; N33-R120 PolarHBondContact OD1-NE 2.99Å; N33-R120 PolarHBondContact OD1-NH2 3.32Å; N33-I124 HydrophobicContact CB-CD1 4.15Å; N33-I124 HydrophobicContact CB-CG2 3.97Å
34K95.8Very high95Very high139 Ų13962.2 Ų62.260%0.60430%0.3SS*.Hα-helixtrans-68.3-45.3177.8-70.9167.4-174.5173.30111.5D30 K31 T32 K37 E38D30-K34 WeakPolarHBondContact O-CD 3.45Å; D30-K34 VanDerWaalsContact O-CG 3.27Å; D30-K34 WeakPolarHBondContact O-CG 3.29Å; D30-K34 PolarHBondContact O-N 2.95Å; K31-K34 PolarHBondContact O-N 3.36Å; K31-K34 VanDerWaalsContact O-N 3.12Å; T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 2.94Å; K34-K37 WeakPolarHBondContact O-CB 3.37Å; K34-K37 PolarHBondContact O-N 3.02Å; K34-E38 PolarHBondContact O-N 3.29Å; K34-E38 VanDerWaalsContact O-N 3.15Å
35F94.6Very high95.1Very high130 Ų13062.7 Ų62.757%0.5731%0.307SS*.Hα-helixtrans-61.4-49.6179.4-178.7-108.9000111.9K31 T32 K37 E38 L39 F196K31-F35 WeakPolarHBondContact O-CB 3.39Å; K31-F35 PolarHBondContact O-N 2.64Å; T32-F35 PolarHBondContact O-N 3.08Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.41Å; F35-E38 PolarHBondContact O-N 3.21Å; F35-L39 HydrophobicContact CE1-CD2 4.47Å; F35-L39 WeakPolarHBondContact O-CB 3.36Å; F35-L39 PolarHBondContact O-N 3.49Å; F35-F196 HydrophobicContact CD1-CZ 4.37Å; F35-F196 AromaticContact CE1-CZ 3.85Å; F35-F196 HydrophobicContact CE1-CZ 3.85Å
36I94.1Very high95.2Very high1 Ų165.4 Ų65.41%0.00532%0.322CS..Hα-helixtrans-60.2-39.6177-66.5177.7000111.1T32 E38 L39 I40 L116 F119 R120 I124 F196T32-I36 HydrophobicContact CG2-CD1 3.67Å; T32-I36 HydrophobicContact CG2-CG1 4.24Å; T32-I36 WeakPolarHBondContact O-CB 3.27Å; T32-I36 VanDerWaalsContact O-CG1 3.3Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 3.21Å; I36-E38 PolarHBondContact O-N 3.34Å; I36-L39 PolarHBondContact O-N 3Å; I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 HydrophobicContact CG2-CG1 4.34Å; I36-I40 WeakPolarHBondContact O-CD1 3.35Å; I36-I40 VanDerWaalsContact O-CG1 3.22Å; I36-I40 WeakPolarHBondContact O-CG1 3.34Å; I36-I40 PolarHBondContact O-N 3.46Å; I36-L116 HydrophobicContact CG2-CB 4.4Å; I36-F119 HydrophobicContact CD1-CD1 3.66Å; I36-F119 HydrophobicContact CD1-CE1 3.73Å; I36-R120 HydrophobicContact CG2-CB 4.17Å; I36-I124 HydrophobicContact CD1-CD1 4.28Å; I36-F196 HydrophobicContact CD1-CD2 3.84Å; I36-F196 HydrophobicContact CD1-CE2 4.25Å; I36-F196 HydrophobicContact CG1-CD2 3.84Å; I36-F196 HydrophobicContact CG1-CE2 3.72Å
37K95.9Very high95.2Very high105 Ų10564.3 Ų64.346%0.45732%0.317SS..Hα-helixtrans-60.5-45.4177.3-177.7-173.5163.9-95.30112.5N33 K34 F35 K41N33-K37 WeakPolarHBondContact O-CB 3.42Å; N33-K37 PolarHBondContact O-N 3.16Å; N33-K37 VanDerWaalsContact O-N 3.17Å; K34-K37 WeakPolarHBondContact O-CB 3.37Å; K34-K37 PolarHBondContact O-N 3.02Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.41Å; K37-K41 PolarHBondContact O-N 3.26Å
38E97.1Very high95.2Very high68 Ų6864 Ų6432%0.31831%0.313SS..Hα-helixtrans-74.3-36178.9-59.1-55.411900111.4K34 F35 I36 I40 K41 D42K34-E38 PolarHBondContact O-N 3.29Å; K34-E38 VanDerWaalsContact O-N 3.15Å; F35-E38 PolarHBondContact O-N 3.21Å; I36-E38 PolarHBondContact O-N 3.34Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.5Å; E38-K41 WeakPolarHBondContact O-CA 3.39Å; E38-K41 VanDerWaalsContact O-CB 3.31Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 PolarHBondContact O-N 2.81Å; E38-K41 IonicContact OE2-NZ 2.67Å; E38-K41 PolarHBondContact OE2-NZ 2.88Å; E38-D42 PolarHBondContact O-N 3.38Å
39L95.1Very high95.4Very high51 Ų5164.1 Ų64.127%0.26732%0.323SS..Hα-helixtrans-61.1-39173.7-174.765.1000112.9F35 I36 K41 D42 G43 L116 F196 L200F35-L39 HydrophobicContact CE1-CD2 4.47Å; F35-L39 WeakPolarHBondContact O-CB 3.36Å; F35-L39 PolarHBondContact O-N 3.49Å; I36-L39 PolarHBondContact O-N 3Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 2.8Å; L39-D42 PolarHBondContact O-N 2.77Å; L39-G43 PolarHBondContact O-N 2.89Å; L39-L116 HydrophobicContact CD2-CD1 4.21Å; L39-F196 HydrophobicContact CD2-CE2 3.62Å; L39-F196 HydrophobicContact CD2-CZ 3.57Å; L39-L200 HydrophobicContact CD2-CD2 4.38Å
40I96.1Very high95.5Very high12 Ų1264.8 Ų64.86%0.06233%0.327CS..Hα-helixtrans-63.1-39.3172.8-70.4160.6000111.1I36 E38 K44 I113 L116 E117I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 HydrophobicContact CG2-CG1 4.34Å; I36-I40 WeakPolarHBondContact O-CD1 3.35Å; I36-I40 VanDerWaalsContact O-CG1 3.22Å; I36-I40 WeakPolarHBondContact O-CG1 3.34Å; I36-I40 PolarHBondContact O-N 3.46Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.5Å; I40-K44 HydrophobicContact CG2-CD 4.29Å; I40-K44 WeakPolarHBondContact O-CB 3.17Å; I40-K44 VanDerWaalsContact O-CG 3.29Å; I40-K44 WeakPolarHBondContact O-CG 2.89Å; I40-K44 PolarHBondContact O-N 3.1Å; I40-I113 HydrophobicContact CG2-CG2 4.38Å; I40-L116 HydrophobicContact CD1-CB 3.9Å; I40-L116 HydrophobicContact CG1-CB 3.68Å; I40-L116 HydrophobicContact CG1-CD1 4.33Å; I40-E117 HydrophobicContact CD1-CG 3.92Å; I40-E117 HydrophobicContact CG2-CG 4.11Å
41K97.6Very high95.6Very high115 Ų11566.4 Ų66.450%0.533%0.331SS..Hα-helixtrans-65.5-46.7177.2177.2-167.3106.4-1640110.9K37 E38 L39 K44 A45K37-K41 PolarHBondContact O-N 3.26Å; E38-K41 WeakPolarHBondContact O-CA 3.39Å; E38-K41 VanDerWaalsContact O-CB 3.31Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 PolarHBondContact O-N 2.81Å; E38-K41 IonicContact OE2-NZ 2.67Å; E38-K41 PolarHBondContact OE2-NZ 2.88Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 2.8Å; K41-K44 PolarHBondContact O-N 2.78Å; K41-A45 PolarHBondContact O-N 3.08Å
42D96.8Very high95.7Very high88 Ų8864.7 Ų64.747%0.47133%0.332SS..Hα-helixtrans-71.6-36.3-178.1-63-16.6000111.2E38 L39 A45 L46E38-D42 PolarHBondContact O-N 3.38Å; L39-D42 PolarHBondContact O-N 2.77Å; D42-A45 WeakPolarHBondContact O-CB 3.41Å; D42-A45 PolarHBondContact O-N 3.18Å; D42-L46 PolarHBondContact O-N 2.9Å
43G95.5Very high95.9Very high8 Ų867.5 Ų67.58%0.08235%0.345CS..Hα-helixtrans-61.4-42.1169.900000112.9L39 A45 L46 I47L39-G43 PolarHBondContact O-N 2.89Å; G43-A45 VanDerWaalsContact C-N 3.35Å; G43-L46 PolarHBondContact O-N 2.65Å; G43-I47 VanDerWaalsContact O-CG1 3.32Å; G43-I47 WeakPolarHBondContact O-CG1 3.37Å; G43-I47 PolarHBondContact O-N 3.5Å
44K96.6Very high96Very high91 Ų9166.5 Ų66.540%0.39634%0.34SS..Hα-helixtrans-63.7-38.6172.4-75.6174.5-176.6-178.60112.2I40 K41 Q48 I113 E117I40-K44 HydrophobicContact CG2-CD 4.29Å; I40-K44 WeakPolarHBondContact O-CB 3.17Å; I40-K44 VanDerWaalsContact O-CG 3.29Å; I40-K44 WeakPolarHBondContact O-CG 2.89Å; I40-K44 PolarHBondContact O-N 3.1Å; K41-K44 PolarHBondContact O-N 2.78Å; K44-Q48 WeakPolarHBondContact O-CB 3.46Å; K44-Q48 PolarHBondContact O-N 2.67Å; K44-I113 HydrophobicContact CD-CG2 4.41Å; K44-I113 HydrophobicContact CG-CD1 4.06Å; K44-I113 HydrophobicContact CG-CG1 4.34Å; K44-I113 HydrophobicContact CG-CG2 4.26Å; K44-E117 IonicContact NZ-OE1 2.79Å; K44-E117 PolarHBondContact NZ-OE1 3.25Å
45A97.4Very high96Very high60 Ų6064.5 Ų64.550%0.49634%0.34SS..Hα-helixtrans-65-41.5174.900000112.1K41 D42 G43 Q48 A49K41-A45 PolarHBondContact O-N 3.08Å; D42-A45 WeakPolarHBondContact O-CB 3.41Å; D42-A45 PolarHBondContact O-N 3.18Å; G43-A45 VanDerWaalsContact C-N 3.35Å; A45-Q48 PolarHBondContact O-N 3.26Å; A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 2.73Å
46L95.6Very high96.2Very high78 Ų7861.4 Ų61.441%0.40834%0.338SS..Hα-helixtrans-61.7-48.7174.2175.960000111.8D42 G43 Q48 A49 L50 F203D42-L46 PolarHBondContact O-N 2.9Å; G43-L46 PolarHBondContact O-N 2.65Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 2.74Å; L46-A49 PolarHBondContact O-N 2.67Å; L46-L50 HydrophobicContact CD1-CD1 4.14Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 4.09Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.16Å; L46-F203 HydrophobicContact CD2-CE1 3.99Å; L46-F203 HydrophobicContact CD2-CZ 3.8Å
47I94.9Very high96.4Very high12 Ų1263.9 Ų63.96%0.06235%0.349CS..Hα-helixtrans-57.7-41.8176-71.2167.8000110.7G43 L50 K51 I105 A108 I113G43-I47 VanDerWaalsContact O-CG1 3.32Å; G43-I47 WeakPolarHBondContact O-CG1 3.37Å; G43-I47 PolarHBondContact O-N 3.5Å; I47-L50 PolarHBondContact O-N 3.5Å; I47-K51 HydrophobicContact CG2-CD 4.48Å; I47-K51 WeakPolarHBondContact O-CG 3.42Å; I47-K51 PolarHBondContact O-N 2.95Å; I47-I105 HydrophobicContact CG2-CG2 4.37Å; I47-A108 HydrophobicContact CD1-CB 3.97Å; I47-A108 HydrophobicContact CG1-CB 4.12Å; I47-I113 HydrophobicContact CD1-CD1 4.12Å; I47-I113 HydrophobicContact CD1-CG1 3.65Å
48Q96.3Very high96.4Very high102 Ų10262 Ų6248%0.47734%0.339SS..Hα-helixtrans-68.6-38.9177.3-173.456.339.500112.8K44 A45 L46 K51 C52K44-Q48 WeakPolarHBondContact O-CB 3.46Å; K44-Q48 PolarHBondContact O-N 2.67Å; A45-Q48 PolarHBondContact O-N 3.26Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 2.74Å; Q48-K51 WeakPolarHBondContact O-CB 3.5Å; Q48-K51 PolarHBondContact O-N 2.62Å; Q48-C52 PolarHBondContact NE2-SG 3.33Å; Q48-C52 PolarHBondContact O-N 3.43Å; Q48-C52 PolarHBondContact O-SG 3.43Å
49A97Very high96.4Very high59 Ų5966 Ų6649%0.48836%0.355SS..Hα-helixtrans-63.5-41.5175.400000111.9A45 L46 C52 L53A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 2.73Å; L46-A49 PolarHBondContact O-N 2.67Å; A49-C52 PolarHBondContact O-N 2.83Å; A49-L53 PolarHBondContact O-N 3.05Å
50L95Very high96.5Very high29 Ų2969.1 Ų69.115%0.15237%0.367CS..Hα-helixtrans-62.8-40.4174.7-70.3167.8000111.9L46 I47 L53 S54 M104 I105L46-L50 HydrophobicContact CD1-CD1 4.14Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 4.09Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.16Å; I47-L50 PolarHBondContact O-N 3.5Å; L50-L53 PolarHBondContact O-N 2.96Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.97Å; L50-M104 HydrophobicContact CD1-CE 3.93Å; L50-I105 HydrophobicContact CB-CD1 3.75Å; L50-I105 HydrophobicContact CB-CG1 3.84Å
51K95.8Very high96.6Very high90 Ų9068.5 Ų68.539%0.39136%0.364SS..Hα-helixtrans-59.3-51.8172.2-75.6177.1-179.6-173.20111.5I47 Q48 L53 S54 T55 I105I47-K51 HydrophobicContact CG2-CD 4.48Å; I47-K51 WeakPolarHBondContact O-CG 3.42Å; I47-K51 PolarHBondContact O-N 2.95Å; Q48-K51 WeakPolarHBondContact O-CB 3.5Å; Q48-K51 PolarHBondContact O-N 2.62Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 3.02Å; K51-S54 PolarHBondContact O-N 2.97Å; K51-S54 VanDerWaalsContact O-N 3.12Å; K51-T55 PolarHBondContact O-N 3.49Å; K51-T55 PolarHBondContact O-OG1 3.41Å; K51-T55 VanDerWaalsContact O-OG1 3.14Å; K51-I105 HydrophobicContact CD-CG2 4.03Å; K51-I105 HydrophobicContact CG-CD1 4.16Å; K51-I105 HydrophobicContact CG-CG2 3.54Å
52C96.8Very high96.5Very high70 Ų7066.2 Ų66.247%0.47336%0.357SS..Hα-helixtrans-57.8-42.7178.8-67.40000112.7Q48 A49 S54 T55 A56Q48-C52 PolarHBondContact NE2-SG 3.33Å; Q48-C52 PolarHBondContact O-N 3.43Å; Q48-C52 PolarHBondContact O-SG 3.43Å; A49-C52 PolarHBondContact O-N 2.83Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 PolarHBondContact O-N 3.03Å; C52-T55 PolarHBondContact O-N 3.21Å; C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.05Å
53L96.3Very high96.5Very high85 Ų8565.3 Ų65.345%0.44536%0.357SS..Hα-helixtrans-64.3-38.6176.9-177.361.7000112.1A49 L50 K51 A56 K57A49-L53 PolarHBondContact O-N 3.05Å; L50-L53 PolarHBondContact O-N 2.96Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 3.02Å; L53-A56 PolarHBondContact O-N 3.4Å; L53-K57 PolarHBondContact O-N 2.95Å
54S96.3Very high96.5Very high3 Ų366.1 Ų66.12%0.02136%0.36CS..Hα-helixtrans-67.8-44177.6-1610000112.4L50 K51 C52 A56 K57 R58 E98L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.97Å; K51-S54 PolarHBondContact O-N 2.97Å; K51-S54 VanDerWaalsContact O-N 3.12Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 PolarHBondContact O-N 3.03Å; S54-A56 VanDerWaalsContact C-N 3.34Å; S54-A56 PolarHBondContact O-N 3.4Å; S54-K57 PolarHBondContact O-N 2.98Å; S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 PolarHBondContact OG-NH1 3.03Å; S54-R58 VanDerWaalsContact OG-NH1 3.07Å; S54-E98 WeakPolarHBondContact CA-OE2 3.35Å; S54-E98 WeakPolarHBondContact CB-OE2 3.48Å; S54-E98 PolarHBondContact OG-OE2 2.87Å
55T96.4Very high96.3Very high98 Ų9865.1 Ų65.160%0.60136%0.359SS*.Hα-helixtrans-59.8-43.1173.5-52.90000112K51 C52 K59K51-T55 PolarHBondContact O-N 3.49Å; K51-T55 PolarHBondContact O-OG1 3.41Å; K51-T55 VanDerWaalsContact O-OG1 3.14Å; C52-T55 PolarHBondContact O-N 3.21Å; T55-K59 PolarHBondContact O-N 2.79Å
56A97.7Very high96Very high65 Ų6568.5 Ų68.554%0.53737%0.369SS..Hα-helixtrans-64.1-42.4179.100000112.4C52 L53 S54 F60C52-A56 WeakPolarHBondContact O-CB 3.46Å; C52-A56 PolarHBondContact O-N 3.05Å; L53-A56 PolarHBondContact O-N 3.4Å; S54-A56 VanDerWaalsContact C-N 3.34Å; S54-A56 PolarHBondContact O-N 3.4Å; A56-F60 PolarHBondContact O-N 3.15Å
57K97.4Very high95.7Very high52 Ų5269.6 Ų69.623%0.22637%0.37CS..Hα-helixtrans-69.8-42.5177.7-87.3179.5155.1-150.30113.8L53 S54 K59 F60 A61 E98L53-K57 PolarHBondContact O-N 2.95Å; S54-K57 PolarHBondContact O-N 2.98Å; K57-K59 PolarHBondContact O-N 3Å; K57-F60 WeakPolarHBondContact O-CB 3.45Å; K57-F60 PolarHBondContact O-N 2.96Å; K57-F60 VanDerWaalsContact O-N 3.14Å; K57-A61 PolarHBondContact O-N 3.5Å; K57-E98 HydrophobicContact CB-CG 3.87Å; K57-E98 VanDerWaalsContact CD-CD 3.41Å; K57-E98 HydrophobicContact CD-CG 3.76Å; K57-E98 WeakPolarHBondContact CD-OE1 3.38Å; K57-E98 WeakPolarHBondContact CE-OE1 3.36Å; K57-E98 IonicContact NZ-OE1 3.52Å; K57-E98 PolarHBondContact NZ-OE1 3.4Å
58R97.4Very high95.2Very high67 Ų6776.7 Ų76.725%0.25340%0.401SS..Hα-helixtrans-57.7-50.2175.7-77.9-167.9177.6104.3-19110.4S54 F60 A61 D62 E98 D99 T102S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 PolarHBondContact OG-NH1 3.03Å; S54-R58 VanDerWaalsContact OG-NH1 3.07Å; R58-F60 PolarHBondContact O-N 2.97Å; R58-F60 VanDerWaalsContact O-N 3.13Å; R58-A61 CarbonylContact O-C 3.54Å; R58-A61 WeakPolarHBondContact O-CA 3.49Å; R58-A61 WeakPolarHBondContact O-CB 3.5Å; R58-A61 PolarHBondContact O-N 3.26Å; R58-D62 PolarHBondContact O-N 2.97Å; R58-D62 VanDerWaalsContact O-OD2 3.09Å; R58-E98 HydrophobicContact CG-CB 4.22Å; R58-E98 PolarHBondContact NH2-O 3.34Å; R58-D99 IonicContact CZ-OD1 2.78Å; R58-D99 IonicContact NE-OD1 2.7Å; R58-D99 PolarHBondContact NE-OD1 3.08Å; R58-D99 IonicContact NH2-OD1 2.73Å; R58-D99 PolarHBondContact NH2-OD1 3.31Å; R58-T102 VanDerWaalsContact CZ-OG1 3.3Å; R58-T102 PolarHBondContact NH1-OG1 3.42Å; R58-T102 PolarHBondContact NH2-OG1 2.77Å
59K97Very high94.6Very high150 Ų15076.1 Ų76.165%0.65240%0.397SS*.Hα-helixtrans-55.6-34.9175.7-174.5175.3179.7-179.90113.6T55 K57 D62 S63T55-K59 PolarHBondContact O-N 2.79Å; K57-K59 PolarHBondContact O-N 3Å; K59-D62 WeakPolarHBondContact CA-OD2 3.5Å; K59-S63 PolarHBondContact O-N 2.75Å; K59-S63 VanDerWaalsContact O-N 3.16Å; K59-S63 PolarHBondContact O-OG 3.08Å
60F97.6Very high93.7Very high117 Ų11782.2 Ų82.251%0.51342%0.415SS..Hα-helixtrans-69.4-44.6173.9178.1-115.8000112A56 K57 R58 D62 S63 L64 L94A56-F60 PolarHBondContact O-N 3.15Å; K57-F60 WeakPolarHBondContact O-CB 3.45Å; K57-F60 PolarHBondContact O-N 2.96Å; K57-F60 VanDerWaalsContact O-N 3.14Å; R58-F60 PolarHBondContact O-N 2.97Å; R58-F60 VanDerWaalsContact O-N 3.13Å; F60-D62 PolarHBondContact O-N 3.47Å; F60-S63 WeakPolarHBondContact O-CB 3.33Å; F60-S63 PolarHBondContact O-N 3.1Å; F60-L64 HydrophobicContact CD1-CD1 4.29Å; F60-L64 HydrophobicContact CE1-CD1 3.8Å; F60-L64 HydrophobicContact CE1-CG 4.4Å; F60-L64 HydrophobicContact CE2-CD2 4.3Å; F60-L64 HydrophobicContact CE2-CG 4.41Å; F60-L64 HydrophobicContact CZ-CD1 4Å; F60-L64 HydrophobicContact CZ-CD2 4.12Å; F60-L64 HydrophobicContact CZ-CG 4.21Å; F60-L64 WeakPolarHBondContact O-CG 3.49Å; F60-L64 PolarHBondContact O-N 3.19Å; F60-L64 VanDerWaalsContact O-N 3.1Å; F60-L94 HydrophobicContact CD1-CD1 3.81Å; F60-L94 HydrophobicContact CE1-CD1 4Å
61A97.4Very high92.5Very high0 Ų083.4 Ų83.40%043%0.425CS..Hα-helixtrans-59.3-44173.600000112.2K57 R58 S63 L64 N65 A91 L94 Q95K57-A61 PolarHBondContact O-N 3.5Å; R58-A61 CarbonylContact O-C 3.54Å; R58-A61 WeakPolarHBondContact O-CA 3.49Å; R58-A61 WeakPolarHBondContact O-CB 3.5Å; R58-A61 PolarHBondContact O-N 3.26Å; A61-S63 VanDerWaalsContact C-N 3.26Å; A61-S63 PolarHBondContact O-N 2.87Å; A61-L64 WeakPolarHBondContact O-CB 3.33Å; A61-L64 PolarHBondContact O-N 3.08Å; A61-N65 PolarHBondContact O-N 3.38Å; A61-A91 HydrophobicContact CB-CB 4.09Å; A61-A91 WeakPolarHBondContact O-CB 3.29Å; A61-L94 HydrophobicContact CB-CB 3.82Å; A61-L94 HydrophobicContact CB-CD1 4.31Å; A61-Q95 HydrophobicContact CB-CG 3.87Å
62D96.1Very high91.1Very high67 Ų6785.2 Ų85.236%0.35844%0.438SS..Hα-helixtrans-58.6-41.6176.3-50.6-29.8000110.7R58 K59 F60 L64 N65 D66 Q95R58-D62 PolarHBondContact O-N 2.97Å; R58-D62 VanDerWaalsContact O-OD2 3.09Å; K59-D62 WeakPolarHBondContact CA-OD2 3.5Å; F60-D62 PolarHBondContact O-N 3.47Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 2.97Å; D62-N65 PolarHBondContact O-N 3.46Å; D62-D66 PolarHBondContact O-N 2.78Å; D62-Q95 PolarHBondContact OD1-NE2 3.42Å
63S96.4Very high89.9Confident68 Ų6884.3 Ų84.348%0.47644%0.44SS..Hα-helixtrans-66.7-25.2176.3-530000113.9K59 F60 A61K59-S63 PolarHBondContact O-N 2.75Å; K59-S63 VanDerWaalsContact O-N 3.16Å; K59-S63 PolarHBondContact O-OG 3.08Å; F60-S63 WeakPolarHBondContact O-CB 3.33Å; F60-S63 PolarHBondContact O-N 3.1Å; A61-S63 VanDerWaalsContact C-N 3.26Å; A61-S63 PolarHBondContact O-N 2.87Å
64L94.9Very high88.9Confident26 Ų2686.3 Ų86.314%0.13645%0.451CS..Hα-helixtrans-79.7-36.3172.9-66.5176.5000111.6F60 A61 D62 F67 L87 F90 A91 L94F60-L64 HydrophobicContact CD1-CD1 4.29Å; F60-L64 HydrophobicContact CE1-CD1 3.8Å; F60-L64 HydrophobicContact CE1-CG 4.4Å; F60-L64 HydrophobicContact CE2-CD2 4.3Å; F60-L64 HydrophobicContact CE2-CG 4.41Å; F60-L64 HydrophobicContact CZ-CD1 4Å; F60-L64 HydrophobicContact CZ-CD2 4.12Å; F60-L64 HydrophobicContact CZ-CG 4.21Å; F60-L64 WeakPolarHBondContact O-CG 3.49Å; F60-L64 PolarHBondContact O-N 3.19Å; F60-L64 VanDerWaalsContact O-N 3.1Å; A61-L64 WeakPolarHBondContact O-CB 3.33Å; A61-L64 PolarHBondContact O-N 3.08Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 2.97Å; L64-F67 PolarHBondContact O-N 3.11Å; L64-L87 HydrophobicContact CB-CB 4.22Å; L64-L87 WeakPolarHBondContact CB-O 3.27Å; L64-L87 HydrophobicContact CD2-CD2 4.39Å; L64-L87 WeakPolarHBondContact O-CB 3.48Å; L64-F90 HydrophobicContact CD1-CB 4.11Å; L64-A91 HydrophobicContact CB-CB 4.19Å; L64-L94 HydrophobicContact CD1-CD1 4.06Å
65N92.8Very high88.3Confident69 Ų6987.3 Ų87.337%0.36946%0.46SS..Hα-helixtrans-70-39-179.9-165.326.5000112.4A61 D62 F67 A91A61-N65 PolarHBondContact O-N 3.38Å; D62-N65 PolarHBondContact O-N 3.46Å; N65-F67 VanDerWaalsContact C-N 3.28Å; N65-F67 PolarHBondContact O-N 2.99Å; N65-A91 HydrophobicContact CB-CB 3.97Å
66D90.9Very high87.8Confident132 Ų13286.3 Ų86.371%0.70645%0.449SS*.SBendtrans-69.4-22.2176.1-80.7-18.2000113.4D62D62-D66 PolarHBondContact O-N 2.78Å
67F88.8Confident87.3Confident101 Ų10183.4 Ų83.444%0.44342%0.424SS..  trans-70.9137.2-177.9-170.1-84.7000111.6L64 N65 F69 L87L64-F67 PolarHBondContact O-N 3.11Å; N65-F67 VanDerWaalsContact C-N 3.28Å; N65-F67 PolarHBondContact O-N 2.99Å; F67-F69 HydrophobicContact CD1-CD2 4.02Å; F67-F69 AromaticContact CD1-CE2 3.93Å; F67-F69 HydrophobicContact CD1-CE2 3.93Å; F67-F69 HydrophobicContact CD1-CZ 4.41Å; F67-F69 HydrophobicContact CE1-CD1 4.02Å; F67-F69 AromaticContact CE1-CD2 3.74Å; F67-F69 HydrophobicContact CE1-CD2 3.74Å; F67-F69 HydrophobicContact CE1-CE1 4.01Å; F67-F69 AromaticContact CE1-CE2 3.73Å; F67-F69 HydrophobicContact CE1-CE2 3.73Å; F67-F69 AromaticContact CE1-CG 3.9Å; F67-F69 HydrophobicContact CE1-CG 3.9Å; F67-F69 AromaticContact CE1-CZ 3.87Å; F67-F69 HydrophobicContact CE1-CZ 3.87Å; F67-L87 HydrophobicContact CB-CD1 3.97Å; F67-L87 HydrophobicContact CD1-CD1 3.47Å; F67-L87 VanDerWaalsContact CD1-CD1 3.47Å; F67-L87 HydrophobicContact CE1-CD1 4.22Å; F67-L87 HydrophobicContact CG-CD1 3.89Å
68K84.6Confident86.9Confident160 Ų16084.2 Ų84.270%0.69643%0.431SS*.  trans-136.1129.4175-61.5-176.5-176-179.30109.7
69F83.5Confident86.5Confident91 Ų9182 Ų8240%0.39942%0.424SS..  trans-69150.5170.8-66.7-97.7000109.8F67 A84 L87F67-F69 HydrophobicContact CD1-CD2 4.02Å; F67-F69 AromaticContact CD1-CE2 3.93Å; F67-F69 HydrophobicContact CD1-CE2 3.93Å; F67-F69 HydrophobicContact CD1-CZ 4.41Å; F67-F69 HydrophobicContact CE1-CD1 4.02Å; F67-F69 AromaticContact CE1-CD2 3.74Å; F67-F69 HydrophobicContact CE1-CD2 3.74Å; F67-F69 HydrophobicContact CE1-CE1 4.01Å; F67-F69 AromaticContact CE1-CE2 3.73Å; F67-F69 HydrophobicContact CE1-CE2 3.73Å; F67-F69 AromaticContact CE1-CG 3.9Å; F67-F69 HydrophobicContact CE1-CG 3.9Å; F67-F69 AromaticContact CE1-CZ 3.87Å; F67-F69 HydrophobicContact CE1-CZ 3.87Å; F69-A84 HydrophobicContact CB-CB 4.31Å; F69-A84 HydrophobicContact CD2-CB 3.93Å; F69-A84 HydrophobicContact CG-CB 4.4Å; F69-L87 HydrophobicContact CE2-CD1 3.78Å; F69-L87 HydrophobicContact CE2-CG 4.14Å; F69-L87 HydrophobicContact CZ-CD1 4.14Å
70Q77.6Confident86Confident187 Ų18776.7 Ų76.787%0.87440%0.402SS*.  trans-114.3109.7168.7-67.2-177.1-0.300107.1
71C70.4Confident85.6Confident53 Ų5373.3 Ų73.336%0.35839%0.388SS..  trans-81.9156-179.4-81.90000112.6E76C71-E76 HydrophobicContact CB-CG 3.76Å; C71-E76 WeakPolarHBondContact CB-OE1 3.21Å; C71-E76 PolarHBondContact SG-OE1 3.26Å
72I67.4Low85.2Confident129 Ų12974.8 Ų74.866%0.66240%0.398SS*.SBendtrans-105.5116.1-179.7-58175.9000108.1M547I72-M547 HydrophobicContact CG2-CE 3.48Å; I72-M547 VanDerWaalsContact CG2-CE 3.48Å; I72-M547 HydrophobicContact CG2-SD 4.15Å
73G70Confident84.9Confident51 Ų5173.2 Ų73.253%0.52639%0.389SS..SBendtrans137.8-174.4-175.100000111.3
74D76.6Confident84.5Confident126 Ų12670.8 Ų70.867%0.67437%0.374SS*.SBendtrans-92.8-13.7172.362.1-29.4000113K477D74-K477 WeakPolarHBondContact OD1-CE 3.37Å; D74-K477 IonicContact OD1-NZ 2.62Å; D74-K477 PolarHBondContact OD1-NZ 2.98Å; D74-K477 IonicContact OD2-NZ 3.6Å; D74-K477 PolarHBondContact OD2-NZ 3.19Å
75A83.5Confident84.3Confident24 Ų2475 Ų7520%0.19839%0.391CS..  trans-149.8157.2178.800000112.8K477 K550 F551A75-K477 HydrophobicContact CB-CB 4.15Å; A75-K477 HydrophobicContact CB-CD 3.92Å; A75-K477 HydrophobicContact CB-CG 3.82Å; A75-K550 PolarHBondContact O-NZ 3.38Å; A75-K550 VanDerWaalsContact O-NZ 3.11Å; A75-F551 HydrophobicContact CB-CE1 4.34Å; A75-F551 HydrophobicContact CB-CE2 4.34Å; A75-F551 HydrophobicContact CB-CZ 3.68Å
76E85.8Confident84.4Confident78 Ų7872 Ų7236%0.36438%0.376SS..  trans-100.2157.6171.8-57.6-176.6124.700110.2C71 E80 I81C71-E76 HydrophobicContact CB-CG 3.76Å; C71-E76 WeakPolarHBondContact CB-OE1 3.21Å; C71-E76 PolarHBondContact SG-OE1 3.26Å; E76-E80 HydrophobicContact CB-CB 4.45Å; E76-I81 HydrophobicContact CB-CD1 4.08Å; E76-I81 HydrophobicContact CB-CG1 3.67Å
77T87.6Confident84.6Confident3 Ų367.1 Ų67.12%0.01835%0.349CS..  trans-100.3158.4171.859.30000110.6D79 E80 I81 K550 F551 I554T77-D79 PolarHBondContact O-N 2.9Å; T77-D79 VanDerWaalsContact O-N 3.16Å; T77-E80 WeakPolarHBondContact CB-OE2 3.31Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.38Å; T77-E80 PolarHBondContact N-OE2 2.99Å; T77-E80 WeakPolarHBondContact O-CA 3.43Å; T77-E80 WeakPolarHBondContact O-CB 3.49Å; T77-E80 PolarHBondContact O-N 3.33Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.38Å; T77-E80 PolarHBondContact OG1-OE2 3.18Å; T77-I81 WeakPolarHBondContact O-CG1 3.42Å; T77-I81 PolarHBondContact O-N 2.67Å; T77-K550 HydrophobicContact CG2-CB 4.45Å; T77-K550 HydrophobicContact CG2-CD 3.8Å; T77-K550 HydrophobicContact CG2-CG 3.87Å; T77-F551 HydrophobicContact CG2-CD1 4.12Å; T77-F551 HydrophobicContact CG2-CE1 3.59Å; T77-F551 HydrophobicContact CG2-CZ 3.97Å; T77-I554 HydrophobicContact CG2-CD1 3.37Å
78D87.9Confident84.9Confident70 Ų7065.3 Ų65.337%0.37434%0.342SS..Hα-helixtrans-52.9-39.4-178.8-6123.2000112.7I81 C82 R484D78-I81 PolarHBondContact O-N 3.47Å; D78-C82 VanDerWaalsContact O-CB 3.25Å; D78-C82 WeakPolarHBondContact O-CB 3.34Å; D78-C82 PolarHBondContact O-N 3.21Å; D78-R484 IonicContact OD1-CZ 3.39Å; D78-R484 IonicContact OD1-NH1 2.7Å; D78-R484 PolarHBondContact OD1-NH1 2.82Å; D78-R484 IonicContact OD1-NH2 2.63Å; D78-R484 IonicContact OD2-CZ 2.75Å; D78-R484 IonicContact OD2-NH1 3.19Å; D78-R484 PolarHBondContact OD2-NH1 2.91Å; D78-R484 IonicContact OD2-NH2 3.53Å; D78-R484 PolarHBondContact OD2-NH2 3.46Å
79D88.8Confident85.4Confident19 Ų1962 Ų6210%0.10233%0.329CS..Hα-helixtrans-66-42.9175-65.9-60.9000112.3T77 C82 I83 S231 T235 R238T77-D79 PolarHBondContact O-N 2.9Å; T77-D79 VanDerWaalsContact O-N 3.16Å; D79-C82 PolarHBondContact O-N 3.44Å; D79-I83 WeakPolarHBondContact O-CB 3.4Å; D79-I83 WeakPolarHBondContact O-CD1 3.48Å; D79-I83 WeakPolarHBondContact O-CG1 3.42Å; D79-I83 PolarHBondContact O-N 2.96Å; D79-S231 WeakPolarHBondContact OD1-CA 3.42Å; D79-S231 WeakPolarHBondContact OD1-CB 3.36Å; D79-S231 PolarHBondContact OD1-OG 3.32Å; D79-T235 WeakPolarHBondContact CB-OG1 3.17Å; D79-R238 IonicContact OD2-CZ 3.61Å; D79-R238 IonicContact OD2-NH1 3.46Å; D79-R238 PolarHBondContact OD2-NH1 3.47Å; D79-R238 IonicContact OD2-NH2 3.41Å; D79-R238 PolarHBondContact OD2-NH2 2.91Å
80E87.8Confident86Confident40 Ų4061 Ų6119%0.18733%0.325CS..Hα-helixtrans-63.9-40.1175.2-71.9163.1136.100111.1E76 T77 I83 A84 K550E76-E80 HydrophobicContact CB-CB 4.45Å; T77-E80 WeakPolarHBondContact CB-OE2 3.31Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.38Å; T77-E80 PolarHBondContact N-OE2 2.99Å; T77-E80 WeakPolarHBondContact O-CA 3.43Å; T77-E80 WeakPolarHBondContact O-CB 3.49Å; T77-E80 PolarHBondContact O-N 3.33Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.38Å; T77-E80 PolarHBondContact OG1-OE2 3.18Å; E80-I83 PolarHBondContact O-N 3.07Å; E80-A84 WeakPolarHBondContact O-CB 3.45Å; E80-A84 PolarHBondContact O-N 2.88Å; E80-K550 IonicContact OE1-NZ 3.69Å; E80-K550 PolarHBondContact OE1-NZ 3.17Å; E80-K550 IonicContact OE2-NZ 2.74Å; E80-K550 PolarHBondContact OE2-NZ 3.41Å
81I88.7Confident86.8Confident45 Ų4552 Ų5223%0.23128%0.283CS..Hα-helixtrans-67.1-41.2176.6-64.7167.5000111E76 T77 D78 A84 K85E76-I81 HydrophobicContact CB-CD1 4.08Å; E76-I81 HydrophobicContact CB-CG1 3.67Å; T77-I81 WeakPolarHBondContact O-CG1 3.42Å; T77-I81 PolarHBondContact O-N 2.67Å; D78-I81 PolarHBondContact O-N 3.47Å; I81-A84 PolarHBondContact O-N 2.87Å; I81-K85 HydrophobicContact CG2-CD 4.06Å; I81-K85 WeakPolarHBondContact O-CB 3.38Å; I81-K85 WeakPolarHBondContact O-CG 3.41Å; I81-K85 PolarHBondContact O-N 3.32Å
82C90.1Very high88Confident32 Ų3251.1 Ų51.122%0.21628%0.279CS..Hα-helixtrans-61.5-49.2174.7-179.40000111.1D78 D79 A84 K85 S86D78-C82 VanDerWaalsContact O-CB 3.25Å; D78-C82 WeakPolarHBondContact O-CB 3.34Å; D78-C82 PolarHBondContact O-N 3.21Å; D79-C82 PolarHBondContact O-N 3.44Å; C82-A84 VanDerWaalsContact C-N 3.33Å; C82-A84 PolarHBondContact O-N 3.44Å; C82-K85 PolarHBondContact O-N 3.49Å; C82-S86 PolarHBondContact O-N 3.24Å
83I89.9Confident89.4Confident33 Ų3346.7 Ų46.717%0.16926%0.258CS..Hα-helixtrans-61.7-41.8175.8-67.7163.8000110.8D79 E80 K85 S86 L228 I232 T235D79-I83 WeakPolarHBondContact O-CB 3.4Å; D79-I83 WeakPolarHBondContact O-CD1 3.48Å; D79-I83 WeakPolarHBondContact O-CG1 3.42Å; D79-I83 PolarHBondContact O-N 2.96Å; E80-I83 PolarHBondContact O-N 3.07Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 2.95Å; I83-S86 WeakPolarHBondContact O-CB 3.24Å; I83-S86 PolarHBondContact O-N 3.16Å; I83-S86 PolarHBondContact O-OG 3.33Å; I83-L228 HydrophobicContact CG1-CD1 3.89Å; I83-I232 HydrophobicContact CD1-CG1 3.93Å; I83-I232 HydrophobicContact CG1-CG1 3.87Å; I83-T235 HydrophobicContact CD1-CG2 4.24Å; I83-T235 WeakPolarHBondContact CD1-OG1 3.16Å
84A88Confident90.6Very high18 Ų1846 Ų4615%0.14924%0.242CC..Hα-helixtrans-64.2-37.1179.700000112.9F69 E80 I81 C82F69-A84 HydrophobicContact CB-CB 4.31Å; F69-A84 HydrophobicContact CD2-CB 3.93Å; F69-A84 HydrophobicContact CG-CB 4.4Å; E80-A84 WeakPolarHBondContact O-CB 3.45Å; E80-A84 PolarHBondContact O-N 2.88Å; I81-A84 PolarHBondContact O-N 2.87Å; C82-A84 VanDerWaalsContact C-N 3.33Å; C82-A84 PolarHBondContact O-N 3.44Å
85K90.4Very high91.6Very high113 Ų11342.7 Ų42.749%0.49122%0.223SC..Hα-helixtrans-78.8-18.9175.2-69.6170.5-177.5170.50113.7I81 C82 I83 L87 Q88 E89I81-K85 HydrophobicContact CG2-CD 4.06Å; I81-K85 WeakPolarHBondContact O-CB 3.38Å; I81-K85 WeakPolarHBondContact O-CG 3.41Å; I81-K85 PolarHBondContact O-N 3.32Å; C82-K85 PolarHBondContact O-N 3.49Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 2.95Å; K85-L87 PolarHBondContact O-N 3.38Å; K85-Q88 WeakPolarHBondContact O-CA 3.35Å; K85-Q88 VanDerWaalsContact O-CB 3.31Å; K85-Q88 WeakPolarHBondContact O-CB 3.2Å; K85-Q88 PolarHBondContact O-N 3.33Å; K85-E89 PolarHBondContact O-N 3.47Å
86S95Very high92.2Very high7 Ų745.8 Ų45.85%0.04924%0.236CC..Hα-helixtrans-55.9-32-173.568.20000114.9C82 I83 Q88 E89 F90C82-S86 PolarHBondContact O-N 3.24Å; I83-S86 WeakPolarHBondContact O-CB 3.24Å; I83-S86 PolarHBondContact O-N 3.16Å; I83-S86 PolarHBondContact O-OG 3.33Å; S86-Q88 VanDerWaalsContact C-N 3.29Å; S86-Q88 PolarHBondContact O-N 2.95Å; S86-E89 PolarHBondContact O-N 2.95Å; S86-F90 WeakPolarHBondContact O-CD1 3.49Å; S86-F90 WeakPolarHBondContact O-CD2 3.44Å; S86-F90 WeakPolarHBondContact O-CG 3.45Å; S86-F90 PolarHBondContact O-N 2.99Å
87L94.4Very high92.7Very high30 Ų3043.6 Ų43.616%0.15723%0.227CC..Hα-helixtrans-67.8-29.5176.3-54.4-173.5000112.7L64 F67 F69 K85 F90 A91L64-L87 HydrophobicContact CB-CB 4.22Å; L64-L87 WeakPolarHBondContact CB-O 3.27Å; L64-L87 HydrophobicContact CD2-CD2 4.39Å; L64-L87 WeakPolarHBondContact O-CB 3.48Å; F67-L87 HydrophobicContact CB-CD1 3.97Å; F67-L87 HydrophobicContact CD1-CD1 3.47Å; F67-L87 VanDerWaalsContact CD1-CD1 3.47Å; F67-L87 HydrophobicContact CE1-CD1 4.22Å; F67-L87 HydrophobicContact CG-CD1 3.89Å; F69-L87 HydrophobicContact CE2-CD1 3.78Å; F69-L87 HydrophobicContact CE2-CG 4.14Å; F69-L87 HydrophobicContact CZ-CD1 4.14Å; K85-L87 PolarHBondContact O-N 3.38Å; L87-F90 HydrophobicContact CD2-CD2 3.88Å; L87-F90 HydrophobicContact CD2-CE2 4Å; L87-A91 WeakPolarHBondContact O-CB 3.35Å; L87-A91 PolarHBondContact O-N 2.94Å
88Q94.4Very high93Very high62 Ų6243.5 Ų43.529%0.2923%0.226SC..Hα-helixtrans-75.6-38.3177.5-61.9158.6-8.400110.2K85 S86 A91 A92K85-Q88 WeakPolarHBondContact O-CA 3.35Å; K85-Q88 VanDerWaalsContact O-CB 3.31Å; K85-Q88 WeakPolarHBondContact O-CB 3.2Å; K85-Q88 PolarHBondContact O-N 3.33Å; S86-Q88 VanDerWaalsContact C-N 3.29Å; S86-Q88 PolarHBondContact O-N 2.95Å; Q88-A91 WeakPolarHBondContact O-CB 3.45Å; Q88-A91 PolarHBondContact O-N 2.68Å; Q88-A92 PolarHBondContact O-N 3.31Å
89E94.9Very high93.4Very high91 Ų9143.2 Ų43.243%0.42522%0.224SC..Hα-helixtrans-64.5-42.6169.9-62.3-58.615400111.8K85 S86 A91 A92 V93 F224K85-E89 PolarHBondContact O-N 3.47Å; S86-E89 PolarHBondContact O-N 2.95Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 3.15Å; E89-A92 PolarHBondContact O-N 3.35Å; E89-V93 WeakPolarHBondContact O-CG2 3.25Å; E89-V93 PolarHBondContact O-N 3.48Å; E89-F224 HydrophobicContact CB-CD1 4.28Å; E89-F224 HydrophobicContact CB-CE1 3.73Å; E89-F224 HydrophobicContact CB-CZ 3.93Å; E89-F224 HydrophobicContact CG-CE1 4.08Å; E89-F224 HydrophobicContact CG-CE2 4.04Å; E89-F224 HydrophobicContact CG-CZ 3.77Å
90F95.9Very high93.6Very high69 Ų6944.2 Ų44.230%0.30323%0.228SC..Hα-helixtrans-61.4-38173.2-59.6-13.9000111.7L64 S86 L87 L94 F221 F224 L228L64-F90 HydrophobicContact CD1-CB 4.11Å; S86-F90 WeakPolarHBondContact O-CD1 3.49Å; S86-F90 WeakPolarHBondContact O-CD2 3.44Å; S86-F90 WeakPolarHBondContact O-CG 3.45Å; S86-F90 PolarHBondContact O-N 2.99Å; L87-F90 HydrophobicContact CD2-CD2 3.88Å; L87-F90 HydrophobicContact CD2-CE2 4Å; F90-L94 WeakPolarHBondContact O-CB 3.07Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.19Å; F90-L94 PolarHBondContact O-N 3.39Å; F90-L94 VanDerWaalsContact O-N 3.12Å; F90-F221 AromaticContact CD1-CE2 3.98Å; F90-F221 HydrophobicContact CD1-CE2 3.98Å; F90-F221 AromaticContact CD1-CZ 3.73Å; F90-F221 HydrophobicContact CD1-CZ 3.73Å; F90-F221 HydrophobicContact CE1-CE2 4.23Å; F90-F221 AromaticContact CE1-CZ 3.74Å; F90-F221 HydrophobicContact CE1-CZ 3.74Å; F90-F224 HydrophobicContact CE1-CE1 4.08Å; F90-L228 HydrophobicContact CE1-CD2 3.79Å; F90-L228 HydrophobicContact CZ-CD2 3.59Å
91A96.4Very high94Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-64.2-46.8174.900000111.7A61 L64 N65 L87 Q88 E89 V93 L94 Q95A61-A91 HydrophobicContact CB-CB 4.09Å; A61-A91 WeakPolarHBondContact O-CB 3.29Å; L64-A91 HydrophobicContact CB-CB 4.19Å; N65-A91 HydrophobicContact CB-CB 3.97Å; L87-A91 WeakPolarHBondContact O-CB 3.35Å; L87-A91 PolarHBondContact O-N 2.94Å; Q88-A91 WeakPolarHBondContact O-CB 3.45Å; Q88-A91 PolarHBondContact O-N 2.68Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 3.15Å; A91-V93 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 3.25Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 3.26Å
92A95.5Very high94.2Very high34 Ų3442.2 Ų42.228%0.28122%0.219SC..Hα-helixtrans-60-45.4178.800000112.1Q88 E89 L94 Q95 N96Q88-A92 PolarHBondContact O-N 3.31Å; E89-A92 PolarHBondContact O-N 3.35Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.17Å; A92-Q95 PolarHBondContact O-N 2.9Å; A92-N96 WeakPolarHBondContact O-CB 3.42Å; A92-N96 PolarHBondContact O-N 3.37Å; A92-N96 PolarHBondContact O-ND2 3.12Å
93V95.8Very high94.3Very high36 Ų3647.9 Ų47.922%0.21824%0.236CC..Hα-helixtrans-60.7-41.3174.9171.10000111.7E89 A91 L97 L217 F221E89-V93 WeakPolarHBondContact O-CG2 3.25Å; E89-V93 PolarHBondContact O-N 3.48Å; A91-V93 PolarHBondContact O-N 3.49Å; V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 PolarHBondContact O-N 2.95Å; V93-L217 HydrophobicContact CG1-CD2 4.17Å; V93-L217 HydrophobicContact CG1-CG 4.22Å; V93-F221 HydrophobicContact CG2-CB 4.48Å; V93-F221 HydrophobicContact CG2-CD2 3.64Å; V93-F221 HydrophobicContact CG2-CE2 4.11Å; V93-F221 HydrophobicContact CG2-CG 4.24Å
94L96.3Very high94.5Very high36 Ų3647.1 Ų47.119%0.18823%0.232CC..Hα-helixtrans-68.8-38177-75.1170.8000112.9F60 A61 L64 F90 A91 A92 E98F60-L94 HydrophobicContact CD1-CD1 3.81Å; F60-L94 HydrophobicContact CE1-CD1 4Å; A61-L94 HydrophobicContact CB-CB 3.82Å; A61-L94 HydrophobicContact CB-CD1 4.31Å; L64-L94 HydrophobicContact CD1-CD1 4.06Å; F90-L94 WeakPolarHBondContact O-CB 3.07Å; F90-L94 VanDerWaalsContact O-CG 3.3Å; F90-L94 WeakPolarHBondContact O-CG 3.19Å; F90-L94 PolarHBondContact O-N 3.39Å; F90-L94 VanDerWaalsContact O-N 3.12Å; A91-L94 PolarHBondContact O-N 3.25Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.17Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 WeakPolarHBondContact O-CG 3.26Å; L94-E98 PolarHBondContact O-N 2.89Å
95Q96.4Very high94.8Very high56 Ų5646.5 Ų46.526%0.26223%0.226SC..Hα-helixtrans-67.5-50.3176.8-74.7171.7-1400110.8A61 D62 A91 A92 L97 E98 D99A61-Q95 HydrophobicContact CB-CG 3.87Å; D62-Q95 PolarHBondContact OD1-NE2 3.42Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 3.26Å; A92-Q95 PolarHBondContact O-N 2.9Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.43Å; Q95-E98 PolarHBondContact O-N 3.34Å; Q95-D99 PolarHBondContact O-N 2.87Å
96N95.8Very high94.7Very high89 Ų8947 Ų4748%0.47623%0.23SC..Hα-helixtrans-54.2-44.7177.3-71.4-17.8000112.4A92 E98 D99 E100 L217A92-N96 WeakPolarHBondContact O-CB 3.42Å; A92-N96 PolarHBondContact O-N 3.37Å; A92-N96 PolarHBondContact O-ND2 3.12Å; N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 3.18Å; N96-D99 PolarHBondContact O-N 2.88Å; N96-E100 PolarHBondContact O-N 3.4Å; N96-L217 HydrophobicContact CB-CD1 4.46Å; N96-L217 HydrophobicContact CB-CD2 4.03Å
97L95.9Very high94.5Very high33 Ų3350.9 Ų50.917%0.17325%0.25CS..Hα-helixtrans-64.7-35.3177.9-177.960.8000112.8V93 Q95 R101 Y210 L217V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 PolarHBondContact O-N 2.95Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.43Å; L97-R101 PolarHBondContact O-N 3.26Å; L97-Y210 HydrophobicContact CD1-CE2 3.82Å; L97-Y210 HydrophobicContact CG-CE2 4.39Å; L97-L217 HydrophobicContact CB-CD2 3.97Å
98E95.8Very high94.4Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-85-21.1-178.3-69.1-55.6142.800113.7S54 K57 R58 L94 Q95 N96 R101 T102S54-E98 WeakPolarHBondContact CA-OE2 3.35Å; S54-E98 WeakPolarHBondContact CB-OE2 3.48Å; S54-E98 PolarHBondContact OG-OE2 2.87Å; K57-E98 HydrophobicContact CB-CG 3.87Å; K57-E98 VanDerWaalsContact CD-CD 3.41Å; K57-E98 HydrophobicContact CD-CG 3.76Å; K57-E98 WeakPolarHBondContact CD-OE1 3.38Å; K57-E98 WeakPolarHBondContact CE-OE1 3.36Å; K57-E98 IonicContact NZ-OE1 3.52Å; K57-E98 PolarHBondContact NZ-OE1 3.4Å; R58-E98 HydrophobicContact CG-CB 4.22Å; R58-E98 PolarHBondContact NH2-O 3.34Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 WeakPolarHBondContact O-CG 3.26Å; L94-E98 PolarHBondContact O-N 2.89Å; Q95-E98 PolarHBondContact O-N 3.34Å; N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 3.18Å; E98-R101 PolarHBondContact O-N 3.29Å; E98-R101 IonicContact OE1-CZ 2.75Å; E98-R101 IonicContact OE1-NE 3.4Å; E98-R101 IonicContact OE1-NH1 2.72Å; E98-R101 PolarHBondContact OE1-NH1 3.07Å; E98-R101 IonicContact OE1-NH2 2.72Å; E98-R101 PolarHBondContact OE1-NH2 3.18Å; E98-R101 WeakPolarHBondContact OE2-CD 3.38Å; E98-R101 IonicContact OE2-CZ 2.73Å; E98-R101 IonicContact OE2-NE 3.54Å; E98-R101 IonicContact OE2-NH1 3.12Å; E98-R101 PolarHBondContact OE2-NH1 3.19Å; E98-T102 WeakPolarHBondContact O-CB 3.33Å; E98-T102 PolarHBondContact O-N 3.27Å; E98-T102 PolarHBondContact O-OG1 2.66Å
99D94.9Very high94.2Very high65 Ų6549.7 Ų49.735%0.34825%0.246SC..Hα-helixtrans-65.7-45.3166.2-76.93.2000111R58 Q95 N96 R101 T102 R103R58-D99 IonicContact CZ-OD1 2.78Å; R58-D99 IonicContact NE-OD1 2.7Å; R58-D99 PolarHBondContact NE-OD1 3.08Å; R58-D99 IonicContact NH2-OD1 2.73Å; R58-D99 PolarHBondContact NH2-OD1 3.31Å; Q95-D99 PolarHBondContact O-N 2.87Å; N96-D99 PolarHBondContact O-N 2.88Å; D99-R101 VanDerWaalsContact C-N 3.35Å; D99-R101 PolarHBondContact O-N 2.98Å; D99-T102 WeakPolarHBondContact O-CA 3.5Å; D99-T102 WeakPolarHBondContact O-CB 3.48Å; D99-T102 PolarHBondContact O-N 3.23Å; D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 PolarHBondContact O-N 3.14Å
100E94.3Very high94.1Very high39 Ų3949.8 Ų49.818%0.18225%0.25CC..Hα-helixtrans-62.6-39.2172.5-72.6-50.9134.600112.7N96 T102 R103 M104 Y210 H213N96-E100 PolarHBondContact O-N 3.4Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 3.09Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.41Å; E100-R103 VanDerWaalsContact OE1-CZ 3.25Å; E100-R103 IonicContact OE1-NE 3.51Å; E100-R103 IonicContact OE1-NH1 2.68Å; E100-R103 PolarHBondContact OE1-NH1 2.69Å; E100-M104 PolarHBondContact O-N 2.93Å; E100-M104 VanDerWaalsContact O-N 3.09Å; E100-Y210 HydrophobicContact CB-CD2 4.28Å; E100-H213 HydrophobicContact CG-CB 4.15Å
101R94.9Very high94Very high17 Ų1748.1 Ų48.16%0.06425%0.245CC..Hα-helixtrans-61.4-38.1171-170.4-177.9-71.3144.36.1111.5L97 E98 D99 M104 I105 Y210L97-R101 PolarHBondContact O-N 3.26Å; E98-R101 PolarHBondContact O-N 3.29Å; E98-R101 IonicContact OE1-CZ 2.75Å; E98-R101 IonicContact OE1-NE 3.4Å; E98-R101 IonicContact OE1-NH1 2.72Å; E98-R101 PolarHBondContact OE1-NH1 3.07Å; E98-R101 IonicContact OE1-NH2 2.72Å; E98-R101 PolarHBondContact OE1-NH2 3.18Å; E98-R101 WeakPolarHBondContact OE2-CD 3.38Å; E98-R101 IonicContact OE2-CZ 2.73Å; E98-R101 IonicContact OE2-NE 3.54Å; E98-R101 IonicContact OE2-NH1 3.12Å; E98-R101 PolarHBondContact OE2-NH1 3.19Å; D99-R101 VanDerWaalsContact C-N 3.35Å; D99-R101 PolarHBondContact O-N 2.98Å; R101-M104 HydrophobicContact CG-CE 4.09Å; R101-M104 WeakPolarHBondContact O-CB 3.48Å; R101-M104 PolarHBondContact O-N 3.37Å; R101-I105 HydrophobicContact CG-CD1 3.71Å; R101-I105 HydrophobicContact CG-CG1 4.1Å; R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 VanDerWaalsContact O-CG1 3.22Å; R101-I105 WeakPolarHBondContact O-CG1 3.3Å; R101-I105 PolarHBondContact O-N 2.63Å; R101-Y210 HydrophobicContact CB-CD2 4Å; R101-Y210 HydrophobicContact CB-CE2 3.68Å; R101-Y210 HydrophobicContact CG-CE2 4.36Å; R101-Y210 PolarHBondContact NH2-OH 2.84Å
102T94.1Very high94Very high26 Ų2648.6 Ų48.616%0.1625%0.248CC..Hα-helixtrans-66.3-45.2-178.3-58.20000110.9R58 E98 D99 E100 M104 I105 E106R58-T102 VanDerWaalsContact CZ-OG1 3.3Å; R58-T102 PolarHBondContact NH1-OG1 3.42Å; R58-T102 PolarHBondContact NH2-OG1 2.77Å; E98-T102 WeakPolarHBondContact O-CB 3.33Å; E98-T102 PolarHBondContact O-N 3.27Å; E98-T102 PolarHBondContact O-OG1 2.66Å; D99-T102 WeakPolarHBondContact O-CA 3.5Å; D99-T102 WeakPolarHBondContact O-CB 3.48Å; D99-T102 PolarHBondContact O-N 3.23Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 3.09Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 2.97Å; T102-I105 WeakPolarHBondContact O-CB 3.44Å; T102-I105 PolarHBondContact O-N 3.48Å; T102-I105 VanDerWaalsContact O-N 3.11Å; T102-E106 HydrophobicContact CG2-CG 4.4Å; T102-E106 WeakPolarHBondContact O-CG 3.45Å; T102-E106 PolarHBondContact O-N 2.64Å
103R91.8Very high94Very high151 Ų15147.1 Ų47.157%0.5724%0.235SC*.Hα-helixtrans-54.8-45.6172.1-65.5168.4-173.8-170.9-0.3111.7D99 E100 N107D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 PolarHBondContact O-N 3.14Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.41Å; E100-R103 VanDerWaalsContact OE1-CZ 3.25Å; E100-R103 IonicContact OE1-NE 3.51Å; E100-R103 IonicContact OE1-NH1 2.68Å; E100-R103 PolarHBondContact OE1-NH1 2.69Å; R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 3.13Å; R103-N107 VanDerWaalsContact O-N 3.1Å
104M93.9Very high94Very high17 Ų1748.8 Ų48.88%0.08424%0.242CC..Hα-helixtrans-63.8-43175.7-175.2-155.373.500112.6L50 E100 R101 T102 A108 L207 Y210L50-M104 HydrophobicContact CD1-CE 3.93Å; E100-M104 PolarHBondContact O-N 2.93Å; E100-M104 VanDerWaalsContact O-N 3.09Å; R101-M104 HydrophobicContact CG-CE 4.09Å; R101-M104 WeakPolarHBondContact O-CB 3.48Å; R101-M104 PolarHBondContact O-N 3.37Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 2.97Å; M104-A108 VanDerWaalsContact O-CB 3.24Å; M104-A108 WeakPolarHBondContact O-CB 3.36Å; M104-A108 PolarHBondContact O-N 2.8Å; M104-L207 HydrophobicContact CE-CD2 4.14Å; M104-L207 HydrophobicContact SD-CD2 3.71Å; M104-L207 HydrophobicContact SD-CG 4.16Å; M104-Y210 HydrophobicContact SD-CD1 4.38Å; M104-Y210 HydrophobicContact SD-CG 4.06Å
105I93.2Very high94Very high6 Ų648.6 Ų48.63%0.03124%0.243CC..Hα-helixtrans-63.1-42.2178.2-79.2167.9000112I47 L50 K51 R101 T102I47-I105 HydrophobicContact CG2-CG2 4.37Å; L50-I105 HydrophobicContact CB-CD1 3.75Å; L50-I105 HydrophobicContact CB-CG1 3.84Å; K51-I105 HydrophobicContact CD-CG2 4.03Å; K51-I105 HydrophobicContact CG-CD1 4.16Å; K51-I105 HydrophobicContact CG-CG2 3.54Å; R101-I105 HydrophobicContact CG-CD1 3.71Å; R101-I105 HydrophobicContact CG-CG1 4.1Å; R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 VanDerWaalsContact O-CG1 3.22Å; R101-I105 WeakPolarHBondContact O-CG1 3.3Å; R101-I105 PolarHBondContact O-N 2.63Å; T102-I105 WeakPolarHBondContact O-CB 3.44Å; T102-I105 PolarHBondContact O-N 3.48Å; T102-I105 VanDerWaalsContact O-N 3.11Å
106E88.6Confident93.9Very high124 Ų12446 Ų4658%0.57923%0.231SC*.Hα-helixtrans-68-50.5-179-72.6169.8165.400109.8T102 A108 N109T102-E106 HydrophobicContact CG2-CG 4.4Å; T102-E106 WeakPolarHBondContact O-CG 3.45Å; T102-E106 PolarHBondContact O-N 2.64Å; E106-A108 VanDerWaalsContact C-N 3.28Å; E106-A108 PolarHBondContact O-N 3.46Å; E106-N109 PolarHBondContact O-N 3.49Å
107N90.8Very high93.9Very high87 Ų8744 Ų4447%0.46522%0.219SC..Hα-helixtrans-60.9-33.8175.9-165.832.7000112.9R103 N109 D110 V111R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 3.13Å; R103-N107 VanDerWaalsContact O-N 3.1Å; N107-N109 PolarHBondContact O-N 3.37Å; N107-D110 PolarHBondContact O-N 2.99Å; N107-V111 WeakPolarHBondContact O-CG2 3.22Å; N107-V111 PolarHBondContact O-N 2.82Å; N107-V111 WeakPolarHBondContact OD1-CG1 3.45Å
108A92.6Very high93.9Very high2 Ų248.8 Ų48.82%0.01723%0.234CC..Hα-helixtrans-59.1-28.2-17900000114.2I47 M104 E106 D110 L112 F203I47-A108 HydrophobicContact CD1-CB 3.97Å; I47-A108 HydrophobicContact CG1-CB 4.12Å; M104-A108 VanDerWaalsContact O-CB 3.24Å; M104-A108 WeakPolarHBondContact O-CB 3.36Å; M104-A108 PolarHBondContact O-N 2.8Å; E106-A108 VanDerWaalsContact C-N 3.28Å; E106-A108 PolarHBondContact O-N 3.46Å; A108-D110 VanDerWaalsContact C-N 3.34Å; A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.42Å; A108-L112 PolarHBondContact O-N 2.86Å; A108-F203 HydrophobicContact CB-CD2 3.81Å; A108-F203 HydrophobicContact CB-CE2 3.7Å
109N90.3Very high93.9Very high65 Ų6549.1 Ų49.135%0.34824%0.236SC..Iπ-helixtrans-65.7-41.1173.1-177.379.8000111.4E106 N107 I113 I114E106-N109 PolarHBondContact O-N 3.49Å; N107-N109 PolarHBondContact O-N 3.37Å; N109-I113 WeakPolarHBondContact O-CA 3.48Å; N109-I113 WeakPolarHBondContact O-CB 3.29Å; N109-I113 PolarHBondContact O-N 2.82Å; N109-I114 PolarHBondContact O-N 3.05Å
110D92.8Very high93.8Very high93 Ų9350.1 Ų50.150%0.49724%0.235SC..Iπ-helixtrans-89.4-29.1-168.4-64.91000112N107 A108 I114 P115N107-D110 PolarHBondContact O-N 2.99Å; A108-D110 VanDerWaalsContact C-N 3.34Å; D110-I114 WeakPolarHBondContact OD1-CD1 3.47Å; D110-P115 VanDerWaalsContact O-CD 3.24Å; D110-P115 WeakPolarHBondContact O-CD 3.47Å; D110-P115 WeakPolarHBondContact O-CG 3.45Å
111V94.8Very high93.8Very high34 Ų3454.1 Ų54.121%0.20625%0.251CS..Iπ-helixtrans-85.9-26.4173.3-56.30000114.4N107 P199 A202N107-V111 WeakPolarHBondContact O-CG2 3.22Å; N107-V111 PolarHBondContact O-N 2.82Å; N107-V111 WeakPolarHBondContact OD1-CG1 3.45Å; V111-P199 VanDerWaalsContact O-CA 3.23Å; V111-P199 WeakPolarHBondContact O-CA 3.44Å; V111-P199 VanDerWaalsContact O-CB 3.25Å; V111-P199 WeakPolarHBondContact O-CB 3.45Å; V111-A202 HydrophobicContact CB-CB 3.99Å; V111-A202 HydrophobicContact CG2-CB 4.31Å
112L95.3Very high93.8Very high10 Ų1058.2 Ų58.25%0.05227%0.271CS..Iπ-helixtrans-112.3-55.5-177-176.365.1000113.2A108 L116 P199 L200 F203A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.42Å; A108-L112 PolarHBondContact O-N 2.86Å; L112-L116 HydrophobicContact CD1-CD1 3.66Å; L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 4.14Å; L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.22Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 2.99Å; L112-P199 HydrophobicContact CD1-CB 4.17Å; L112-L200 HydrophobicContact CD1-CD2 3.71Å; L112-L200 HydrophobicContact CD1-CG 4.17Å; L112-F203 HydrophobicContact CB-CB 4.24Å; L112-F203 HydrophobicContact CD1-CB 4.43Å; L112-F203 HydrophobicContact CD2-CB 4.3Å; L112-F203 HydrophobicContact CD2-CD1 4.03Å; L112-F203 HydrophobicContact CD2-CD2 4.22Å; L112-F203 HydrophobicContact CD2-CE1 4.43Å; L112-F203 HydrophobicContact CD2-CG 3.91Å
113I95.6Very high93.8Very high3 Ų357.7 Ų57.72%0.01527%0.267CS..Iπ-helixtrans-75-48-167.6-58.6-55.8000111.7I40 K44 I47 N109 E117I40-I113 HydrophobicContact CG2-CG2 4.38Å; K44-I113 HydrophobicContact CD-CG2 4.41Å; K44-I113 HydrophobicContact CG-CD1 4.06Å; K44-I113 HydrophobicContact CG-CG1 4.34Å; K44-I113 HydrophobicContact CG-CG2 4.26Å; I47-I113 HydrophobicContact CD1-CD1 4.12Å; I47-I113 HydrophobicContact CD1-CG1 3.65Å; N109-I113 WeakPolarHBondContact O-CA 3.48Å; N109-I113 WeakPolarHBondContact O-CB 3.29Å; N109-I113 PolarHBondContact O-N 2.82Å; I113-E117 WeakPolarHBondContact O-CB 3.4Å; I113-E117 PolarHBondContact O-N 3.26Å
114I95.5Very high93.9Very high72 Ų7250.6 Ų50.637%0.36924%0.241SC..Hα-helixtrans-63.2-46-179.6-67.9-179.3000112N109 D110 E117 R118N109-I114 PolarHBondContact O-N 3.05Å; D110-I114 WeakPolarHBondContact OD1-CD1 3.47Å; I114-E117 PolarHBondContact O-N 3.5Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 PolarHBondContact O-N 3.33Å
115P96.3Very high93.9Very high31 Ų3152.2 Ų52.220%0.20125%0.253CS..Hα-helixtrans-63.7-42.6178.3-27.938.9000113.6D110 E117 R118 F119 P199D110-P115 VanDerWaalsContact O-CD 3.24Å; D110-P115 WeakPolarHBondContact O-CD 3.47Å; D110-P115 WeakPolarHBondContact O-CG 3.45Å; P115-E117 PolarHBondContact O-N 2.94Å; P115-R118 WeakPolarHBondContact O-CB 3.46Å; P115-R118 PolarHBondContact O-N 2.9Å; P115-R118 VanDerWaalsContact O-N 3.13Å; P115-F119 PolarHBondContact O-N 2.98Å; P115-P199 HydrophobicContact CB-CB 4.12Å; P115-P199 HydrophobicContact CB-CG 3.54Å; P115-P199 HydrophobicContact CG-CG 4.33Å
116L95.5Very high94Very high1 Ų153.3 Ų53.31%0.00526%0.264CS..Hα-helixtrans-65.6-38.8176.7-69.1178.4000112I36 L39 I40 L112 R120 F196 P199I36-L116 HydrophobicContact CG2-CB 4.4Å; L39-L116 HydrophobicContact CD2-CD1 4.21Å; I40-L116 HydrophobicContact CD1-CB 3.9Å; I40-L116 HydrophobicContact CG1-CB 3.68Å; I40-L116 HydrophobicContact CG1-CD1 4.33Å; L112-L116 HydrophobicContact CD1-CD1 3.66Å; L112-L116 HydrophobicContact CD1-CG 4.43Å; L112-L116 HydrophobicContact CG-CD1 4.14Å; L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.22Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 2.99Å; L116-R120 WeakPolarHBondContact O-CB 3.09Å; L116-R120 PolarHBondContact O-N 2.87Å; L116-F196 HydrophobicContact CD2-CD2 3.34Å; L116-F196 HydrophobicContact CD2-CE2 3.71Å; L116-F196 HydrophobicContact CD2-CG 4.27Å; L116-P199 HydrophobicContact CG-CB 4.38Å
117E95.9Very high94.3Very high49 Ų4947.4 Ų47.423%0.22924%0.236CC..Hα-helixtrans-63.9-39.9170-82.2-162.8-15700112.2I40 K44 I113 I114 P115 R120 K121I40-E117 HydrophobicContact CD1-CG 3.92Å; I40-E117 HydrophobicContact CG2-CG 4.11Å; K44-E117 IonicContact NZ-OE1 2.79Å; K44-E117 PolarHBondContact NZ-OE1 3.25Å; I113-E117 WeakPolarHBondContact O-CB 3.4Å; I113-E117 PolarHBondContact O-N 3.26Å; I114-E117 PolarHBondContact O-N 3.5Å; P115-E117 PolarHBondContact O-N 2.94Å; E117-R120 PolarHBondContact O-N 2.68Å; E117-K121 HydrophobicContact CB-CD 4.45Å; E117-K121 VanDerWaalsContact O-CB 3.25Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CD 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.42Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-K121 WeakPolarHBondContact OE2-CE 3.44Å; E117-K121 IonicContact OE2-NZ 2.77Å; E117-K121 PolarHBondContact OE2-NZ 3.5Å
118R95.3Very high94.5Very high133 Ų13346.9 Ų46.950%0.50223%0.23SC..Hα-helixtrans-62.4-54178.6-171.8-175.7-70.7148.21111.3I114 P115 R120 K121 E122I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 PolarHBondContact O-N 3.33Å; P115-R118 WeakPolarHBondContact O-CB 3.46Å; P115-R118 PolarHBondContact O-N 2.9Å; P115-R118 VanDerWaalsContact O-N 3.13Å; R118-R120 VanDerWaalsContact C-N 3.26Å; R118-R120 PolarHBondContact O-N 3.22Å; R118-K121 PolarHBondContact O-N 3.03Å; R118-E122 WeakPolarHBondContact CD-OE2 3.49Å; R118-E122 HydrophobicContact CG-CG 4.15Å; R118-E122 WeakPolarHBondContact CG-OE1 3.41Å; R118-E122 WeakPolarHBondContact CG-OE2 3.48Å; R118-E122 WeakPolarHBondContact O-CB 3.25Å; R118-E122 PolarHBondContact O-N 3.05Å
119F95Very high94.7Very high7 Ų753.5 Ų53.53%0.03126%0.26CS..Hα-helixtrans-54.3-44.2177.6179.5-97000111.6I36 P115 Q123 I124 V188 R191 K192 D195I36-F119 HydrophobicContact CD1-CD1 3.66Å; I36-F119 HydrophobicContact CD1-CE1 3.73Å; P115-F119 PolarHBondContact O-N 2.98Å; F119-Q123 HydrophobicContact CD2-CB 3.96Å; F119-Q123 HydrophobicContact CD2-CG 3.73Å; F119-Q123 HydrophobicContact CE2-CB 3.94Å; F119-Q123 HydrophobicContact CE2-CG 4.01Å; F119-Q123 HydrophobicContact CG-CG 4.49Å; F119-Q123 HydrophobicContact CZ-CB 4.46Å; F119-Q123 WeakPolarHBondContact O-CB 3.37Å; F119-Q123 PolarHBondContact O-N 3.29Å; F119-I124 HydrophobicContact CD1-CD1 4.23Å; F119-I124 HydrophobicContact CD1-CG1 4.35Å; F119-I124 HydrophobicContact CE1-CD1 3.94Å; F119-I124 HydrophobicContact CE1-CG1 4Å; F119-I124 PolarHBondContact O-N 3.29Å; F119-V188 HydrophobicContact CE2-CG1 4.42Å; F119-V188 HydrophobicContact CZ-CG1 3.86Å; F119-R191 HydrophobicContact CE2-CB 4.04Å; F119-K192 HydrophobicContact CE1-CB 4.37Å; F119-K192 HydrophobicContact CE2-CB 4.4Å; F119-K192 HydrophobicContact CZ-CB 3.7Å; F119-D195 HydrophobicContact CD2-CB 3.47Å; F119-D195 VanDerWaalsContact CD2-CB 3.47Å; F119-D195 HydrophobicContact CE2-CB 4.01Å; F119-D195 HydrophobicContact CG-CB 4.26Å
120R94.3Very high95Very high85 Ų8551.2 Ų51.232%0.32125%0.251SS..Hα-helixtrans-68.1-36.2177.1-177.3171.9172-83.1-16.8113.4N33 I36 L116 E117 R118 I124 S125N33-R120 PolarHBondContact OD1-NE 2.99Å; N33-R120 PolarHBondContact OD1-NH2 3.32Å; I36-R120 HydrophobicContact CG2-CB 4.17Å; L116-R120 WeakPolarHBondContact O-CB 3.09Å; L116-R120 PolarHBondContact O-N 2.87Å; E117-R120 PolarHBondContact O-N 2.68Å; R118-R120 VanDerWaalsContact C-N 3.26Å; R118-R120 PolarHBondContact O-N 3.22Å; R120-I124 HydrophobicContact CG-CD1 4.46Å; R120-S125 PolarHBondContact O-OG 3.24Å
121K94.3Very high95.2Very high123 Ų12349.6 Ų49.654%0.53524%0.239SC..Hα-helixtrans-77.2-40.5-179.7-78.2165.2173167.30112.8E117 R118 S125E117-K121 HydrophobicContact CB-CD 4.45Å; E117-K121 VanDerWaalsContact O-CB 3.25Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CD 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.42Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-K121 WeakPolarHBondContact OE2-CE 3.44Å; E117-K121 IonicContact OE2-NZ 2.77Å; E117-K121 PolarHBondContact OE2-NZ 3.5Å; R118-K121 PolarHBondContact O-N 3.03Å; K121-S125 WeakPolarHBondContact O-CB 3.22Å; K121-S125 PolarHBondContact O-OG 3.41Å
122E93.8Very high95.3Very high103 Ų10355.6 Ų55.648%0.48126%0.262SS..Hα-helixtrans-94-54.3-172.9-65.6172-173.200111.6R118 A126R118-E122 WeakPolarHBondContact CD-OE2 3.49Å; R118-E122 HydrophobicContact CG-CG 4.15Å; R118-E122 WeakPolarHBondContact CG-OE1 3.41Å; R118-E122 WeakPolarHBondContact CG-OE2 3.48Å; R118-E122 WeakPolarHBondContact O-CB 3.25Å; R118-E122 PolarHBondContact O-N 3.05Å; E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 2.88Å
123Q94.3Very high95.4Very high15 Ų1558.9 Ų58.97%0.0728%0.276CS..Hα-helixtrans-78.3-51.9-171.4-54.3-49.1-37.600112F119 S125 A126 A127 E187 V188F119-Q123 HydrophobicContact CD2-CB 3.96Å; F119-Q123 HydrophobicContact CD2-CG 3.73Å; F119-Q123 HydrophobicContact CE2-CB 3.94Å; F119-Q123 HydrophobicContact CE2-CG 4.01Å; F119-Q123 HydrophobicContact CG-CG 4.49Å; F119-Q123 HydrophobicContact CZ-CB 4.46Å; F119-Q123 WeakPolarHBondContact O-CB 3.37Å; F119-Q123 PolarHBondContact O-N 3.29Å; Q123-S125 PolarHBondContact O-N 3.25Å; Q123-A126 PolarHBondContact O-N 2.85Å; Q123-A127 PolarHBondContact O-N 2.96Å; Q123-A127 VanDerWaalsContact O-N 3.16Å; Q123-E187 PolarHBondContact OE1-OE1 3.21Å; Q123-V188 HydrophobicContact CB-CG1 4.14Å; Q123-V188 HydrophobicContact CB-CG2 3.98Å; Q123-V188 WeakPolarHBondContact O-CG2 3.36Å
124I93.5Very high95.5Very high3 Ų358.9 Ų58.92%0.01528%0.276CS..Hα-helixtrans-67.8-36.6-178.4-60.7-175.9000111.8L29 N33 I36 F119 R120 K128 V188L29-I124 HydrophobicContact CD1-CG1 4.3Å; L29-I124 HydrophobicContact CG-CG2 4.49Å; N33-I124 HydrophobicContact CB-CD1 4.15Å; N33-I124 HydrophobicContact CB-CG2 3.97Å; I36-I124 HydrophobicContact CD1-CD1 4.28Å; F119-I124 HydrophobicContact CD1-CD1 4.23Å; F119-I124 HydrophobicContact CD1-CG1 4.35Å; F119-I124 HydrophobicContact CE1-CD1 3.94Å; F119-I124 HydrophobicContact CE1-CG1 4Å; F119-I124 PolarHBondContact O-N 3.29Å; R120-I124 HydrophobicContact CG-CD1 4.46Å; I124-K128 HydrophobicContact CG2-CD 4.33Å; I124-K128 WeakPolarHBondContact O-CG 3.32Å; I124-K128 PolarHBondContact O-N 3.4Å; I124-V188 HydrophobicContact CG1-CG1 4.35Å
125S93.8Very high95.6Very high50 Ų5058.2 Ų58.235%0.3527%0.273SS..Hα-helixtrans-67-46.5176.2-50.30000111.6R120 K121 Q123 A127 K128 E129R120-S125 PolarHBondContact O-OG 3.24Å; K121-S125 WeakPolarHBondContact O-CB 3.22Å; K121-S125 PolarHBondContact O-OG 3.41Å; Q123-S125 PolarHBondContact O-N 3.25Å; S125-A127 VanDerWaalsContact C-N 3.3Å; S125-A127 PolarHBondContact O-N 3.48Å; S125-K128 CarbonylContact O-C 3.58Å; S125-K128 WeakPolarHBondContact O-CA 3.4Å; S125-K128 WeakPolarHBondContact O-CB 3.36Å; S125-K128 PolarHBondContact O-N 3.18Å; S125-E129 PolarHBondContact O-N 2.86Å
126A95Very high95.7Very high30 Ų3062.8 Ų62.825%0.24829%0.29CS..Hα-helixtrans-60.3-38.7179.300000112.3E122 Q123 K128 E129 A130E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 2.88Å; Q123-A126 PolarHBondContact O-N 2.85Å; A126-K128 VanDerWaalsContact C-N 3.31Å; A126-K128 PolarHBondContact O-N 3.45Å; A126-E129 PolarHBondContact O-N 2.86Å; A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.38Å
127A95.5Very high95.8Very high0 Ų063.3 Ų63.30%029%0.292CS..Hα-helixtrans-64.4-33.317300000113L29 Q123 S125 K131 K184 V188L29-A127 HydrophobicContact CD2-CB 3.78Å; Q123-A127 PolarHBondContact O-N 2.96Å; Q123-A127 VanDerWaalsContact O-N 3.16Å; S125-A127 VanDerWaalsContact C-N 3.3Å; S125-A127 PolarHBondContact O-N 3.48Å; A127-K131 PolarHBondContact O-N 3.27Å; A127-K184 HydrophobicContact CB-CG 4.33Å; A127-V188 HydrophobicContact CB-CG2 4.12Å
128K95.2Very high95.8Very high76 Ų7662 Ų6233%0.3329%0.287SS..Hα-helixtrans-75.5-31.1174.8-73.6171.5175.5-78.90113.1D30 I124 S125 A126 K132D30-K128 WeakPolarHBondContact OD1-CE 3.24Å; D30-K128 IonicContact OD1-NZ 3.33Å; D30-K128 PolarHBondContact OD1-NZ 2.88Å; D30-K128 IonicContact OD2-NZ 2.74Å; D30-K128 PolarHBondContact OD2-NZ 3.27Å; I124-K128 HydrophobicContact CG2-CD 4.33Å; I124-K128 WeakPolarHBondContact O-CG 3.32Å; I124-K128 PolarHBondContact O-N 3.4Å; S125-K128 CarbonylContact O-C 3.58Å; S125-K128 WeakPolarHBondContact O-CA 3.4Å; S125-K128 WeakPolarHBondContact O-CB 3.36Å; S125-K128 PolarHBondContact O-N 3.18Å; A126-K128 VanDerWaalsContact C-N 3.31Å; A126-K128 PolarHBondContact O-N 3.45Å; K128-K132 PolarHBondContact O-N 2.9Å
129E96.2Very high95.9Very high140 Ų14062.3 Ų62.365%0.65430%0.295SS*.Hα-helixtrans-72.5-41.4172.2-68.8-176.8137.700111.5S125 A126 K131 K132 K133S125-E129 PolarHBondContact O-N 2.86Å; A126-E129 PolarHBondContact O-N 2.86Å; E129-K131 PolarHBondContact O-N 3.03Å; E129-K132 PolarHBondContact O-N 3.12Å; E129-K132 VanDerWaalsContact O-N 3.16Å; E129-K133 PolarHBondContact O-N 3.23Å
130A96.9Very high96Very high18 Ų1866 Ų6615%0.14931%0.311CS..Hα-helixtrans-58.7-45170.300000111.4A126 K132 K133 Y134 Y181 K184A126-A130 WeakPolarHBondContact O-CB 3.49Å; A126-A130 PolarHBondContact O-N 3.38Å; A130-K132 PolarHBondContact O-N 2.82Å; A130-K133 WeakPolarHBondContact O-CB 3.33Å; A130-K133 PolarHBondContact O-N 2.97Å; A130-Y134 WeakPolarHBondContact O-CB 3.46Å; A130-Y134 PolarHBondContact O-N 3.45Å; A130-Y181 HydrophobicContact CB-CD2 3.83Å; A130-K184 HydrophobicContact CB-CB 4.34Å; A130-K184 HydrophobicContact CB-CG 4.45Å
131K96.9Very high96.1Very high58 Ų5863.5 Ų63.525%0.25230%0.302SS..Hα-helixtrans-54.5-50.7171179.5170.5174.5139.30111.6E26 A127 E129 K133 Y134 D135 Y181E26-K131 HydrophobicContact CG-CD 4.46Å; E26-K131 WeakPolarHBondContact OE1-CD 3.2Å; E26-K131 WeakPolarHBondContact OE1-CE 3.43Å; E26-K131 IonicContact OE1-NZ 3.9Å; E26-K131 PolarHBondContact OE1-NZ 3.33Å; E26-K131 IonicContact OE2-NZ 2.95Å; E26-K131 PolarHBondContact OE2-NZ 2.84Å; A127-K131 PolarHBondContact O-N 3.27Å; E129-K131 PolarHBondContact O-N 3.03Å; K131-K133 VanDerWaalsContact C-N 3.25Å; K131-K133 PolarHBondContact O-N 2.72Å; K131-Y134 CarbonylContact O-C 3.59Å; K131-Y134 WeakPolarHBondContact O-CA 3.35Å; K131-Y134 WeakPolarHBondContact O-CB 3.45Å; K131-Y134 PolarHBondContact O-N 2.99Å; K131-D135 WeakPolarHBondContact CE-OD1 3.4Å; K131-D135 WeakPolarHBondContact CE-OD2 3.19Å; K131-D135 WeakPolarHBondContact CG-OD2 3.32Å; K131-D135 IonicContact NZ-OD1 2.64Å; K131-D135 PolarHBondContact O-N 3.14Å; K131-Y181 HydrophobicContact CB-CD2 4.34Å; K131-Y181 HydrophobicContact CB-CE1 4.36Å; K131-Y181 HydrophobicContact CB-CE2 3.55Å; K131-Y181 WeakPolarHBondContact CB-OH 3.41Å; K131-Y181 HydrophobicContact CG-CE1 4.37Å; K131-Y181 HydrophobicContact CG-CE2 4.37Å
132K97.3Very high96.2Very high161 Ų16160.8 Ų60.870%0.730%0.298SS*.Hα-helixtrans-61.7-32.7-178.5-173-178.4176.4-173.60112.6K128 E129 A130 K136K128-K132 PolarHBondContact O-N 2.9Å; E129-K132 PolarHBondContact O-N 3.12Å; E129-K132 VanDerWaalsContact O-N 3.16Å; A130-K132 PolarHBondContact O-N 2.82Å; K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.02Å
133K97.4Very high96.3Very high79 Ų7958.6 Ų58.634%0.34330%0.297SS..Hα-helixtrans-65.2-48.5171-166.8-171.2178-167.60110.4E129 A130 K131 K136 E137 V177 E180E129-K133 PolarHBondContact O-N 3.23Å; A130-K133 WeakPolarHBondContact O-CB 3.33Å; A130-K133 PolarHBondContact O-N 2.97Å; K131-K133 VanDerWaalsContact C-N 3.25Å; K131-K133 PolarHBondContact O-N 2.72Å; K133-K136 PolarHBondContact O-N 3.12Å; K133-E137 WeakPolarHBondContact O-CG 3.28Å; K133-E137 PolarHBondContact O-N 2.95Å; K133-V177 HydrophobicContact CB-CG1 4.22Å; K133-V177 HydrophobicContact CD-CG1 3.95Å; K133-V177 HydrophobicContact CD-CG2 4.13Å; K133-V177 HydrophobicContact CG-CG1 3.79Å; K133-V177 HydrophobicContact CG-CG2 4.39Å; K133-E180 IonicContact NZ-OE1 3.36Å; K133-E180 PolarHBondContact NZ-OE1 2.7Å; K133-E180 IonicContact NZ-OE2 2.67Å; K133-E180 PolarHBondContact NZ-OE2 3.2Å
134Y97.9Very high96.4Very high2 Ų259.2 Ų59.21%0.00830%0.301CS..Hα-helixtrans-64.6-43.7179.9171.6-107000114.6R19 L22 A130 K131 E137 T138 F174 S178 Y181R19-Y134 PolarHBondContact NE-OH 3.48Å; R19-Y134 VanDerWaalsContact NE-OH 3.15Å; R19-Y134 VanDerWaalsContact NH1-CE1 3.3Å; R19-Y134 VanDerWaalsContact NH1-CZ 3.34Å; R19-Y134 PolarHBondContact NH1-OH 3.41Å; R19-Y134 PolarHBondContact NH2-OH 3.02Å; L22-Y134 HydrophobicContact CD2-CE1 3.59Å; L22-Y134 WeakPolarHBondContact CD2-OH 3.43Å; A130-Y134 WeakPolarHBondContact O-CB 3.46Å; A130-Y134 PolarHBondContact O-N 3.45Å; K131-Y134 CarbonylContact O-C 3.59Å; K131-Y134 WeakPolarHBondContact O-CA 3.35Å; K131-Y134 WeakPolarHBondContact O-CB 3.45Å; K131-Y134 PolarHBondContact O-N 2.99Å; Y134-E137 PolarHBondContact O-N 3.06Å; Y134-T138 WeakPolarHBondContact O-CB 3.22Å; Y134-T138 PolarHBondContact O-N 2.89Å; Y134-T138 PolarHBondContact O-OG1 3.3Å; Y134-F174 HydrophobicContact CD2-CE2 4.28Å; Y134-F174 AromaticContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CZ 4.27Å; Y134-S178 WeakPolarHBondContact CE2-OG 3.42Å; Y134-Y181 AromaticContact CD1-CD1 3.31Å; Y134-Y181 HydrophobicContact CD1-CD1 3.31Å; Y134-Y181 AromaticContact CD1-CE1 3.51Å; Y134-Y181 HydrophobicContact CD1-CE1 3.51Å; Y134-Y181 HydrophobicContact CD1-CG 4.37Å; Y134-Y181 HydrophobicContact CD2-CD1 4.1Å; Y134-Y181 AromaticContact CE1-CD1 3.78Å; Y134-Y181 HydrophobicContact CE1-CD1 3.78Å; Y134-Y181 AromaticContact CE1-CE1 3.86Å; Y134-Y181 HydrophobicContact CE1-CE1 3.86Å; Y134-Y181 AromaticContact CG-CD1 3.45Å; Y134-Y181 HydrophobicContact CG-CD1 3.45Å; Y134-Y181 VanDerWaalsContact CG-CD1 3.45Å; Y134-Y181 HydrophobicContact CG-CE1 4.12Å; Y134-Y181 HydrophobicContact CG-CG 4.15Å
135D97.4Very high96.5Very high59 Ų5961.6 Ų61.632%0.31631%0.314SS..Hα-helixtrans-60-48.6175.5-68.4-22.7000110.1K131 E137 T138 E139K131-D135 WeakPolarHBondContact CE-OD1 3.4Å; K131-D135 WeakPolarHBondContact CE-OD2 3.19Å; K131-D135 WeakPolarHBondContact CG-OD2 3.32Å; K131-D135 IonicContact NZ-OD1 2.64Å; K131-D135 PolarHBondContact O-N 3.14Å; D135-E137 PolarHBondContact O-N 3.37Å; D135-T138 WeakPolarHBondContact O-CB 3.32Å; D135-T138 PolarHBondContact O-N 2.95Å; D135-E139 PolarHBondContact O-N 3Å
136K97.8Very high96.6Very high127 Ų12766.1 Ų66.155%0.55233%0.33SS*.Hα-helixtrans-61.4-45.4179173.8178170.1-82.30113K132 K133 T138 E139 K140K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.02Å; K133-K136 PolarHBondContact O-N 3.12Å; K136-T138 VanDerWaalsContact C-N 3.33Å; K136-E139 PolarHBondContact O-N 3.5Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.36Å; K136-K140 VanDerWaalsContact O-N 3.11Å
137E97.4Very high96.6Very high12 Ų1270.7 Ų70.76%0.05634%0.344CS..Hα-helixtrans-76.6-22.2179.9-58.7-58.1119.400112K133 Y134 D135 K140 Y141 H173 V177K133-E137 WeakPolarHBondContact O-CG 3.28Å; K133-E137 PolarHBondContact O-N 2.95Å; Y134-E137 PolarHBondContact O-N 3.06Å; D135-E137 PolarHBondContact O-N 3.37Å; E137-K140 WeakPolarHBondContact OE2-CD 3.33Å; E137-K140 WeakPolarHBondContact OE2-CE 3.27Å; E137-K140 IonicContact OE2-NZ 3.33Å; E137-K140 PolarHBondContact OE2-NZ 3.48Å; E137-Y141 VanDerWaalsContact O-CB 3.29Å; E137-Y141 WeakPolarHBondContact O-CB 3.32Å; E137-Y141 PolarHBondContact O-N 2.95Å; E137-H173 IonicContact OE2-CD2 3.89Å; E137-V177 HydrophobicContact CG-CG2 4.45Å
138T96.9Very high96.6Very high20 Ų2072.9 Ų72.912%0.12335%0.354CS..Hα-helixtrans-61.9-55.1164.9-620000110.5R19 Y134 D135 K136 K140 Y141 C142 F174R19-T138 PolarHBondContact NH1-OG1 2.79Å; R19-T138 PolarHBondContact NH2-OG1 3.47Å; R19-T138 VanDerWaalsContact NH2-OG1 3.08Å; Y134-T138 WeakPolarHBondContact O-CB 3.22Å; Y134-T138 PolarHBondContact O-N 2.89Å; Y134-T138 PolarHBondContact O-OG1 3.3Å; D135-T138 WeakPolarHBondContact O-CB 3.32Å; D135-T138 PolarHBondContact O-N 2.95Å; K136-T138 VanDerWaalsContact C-N 3.33Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.32Å; T138-Y141 PolarHBondContact O-N 3.19Å; T138-Y141 VanDerWaalsContact O-N 3.14Å; T138-C142 PolarHBondContact O-N 2.95Å; T138-C142 PolarHBondContact O-SG 3.34Å; T138-C142 VanDerWaalsContact O-SG 3.36Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.32Å
139E97.1Very high96.6Very high141 Ų14175.3 Ų75.366%0.65937%0.37SS*.Hα-helixtrans-54.9-46.4180-71.3174.6172.400111.6D135 K136 C142 A143D135-E139 PolarHBondContact O-N 3Å; K136-E139 PolarHBondContact O-N 3.5Å; E139-C142 PolarHBondContact O-N 3.34Å; E139-A143 WeakPolarHBondContact O-CB 3.35Å; E139-A143 PolarHBondContact O-N 3Å
140K97Very high96.5Very high85 Ų8573 Ų7337%0.3737%0.369SS..Hα-helixtrans-60.9-45.3176.5179.1-159.2179-164.70112.3K136 E137 T138 A143 V144 V170K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.36Å; K136-K140 VanDerWaalsContact O-N 3.11Å; E137-K140 WeakPolarHBondContact OE2-CD 3.33Å; E137-K140 WeakPolarHBondContact OE2-CE 3.27Å; E137-K140 IonicContact OE2-NZ 3.33Å; E137-K140 PolarHBondContact OE2-NZ 3.48Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.32Å; K140-A143 PolarHBondContact O-N 3.04Å; K140-V144 WeakPolarHBondContact O-CB 3.34Å; K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.18Å; K140-V144 PolarHBondContact O-N 2.73Å; K140-V170 HydrophobicContact CD-CG1 4.29Å; K140-V170 HydrophobicContact CG-CG1 4.3Å
141Y96.8Very high96.3Very high32 Ų3274.6 Ų74.613%0.12538%0.375CS..Hα-helixtrans-63.8-47.8178.5172.3-129000111.3E137 T138 A143 V144 L145 V170 R171 F174E137-Y141 VanDerWaalsContact O-CB 3.29Å; E137-Y141 WeakPolarHBondContact O-CB 3.32Å; E137-Y141 PolarHBondContact O-N 2.95Å; T138-Y141 PolarHBondContact O-N 3.19Å; T138-Y141 VanDerWaalsContact O-N 3.14Å; Y141-A143 PolarHBondContact O-N 3.36Å; Y141-V144 PolarHBondContact O-N 2.87Å; Y141-L145 HydrophobicContact CE2-CB 4.45Å; Y141-L145 HydrophobicContact CE2-CD2 4.45Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 PolarHBondContact O-N 3.06Å; Y141-V170 HydrophobicContact CD2-CG1 4.24Å; Y141-R171 HydrophobicContact CD2-CB 4.26Å; Y141-R171 HydrophobicContact CE2-CB 3.65Å; Y141-R171 HydrophobicContact CE2-CG 3.99Å; Y141-R171 WeakPolarHBondContact OH-CD 3.43Å; Y141-F174 HydrophobicContact CD1-CB 4.29Å; Y141-F174 AromaticContact CD1-CD1 3.63Å; Y141-F174 HydrophobicContact CD1-CD1 3.63Å; Y141-F174 HydrophobicContact CD1-CD2 4.4Å; Y141-F174 HydrophobicContact CD1-CE1 4.07Å; Y141-F174 AromaticContact CD1-CG 3.82Å; Y141-F174 HydrophobicContact CD1-CG 3.82Å; Y141-F174 AromaticContact CE1-CD1 3.91Å; Y141-F174 HydrophobicContact CE1-CD1 3.91Å; Y141-F174 HydrophobicContact CE1-CE1 4.2Å; Y141-F174 HydrophobicContact CG-CB 4.13Å; Y141-F174 HydrophobicContact CG-CD1 4.31Å; Y141-F174 HydrophobicContact CG-CG 4.15Å
142C95.6Very high96.1Very high66 Ų6675.1 Ų75.145%0.44639%0.386SS..Hα-helixtrans-57.9-46.4176.3-65.40000112.1T138 E139 L145 E146T138-C142 PolarHBondContact O-N 2.95Å; T138-C142 PolarHBondContact O-SG 3.34Å; T138-C142 VanDerWaalsContact O-SG 3.36Å; E139-C142 PolarHBondContact O-N 3.34Å; C142-L145 PolarHBondContact O-N 2.94Å; C142-E146 WeakPolarHBondContact O-CB 3.17Å; C142-E146 PolarHBondContact O-N 3.19Å
143A96.6Very high95.7Very high56 Ų5671.9 Ų71.946%0.46339%0.389SS..Hα-helixtrans-67.3-36.3-179.600000113.4E139 K140 Y141 K147E139-A143 WeakPolarHBondContact O-CB 3.35Å; E139-A143 PolarHBondContact O-N 3Å; K140-A143 PolarHBondContact O-N 3.04Å; Y141-A143 PolarHBondContact O-N 3.36Å; A143-K147 VanDerWaalsContact O-CB 3.28Å; A143-K147 WeakPolarHBondContact O-CB 3.47Å; A143-K147 PolarHBondContact O-N 3.33Å; A143-K147 VanDerWaalsContact O-N 3.13Å
144V96.5Very high95.4Very high28 Ų2877.6 Ų77.617%0.1741%0.414CS..Hα-helixtrans-70.5-39.5174.9171.30000110.9K140 Y141 H148 Q166 V167 V170K140-V144 WeakPolarHBondContact O-CB 3.34Å; K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.18Å; K140-V144 PolarHBondContact O-N 2.73Å; Y141-V144 PolarHBondContact O-N 2.87Å; V144-H148 WeakPolarHBondContact O-CB 3.4Å; V144-H148 PolarHBondContact O-N 3.43Å; V144-Q166 HydrophobicContact CG1-CG 4.05Å; V144-V167 HydrophobicContact CG1-CG2 4.09Å; V144-V170 HydrophobicContact CG1-CG2 4.39Å
145L95.6Very high95.1Very high53 Ų5382.5 Ų82.528%0.27744%0.435SS..Hα-helixtrans-66.3-46176.9-178.961.8000112.1Y141 C142 K147 H148 L149 V167Y141-L145 HydrophobicContact CE2-CB 4.45Å; Y141-L145 HydrophobicContact CE2-CD2 4.45Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 PolarHBondContact O-N 3.06Å; C142-L145 PolarHBondContact O-N 2.94Å; L145-K147 PolarHBondContact O-N 3.17Å; L145-H148 PolarHBondContact O-N 2.92Å; L145-L149 HydrophobicContact CD1-CD1 4.11Å; L145-L149 HydrophobicContact CD1-CG 4.23Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 WeakPolarHBondContact O-CB 3.2Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.22Å; L145-L149 PolarHBondContact O-N 3.15Å; L145-V167 HydrophobicContact CD1-CG1 4.14Å
146E96.4Very high94.9Very high146 Ų14687 Ų8768%0.68245%0.452SS*.Hα-helixtrans-59.8-47.2175.3-177.7179-159.700111.2C142 H148 L149 S150C142-E146 WeakPolarHBondContact O-CB 3.17Å; C142-E146 PolarHBondContact O-N 3.19Å; E146-H148 VanDerWaalsContact C-N 3.31Å; E146-H148 PolarHBondContact O-N 3.3Å; E146-L149 PolarHBondContact O-N 3.2Å; E146-S150 WeakPolarHBondContact O-CB 3.45Å; E146-S150 PolarHBondContact O-N 3.3Å
147K94.6Very high94.5Very high125 Ų12588 Ų8854%0.54346%0.459SS..Hα-helixtrans-57.5-43174.9-179.4-168.6170.4-157.70111.7A143 L145 S150A143-K147 VanDerWaalsContact O-CB 3.28Å; A143-K147 WeakPolarHBondContact O-CB 3.47Å; A143-K147 PolarHBondContact O-N 3.33Å; A143-K147 VanDerWaalsContact O-N 3.13Å; L145-K147 PolarHBondContact O-N 3.17Å; K147-S150 PolarHBondContact O-N 2.98Å; K147-S150 PolarHBondContact O-OG 2.88Å
148H95.1Very high94.2Very high46 Ų4691 Ų9121%0.21348%0.482CS..Hα-helixtrans-63.8-49.5176.3170.3105000111.7V144 L145 E146 S150 L151 A163 D164 V167V144-H148 WeakPolarHBondContact O-CB 3.4Å; V144-H148 PolarHBondContact O-N 3.43Å; L145-H148 PolarHBondContact O-N 2.92Å; E146-H148 VanDerWaalsContact C-N 3.31Å; E146-H148 PolarHBondContact O-N 3.3Å; H148-S150 PolarHBondContact O-N 3.38Å; H148-L151 VanDerWaalsContact O-CB 3.22Å; H148-L151 WeakPolarHBondContact O-CB 3.36Å; H148-L151 VanDerWaalsContact O-CG 3.28Å; H148-L151 WeakPolarHBondContact O-CG 3.24Å; H148-L151 PolarHBondContact O-N 3.12Å; H148-A163 PolarHBondContact ND1-O 2.95Å; H148-D164 IonicContact CE1-OD1 2.74Å; H148-D164 PolarHBondContact CE1-OD1 2.94Å; H148-V167 HydrophobicContact CB-CG2 3.36Å; H148-V167 VanDerWaalsContact CG-CG2 3.45Å
149L94.4Very high93.9Very high127 Ų12794.2 Ų94.267%0.66550%0.495SS*.Hα-helixtrans-63.9-22.6179.4-67.5171.3000112.8L145 E146 L151L145-L149 HydrophobicContact CD1-CD1 4.11Å; L145-L149 HydrophobicContact CD1-CG 4.23Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 WeakPolarHBondContact O-CB 3.2Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.22Å; L145-L149 PolarHBondContact O-N 3.15Å; E146-L149 PolarHBondContact O-N 3.2Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 3.15Å
150S94.3Very high93.6Very high91 Ų9189.7 Ų89.764%0.63648%0.475SS*.THydrogen-bonded Turntrans-76.4-7.1172.581.30000114.8E146 K147 H148 S152E146-S150 WeakPolarHBondContact O-CB 3.45Å; E146-S150 PolarHBondContact O-N 3.3Å; K147-S150 PolarHBondContact O-N 2.98Å; K147-S150 PolarHBondContact O-OG 2.88Å; H148-S150 PolarHBondContact O-N 3.38Å; S150-S152 PolarHBondContact O-N 3.23Å
151L93.8Very high93.4Very high52 Ų5291.1 Ų91.127%0.27248%0.482SS..SBendtrans-69.7130.6-178.4-68.7171.6000111.7H148 L149 A153 L160 A163H148-L151 VanDerWaalsContact O-CB 3.22Å; H148-L151 WeakPolarHBondContact O-CB 3.36Å; H148-L151 VanDerWaalsContact O-CG 3.28Å; H148-L151 WeakPolarHBondContact O-CG 3.24Å; H148-L151 PolarHBondContact O-N 3.12Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 3.15Å; L151-A153 PolarHBondContact O-N 2.73Å; L151-L160 HydrophobicContact CB-CD2 4.46Å; L151-A163 HydrophobicContact CD1-CB 3.35Å
152S92.5Very high93.2Very high69 Ų6995.5 Ų95.548%0.48350%0.504SS..  trans-68.3126.9173-173.70000111S150 K154 K155S150-S152 PolarHBondContact O-N 3.23Å; S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 3.14Å; S152-K155 WeakPolarHBondContact O-CB 3.31Å; S152-K155 WeakPolarHBondContact O-CG 3.49Å; S152-K155 PolarHBondContact O-N 3.21Å
153A89.8Confident93.1Very high94 Ų9493 Ų9378%0.77749%0.489SS*.THydrogen-bonded Turntrans-59.91.7170.900000114.9L151L151-A153 PolarHBondContact O-N 2.73Å
154K91.2Very high93Very high198 Ų19893.1 Ų93.186%0.86148%0.481SS*.THydrogen-bonded Turntrans-94.44.9169.8-59.2-175.4-179-178.50113.4S152S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 3.14Å
155K90.8Very high93Very high105 Ų10597 Ų9746%0.45750%0.501SS..SBendtrans-65.1159.3168.1-74.5-96-175.3163.50110.2S152 H159 L160S152-K155 WeakPolarHBondContact O-CB 3.31Å; S152-K155 WeakPolarHBondContact O-CG 3.49Å; S152-K155 PolarHBondContact O-N 3.21Å; K155-H159 HydrophobicContact CD-CB 4.44Å; K155-L160 HydrophobicContact CB-CD2 3.89Å; K155-L160 HydrophobicContact CB-CG 4.03Å; K155-L160 HydrophobicContact CG-CD2 4.49Å
156K92.1Very high92.9Very high154 Ų15499 Ų9967%0.6751%0.509SS*.  trans-66.3141.8170.1-60.7-179.7177.9-179.60110S158 H159 L160K156-S158 PolarHBondContact O-N 3.16Å; K156-H159 PolarHBondContact O-N 3.19Å; K156-L160 PolarHBondContact O-N 3.5Å
157E90.8Very high92.9Very high149 Ų14992.6 Ų92.670%0.69648%0.48SS*.Hα-helixtrans-37.5-49.8173.1-136.573.2-164.200113.4H159 L160 H161E157-H159 VanDerWaalsContact C-N 3.28Å; E157-H159 PolarHBondContact O-N 2.95Å; E157-L160 WeakPolarHBondContact O-CB 3.48Å; E157-L160 PolarHBondContact O-N 3.48Å; E157-H161 PolarHBondContact O-N 3.45Å
158S90.3Very high92.9Very high75 Ų7590.1 Ų90.152%0.52447%0.472SS..Hα-helixtrans-60.4-33.1-176.762.90000114K156 E162K156-S158 PolarHBondContact O-N 3.16Å; S158-E162 VanDerWaalsContact O-CB 3.29Å; S158-E162 WeakPolarHBondContact O-CB 3.46Å; S158-E162 PolarHBondContact O-N 2.88Å
159H90.4Very high93Very high87 Ų8794.5 Ų94.540%0.40349%0.493SS..Hα-helixtrans-85-17.7177.2-72.1-61.1000113.1K155 K156 E157 E162 A163K155-H159 HydrophobicContact CD-CB 4.44Å; K156-H159 PolarHBondContact O-N 3.19Å; E157-H159 VanDerWaalsContact C-N 3.28Å; E157-H159 PolarHBondContact O-N 2.95Å; H159-E162 IonicContact CE1-OE2 3.86Å; H159-E162 IonicContact ND1-OE2 2.83Å; H159-E162 PolarHBondContact ND1-OE2 2.77Å; H159-A163 PolarHBondContact O-N 3.36Å
160L91.4Very high93.1Very high46 Ų4689.1 Ų89.124%0.24147%0.465CS..Hα-helixtrans-76.7-51.1169.5-64174.9000108.5L151 K155 K156 E157 E162 A163 D164L151-L160 HydrophobicContact CB-CD2 4.46Å; K155-L160 HydrophobicContact CB-CD2 3.89Å; K155-L160 HydrophobicContact CB-CG 4.03Å; K155-L160 HydrophobicContact CG-CD2 4.49Å; K156-L160 PolarHBondContact O-N 3.5Å; E157-L160 WeakPolarHBondContact O-CB 3.48Å; E157-L160 PolarHBondContact O-N 3.48Å; L160-E162 VanDerWaalsContact C-N 3.33Å; L160-E162 PolarHBondContact O-N 3.48Å; L160-A163 CarbonylContact O-C 3.48Å; L160-A163 WeakPolarHBondContact O-CA 3.25Å; L160-A163 WeakPolarHBondContact O-CB 3.23Å; L160-A163 PolarHBondContact O-N 2.89Å; L160-D164 VanDerWaalsContact O-CG 3.3Å; L160-D164 PolarHBondContact O-N 3.02Å
161H92.6Very high93.1Very high114 Ų11489.3 Ų89.353%0.52845%0.452SS..Hα-helixtrans-57.6-37.8172.7-86.9-20.1000114.5E157 A163 D164 N165E157-H161 PolarHBondContact O-N 3.45Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.11Å; H161-D164 VanDerWaalsContact CA-OD2 3.3Å; H161-D164 WeakPolarHBondContact CA-OD2 3.48Å; H161-D164 IonicContact CE1-OD2 3.78Å; H161-D164 IonicContact CG-OD2 3Å; H161-D164 IonicContact ND1-OD2 2.7Å; H161-D164 PolarHBondContact ND1-OD2 2.96Å; H161-D164 PolarHBondContact O-N 3.07Å; H161-N165 WeakPolarHBondContact O-CB 3.49Å; H161-N165 PolarHBondContact O-N 3.18Å; H161-N165 VanDerWaalsContact O-N 3.07Å; H161-N165 PolarHBondContact O-ND2 3.35Å
162E92.8Very high93.2Very high125 Ų12592.2 Ų92.258%0.58446%0.464SS*.Hα-helixtrans-59.4-38.5171.7-176.3-179.5-162.400111.9S158 H159 L160 Q166S158-E162 VanDerWaalsContact O-CB 3.29Å; S158-E162 WeakPolarHBondContact O-CB 3.46Å; S158-E162 PolarHBondContact O-N 2.88Å; H159-E162 IonicContact CE1-OE2 3.86Å; H159-E162 IonicContact ND1-OE2 2.83Å; H159-E162 PolarHBondContact ND1-OE2 2.77Å; L160-E162 VanDerWaalsContact C-N 3.33Å; L160-E162 PolarHBondContact O-N 3.48Å; E162-Q166 WeakPolarHBondContact O-CB 3.33Å; E162-Q166 PolarHBondContact O-N 3.23Å; E162-Q166 VanDerWaalsContact O-N 3.14Å
163A93.4Very high93.4Very high14 Ų1491.6 Ų91.612%0.11645%0.454CS..Hα-helixtrans-80-31.4178.600000113.7H148 L151 H159 L160 H161 Q166 V167H148-A163 PolarHBondContact ND1-O 2.95Å; L151-A163 HydrophobicContact CD1-CB 3.35Å; H159-A163 PolarHBondContact O-N 3.36Å; L160-A163 CarbonylContact O-C 3.48Å; L160-A163 WeakPolarHBondContact O-CA 3.25Å; L160-A163 WeakPolarHBondContact O-CB 3.23Å; L160-A163 PolarHBondContact O-N 2.89Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.11Å; A163-Q166 PolarHBondContact O-N 3.3Å; A163-V167 WeakPolarHBondContact O-CG2 3.25Å; A163-V167 PolarHBondContact O-N 3.06Å
164D95.2Very high93.7Very high57 Ų5787.2 Ų87.231%0.30542%0.417SS..Hα-helixtrans-58.7-56.8170.4-61.5-34.7000109.2H148 L160 H161 Q166 V167 D168H148-D164 IonicContact CE1-OD1 2.74Å; H148-D164 PolarHBondContact CE1-OD1 2.94Å; L160-D164 VanDerWaalsContact O-CG 3.3Å; L160-D164 PolarHBondContact O-N 3.02Å; H161-D164 VanDerWaalsContact CA-OD2 3.3Å; H161-D164 WeakPolarHBondContact CA-OD2 3.48Å; H161-D164 IonicContact CE1-OD2 3.78Å; H161-D164 IonicContact CG-OD2 3Å; H161-D164 IonicContact ND1-OD2 2.7Å; H161-D164 PolarHBondContact ND1-OD2 2.96Å; H161-D164 PolarHBondContact O-N 3.07Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 2.96Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 VanDerWaalsContact O-N 3.08Å; D164-D168 PolarHBondContact O-N 2.83Å
165N95Very high93.9Very high110 Ų11079.7 Ų79.759%0.58838%0.383SS*.Hα-helixtrans-59.9-35.8179.6-74.3-66.6000112.3H161 H169H161-N165 WeakPolarHBondContact O-CB 3.49Å; H161-N165 PolarHBondContact O-N 3.18Å; H161-N165 VanDerWaalsContact O-N 3.07Å; H161-N165 PolarHBondContact O-ND2 3.35Å; N165-H169 WeakPolarHBondContact O-CB 3.14Å; N165-H169 PolarHBondContact O-N 2.95Å
166Q94.6Very high94.2Very high95 Ų9578.6 Ų78.644%0.44438%0.38SS..Hα-helixtrans-67-40.7175.1175160.692.200112.4V144 E162 A163 D164 V170V144-Q166 HydrophobicContact CG1-CG 4.05Å; E162-Q166 WeakPolarHBondContact O-CB 3.33Å; E162-Q166 PolarHBondContact O-N 3.23Å; E162-Q166 VanDerWaalsContact O-N 3.14Å; A163-Q166 PolarHBondContact O-N 3.3Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 2.96Å; Q166-V170 WeakPolarHBondContact O-CG2 3.31Å; Q166-V170 PolarHBondContact O-N 3.1Å
167V95.8Very high94.5Very high12 Ų1271.3 Ų71.37%0.07335%0.348CS..Hα-helixtrans-66.1-47.5173.6168.40000110.5V144 L145 H148 A163 D164 H169 V170 R171V144-V167 HydrophobicContact CG1-CG2 4.09Å; L145-V167 HydrophobicContact CD1-CG1 4.14Å; H148-V167 HydrophobicContact CB-CG2 3.36Å; H148-V167 VanDerWaalsContact CG-CG2 3.45Å; A163-V167 WeakPolarHBondContact O-CG2 3.25Å; A163-V167 PolarHBondContact O-N 3.06Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 VanDerWaalsContact O-N 3.08Å; V167-H169 PolarHBondContact O-N 2.93Å; V167-V170 PolarHBondContact O-N 2.97Å; V167-R171 WeakPolarHBondContact O-CB 3.34Å; V167-R171 PolarHBondContact O-N 3.18Å
168D95.6Very high94.8Very high72 Ų7264.2 Ų64.239%0.38532%0.315SS..Hα-helixtrans-62.2-41.5-176.6-85.1-15.5000113.1D164 R171 Q172D164-D168 PolarHBondContact O-N 2.83Å; D168-R171 PolarHBondContact O-N 2.94Å; D168-R171 IonicContact OD1-CZ 3.39Å; D168-R171 VanDerWaalsContact OD1-CZ 3.26Å; D168-R171 IonicContact OD1-NE 2.61Å; D168-R171 PolarHBondContact OD1-NE 3.04Å; D168-R171 VanDerWaalsContact OD1-NE 3.1Å; D168-R171 IonicContact OD1-NH2 2.63Å; D168-R171 PolarHBondContact OD1-NH2 3.12Å; D168-Q172 WeakPolarHBondContact O-CB 3.33Å; D168-Q172 PolarHBondContact O-N 2.72Å
169H95.8Very high95.2Very high138 Ų13862.8 Ų62.864%0.63930%0.301SS*.Hα-helixtrans-64.1-41.9175.5-177.259.9000112.5N165 V167 H173N165-H169 WeakPolarHBondContact O-CB 3.14Å; N165-H169 PolarHBondContact O-N 2.95Å; V167-H169 PolarHBondContact O-N 2.93Å; H169-H173 PolarHBondContact O-N 2.93Å; H169-H173 VanDerWaalsContact O-N 3.16Å
170V96.1Very high95.5Very high14 Ų1463.1 Ų63.19%0.08530%0.303CS..Hα-helixtrans-71.5-35.4177.5177.20000111.4K140 Y141 V144 Q166 V167 H173 F174K140-V170 HydrophobicContact CD-CG1 4.29Å; K140-V170 HydrophobicContact CG-CG1 4.3Å; Y141-V170 HydrophobicContact CD2-CG1 4.24Å; V144-V170 HydrophobicContact CG1-CG2 4.39Å; Q166-V170 WeakPolarHBondContact O-CG2 3.31Å; Q166-V170 PolarHBondContact O-N 3.1Å; V167-V170 PolarHBondContact O-N 2.97Å; V170-H173 PolarHBondContact O-N 2.68Å; V170-F174 WeakPolarHBondContact O-CB 3.35Å; V170-F174 PolarHBondContact O-N 2.99Å
171R95.3Very high95.8Very high95 Ų9561.1 Ų61.136%0.35829%0.292SS..Hα-helixtrans-63.2-48175.3179.6165.170134-5.2111.6Y141 V167 D168 H173 F174 Y175Y141-R171 HydrophobicContact CD2-CB 4.26Å; Y141-R171 HydrophobicContact CE2-CB 3.65Å; Y141-R171 HydrophobicContact CE2-CG 3.99Å; Y141-R171 WeakPolarHBondContact OH-CD 3.43Å; V167-R171 WeakPolarHBondContact O-CB 3.34Å; V167-R171 PolarHBondContact O-N 3.18Å; D168-R171 PolarHBondContact O-N 2.94Å; D168-R171 IonicContact OD1-CZ 3.39Å; D168-R171 VanDerWaalsContact OD1-CZ 3.26Å; D168-R171 IonicContact OD1-NE 2.61Å; D168-R171 PolarHBondContact OD1-NE 3.04Å; D168-R171 VanDerWaalsContact OD1-NE 3.1Å; D168-R171 IonicContact OD1-NH2 2.63Å; D168-R171 PolarHBondContact OD1-NH2 3.12Å; R171-H173 PolarHBondContact O-N 3.44Å; R171-F174 PolarHBondContact O-N 2.82Å; R171-Y175 HydrophobicContact CG-CD2 4.14Å; R171-Y175 HydrophobicContact CG-CE2 3.48Å; R171-Y175 VanDerWaalsContact CG-CE2 3.48Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 2.63Å
172Q95.6Very high96Very high114 Ų11455.7 Ų55.753%0.53327%0.267SS..Hα-helixtrans-58.9-47.9175.1-174.9-174.2-36.700110.8D168 F174 Y175 E176D168-Q172 WeakPolarHBondContact O-CB 3.33Å; D168-Q172 PolarHBondContact O-N 2.72Å; Q172-F174 VanDerWaalsContact C-N 3.33Å; Q172-F174 PolarHBondContact O-N 3.38Å; Q172-Y175 WeakPolarHBondContact O-CB 3.19Å; Q172-Y175 PolarHBondContact O-N 2.8Å; Q172-Y175 VanDerWaalsContact O-N 3.12Å; Q172-E176 PolarHBondContact NE2-OE1 3.41Å; Q172-E176 WeakPolarHBondContact O-CG 3.36Å; Q172-E176 PolarHBondContact O-N 2.74Å
173H96.8Very high96.1Very high56 Ų5655.1 Ų55.126%0.25926%0.263SS..Hα-helixtrans-66-35.4-179.6-166.455.3000113.1E137 H169 V170 R171 Y175 E176 V177E137-H173 IonicContact OE2-CD2 3.89Å; H169-H173 PolarHBondContact O-N 2.93Å; H169-H173 VanDerWaalsContact O-N 3.16Å; V170-H173 PolarHBondContact O-N 2.68Å; R171-H173 PolarHBondContact O-N 3.44Å; H173-Y175 VanDerWaalsContact C-N 3.35Å; H173-E176 IonicContact CE1-OE2 3.44Å; H173-E176 IonicContact CG-OE2 2.73Å; H173-E176 IonicContact ND1-OE2 3.26Å; H173-E176 PolarHBondContact ND1-OE2 2.66Å; H173-E176 PolarHBondContact O-N 3.19Å; H173-V177 WeakPolarHBondContact O-CG2 3.5Å; H173-V177 PolarHBondContact O-N 3.41Å
174F96.9Very high96.2Very high1 Ų156 Ų560%0.00426%0.264CS..Hα-helixtrans-60-43.8170.8164.9-104.5000111.7D14 Y134 T138 Y141 V170 R171 Q172 V177 S178D14-F174 HydrophobicContact CB-CE1 4.35Å; D14-F174 HydrophobicContact CB-CZ 4.39Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.49Å; Y134-F174 HydrophobicContact CD2-CE2 4.28Å; Y134-F174 AromaticContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CZ 4.27Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.32Å; Y141-F174 HydrophobicContact CD1-CB 4.29Å; Y141-F174 AromaticContact CD1-CD1 3.63Å; Y141-F174 HydrophobicContact CD1-CD1 3.63Å; Y141-F174 HydrophobicContact CD1-CD2 4.4Å; Y141-F174 HydrophobicContact CD1-CE1 4.07Å; Y141-F174 AromaticContact CD1-CG 3.82Å; Y141-F174 HydrophobicContact CD1-CG 3.82Å; Y141-F174 AromaticContact CE1-CD1 3.91Å; Y141-F174 HydrophobicContact CE1-CD1 3.91Å; Y141-F174 HydrophobicContact CE1-CE1 4.2Å; Y141-F174 HydrophobicContact CG-CB 4.13Å; Y141-F174 HydrophobicContact CG-CD1 4.31Å; Y141-F174 HydrophobicContact CG-CG 4.15Å; V170-F174 WeakPolarHBondContact O-CB 3.35Å; V170-F174 PolarHBondContact O-N 2.99Å; R171-F174 PolarHBondContact O-N 2.82Å; Q172-F174 VanDerWaalsContact C-N 3.33Å; Q172-F174 PolarHBondContact O-N 3.38Å; F174-V177 PolarHBondContact O-N 2.97Å; F174-S178 VanDerWaalsContact O-CB 3.29Å; F174-S178 WeakPolarHBondContact O-CB 3.38Å; F174-S178 PolarHBondContact O-N 2.92Å
175Y95.7Very high96.3Very high41 Ų4153.6 Ų53.616%0.16125%0.251CS..Hα-helixtrans-64-43.8175.8-62.9-36.1000112.5C11 Y12 R171 Q172 H173 V177 S178 L179C11-Y175 WeakPolarHBondContact O-CD1 3.43Å; Y12-Y175 HydrophobicContact CD1-CD1 4.27Å; Y12-Y175 AromaticContact CD1-CD2 3.72Å; Y12-Y175 HydrophobicContact CD1-CD2 3.72Å; Y12-Y175 HydrophobicContact CD1-CE1 4.4Å; Y12-Y175 AromaticContact CD1-CE2 3.86Å; Y12-Y175 HydrophobicContact CD1-CE2 3.86Å; Y12-Y175 AromaticContact CD1-CG 3.93Å; Y12-Y175 HydrophobicContact CD1-CG 3.93Å; Y12-Y175 AromaticContact CE1-CD2 3.95Å; Y12-Y175 HydrophobicContact CE1-CD2 3.95Å; Y12-Y175 HydrophobicContact CE1-CE2 4.46Å; Y12-Y175 HydrophobicContact CE1-CG 4.18Å; Y12-Y175 VanDerWaalsContact O-CE1 3.31Å; Y12-Y175 WeakPolarHBondContact O-CE1 3.47Å; Y12-Y175 PolarHBondContact O-OH 2.78Å; R171-Y175 HydrophobicContact CG-CD2 4.14Å; R171-Y175 HydrophobicContact CG-CE2 3.48Å; R171-Y175 VanDerWaalsContact CG-CE2 3.48Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 2.63Å; Q172-Y175 WeakPolarHBondContact O-CB 3.19Å; Q172-Y175 PolarHBondContact O-N 2.8Å; Q172-Y175 VanDerWaalsContact O-N 3.12Å; H173-Y175 VanDerWaalsContact C-N 3.35Å; Y175-V177 VanDerWaalsContact C-N 3.34Å; Y175-V177 PolarHBondContact O-N 2.87Å; Y175-S178 WeakPolarHBondContact O-CB 3.41Å; Y175-S178 PolarHBondContact O-N 3.47Å; Y175-L179 VanDerWaalsContact O-CG 3.26Å; Y175-L179 WeakPolarHBondContact O-CG 3.48Å; Y175-L179 PolarHBondContact O-N 2.89Å
176E96.8Very high96.2Very high81 Ų8151.5 Ų51.538%0.37924%0.238SC..Hα-helixtrans-54.1-49.1174.5-70163.5-178.600111.4Q172 H173 L179 E180Q172-E176 PolarHBondContact NE2-OE1 3.41Å; Q172-E176 WeakPolarHBondContact O-CG 3.36Å; Q172-E176 PolarHBondContact O-N 2.74Å; H173-E176 IonicContact CE1-OE2 3.44Å; H173-E176 IonicContact CG-OE2 2.73Å; H173-E176 IonicContact ND1-OE2 3.26Å; H173-E176 PolarHBondContact ND1-OE2 2.66Å; H173-E176 PolarHBondContact O-N 3.19Å; E176-L179 PolarHBondContact O-N 3.16Å; E176-E180 WeakPolarHBondContact O-CG 3.49Å; E176-E180 PolarHBondContact O-N 3.39Å
177V97.7Very high96.1Very high1 Ų149.3 Ų49.31%0.00623%0.228CC..Hα-helixtrans-70.3-32.4179.4176.10000112.7K133 E137 H173 F174 Y175 Y181K133-V177 HydrophobicContact CB-CG1 4.22Å; K133-V177 HydrophobicContact CD-CG1 3.95Å; K133-V177 HydrophobicContact CD-CG2 4.13Å; K133-V177 HydrophobicContact CG-CG1 3.79Å; K133-V177 HydrophobicContact CG-CG2 4.39Å; E137-V177 HydrophobicContact CG-CG2 4.45Å; H173-V177 WeakPolarHBondContact O-CG2 3.5Å; H173-V177 PolarHBondContact O-N 3.41Å; F174-V177 PolarHBondContact O-N 2.97Å; Y175-V177 VanDerWaalsContact C-N 3.34Å; Y175-V177 PolarHBondContact O-N 2.87Å; V177-Y181 WeakPolarHBondContact O-CB 3.46Å; V177-Y181 PolarHBondContact O-N 2.79Å
178S97.5Very high96Very high0 Ų048.9 Ų48.90%023%0.225CC..Hα-helixtrans-64-44.7173.5-167.50000111.4C11 Y134 F174 Y175 Y181 V182C11-S178 WeakPolarHBondContact CB-OG 3.4Å; Y134-S178 WeakPolarHBondContact CE2-OG 3.42Å; F174-S178 VanDerWaalsContact O-CB 3.29Å; F174-S178 WeakPolarHBondContact O-CB 3.38Å; F174-S178 PolarHBondContact O-N 2.92Å; Y175-S178 WeakPolarHBondContact O-CB 3.41Å; Y175-S178 PolarHBondContact O-N 3.47Å; S178-Y181 PolarHBondContact O-N 3.44Å; S178-V182 WeakPolarHBondContact O-CG2 3.43Å; S178-V182 PolarHBondContact O-N 2.98Å
179L97.4Very high95.7Very high46 Ų4646.1 Ų46.124%0.24121%0.21CC..Hα-helixtrans-65.6-46.3176.4-66.5169.5000112F8 C11 Y175 E176 Y181 V182 F183F8-L179 HydrophobicContact CB-CD2 3.71Å; F8-L179 HydrophobicContact CD1-CD2 3.61Å; F8-L179 HydrophobicContact CG-CD2 4.03Å; C11-L179 HydrophobicContact CB-CD2 3.89Å; C11-L179 HydrophobicContact CB-CG 4.36Å; Y175-L179 VanDerWaalsContact O-CG 3.26Å; Y175-L179 WeakPolarHBondContact O-CG 3.48Å; Y175-L179 PolarHBondContact O-N 2.89Å; E176-L179 PolarHBondContact O-N 3.16Å; L179-Y181 VanDerWaalsContact C-N 3.29Å; L179-Y181 PolarHBondContact O-N 3.43Å; L179-V182 PolarHBondContact O-N 3.27Å; L179-F183 VanDerWaalsContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CB 3.39Å; L179-F183 PolarHBondContact O-N 2.92Å
180E96.9Very high95.4Very high94 Ų9445.5 Ų45.544%0.43921%0.208SC..Hα-helixtrans-54.3-45.1172.1-77.3178.7-178.900111.8K133 E176 K184K133-E180 IonicContact NZ-OE1 3.36Å; K133-E180 PolarHBondContact NZ-OE1 2.7Å; K133-E180 IonicContact NZ-OE2 2.67Å; K133-E180 PolarHBondContact NZ-OE2 3.2Å; E176-E180 WeakPolarHBondContact O-CG 3.49Å; E176-E180 PolarHBondContact O-N 3.39Å; E180-K184 PolarHBondContact O-N 2.99Å
181Y97.7Very high95.3Very high4 Ų448.3 Ų48.32%0.01622%0.217CC..Hα-helixtrans-69.9-46.3-176.8178.1-136.6000112L22 E26 A130 K131 Y134 V177 S178 L179 F183 K184 V185L22-Y181 HydrophobicContact CD1-CD1 4.39Å; L22-Y181 HydrophobicContact CD1-CE1 3.91Å; L22-Y181 HydrophobicContact CD2-CD1 4.19Å; L22-Y181 HydrophobicContact CD2-CE1 3.84Å; L22-Y181 HydrophobicContact CG-CE1 4.05Å; E26-Y181 WeakPolarHBondContact CG-OH 3.35Å; E26-Y181 PolarHBondContact OE1-OH 3.36Å; A130-Y181 HydrophobicContact CB-CD2 3.83Å; K131-Y181 HydrophobicContact CB-CD2 4.34Å; K131-Y181 HydrophobicContact CB-CE1 4.36Å; K131-Y181 HydrophobicContact CB-CE2 3.55Å; K131-Y181 WeakPolarHBondContact CB-OH 3.41Å; K131-Y181 HydrophobicContact CG-CE1 4.37Å; K131-Y181 HydrophobicContact CG-CE2 4.37Å; Y134-Y181 AromaticContact CD1-CD1 3.31Å; Y134-Y181 HydrophobicContact CD1-CD1 3.31Å; Y134-Y181 AromaticContact CD1-CE1 3.51Å; Y134-Y181 HydrophobicContact CD1-CE1 3.51Å; Y134-Y181 HydrophobicContact CD1-CG 4.37Å; Y134-Y181 HydrophobicContact CD2-CD1 4.1Å; Y134-Y181 AromaticContact CE1-CD1 3.78Å; Y134-Y181 HydrophobicContact CE1-CD1 3.78Å; Y134-Y181 AromaticContact CE1-CE1 3.86Å; Y134-Y181 HydrophobicContact CE1-CE1 3.86Å; Y134-Y181 AromaticContact CG-CD1 3.45Å; Y134-Y181 HydrophobicContact CG-CD1 3.45Å; Y134-Y181 VanDerWaalsContact CG-CD1 3.45Å; Y134-Y181 HydrophobicContact CG-CE1 4.12Å; Y134-Y181 HydrophobicContact CG-CG 4.15Å; V177-Y181 WeakPolarHBondContact O-CB 3.46Å; V177-Y181 PolarHBondContact O-N 2.79Å; S178-Y181 PolarHBondContact O-N 3.44Å; L179-Y181 VanDerWaalsContact C-N 3.29Å; L179-Y181 PolarHBondContact O-N 3.43Å; Y181-F183 VanDerWaalsContact C-N 3.32Å; Y181-F183 PolarHBondContact O-N 3.02Å; Y181-K184 PolarHBondContact O-N 3.47Å; Y181-V185 HydrophobicContact CD2-CG2 3.85Å; Y181-V185 HydrophobicContact CE2-CG2 3.38Å; Y181-V185 WeakPolarHBondContact O-CG2 3.37Å; Y181-V185 PolarHBondContact O-N 3.2Å
182V97Very high95Very high0 Ų046.2 Ų46.20%021%0.21CC..Hα-helixtrans-60.1-43.1175.21680000111.2L6 F8 F18 L22 S178 L179 K184 V185 Q186L6-V182 HydrophobicContact CB-CG1 3.66Å; L6-V182 HydrophobicContact CD1-CG1 4.34Å; F8-V182 HydrophobicContact CD1-CB 4.41Å; F8-V182 HydrophobicContact CD1-CG1 4.01Å; F8-V182 HydrophobicContact CE1-CB 4.21Å; F8-V182 HydrophobicContact CE1-CG1 3.84Å; F18-V182 HydrophobicContact CE2-CG2 3.89Å; F18-V182 HydrophobicContact CZ-CG2 3.71Å; L22-V182 HydrophobicContact CD1-CG2 4.36Å; S178-V182 WeakPolarHBondContact O-CG2 3.43Å; S178-V182 PolarHBondContact O-N 2.98Å; L179-V182 PolarHBondContact O-N 3.27Å; V182-K184 PolarHBondContact O-N 2.81Å; V182-V185 PolarHBondContact O-N 3.2Å; V182-Q186 WeakPolarHBondContact O-CG 3.45Å; V182-Q186 PolarHBondContact O-N 3.48Å
183F95.8Very high94.6Very high113 Ų11346 Ų4650%0.49621%0.211SC..Hα-helixtrans-57.3-48.8173.6172.2-96.3000111.4F8 L179 Y181 V185 Q186 E187F8-F183 HydrophobicContact CE1-CB 4.04Å; F8-F183 HydrophobicContact CZ-CB 4.07Å; F8-F183 HydrophobicContact CZ-CD2 4.41Å; L179-F183 VanDerWaalsContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CB 3.39Å; L179-F183 PolarHBondContact O-N 2.92Å; Y181-F183 VanDerWaalsContact C-N 3.32Å; Y181-F183 PolarHBondContact O-N 3.02Å; F183-V185 VanDerWaalsContact C-N 3.34Å; F183-V185 PolarHBondContact O-N 2.66Å; F183-Q186 PolarHBondContact O-N 3.42Å; F183-E187 PolarHBondContact O-N 2.84Å
184K96Very high94.4Very high33 Ų3347.8 Ų47.814%0.14322%0.218CC..Hα-helixtrans-69.1-30.3-178.4-166.850.8167.5172.80112.9A127 A130 E180 Y181 V182 E187 V188A127-K184 HydrophobicContact CB-CG 4.33Å; A130-K184 HydrophobicContact CB-CB 4.34Å; A130-K184 HydrophobicContact CB-CG 4.45Å; E180-K184 PolarHBondContact O-N 2.99Å; Y181-K184 PolarHBondContact O-N 3.47Å; V182-K184 PolarHBondContact O-N 2.81Å; K184-E187 HydrophobicContact CD-CB 4.32Å; K184-E187 WeakPolarHBondContact CD-OE2 3.18Å; K184-E187 WeakPolarHBondContact CE-OE2 3.33Å; K184-E187 IonicContact NZ-OE1 2.68Å; K184-E187 PolarHBondContact NZ-OE1 3.1Å; K184-E187 IonicContact NZ-OE2 2.66Å; K184-E187 PolarHBondContact NZ-OE2 3.33Å; K184-V188 HydrophobicContact CD-CG2 4.36Å; K184-V188 WeakPolarHBondContact O-CG2 3.49Å; K184-V188 PolarHBondContact O-N 3.03Å
185V95.6Very high94.1Very high5 Ų549.5 Ų49.53%0.0323%0.227CC..Hα-helixtrans-64.4-48.5170.8170.60000110.5L6 H25 Y181 V182 F183 V188 Q189L6-V185 HydrophobicContact CD1-CB 4.45Å; L6-V185 HydrophobicContact CD1-CG1 3.89Å; H25-V185 HydrophobicContact CB-CG1 3.73Å; Y181-V185 HydrophobicContact CD2-CG2 3.85Å; Y181-V185 HydrophobicContact CE2-CG2 3.38Å; Y181-V185 WeakPolarHBondContact O-CG2 3.37Å; Y181-V185 PolarHBondContact O-N 3.2Å; V182-V185 PolarHBondContact O-N 3.2Å; F183-V185 VanDerWaalsContact C-N 3.34Å; F183-V185 PolarHBondContact O-N 2.66Å; V185-V188 PolarHBondContact O-N 2.94Å; V185-Q189 VanDerWaalsContact O-CG 3.25Å; V185-Q189 WeakPolarHBondContact O-CG 2.88Å; V185-Q189 PolarHBondContact O-N 3.44Å; V185-Q189 VanDerWaalsContact O-N 3.12Å
186Q93.4Very high93.7Very high66 Ų6649.3 Ų49.331%0.30823%0.227SC..Hα-helixtrans-60.1-47.1176-69.3177.98.300111.9L6 V182 F183 V188 Q189 E190L6-Q186 PolarHBondContact O-NE2 2.85Å; V182-Q186 WeakPolarHBondContact O-CG 3.45Å; V182-Q186 PolarHBondContact O-N 3.48Å; F183-Q186 PolarHBondContact O-N 3.42Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 3.48Å; Q186-Q189 PolarHBondContact O-N 3.02Å; Q186-E190 PolarHBondContact O-N 3.26Å
187E93.2Very high93.4Very high49 Ų4948.9 Ų48.923%0.22923%0.23CC..Hα-helixtrans-54.2-46-179.6-166.5-155.1140.600111.2Q123 F183 K184 E190 R191Q123-E187 PolarHBondContact OE1-OE1 3.21Å; F183-E187 PolarHBondContact O-N 2.84Å; K184-E187 HydrophobicContact CD-CB 4.32Å; K184-E187 WeakPolarHBondContact CD-OE2 3.18Å; K184-E187 WeakPolarHBondContact CE-OE2 3.33Å; K184-E187 IonicContact NZ-OE1 2.68Å; K184-E187 PolarHBondContact NZ-OE1 3.1Å; K184-E187 IonicContact NZ-OE2 2.66Å; K184-E187 PolarHBondContact NZ-OE2 3.33Å; E187-E190 PolarHBondContact O-N 2.97Å; E187-R191 HydrophobicContact CG-CG 4.31Å; E187-R191 VanDerWaalsContact O-CB 3.24Å; E187-R191 WeakPolarHBondContact O-CB 3.36Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.94Å; E187-R191 VanDerWaalsContact OE1-CD 3.32Å; E187-R191 WeakPolarHBondContact OE1-CD 3.39Å; E187-R191 IonicContact OE1-NH1 2.68Å
188V93.6Very high93.3Very high3 Ų354.5 Ų54.52%0.01826%0.256CS..Hα-helixtrans-73.1-29.4179.8-175.50000112.3L29 F119 Q123 I124 A127 K184 V185 Q186 K192L29-V188 HydrophobicContact CD1-CB 4.36Å; L29-V188 HydrophobicContact CD1-CG1 3.65Å; F119-V188 HydrophobicContact CE2-CG1 4.42Å; F119-V188 HydrophobicContact CZ-CG1 3.86Å; Q123-V188 HydrophobicContact CB-CG1 4.14Å; Q123-V188 HydrophobicContact CB-CG2 3.98Å; Q123-V188 WeakPolarHBondContact O-CG2 3.36Å; I124-V188 HydrophobicContact CG1-CG1 4.35Å; A127-V188 HydrophobicContact CB-CG2 4.12Å; K184-V188 HydrophobicContact CD-CG2 4.36Å; K184-V188 WeakPolarHBondContact O-CG2 3.49Å; K184-V188 PolarHBondContact O-N 3.03Å; V185-V188 PolarHBondContact O-N 2.94Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 3.48Å; V188-K192 PolarHBondContact O-N 2.9Å
189Q89.3Confident93.2Very high15 Ų1554.9 Ų54.97%0.0726%0.258CS..Hα-helixtrans-68.8-34.4174.3-68.3-72.8700112.7V185 Q186 K192V185-Q189 VanDerWaalsContact O-CG 3.25Å; V185-Q189 WeakPolarHBondContact O-CG 2.88Å; V185-Q189 PolarHBondContact O-N 3.44Å; V185-Q189 VanDerWaalsContact O-N 3.12Å; Q186-Q189 PolarHBondContact O-N 3.02Å; Q189-K192 WeakPolarHBondContact O-CD 3.22Å; Q189-K192 WeakPolarHBondContact O-CE 3.37Å; Q189-K192 VanDerWaalsContact O-CG 3.28Å; Q189-K192 WeakPolarHBondContact O-CG 3.2Å
190E90.3Very high93Very high125 Ų12555 Ų5558%0.58426%0.259SS*.Hα-helixtrans-81.2-44.6174.9-65.7-52.4125.800111.8Q186 E187 K192 M193Q186-E190 PolarHBondContact O-N 3.26Å; E187-E190 PolarHBondContact O-N 2.97Å; E190-K192 PolarHBondContact O-N 2.9Å; E190-M193 VanDerWaalsContact O-CB 3.32Å; E190-M193 WeakPolarHBondContact O-CB 3.48Å; E190-M193 WeakPolarHBondContact O-CG 3.42Å; E190-M193 PolarHBondContact O-N 3.32Å
191R92.1Very high92.9Very high72 Ų7255.9 Ų55.927%0.27227%0.266SS..Hα-helixtrans-57.4-33.5179-76.5-172.268.7134.614.9113.5F119 E187 M193 F194 D195F119-R191 HydrophobicContact CE2-CB 4.04Å; E187-R191 HydrophobicContact CG-CG 4.31Å; E187-R191 VanDerWaalsContact O-CB 3.24Å; E187-R191 WeakPolarHBondContact O-CB 3.36Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.94Å; E187-R191 VanDerWaalsContact OE1-CD 3.32Å; E187-R191 WeakPolarHBondContact OE1-CD 3.39Å; E187-R191 IonicContact OE1-NH1 2.68Å; R191-M193 PolarHBondContact O-N 3.45Å; R191-F194 HydrophobicContact CB-CE1 4.49Å; R191-F194 HydrophobicContact CB-CZ 4.25Å; R191-F194 HydrophobicContact CG-CE1 4.33Å; R191-F194 HydrophobicContact CG-CZ 3.84Å; R191-F194 PolarHBondContact O-N 2.66Å; R191-D195 IonicContact CZ-OD2 2.63Å; R191-D195 IonicContact NE-OD2 3.58Å; R191-D195 PolarHBondContact NE-OD2 2.97Å; R191-D195 IonicContact NH2-OD1 2.64Å; R191-D195 PolarHBondContact NH2-OD1 3.38Å; R191-D195 IonicContact NH2-OD2 2.94Å; R191-D195 PolarHBondContact NH2-OD2 3.02Å; R191-D195 WeakPolarHBondContact O-CB 3.35Å; R191-D195 PolarHBondContact O-N 3.46Å
192K88.9Confident92.7Very high52 Ų5257.7 Ų57.723%0.22628%0.282CS..THydrogen-bonded Turntrans-59.2-18.7175.590.4-165174-175.70113.3F119 V188 Q189 E190 F194 F196F119-K192 HydrophobicContact CE1-CB 4.37Å; F119-K192 HydrophobicContact CE2-CB 4.4Å; F119-K192 HydrophobicContact CZ-CB 3.7Å; V188-K192 PolarHBondContact O-N 2.9Å; Q189-K192 WeakPolarHBondContact O-CD 3.22Å; Q189-K192 WeakPolarHBondContact O-CE 3.37Å; Q189-K192 VanDerWaalsContact O-CG 3.28Å; Q189-K192 WeakPolarHBondContact O-CG 3.2Å; E190-K192 PolarHBondContact O-N 2.9Å; K192-F194 VanDerWaalsContact C-N 3.33Å; K192-F196 WeakPolarHBondContact O-CB 3.42Å
193M88.3Confident92.6Very high110 Ų11058.6 Ų58.654%0.54229%0.286SS..THydrogen-bonded Turntrans-75.8-23.4-178.1-55.8-55.9-166.700112.4E190 R191 V197E190-M193 VanDerWaalsContact O-CB 3.32Å; E190-M193 WeakPolarHBondContact O-CB 3.48Å; E190-M193 WeakPolarHBondContact O-CG 3.42Å; E190-M193 PolarHBondContact O-N 3.32Å; R191-M193 PolarHBondContact O-N 3.45Å; M193-V197 VanDerWaalsContact O-CG2 3.25Å; M193-V197 WeakPolarHBondContact O-CG2 3.39Å
194F92.2Very high92.5Very high93 Ų9357 Ų5741%0.40828%0.282SS..THydrogen-bonded Turntrans-118.8-51.117858.6-93.2000113R191 K192 F196 V197 E198R191-F194 HydrophobicContact CB-CE1 4.49Å; R191-F194 HydrophobicContact CB-CZ 4.25Å; R191-F194 HydrophobicContact CG-CE1 4.33Å; R191-F194 HydrophobicContact CG-CZ 3.84Å; R191-F194 PolarHBondContact O-N 2.66Å; K192-F194 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 3.48Å; F194-V197 PolarHBondContact O-N 3.21Å; F194-E198 WeakPolarHBondContact O-CG 3.44Å; F194-E198 PolarHBondContact O-N 3.09Å
195D91.7Very high92.5Very high36 Ų3660.8 Ų60.819%0.19330%0.3CS..THydrogen-bonded Turntrans-57.5-21-178.1-78.4-29.9000113.4F119 R191 P199F119-D195 HydrophobicContact CD2-CB 3.47Å; F119-D195 VanDerWaalsContact CD2-CB 3.47Å; F119-D195 HydrophobicContact CE2-CB 4.01Å; F119-D195 HydrophobicContact CG-CB 4.26Å; R191-D195 IonicContact CZ-OD2 2.63Å; R191-D195 IonicContact NE-OD2 3.58Å; R191-D195 PolarHBondContact NE-OD2 2.97Å; R191-D195 IonicContact NH2-OD1 2.64Å; R191-D195 PolarHBondContact NH2-OD1 3.38Å; R191-D195 IonicContact NH2-OD2 2.94Å; R191-D195 PolarHBondContact NH2-OD2 3.02Å; R191-D195 WeakPolarHBondContact O-CB 3.35Å; R191-D195 PolarHBondContact O-N 3.46Å; D195-P199 WeakPolarHBondContact O-CD 3.42Å; D195-P199 VanDerWaalsContact O-CG 3.32Å; D195-P199 WeakPolarHBondContact O-CG 3.44Å
196F87.3Confident92.4Very high37 Ų3761.5 Ų61.516%0.16231%0.309CS..THydrogen-bonded Turntrans-99.2-30.4176.3176.3-97.7000113.6F35 I36 L39 L116 K192 F194 L200F35-F196 HydrophobicContact CD1-CZ 4.37Å; F35-F196 AromaticContact CE1-CZ 3.85Å; F35-F196 HydrophobicContact CE1-CZ 3.85Å; I36-F196 HydrophobicContact CD1-CD2 3.84Å; I36-F196 HydrophobicContact CD1-CE2 4.25Å; I36-F196 HydrophobicContact CG1-CD2 3.84Å; I36-F196 HydrophobicContact CG1-CE2 3.72Å; L39-F196 HydrophobicContact CD2-CE2 3.62Å; L39-F196 HydrophobicContact CD2-CZ 3.57Å; L116-F196 HydrophobicContact CD2-CD2 3.34Å; L116-F196 HydrophobicContact CD2-CE2 3.71Å; L116-F196 HydrophobicContact CD2-CG 4.27Å; K192-F196 WeakPolarHBondContact O-CB 3.42Å; F194-F196 PolarHBondContact O-N 3.48Å; F196-L200 HydrophobicContact CD1-CD1 4.18Å; F196-L200 HydrophobicContact CE1-CD1 3.59Å; F196-L200 HydrophobicContact CE2-CD1 4.42Å; F196-L200 HydrophobicContact CZ-CD1 3.71Å
197V89.4Confident92.4Very high73 Ų7359.9 Ų59.944%0.44230%0.302SS..Hα-helixtrans-89.1-38.8-172.9-179.50000111.6M193 F194 L200 L201M193-V197 VanDerWaalsContact O-CG2 3.25Å; M193-V197 WeakPolarHBondContact O-CG2 3.39Å; F194-V197 PolarHBondContact O-N 3.21Å; V197-L200 PolarHBondContact O-N 3.02Å; V197-L201 PolarHBondContact O-N 3.35Å
198E94.9Very high92.5Very high119 Ų11963.5 Ų63.556%0.55632%0.317SS*.Hα-helixtrans-58.4-43.4176.6-66.2176.6175.500112.9F194 L200 L201 A202F194-E198 WeakPolarHBondContact O-CG 3.44Å; F194-E198 PolarHBondContact O-N 3.09Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.18Å; E198-L201 PolarHBondContact O-N 2.86Å; E198-A202 WeakPolarHBondContact O-CB 3.4Å; E198-A202 PolarHBondContact O-N 3.25Å
199P95.5Very high92.5Very high8 Ų866.1 Ų66.15%0.05233%0.333CS..Hα-helixtrans-57.9-38.8173.7-28.938.5000114.2V111 L112 P115 L116 D195 F203V111-P199 VanDerWaalsContact O-CA 3.23Å; V111-P199 WeakPolarHBondContact O-CA 3.44Å; V111-P199 VanDerWaalsContact O-CB 3.25Å; V111-P199 WeakPolarHBondContact O-CB 3.45Å; L112-P199 HydrophobicContact CD1-CB 4.17Å; P115-P199 HydrophobicContact CB-CB 4.12Å; P115-P199 HydrophobicContact CB-CG 3.54Å; P115-P199 HydrophobicContact CG-CG 4.33Å; L116-P199 HydrophobicContact CG-CB 4.38Å; D195-P199 WeakPolarHBondContact O-CD 3.42Å; D195-P199 VanDerWaalsContact O-CG 3.32Å; D195-P199 WeakPolarHBondContact O-CG 3.44Å; P199-F203 WeakPolarHBondContact O-CB 3.49Å; P199-F203 PolarHBondContact O-N 2.74Å; P199-F203 VanDerWaalsContact O-N 3.12Å
200L93.3Very high92.8Very high49 Ų4966.5 Ų66.526%0.25733%0.334SS..Hα-helixtrans-71.7-41.3178.5-71.7166.9000111.4L39 L112 F196 V197 E198 F203 L204L39-L200 HydrophobicContact CD2-CD2 4.38Å; L112-L200 HydrophobicContact CD1-CD2 3.71Å; L112-L200 HydrophobicContact CD1-CG 4.17Å; F196-L200 HydrophobicContact CD1-CD1 4.18Å; F196-L200 HydrophobicContact CE1-CD1 3.59Å; F196-L200 HydrophobicContact CE2-CD1 4.42Å; F196-L200 HydrophobicContact CZ-CD1 3.71Å; V197-L200 PolarHBondContact O-N 3.02Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.18Å; L200-F203 PolarHBondContact O-N 3.47Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.48Å
201L94.6Very high93Very high111 Ų11167.7 Ų67.758%0.58133%0.334SS*.Hα-helixtrans-64.2-43.8175.8-178.660.1000111.6V197 E198 F203 L204 Q205V197-L201 PolarHBondContact O-N 3.35Å; E198-L201 PolarHBondContact O-N 2.86Å; L201-F203 PolarHBondContact O-N 3.04Å; L201-L204 PolarHBondContact O-N 3.47Å; L201-Q205 WeakPolarHBondContact O-CB 3.48Å; L201-Q205 PolarHBondContact O-N 3.45Å
202A94.8Very high93.2Very high42 Ų4269.4 Ų69.435%0.34735%0.345SS..Hα-helixtrans-62.2-40.7176.700000112.3V111 E198 Q205 G206V111-A202 HydrophobicContact CB-CB 3.99Å; V111-A202 HydrophobicContact CG2-CB 4.31Å; E198-A202 WeakPolarHBondContact O-CB 3.4Å; E198-A202 PolarHBondContact O-N 3.25Å; A202-Q205 PolarHBondContact O-N 3.25Å; A202-G206 PolarHBondContact O-N 3.27Å
203F94.6Very high93.5Very high19 Ų1971 Ų718%0.08335%0.353CS..Hα-helixtrans-65.8-42.7174.5179-111.2000112.8L46 A108 L112 P199 L200 L201 G206 L207L46-F203 HydrophobicContact CD2-CE1 3.99Å; L46-F203 HydrophobicContact CD2-CZ 3.8Å; A108-F203 HydrophobicContact CB-CD2 3.81Å; A108-F203 HydrophobicContact CB-CE2 3.7Å; L112-F203 HydrophobicContact CB-CB 4.24Å; L112-F203 HydrophobicContact CD1-CB 4.43Å; L112-F203 HydrophobicContact CD2-CB 4.3Å; L112-F203 HydrophobicContact CD2-CD1 4.03Å; L112-F203 HydrophobicContact CD2-CD2 4.22Å; L112-F203 HydrophobicContact CD2-CE1 4.43Å; L112-F203 HydrophobicContact CD2-CG 3.91Å; P199-F203 WeakPolarHBondContact O-CB 3.49Å; P199-F203 PolarHBondContact O-N 2.74Å; P199-F203 VanDerWaalsContact O-N 3.12Å; L200-F203 PolarHBondContact O-N 3.47Å; L201-F203 PolarHBondContact O-N 3.04Å; F203-G206 PolarHBondContact O-N 3.35Å; F203-L207 HydrophobicContact CD1-CD1 3.97Å; F203-L207 HydrophobicContact CE1-CD1 3.51Å; F203-L207 HydrophobicContact CE1-CG 4.36Å; F203-L207 HydrophobicContact CZ-CD1 3.85Å; F203-L207 HydrophobicContact CZ-CG 4.26Å; F203-L207 PolarHBondContact O-N 2.99Å
204L94.5Very high93.8Very high81 Ų8167 Ų6742%0.42434%0.34SS..Hα-helixtrans-63-40.5174.9-73.3169.8000112L200 L201 G206 L207 F208L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.48Å; L201-L204 PolarHBondContact O-N 3.47Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD2-CD1 4.34Å; L204-L207 WeakPolarHBondContact O-CB 3.07Å; L204-L207 PolarHBondContact O-N 3.3Å; L204-F208 HydrophobicContact CB-CE2 4.24Å; L204-F208 WeakPolarHBondContact O-CD2 3.32Å; L204-F208 WeakPolarHBondContact O-CG 3.38Å; L204-F208 PolarHBondContact O-N 3.43Å
205Q94.3Very high94Very high112 Ų11269.6 Ų69.652%0.52335%0.348SS..Hα-helixtrans-61.3-42.2174.1-174.958.746.700111.5L201 A202 L207 F208 T209L201-Q205 WeakPolarHBondContact O-CB 3.48Å; L201-Q205 PolarHBondContact O-N 3.45Å; A202-Q205 PolarHBondContact O-N 3.25Å; Q205-L207 PolarHBondContact O-N 3.4Å; Q205-F208 PolarHBondContact O-N 2.88Å; Q205-T209 PolarHBondContact O-N 2.87Å; Q205-T209 PolarHBondContact O-OG1 2.83Å; Q205-T209 VanDerWaalsContact O-OG1 3.09Å
206G93.7Very high94.2Very high20 Ų2070.7 Ų70.721%0.20635%0.352CS..Hα-helixtrans-59.6-42.8174.100000113.2A202 F203 L204 T209 Y210A202-G206 PolarHBondContact O-N 3.27Å; F203-G206 PolarHBondContact O-N 3.35Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.89Å; G206-T209 PolarHBondContact O-N 2.98Å; G206-Y210 PolarHBondContact O-N 2.78Å
207L93.8Very high94.5Very high31 Ų3170.8 Ų70.816%0.16235%0.354CS..Hα-helixtrans-60.5-46.9173.8-78.7163.8000112M104 F203 L204 Q205 Y210 Y211M104-L207 HydrophobicContact CE-CD2 4.14Å; M104-L207 HydrophobicContact SD-CD2 3.71Å; M104-L207 HydrophobicContact SD-CG 4.16Å; F203-L207 HydrophobicContact CD1-CD1 3.97Å; F203-L207 HydrophobicContact CE1-CD1 3.51Å; F203-L207 HydrophobicContact CE1-CG 4.36Å; F203-L207 HydrophobicContact CZ-CD1 3.85Å; F203-L207 HydrophobicContact CZ-CG 4.26Å; F203-L207 PolarHBondContact O-N 2.99Å; L204-L207 HydrophobicContact CD2-CD1 4.34Å; L204-L207 WeakPolarHBondContact O-CB 3.07Å; L204-L207 PolarHBondContact O-N 3.3Å; Q205-L207 PolarHBondContact O-N 3.4Å; L207-Y210 PolarHBondContact O-N 2.87Å; L207-Y211 HydrophobicContact CD2-CE2 4.47Å; L207-Y211 WeakPolarHBondContact O-CD2 3.3Å; L207-Y211 PolarHBondContact O-N 3.48Å
208F95.1Very high94.7Very high126 Ų12670.1 Ų70.155%0.55336%0.356SS*.Hα-helixtrans-65.7-39.1179.2-60.9-40.4000112.5L204 Q205 Y210 Y211 H212L204-F208 HydrophobicContact CB-CE2 4.24Å; L204-F208 WeakPolarHBondContact O-CD2 3.32Å; L204-F208 WeakPolarHBondContact O-CG 3.38Å; L204-F208 PolarHBondContact O-N 3.43Å; Q205-F208 PolarHBondContact O-N 2.88Å; F208-Y210 VanDerWaalsContact C-N 3.34Å; F208-Y210 PolarHBondContact O-N 2.82Å; F208-Y211 PolarHBondContact O-N 2.97Å; F208-H212 PolarHBondContact O-N 3.36Å
209T94.5Very high94.7Very high58 Ų5869.4 Ų69.436%0.35635%0.351SS..Hα-helixtrans-60.1-42.2172.9-61.90000111.8Q205 G206 H212 H213Q205-T209 PolarHBondContact O-N 2.87Å; Q205-T209 PolarHBondContact O-OG1 2.83Å; Q205-T209 VanDerWaalsContact O-OG1 3.09Å; G206-T209 PolarHBondContact O-N 2.98Å; T209-H212 PolarHBondContact O-N 3.32Å; T209-H213 PolarHBondContact O-N 3.48Å; T209-H213 VanDerWaalsContact O-N 3.13Å; T209-H213 PolarHBondContact O-ND1 2.91Å
210Y94.9Very high94.5Very high23 Ų2374 Ų749%0.0938%0.375CS..Hα-helixtrans-62.8-44.8174.5160.4-94000112.1L97 E100 R101 M104 G206 L207 F208 H212 H213 G214L97-Y210 HydrophobicContact CD1-CE2 3.82Å; L97-Y210 HydrophobicContact CG-CE2 4.39Å; E100-Y210 HydrophobicContact CB-CD2 4.28Å; R101-Y210 HydrophobicContact CB-CD2 4Å; R101-Y210 HydrophobicContact CB-CE2 3.68Å; R101-Y210 HydrophobicContact CG-CE2 4.36Å; R101-Y210 PolarHBondContact NH2-OH 2.84Å; M104-Y210 HydrophobicContact SD-CD1 4.38Å; M104-Y210 HydrophobicContact SD-CG 4.06Å; G206-Y210 PolarHBondContact O-N 2.78Å; L207-Y210 PolarHBondContact O-N 2.87Å; F208-Y210 VanDerWaalsContact C-N 3.34Å; F208-Y210 PolarHBondContact O-N 2.82Å; Y210-H212 VanDerWaalsContact C-N 3.33Å; Y210-H212 PolarHBondContact O-N 2.87Å; Y210-H213 PolarHBondContact O-N 2.83Å; Y210-G214 PolarHBondContact O-N 3.01Å; Y210-G214 VanDerWaalsContact O-N 3.08Å
211Y95.2Very high94.5Very high150 Ų15074.2 Ų74.259%0.58837%0.374SS*.Hα-helixtrans-64.9-35.2177.5-74.7-62.8000112.8L207 F208 G214 Y215L207-Y211 HydrophobicContact CD2-CE2 4.47Å; L207-Y211 WeakPolarHBondContact O-CD2 3.3Å; L207-Y211 PolarHBondContact O-N 3.48Å; F208-Y211 PolarHBondContact O-N 2.97Å; Y211-G214 PolarHBondContact O-N 2.62Å; Y211-Y215 PolarHBondContact O-N 2.97Å; Y211-Y215 VanDerWaalsContact O-N 3.11Å
212H95.4Very high94.4Very high108 Ų10872.3 Ų72.350%0.537%0.365SS..Hα-helixtrans-65.7-44.8175.6-179.831.4000112.3F208 T209 Y210 G214 Y215 E216F208-H212 PolarHBondContact O-N 3.36Å; T209-H212 PolarHBondContact O-N 3.32Å; Y210-H212 VanDerWaalsContact C-N 3.33Å; Y210-H212 PolarHBondContact O-N 2.87Å; H212-G214 VanDerWaalsContact C-N 3.29Å; H212-G214 PolarHBondContact O-N 2.81Å; H212-Y215 WeakPolarHBondContact O-CB 3.47Å; H212-Y215 PolarHBondContact O-N 3.47Å; H212-E216 IonicContact CE1-OE1 2.7Å; H212-E216 PolarHBondContact CE1-OE1 3.4Å; H212-E216 IonicContact ND1-OE1 3.42Å; H212-E216 PolarHBondContact O-N 3.21Å; H212-E216 VanDerWaalsContact O-N 3.08Å
213H94.7Very high94.2Very high85 Ų8577.1 Ų77.139%0.39438%0.38SS..Hα-helixtrans-59.9-39.7173.7-76.581.8000111.9E100 T209 Y210 Y215 E216 L217E100-H213 HydrophobicContact CG-CB 4.15Å; T209-H213 PolarHBondContact O-N 3.48Å; T209-H213 VanDerWaalsContact O-N 3.13Å; T209-H213 PolarHBondContact O-ND1 2.91Å; Y210-H213 PolarHBondContact O-N 2.83Å; H213-Y215 VanDerWaalsContact C-N 3.26Å; H213-Y215 PolarHBondContact O-N 3.38Å; H213-E216 PolarHBondContact O-N 3.13Å; H213-L217 VanDerWaalsContact O-CB 3.29Å; H213-L217 WeakPolarHBondContact O-CB 3.48Å; H213-L217 PolarHBondContact O-N 3.29Å
214G95.4Very high94.1Very high25 Ų2578.4 Ų78.426%0.25839%0.385SS..Hα-helixtrans-64.3-26.4174.700000114.5Y210 Y211 H212 A218Y210-G214 PolarHBondContact O-N 3.01Å; Y210-G214 VanDerWaalsContact O-N 3.08Å; Y211-G214 PolarHBondContact O-N 2.62Å; H212-G214 VanDerWaalsContact C-N 3.29Å; H212-G214 PolarHBondContact O-N 2.81Å; G214-A218 WeakPolarHBondContact O-CB 3.37Å; G214-A218 PolarHBondContact O-N 3.37Å
215Y95.9Very high94Very high148 Ų14879.1 Ų79.158%0.5839%0.385SS*.Hα-helixtrans-77.2-48.6174.1170.3-94.4000112Y211 H212 H213 L217 A218 K219Y211-Y215 PolarHBondContact O-N 2.97Å; Y211-Y215 VanDerWaalsContact O-N 3.11Å; H212-Y215 WeakPolarHBondContact O-CB 3.47Å; H212-Y215 PolarHBondContact O-N 3.47Å; H213-Y215 VanDerWaalsContact C-N 3.26Å; H213-Y215 PolarHBondContact O-N 3.38Å; Y215-L217 PolarHBondContact O-N 2.85Å; Y215-A218 PolarHBondContact O-N 2.91Å; Y215-K219 PolarHBondContact O-N 3.5Å
216E95.8Very high93.8Very high59 Ų5976.8 Ų76.828%0.27638%0.378SS..Hα-helixtrans-62.7-43178.8-62.5-59.4139.500111.3H212 H213 A218 K219 D220H212-E216 IonicContact CE1-OE1 2.7Å; H212-E216 PolarHBondContact CE1-OE1 3.4Å; H212-E216 IonicContact ND1-OE1 3.42Å; H212-E216 PolarHBondContact O-N 3.21Å; H212-E216 VanDerWaalsContact O-N 3.08Å; H213-E216 PolarHBondContact O-N 3.13Å; E216-A218 VanDerWaalsContact C-N 3.3Å; E216-A218 PolarHBondContact O-N 2.59Å; E216-K219 WeakPolarHBondContact O-CB 3.42Å; E216-K219 PolarHBondContact O-N 2.92Å; E216-K219 VanDerWaalsContact O-N 3.09Å; E216-K219 IonicContact OE2-NZ 3.97Å; E216-K219 PolarHBondContact OE2-NZ 3.27Å; E216-D220 PolarHBondContact O-N 3.29Å
217L94.6Very high93.6Very high40 Ų4080 Ų8021%0.20939%0.391CS..Hα-helixtrans-60.3-36.7175.6-177.964.5000112.9V93 N96 L97 H213 Y215 F221V93-L217 HydrophobicContact CG1-CD2 4.17Å; V93-L217 HydrophobicContact CG1-CG 4.22Å; N96-L217 HydrophobicContact CB-CD1 4.46Å; N96-L217 HydrophobicContact CB-CD2 4.03Å; L97-L217 HydrophobicContact CB-CD2 3.97Å; H213-L217 VanDerWaalsContact O-CB 3.29Å; H213-L217 WeakPolarHBondContact O-CB 3.48Å; H213-L217 PolarHBondContact O-N 3.29Å; Y215-L217 PolarHBondContact O-N 2.85Å; L217-F221 VanDerWaalsContact O-CB 3.31Å; L217-F221 WeakPolarHBondContact O-CB 3.07Å; L217-F221 PolarHBondContact O-N 3.43Å
218A93.5Very high93.6Very high58 Ų5878.9 Ų78.948%0.47939%0.385SS..Hα-helixtrans-73-29176.900000113G214 Y215 E216G214-A218 WeakPolarHBondContact O-CB 3.37Å; G214-A218 PolarHBondContact O-N 3.37Å; Y215-A218 PolarHBondContact O-N 2.91Å; E216-A218 VanDerWaalsContact C-N 3.3Å; E216-A218 PolarHBondContact O-N 2.59Å
219K93.8Very high93.3Very high105 Ų10577 Ų7746%0.45738%0.384SS..Hα-helixtrans-72.1-47.8174.3163.3-172146.6-154.50111Y215 E216 F221 N222Y215-K219 PolarHBondContact O-N 3.5Å; E216-K219 WeakPolarHBondContact O-CB 3.42Å; E216-K219 PolarHBondContact O-N 2.92Å; E216-K219 VanDerWaalsContact O-N 3.09Å; E216-K219 IonicContact OE2-NZ 3.97Å; E216-K219 PolarHBondContact OE2-NZ 3.27Å; K219-F221 VanDerWaalsContact C-N 3.32Å; K219-F221 PolarHBondContact O-N 3.47Å; K219-N222 VanDerWaalsContact O-CB 3.27Å; K219-N222 WeakPolarHBondContact O-CB 3.39Å; K219-N222 PolarHBondContact O-N 3.29Å
220D92.3Very high93Very high105 Ų10578.5 Ų78.556%0.56139%0.389SS*.Hα-helixtrans-61.6-41.4178.2-66.3-16.4000111.4E216 N222E216-D220 PolarHBondContact O-N 3.29Å; D220-N222 PolarHBondContact O-N 2.92Å
221F93.9Very high92.7Very high52 Ų5278.1 Ų78.123%0.22839%0.389CS..Hα-helixtrans-62.5-18.3174.6179.2-107.9000114.5F90 V93 L217 K219 H223 F224 K225F90-F221 AromaticContact CD1-CE2 3.98Å; F90-F221 HydrophobicContact CD1-CE2 3.98Å; F90-F221 AromaticContact CD1-CZ 3.73Å; F90-F221 HydrophobicContact CD1-CZ 3.73Å; F90-F221 HydrophobicContact CE1-CE2 4.23Å; F90-F221 AromaticContact CE1-CZ 3.74Å; F90-F221 HydrophobicContact CE1-CZ 3.74Å; V93-F221 HydrophobicContact CG2-CB 4.48Å; V93-F221 HydrophobicContact CG2-CD2 3.64Å; V93-F221 HydrophobicContact CG2-CE2 4.11Å; V93-F221 HydrophobicContact CG2-CG 4.24Å; L217-F221 VanDerWaalsContact O-CB 3.31Å; L217-F221 WeakPolarHBondContact O-CB 3.07Å; L217-F221 PolarHBondContact O-N 3.43Å; K219-F221 VanDerWaalsContact C-N 3.32Å; K219-F221 PolarHBondContact O-N 3.47Å; F221-H223 VanDerWaalsContact C-N 3.27Å; F221-H223 PolarHBondContact O-N 3.18Å; F221-F224 HydrophobicContact CD2-CD1 4.1Å; F221-F224 AromaticContact CE2-CD1 3.58Å; F221-F224 HydrophobicContact CE2-CD1 3.58Å; F221-F224 HydrophobicContact CE2-CE1 4.14Å; F221-F224 HydrophobicContact CZ-CD1 4.27Å; F221-F224 PolarHBondContact O-N 3.19Å; F221-K225 HydrophobicContact CD1-CB 4.24Å; F221-K225 HydrophobicContact CE1-CB 4.02Å; F221-K225 WeakPolarHBondContact O-CB 3.23Å; F221-K225 PolarHBondContact O-N 3.08Å
222N91Very high92.5Very high71 Ų7173.5 Ų73.538%0.3838%0.375SS..Hα-helixtrans-69.1-22.8-173.2-16971000113.6K219 D220 K225 T226K219-N222 VanDerWaalsContact O-CB 3.27Å; K219-N222 WeakPolarHBondContact O-CB 3.39Å; K219-N222 PolarHBondContact O-N 3.29Å; D220-N222 PolarHBondContact O-N 2.92Å; N222-K225 PolarHBondContact OD1-NZ 3.44Å; N222-T226 PolarHBondContact O-N 3.05Å; N222-T226 PolarHBondContact O-OG1 3.29Å
223H90.6Very high92.1Very high143 Ų14372.2 Ų72.266%0.66237%0.369SS*.Hα-helixtrans-65.2-61170.2-75.7-79.3000110.9F221 K225 T226 D227F221-H223 VanDerWaalsContact C-N 3.27Å; F221-H223 PolarHBondContact O-N 3.18Å; H223-K225 VanDerWaalsContact C-N 3.27Å; H223-K225 PolarHBondContact O-N 3.4Å; H223-T226 WeakPolarHBondContact O-CA 3.27Å; H223-T226 VanDerWaalsContact O-CB 3.31Å; H223-T226 WeakPolarHBondContact O-CB 3.47Å; H223-T226 PolarHBondContact O-N 3.46Å; H223-D227 PolarHBondContact O-N 2.85Å
224F93.4Very high91.7Very high47 Ų4769.5 Ų69.521%0.20636%0.357CS..Hα-helixtrans-54.2-41.3177.8175-100.5000112.9E89 F90 F221 T226 D227 L228E89-F224 HydrophobicContact CB-CD1 4.28Å; E89-F224 HydrophobicContact CB-CE1 3.73Å; E89-F224 HydrophobicContact CB-CZ 3.93Å; E89-F224 HydrophobicContact CG-CE1 4.08Å; E89-F224 HydrophobicContact CG-CE2 4.04Å; E89-F224 HydrophobicContact CG-CZ 3.77Å; F90-F224 HydrophobicContact CE1-CE1 4.08Å; F221-F224 HydrophobicContact CD2-CD1 4.1Å; F221-F224 AromaticContact CE2-CD1 3.58Å; F221-F224 HydrophobicContact CE2-CD1 3.58Å; F221-F224 HydrophobicContact CE2-CE1 4.14Å; F221-F224 HydrophobicContact CZ-CD1 4.27Å; F221-F224 PolarHBondContact O-N 3.19Å; F224-T226 VanDerWaalsContact C-N 3.27Å; F224-T226 PolarHBondContact O-N 3.32Å; F224-D227 PolarHBondContact O-N 3.4Å; F224-L228 HydrophobicContact CE1-CB 4.36Å; F224-L228 HydrophobicContact CE1-CD2 3.81Å; F224-L228 HydrophobicContact CZ-CB 4.26Å; F224-L228 HydrophobicContact CZ-CD2 4.02Å; F224-L228 WeakPolarHBondContact O-CB 3.39Å; F224-L228 PolarHBondContact O-N 3.12Å
225K91.9Very high91.3Very high95 Ų9570.1 Ų70.141%0.41336%0.356SS..Hα-helixtrans-55.9-40.1173.2173.2-169.4151.5-148.70112.5F221 N222 H223 T229F221-K225 HydrophobicContact CD1-CB 4.24Å; F221-K225 HydrophobicContact CE1-CB 4.02Å; F221-K225 WeakPolarHBondContact O-CB 3.23Å; F221-K225 PolarHBondContact O-N 3.08Å; N222-K225 PolarHBondContact OD1-NZ 3.44Å; H223-K225 VanDerWaalsContact C-N 3.27Å; H223-K225 PolarHBondContact O-N 3.4Å; K225-T229 WeakPolarHBondContact O-CB 3.22Å; K225-T229 PolarHBondContact O-N 2.94Å; K225-T229 VanDerWaalsContact O-N 3.1Å; K225-T229 PolarHBondContact O-OG1 3.27Å
226T90.9Very high91Very high63 Ų6369.6 Ų69.639%0.38735%0.353SS..Hα-helixtrans-70.2-49.7-179.9-56.70000110.2N222 H223 F224 L228 T229 I230N222-T226 PolarHBondContact O-N 3.05Å; N222-T226 PolarHBondContact O-OG1 3.29Å; H223-T226 WeakPolarHBondContact O-CA 3.27Å; H223-T226 VanDerWaalsContact O-CB 3.31Å; H223-T226 WeakPolarHBondContact O-CB 3.47Å; H223-T226 PolarHBondContact O-N 3.46Å; F224-T226 VanDerWaalsContact C-N 3.27Å; F224-T226 PolarHBondContact O-N 3.32Å; T226-L228 PolarHBondContact O-N 3.41Å; T226-T229 WeakPolarHBondContact O-CB 3.21Å; T226-T229 PolarHBondContact O-N 3.09Å; T226-T229 VanDerWaalsContact O-N 3.1Å; T226-I230 HydrophobicContact CG2-CD1 4.37Å; T226-I230 WeakPolarHBondContact O-CG1 3.2Å; T226-I230 PolarHBondContact O-N 3.01Å
227D88.9Confident90.4Very high87 Ų8767.9 Ų67.947%0.46535%0.346SS..Hα-helixtrans-61.1-46179.8-55.9-33.1000111.3H223 F224 T229 I230 S231H223-D227 PolarHBondContact O-N 2.85Å; F224-D227 PolarHBondContact O-N 3.4Å; D227-T229 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.29Å; D227-I230 WeakPolarHBondContact O-CB 3.38Å; D227-I230 PolarHBondContact O-N 2.94Å; D227-I230 VanDerWaalsContact O-N 3.13Å; D227-S231 PolarHBondContact O-N 3.32Å; D227-S231 PolarHBondContact O-OG 2.81Å
228L93.2Very high89.9Confident8 Ų866.6 Ų66.64%0.04234%0.338CS..Hα-helixtrans-60.6-37.1174.6179.163.7000112.5I83 F90 F224 T226 I230 S231 I232I83-L228 HydrophobicContact CG1-CD1 3.89Å; F90-L228 HydrophobicContact CE1-CD2 3.79Å; F90-L228 HydrophobicContact CZ-CD2 3.59Å; F224-L228 HydrophobicContact CE1-CB 4.36Å; F224-L228 HydrophobicContact CE1-CD2 3.81Å; F224-L228 HydrophobicContact CZ-CB 4.26Å; F224-L228 HydrophobicContact CZ-CD2 4.02Å; F224-L228 WeakPolarHBondContact O-CB 3.39Å; F224-L228 PolarHBondContact O-N 3.12Å; T226-L228 PolarHBondContact O-N 3.41Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.13Å; L228-S231 PolarHBondContact O-N 3.45Å; L228-I232 HydrophobicContact CD1-CD1 4.13Å; L228-I232 HydrophobicContact CD1-CG1 4.24Å; L228-I232 HydrophobicContact CG-CD1 3.91Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.39Å; L228-I232 VanDerWaalsContact O-CG1 3.23Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 2.82Å
229T90.6Very high89.6Confident86 Ų8670 Ų7053%0.52834%0.342SS..Hα-helixtrans-64.6-39.2176.5-60.90000110.9K225 T226 D227 Q233K225-T229 WeakPolarHBondContact O-CB 3.22Å; K225-T229 PolarHBondContact O-N 2.94Å; K225-T229 VanDerWaalsContact O-N 3.1Å; K225-T229 PolarHBondContact O-OG1 3.27Å; T226-T229 WeakPolarHBondContact O-CB 3.21Å; T226-T229 PolarHBondContact O-N 3.09Å; T226-T229 VanDerWaalsContact O-N 3.1Å; D227-T229 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.29Å; T229-Q233 PolarHBondContact O-N 3.08Å; T229-Q233 VanDerWaalsContact O-N 3.17Å
230I87.2Confident89.1Confident91 Ų9169.7 Ų69.747%0.46734%0.342SS..Hα-helixtrans-65.5-49.1174-64.3165.3000110.1T226 D227 L228 I232 Q233 N234T226-I230 HydrophobicContact CG2-CD1 4.37Å; T226-I230 WeakPolarHBondContact O-CG1 3.2Å; T226-I230 PolarHBondContact O-N 3.01Å; D227-I230 WeakPolarHBondContact O-CB 3.38Å; D227-I230 PolarHBondContact O-N 2.94Å; D227-I230 VanDerWaalsContact O-N 3.13Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.13Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 3.41Å; I230-Q233 PolarHBondContact O-N 3.14Å; I230-N234 PolarHBondContact O-N 3.47Å
231S89.4Confident88.5Confident14 Ų1465.9 Ų65.910%0.09832%0.324CS..Hα-helixtrans-58.6-40.7177.9-71.50000113.6D79 D227 L228 Q233 N234 T235D79-S231 WeakPolarHBondContact OD1-CA 3.42Å; D79-S231 WeakPolarHBondContact OD1-CB 3.36Å; D79-S231 PolarHBondContact OD1-OG 3.32Å; D227-S231 PolarHBondContact O-N 3.32Å; D227-S231 PolarHBondContact O-OG 2.81Å; L228-S231 PolarHBondContact O-N 3.45Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 2.66Å; S231-N234 PolarHBondContact O-N 2.82Å; S231-T235 VanDerWaalsContact O-CB 3.32Å; S231-T235 WeakPolarHBondContact O-CB 3.43Å; S231-T235 PolarHBondContact O-N 2.87Å; S231-T235 PolarHBondContact O-OG1 2.85Å
232I90.1Very high88Confident54 Ų5464.8 Ų64.828%0.27732%0.321SS..Hα-helixtrans-61.1-42173.8-73.2168000110.7I83 L228 I230 R236I83-I232 HydrophobicContact CD1-CG1 3.93Å; I83-I232 HydrophobicContact CG1-CG1 3.87Å; L228-I232 HydrophobicContact CD1-CD1 4.13Å; L228-I232 HydrophobicContact CD1-CG1 4.24Å; L228-I232 HydrophobicContact CG-CD1 3.91Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.39Å; L228-I232 VanDerWaalsContact O-CG1 3.23Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 2.82Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 3.41Å; I232-R236 VanDerWaalsContact CG2-CZ 3.49Å; I232-R236 VanDerWaalsContact O-CG 3.32Å; I232-R236 WeakPolarHBondContact O-CG 3.26Å; I232-R236 PolarHBondContact O-N 2.83Å
233Q87.6Confident87.7Confident80 Ų8066.7 Ų66.737%0.37432%0.323SS..Hα-helixtrans-74.5-37.7-179.4-164.755.544.600112.8T229 I230 S231 T235 R236 N237T229-Q233 PolarHBondContact O-N 3.08Å; T229-Q233 VanDerWaalsContact O-N 3.17Å; I230-Q233 PolarHBondContact O-N 3.14Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 2.66Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; Q233-T235 PolarHBondContact O-N 2.82Å; Q233-R236 PolarHBondContact O-N 3.3Å; Q233-R236 VanDerWaalsContact OE1-NH1 3.15Å; Q233-N237 PolarHBondContact NE2-OD1 3.44Å; Q233-N237 PolarHBondContact O-N 2.91Å; Q233-N237 PolarHBondContact O-OD1 2.76Å
234N86.1Confident87.4Confident28 Ų2863 Ų6315%0.1531%0.313CS..Hα-helixtrans-57.4-47.7170.3-71.3-14.4000110.7I230 S231 R236 N237 R238I230-N234 PolarHBondContact O-N 3.47Å; S231-N234 PolarHBondContact O-N 2.82Å; N234-R236 PolarHBondContact O-N 3.36Å; N234-N237 PolarHBondContact O-N 2.68Å; N234-R238 WeakPolarHBondContact O-CG 3.36Å; N234-R238 PolarHBondContact O-N 2.89Å
235T87.7Confident86.7Confident38 Ų3864.2 Ų64.223%0.23332%0.32CS..Hα-helixtrans-62.2-41.2178.9-57.40000111.9D79 I83 S231 Q233 R238 F239D79-T235 WeakPolarHBondContact CB-OG1 3.17Å; I83-T235 HydrophobicContact CD1-CG2 4.24Å; I83-T235 WeakPolarHBondContact CD1-OG1 3.16Å; S231-T235 VanDerWaalsContact O-CB 3.32Å; S231-T235 WeakPolarHBondContact O-CB 3.43Å; S231-T235 PolarHBondContact O-N 2.87Å; S231-T235 PolarHBondContact O-OG1 2.85Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; Q233-T235 PolarHBondContact O-N 2.82Å; T235-R238 PolarHBondContact O-N 2.79Å; T235-F239 WeakPolarHBondContact O-CB 3.25Å; T235-F239 PolarHBondContact O-N 2.87Å
236R88.1Confident86.3Confident138 Ų13862.5 Ų62.552%0.52132%0.317SS..Hα-helixtrans-61.4-48.2172.4-74.3169.1-179.2161.30.5112.3I232 Q233 N234 R238 F239 E240I232-R236 VanDerWaalsContact CG2-CZ 3.49Å; I232-R236 VanDerWaalsContact O-CG 3.32Å; I232-R236 WeakPolarHBondContact O-CG 3.26Å; I232-R236 PolarHBondContact O-N 2.83Å; Q233-R236 PolarHBondContact O-N 3.3Å; Q233-R236 VanDerWaalsContact OE1-NH1 3.15Å; N234-R236 PolarHBondContact O-N 3.36Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R236-R238 PolarHBondContact O-N 2.89Å; R236-F239 PolarHBondContact O-N 3.39Å; R236-F239 VanDerWaalsContact O-N 3.15Å; R236-E240 PolarHBondContact O-N 2.7Å
237N84.1Confident86.1Confident23 Ų2363 Ų6312%0.12332%0.315CS..Hα-helixtrans-60.6-42.3-180-66-1.5000111.1Q233 N234 S241 N526Q233-N237 PolarHBondContact NE2-OD1 3.44Å; Q233-N237 PolarHBondContact O-N 2.91Å; Q233-N237 PolarHBondContact O-OD1 2.76Å; N234-N237 PolarHBondContact O-N 2.68Å; N237-S241 PolarHBondContact O-N 2.75Å; N237-N526 PolarHBondContact ND2-OD1 3Å
238R83.4Confident85.8Confident13 Ų1360.5 Ų60.55%0.04931%0.305CS..Hα-helixtrans-65.1-41.6173.9-68.7-176.5-171.6134.74.6112D79 N234 T235 R236 T242 V529 E557D79-R238 IonicContact OD2-CZ 3.61Å; D79-R238 IonicContact OD2-NH1 3.46Å; D79-R238 PolarHBondContact OD2-NH1 3.47Å; D79-R238 IonicContact OD2-NH2 3.41Å; D79-R238 PolarHBondContact OD2-NH2 2.91Å; N234-R238 WeakPolarHBondContact O-CG 3.36Å; N234-R238 PolarHBondContact O-N 2.89Å; T235-R238 PolarHBondContact O-N 2.79Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R236-R238 PolarHBondContact O-N 2.89Å; R238-T242 WeakPolarHBondContact O-CB 3.24Å; R238-T242 PolarHBondContact O-N 2.86Å; R238-T242 PolarHBondContact O-OG1 3.31Å; R238-V529 HydrophobicContact CG-CG2 3.78Å; R238-E557 IonicContact CZ-OE1 3.83Å; R238-E557 IonicContact CZ-OE2 2.81Å; R238-E557 IonicContact NE-OE1 2.66Å; R238-E557 PolarHBondContact NE-OE1 2.89Å; R238-E557 VanDerWaalsContact NH2-CD 3.34Å; R238-E557 IonicContact NH2-OE1 2.8Å; R238-E557 PolarHBondContact NH2-OE1 2.93Å; R238-E557 VanDerWaalsContact NH2-OE1 3.16Å; R238-E557 IonicContact NH2-OE2 3.84Å; R238-E557 PolarHBondContact NH2-OE2 3.14Å
239F87.1Confident85.3Confident129 Ų12960.5 Ų60.557%0.56631%0.305SS*.Hα-helixtrans-63-44.7176.6170.9-100.7000112.8T235 R236 S241 T242 R243T235-F239 WeakPolarHBondContact O-CB 3.25Å; T235-F239 PolarHBondContact O-N 2.87Å; R236-F239 PolarHBondContact O-N 3.39Å; R236-F239 VanDerWaalsContact O-N 3.15Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 3.48Å; F239-T242 PolarHBondContact O-N 2.98Å; F239-R243 HydrophobicContact CZ-CB 4.42Å; F239-R243 WeakPolarHBondContact O-CB 3.44Å; F239-R243 PolarHBondContact O-N 3.05Å
240E84.4Confident85Confident99 Ų9960.9 Ų60.946%0.46330%0.301SS..Hα-helixtrans-60.3-42.5179-75.3-179.2-175.800112.2R236 S244R236-E240 PolarHBondContact O-N 2.7Å; E240-S244 PolarHBondContact O-N 2.75Å; E240-S244 VanDerWaalsContact O-N 3.11Å
241S79.3Confident84.9Confident24 Ų2463.1 Ų63.117%0.16830%0.304CS..Hα-helixtrans-61.7-51.6173.1172.30000111.5N237 F239 R243 S244 E245N237-S241 PolarHBondContact O-N 2.75Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 3.48Å; S241-R243 VanDerWaalsContact C-N 3.33Å; S241-R243 PolarHBondContact O-N 2.72Å; S241-S244 WeakPolarHBondContact O-CB 3.29Å; S241-S244 PolarHBondContact O-N 2.76Å; S241-S244 VanDerWaalsContact O-N 3.09Å; S241-E245 PolarHBondContact O-N 3.49Å; S241-E245 VanDerWaalsContact O-N 3.12Å
242T82.1Confident84.4Confident29 Ų2965.7 Ų65.718%0.17831%0.313CS..Hα-helixtrans-59.4-42.4-179.7-520000111.7R238 F239 S244 E245 V246 I546R238-T242 WeakPolarHBondContact O-CB 3.24Å; R238-T242 PolarHBondContact O-N 2.86Å; R238-T242 PolarHBondContact O-OG1 3.31Å; F239-T242 PolarHBondContact O-N 2.98Å; T242-S244 PolarHBondContact O-N 2.97Å; T242-E245 PolarHBondContact O-N 3.35Å; T242-V246 WeakPolarHBondContact O-CG2 3.31Å; T242-V246 PolarHBondContact O-N 3.38Å; T242-I546 HydrophobicContact CG2-CG2 3.69Å
243R86.4Confident83.9Confident111 Ų11166.9 Ų66.942%0.41932%0.319SS..Hα-helixtrans-60.3-43.3175.2-176.1-174.264.378.75.8111.7F239 S241 E245 V246 E247F239-R243 HydrophobicContact CZ-CB 4.42Å; F239-R243 WeakPolarHBondContact O-CB 3.44Å; F239-R243 PolarHBondContact O-N 3.05Å; S241-R243 VanDerWaalsContact C-N 3.33Å; S241-R243 PolarHBondContact O-N 2.72Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.44Å; R243-V246 PolarHBondContact O-N 3.31Å; R243-E247 WeakPolarHBondContact CG-OE1 3.31Å; R243-E247 IonicContact CZ-OE1 2.64Å; R243-E247 IonicContact CZ-OE2 3.16Å; R243-E247 IonicContact NH1-OE1 3.25Å; R243-E247 PolarHBondContact NH1-OE1 2.9Å; R243-E247 IonicContact NH1-OE2 3.32Å; R243-E247 PolarHBondContact NH1-OE2 3.02Å; R243-E247 WeakPolarHBondContact O-CB 3.41Å; R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 2.97Å
244S83.3Confident83.5Confident65 Ų6570.1 Ų70.146%0.45533%0.332SS..Hα-helixtrans-61.6-38.1177.8-171.50000112.1E240 S241 T242 S248E240-S244 PolarHBondContact O-N 2.75Å; E240-S244 VanDerWaalsContact O-N 3.11Å; S241-S244 WeakPolarHBondContact O-CB 3.29Å; S241-S244 PolarHBondContact O-N 2.76Å; S241-S244 VanDerWaalsContact O-N 3.09Å; T242-S244 PolarHBondContact O-N 2.97Å; S244-S248 VanDerWaalsContact O-CB 3.3Å; S244-S248 WeakPolarHBondContact O-CB 3.05Å; S244-S248 PolarHBondContact O-N 3.42Å
245E79.8Confident83.3Confident74 Ų7474.8 Ų74.835%0.34635%0.352SS..Hα-helixtrans-72.6-38176.2-63.9-58.7162.800112.5S241 T242 R243 E247 S248 L249 I546 I549S241-E245 PolarHBondContact O-N 3.49Å; S241-E245 VanDerWaalsContact O-N 3.12Å; T242-E245 PolarHBondContact O-N 3.35Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.44Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.13Å; E245-S248 WeakPolarHBondContact O-CB 3.15Å; E245-S248 PolarHBondContact O-N 2.97Å; E245-L249 WeakPolarHBondContact O-CB 3.44Å; E245-L249 PolarHBondContact O-N 3.32Å; E245-I546 HydrophobicContact CB-CD1 4.35Å; E245-I546 HydrophobicContact CB-CG1 4.4Å; E245-I546 HydrophobicContact CB-CG2 4.25Å; E245-I549 HydrophobicContact CB-CD1 4.27Å; E245-I549 HydrophobicContact CG-CD1 4.06Å
246V83.1Confident82.6Confident58 Ų5876.9 Ų76.935%0.35236%0.362SS..Hα-helixtrans-61.6-41.9171.5175.80000111.4T242 R243 L249 M250 I546T242-V246 WeakPolarHBondContact O-CG2 3.31Å; T242-V246 PolarHBondContact O-N 3.38Å; R243-V246 PolarHBondContact O-N 3.31Å; V246-L249 PolarHBondContact O-N 3.39Å; V246-M250 WeakPolarHBondContact O-CB 3.48Å; V246-M250 PolarHBondContact O-N 2.86Å; V246-I546 HydrophobicContact CG2-CD1 4.47Å; V246-I546 HydrophobicContact CG2-CG2 3.69Å
247E85.9Confident81.6Confident73 Ų7373.7 Ų73.734%0.34136%0.36SS..Hα-helixtrans-68.7-34.2177.1-76.3173.3-166.400112.7R243 E245 R251R243-E247 WeakPolarHBondContact CG-OE1 3.31Å; R243-E247 IonicContact CZ-OE1 2.64Å; R243-E247 IonicContact CZ-OE2 3.16Å; R243-E247 IonicContact NH1-OE1 3.25Å; R243-E247 PolarHBondContact NH1-OE1 2.9Å; R243-E247 IonicContact NH1-OE2 3.32Å; R243-E247 PolarHBondContact NH1-OE2 3.02Å; R243-E247 WeakPolarHBondContact O-CB 3.41Å; R243-E247 WeakPolarHBondContact O-CG 3.38Å; R243-E247 PolarHBondContact O-N 2.97Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.13Å; E247-R251 WeakPolarHBondContact O-CB 3.22Å; E247-R251 PolarHBondContact O-N 3.07Å; E247-R251 VanDerWaalsContact O-N 3.15Å
248S83.8Confident80.6Confident36 Ų3678.9 Ų78.925%0.25238%0.383SS..Hα-helixtrans-63.3-51.5171.5-1740000111.1S244 E245 M250 R251 K252S244-S248 VanDerWaalsContact O-CB 3.3Å; S244-S248 WeakPolarHBondContact O-CB 3.05Å; S244-S248 PolarHBondContact O-N 3.42Å; E245-S248 WeakPolarHBondContact O-CB 3.15Å; E245-S248 PolarHBondContact O-N 2.97Å; S248-M250 PolarHBondContact O-N 3.42Å; S248-R251 WeakPolarHBondContact O-CB 3.47Å; S248-R251 PolarHBondContact O-N 2.97Å; S248-R251 VanDerWaalsContact O-N 3.08Å; S248-K252 PolarHBondContact O-N 3.19Å
249L82Confident79.5Confident8 Ų885 Ų854%0.04241%0.412CS..Hα-helixtrans-63-43.8178.8-176.957.1000112.2E245 V246 R251 K252 M253 E541 I546E245-L249 WeakPolarHBondContact O-CB 3.44Å; E245-L249 PolarHBondContact O-N 3.32Å; V246-L249 PolarHBondContact O-N 3.39Å; L249-R251 PolarHBondContact O-N 2.81Å; L249-K252 PolarHBondContact O-N 3.44Å; L249-M253 HydrophobicContact CD1-CE 3.92Å; L249-M253 HydrophobicContact CD1-CG 4.15Å; L249-M253 HydrophobicContact CD1-SD 4.31Å; L249-M253 HydrophobicContact CD2-CE 4.16Å; L249-M253 HydrophobicContact CG-CE 4.04Å; L249-M253 HydrophobicContact CG-CG 4.41Å; L249-M253 HydrophobicContact CG-SD 4.09Å; L249-M253 WeakPolarHBondContact O-CB 3.45Å; L249-M253 WeakPolarHBondContact O-CG 3.39Å; L249-M253 PolarHBondContact O-N 3.37Å; L249-E541 HydrophobicContact CD1-CB 3.77Å; L249-E541 WeakPolarHBondContact CD2-O 3.36Å; L249-I546 HydrophobicContact CB-CD1 3.98Å; L249-I546 HydrophobicContact CD2-CD1 3.59Å; L249-I546 HydrophobicContact CG-CD1 4.43Å
250M83.4Confident78.2Confident93 Ų9381.7 Ų81.746%0.45840%0.398SS..Hα-helixtrans-56.5-36.4173.7178.4-169.85500111.6V246 S248 K254V246-M250 WeakPolarHBondContact O-CB 3.48Å; V246-M250 PolarHBondContact O-N 2.86Å; S248-M250 PolarHBondContact O-N 3.42Å; M250-K254 HydrophobicContact CG-CD 4.26Å; M250-K254 WeakPolarHBondContact O-CD 3.29Å; M250-K254 VanDerWaalsContact O-CG 3.29Å; M250-K254 WeakPolarHBondContact O-CG 3.31Å; M250-K254 PolarHBondContact O-N 3.18Å; M250-K254 PolarHBondContact SD-NZ 3.38Å
251R85.2Confident77Confident139 Ų13983 Ų8353%0.52540%0.402SS..Hα-helixtrans-70.3-51.1178-168-177.4-55.1128.810.4111.2E247 S248 L249 M253 K254 E255E247-R251 WeakPolarHBondContact O-CB 3.22Å; E247-R251 PolarHBondContact O-N 3.07Å; E247-R251 VanDerWaalsContact O-N 3.15Å; S248-R251 WeakPolarHBondContact O-CB 3.47Å; S248-R251 PolarHBondContact O-N 2.97Å; S248-R251 VanDerWaalsContact O-N 3.08Å; L249-R251 PolarHBondContact O-N 2.81Å; R251-M253 VanDerWaalsContact C-N 3.31Å; R251-M253 PolarHBondContact O-N 2.64Å; R251-K254 WeakPolarHBondContact O-CB 3.16Å; R251-K254 PolarHBondContact O-N 3.47Å; R251-E255 WeakPolarHBondContact CD-OE1 3.46Å; R251-E255 HydrophobicContact CG-CG 4.48Å; R251-E255 WeakPolarHBondContact CG-OE1 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.37Å
252K80.4Confident75.9Confident67 Ų6786 Ų8629%0.29142%0.424SS..Hα-helixtrans-53.8-45.8175.6-67.5-178-175.8178.80112.6S248 L249 K254 E255 N256 E541S248-K252 PolarHBondContact O-N 3.19Å; L249-K252 PolarHBondContact O-N 3.44Å; K252-K254 VanDerWaalsContact C-N 3.25Å; K252-K254 PolarHBondContact O-N 3.01Å; K252-E255 PolarHBondContact O-N 3.27Å; K252-N256 PolarHBondContact O-N 2.92Å; K252-E541 VanDerWaalsContact CD-OE2 3.28Å; K252-E541 WeakPolarHBondContact CD-OE2 3.45Å; K252-E541 IonicContact NZ-OE1 3.44Å; K252-E541 PolarHBondContact NZ-OE1 3.04Å; K252-E541 IonicContact NZ-OE2 3.28Å; K252-E541 PolarHBondContact NZ-OE2 3.41Å
253M79.8Confident74.7Confident80 Ų8089.8 Ų89.839%0.39445%0.446SS..Hα-helixtrans-66-23178.2-73.9-177.4165.600113.9L249 R251 P257 H260L249-M253 HydrophobicContact CD1-CE 3.92Å; L249-M253 HydrophobicContact CD1-CG 4.15Å; L249-M253 HydrophobicContact CD1-SD 4.31Å; L249-M253 HydrophobicContact CD2-CE 4.16Å; L249-M253 HydrophobicContact CG-CE 4.04Å; L249-M253 HydrophobicContact CG-CG 4.41Å; L249-M253 HydrophobicContact CG-SD 4.09Å; L249-M253 WeakPolarHBondContact O-CB 3.45Å; L249-M253 WeakPolarHBondContact O-CG 3.39Å; L249-M253 PolarHBondContact O-N 3.37Å; R251-M253 VanDerWaalsContact C-N 3.31Å; R251-M253 PolarHBondContact O-N 2.64Å; M253-P257 WeakPolarHBondContact O-CG 3.32Å; M253-H260 HydrophobicContact CG-CB 4.17Å
254K77.7Confident73.4Confident148 Ų14886.4 Ų86.464%0.64344%0.439SS*.Hα-helixtrans-84.1-33.6172.6-76.7170.2177.7172.80112.6M250 R251 K252M250-K254 HydrophobicContact CG-CD 4.26Å; M250-K254 WeakPolarHBondContact O-CD 3.29Å; M250-K254 VanDerWaalsContact O-CG 3.29Å; M250-K254 WeakPolarHBondContact O-CG 3.31Å; M250-K254 PolarHBondContact O-N 3.18Å; M250-K254 PolarHBondContact SD-NZ 3.38Å; R251-K254 WeakPolarHBondContact O-CB 3.16Å; R251-K254 PolarHBondContact O-N 3.47Å; K252-K254 VanDerWaalsContact C-N 3.25Å; K252-K254 PolarHBondContact O-N 3.01Å
255E81.9Confident72.5Confident125 Ų12592 Ų9258%0.58446%0.458SS*.Hα-helixtrans-77.7-53.4-177.8-72.3166.1177.700111.2R251 K252 P257R251-E255 WeakPolarHBondContact CD-OE1 3.46Å; R251-E255 HydrophobicContact CG-CG 4.48Å; R251-E255 WeakPolarHBondContact CG-OE1 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.37Å; K252-E255 PolarHBondContact O-N 3.27Å; E255-P257 WeakPolarHBondContact O-CD 3.38Å
256N73.9Confident72.3Confident82 Ų8291 Ų9144%0.43945%0.453SS..  trans-124.275.2179.5-71.4-2.1000112.3K252 H258 E259 H260K252-N256 PolarHBondContact O-N 2.92Å; N256-H258 PolarHBondContact O-N 3.45Å; N256-E259 HydrophobicContact CB-CB 4.38Å; N256-E259 HydrophobicContact CB-CG 4.28Å; N256-E259 VanDerWaalsContact CB-OE2 3.3Å; N256-E259 WeakPolarHBondContact CB-OE2 3.45Å; N256-E259 PolarHBondContact ND2-OE2 2.99Å; N256-E259 PolarHBondContact O-N 3.35Å; N256-H260 PolarHBondContact O-ND1 3.27Å
257P67.8Low72.3Confident72 Ų7291.2 Ų91.247%0.46846%0.455SS..THydrogen-bonded Turntrans-62.9-24.5-175.6-21.130.9000115.1M253 E255M253-P257 WeakPolarHBondContact O-CG 3.32Å; E255-P257 WeakPolarHBondContact O-CD 3.38Å
258H62.9Low72.3Confident131 Ų13189.1 Ų89.161%0.60645%0.446SS*.THydrogen-bonded Turntrans-85.4-25.9-173.6-68-112.9000113.1N256N256-H258 PolarHBondContact O-N 3.45Å
259E60.1Low72.6Confident143 Ų14390.6 Ų90.667%0.66845%0.448SS*.THydrogen-bonded Turntrans-79.3-32.2176.8-62.9-179.2151.200111.8N256 K261N256-E259 HydrophobicContact CB-CB 4.38Å; N256-E259 HydrophobicContact CB-CG 4.28Å; N256-E259 VanDerWaalsContact CB-OE2 3.3Å; N256-E259 WeakPolarHBondContact CB-OE2 3.45Å; N256-E259 PolarHBondContact ND2-OE2 2.99Å; N256-E259 PolarHBondContact O-N 3.35Å; E259-K261 VanDerWaalsContact C-N 3.28Å; E259-K261 PolarHBondContact O-N 3.32Å
260H58.6Low72.9Confident59 Ų5991 Ų9127%0.27346%0.455SS..THydrogen-bonded Turntrans-91.625.9-176.6-59.583.4000113M253 N256 S262M253-H260 HydrophobicContact CG-CB 4.17Å; N256-H260 PolarHBondContact O-ND1 3.27Å; H260-S262 PolarHBondContact O-N 3.21Å
261K59.9Low73.2Confident125 Ų12590 Ų9054%0.54345%0.446SS..  trans-65.7131.4169.9-74-173.9175.9-174.60109.1E259E259-K261 VanDerWaalsContact C-N 3.28Å; E259-K261 PolarHBondContact O-N 3.32Å
262S56.5Low73.6Confident89 Ų8983.4 Ų83.462%0.62242%0.421SS*.  trans-55.6142.6176.3-177.90000111.2H260 S264H260-S262 PolarHBondContact O-N 3.21Å; S262-S264 PolarHBondContact O-N 3.4Å
263V56Low74.1Confident108 Ų10883.2 Ų83.266%0.65542%0.421SS*.  trans-74.580.9173.8-173.90000108.1
264S60.2Low74.6Confident39 Ų3979.9 Ų79.927%0.27341%0.405SS..  trans-62.4146-178.7-1640000111.6S262 H266 E269S262-S264 PolarHBondContact O-N 3.4Å; S264-H266 PolarHBondContact O-N 3.03Å; S264-H266 WeakPolarHBondContact OG-CB 3.49Å; S264-H266 PolarHBondContact OG-N 3.08Å; S264-H266 PolarHBondContact OG-ND1 3.06Å; S264-E269 WeakPolarHBondContact CB-OE1 3.29Å; S264-E269 PolarHBondContact OG-OE1 2.88Å; S264-E269 PolarHBondContact OG-OE2 2.68Å
265H64.4Low75.2Confident182 Ų18274.4 Ų74.484%0.84338%0.382SS*.SBendtrans-71.1-17.5166-61.8-44.1000111.7
266H75.1Confident75.5Confident54 Ų5470.6 Ų70.625%0.2537%0.365CS..SBendtrans-79.5144.6170.7-57.5115.7000111.2S264 M268 E269 H292S264-H266 PolarHBondContact O-N 3.03Å; S264-H266 WeakPolarHBondContact OG-CB 3.49Å; S264-H266 PolarHBondContact OG-N 3.08Å; S264-H266 PolarHBondContact OG-ND1 3.06Å; H266-M268 VanDerWaalsContact C-N 3.29Å; H266-E269 HydrophobicContact CB-CB 4.18Å; H266-E269 IonicContact CE1-OE2 3.36Å; H266-E269 IonicContact CG-OE2 3.18Å; H266-E269 IonicContact ND1-OE2 3.06Å; H266-E269 PolarHBondContact ND1-OE2 3.11Å; H266-H292 AromaticContact CD2-CE1 3.17Å; H266-H292 PolarHBondContact CD2-CE1 2.8Å; H266-H292 AromaticContact CD2-ND1 3.77Å; H266-H292 AromaticContact CD2-NE2 3.38Å; H266-H292 PolarHBondContact CD2-NE2 3.44Å; H266-H292 AromaticContact NE2-CE1 3.48Å; H266-H292 PolarHBondContact NE2-CE1 3.2Å; H266-H292 AromaticContact NE2-NE2 3.84Å
267T82.7Confident75.8Confident62 Ų6274.6 Ų74.638%0.3838%0.378SS..SBendtrans-69.2-32170.9-51.60000111.4Y291 R293 A363T267-Y291 WeakPolarHBondContact CB-O 3.3Å; T267-Y291 HydrophobicContact CG2-CD1 4.42Å; T267-Y291 HydrophobicContact CG2-CE1 4.39Å; T267-Y291 PolarHBondContact N-O 3.48Å; T267-R293 HydrophobicContact CG2-CB 3.95Å; T267-R293 WeakPolarHBondContact OG1-CB 3.49Å; T267-R293 PolarHBondContact OG1-N 3.17Å; T267-A363 HydrophobicContact CG2-CB 4.16Å
268M85.3Confident76.2Confident30 Ų3078.5 Ų78.515%0.14838%0.384CS..EExtended strand (participates in β ladder)trans-154141.1170.3-171.864.2175.600109.2H266 Y291 L359 W360 A363H266-M268 VanDerWaalsContact C-N 3.29Å; M268-Y291 PolarHBondContact N-O 3.17Å; M268-Y291 PolarHBondContact O-N 3.38Å; M268-L359 HydrophobicContact CE-CB 3.76Å; M268-L359 HydrophobicContact SD-CB 4.33Å; M268-W360 HydrophobicContact CB-CD2 4.44Å; M268-W360 HydrophobicContact CB-CE3 3.99Å; M268-W360 HydrophobicContact CB-CH2 4.35Å; M268-W360 HydrophobicContact CB-CZ3 3.94Å; M268-W360 HydrophobicContact CE-CD2 4.18Å; M268-W360 HydrophobicContact CE-CG 4.02Å; M268-W360 HydrophobicContact CG-CD2 3.47Å; M268-W360 VanDerWaalsContact CG-CD2 3.47Å; M268-W360 HydrophobicContact CG-CE3 3.51Å; M268-W360 HydrophobicContact CG-CG 4.09Å; M268-W360 HydrophobicContact CG-CH2 3.94Å; M268-W360 HydrophobicContact CG-CZ2 3.9Å; M268-W360 HydrophobicContact CG-CZ3 3.75Å; M268-A363 HydrophobicContact CB-CB 3.74Å; M268-A363 HydrophobicContact CG-CB 4.42Å
269E90Very high76.4Confident66 Ų6677.9 Ų77.931%0.30839%0.394SS..EExtended strand (participates in β ladder)trans-145.8155.8173.468.9-169.5160.900111.4S264 H266 Y288 C289 T290S264-E269 WeakPolarHBondContact CB-OE1 3.29Å; S264-E269 PolarHBondContact OG-OE1 2.88Å; S264-E269 PolarHBondContact OG-OE2 2.68Å; H266-E269 HydrophobicContact CB-CB 4.18Å; H266-E269 IonicContact CE1-OE2 3.36Å; H266-E269 IonicContact CG-OE2 3.18Å; H266-E269 IonicContact ND1-OE2 3.06Å; H266-E269 PolarHBondContact ND1-OE2 3.11Å; E269-Y288 PolarHBondContact OE2-OH 3.38Å; E269-C289 VanDerWaalsContact CA-O 3.29Å; E269-C289 WeakPolarHBondContact CA-O 3.34Å; E269-T290 HydrophobicContact CB-CG2 3.98Å
270G88.6Confident76.7Confident17 Ų1780.9 Ų80.918%0.17541%0.405CS..EExtended strand (participates in β ladder)trans151.2-176.1179.500000113.6C289G270-C289 PolarHBondContact N-O 3.03Å; G270-C289 PolarHBondContact O-N 3.18Å
271Y90.8Very high77.5Confident73 Ų7382.5 Ų82.529%0.28642%0.419SS..EExtended strand (participates in β ladder)trans-86.1132.5179.7-68.1-76.2000112.4K286 Y287 Y288 F303Y271-K286 HydrophobicContact CD1-CD 4.13Å; Y271-K286 HydrophobicContact CD1-CG 4.24Å; Y271-K286 VanDerWaalsContact CG-CE 3.42Å; Y271-Y287 WeakPolarHBondContact CA-O 3.22Å; Y271-Y288 HydrophobicContact CD1-CD2 4.01Å; Y271-Y288 HydrophobicContact CD2-CD2 4.27Å; Y271-Y288 AromaticContact CE1-CD2 3.82Å; Y271-Y288 HydrophobicContact CE1-CD2 3.82Å; Y271-Y288 HydrophobicContact CE1-CG 4.32Å; Y271-Y288 HydrophobicContact CE2-CD2 4.07Å; Y271-Y288 HydrophobicContact CG-CD2 4.24Å; Y271-Y288 AromaticContact CZ-CD2 3.83Å; Y271-F303 HydrophobicContact CE1-CB 4.14Å; Y271-F303 HydrophobicContact CE1-CD1 4.31Å; Y271-F303 HydrophobicContact CE1-CG 4.18Å
272L92.6Very high78.5Confident0 Ų079.9 Ų79.90%042%0.416CS..EExtended strand (participates in β ladder)trans-126.2153.9169.5-66173.4000109.4Y287 C289 F298 F336 M349 A351 W360L272-Y287 PolarHBondContact N-O 2.99Å; L272-Y287 PolarHBondContact O-N 2.9Å; L272-Y287 VanDerWaalsContact O-O 3.12Å; L272-C289 HydrophobicContact CD1-CB 4.02Å; L272-C289 HydrophobicContact CG-CB 4.45Å; L272-F298 HydrophobicContact CD1-CZ 4.01Å; L272-F336 HydrophobicContact CD1-CZ 3.89Å; L272-F336 HydrophobicContact CD2-CE1 4.03Å; L272-F336 HydrophobicContact CD2-CZ 4.07Å; L272-M349 HydrophobicContact CD1-SD 3.8Å; L272-A351 HydrophobicContact CD2-CB 4.11Å; L272-W360 HydrophobicContact CD1-CD2 4.06Å; L272-W360 HydrophobicContact CD1-CE3 4.35Å; L272-W360 HydrophobicContact CD1-CH2 4.3Å; L272-W360 HydrophobicContact CD1-CZ2 4.01Å; L272-W360 HydrophobicContact CD1-CZ3 4.46Å; L272-W360 HydrophobicContact CD2-CD2 4.47Å; L272-W360 HydrophobicContact CD2-CG 4.34Å; L272-W360 HydrophobicContact CG-CZ2 4.16Å
273F91.4Very high80Confident63 Ų6378 Ų7828%0.27640%0.401SS..EExtended strand (participates in β ladder)trans-99.4128.1165.7-70.9-97.3000109W284 V285 K286 M349 Q350 L352F273-W284 HydrophobicContact CB-CE3 3.89Å; F273-W284 HydrophobicContact CD1-CB 4.44Å; F273-W284 WeakPolarHBondContact O-CZ3 3.44Å; F273-V285 CarbonylContact C-O 3.56Å; F273-V285 WeakPolarHBondContact CA-O 3.23Å; F273-K286 HydrophobicContact CD1-CB 3.96Å; F273-K286 HydrophobicContact CD1-CG 4.34Å; F273-K286 HydrophobicContact CE1-CB 3.66Å; F273-K286 HydrophobicContact CE1-CD 4.48Å; F273-K286 HydrophobicContact CE1-CG 3.94Å; F273-K286 HydrophobicContact CE2-CG 4.21Å; F273-K286 HydrophobicContact CZ-CB 4.11Å; F273-K286 HydrophobicContact CZ-CD 4.11Å; F273-K286 HydrophobicContact CZ-CG 3.87Å; F273-M349 CarbonylContact O-C 3.5Å; F273-M349 WeakPolarHBondContact O-CA 3.45Å; F273-Q350 HydrophobicContact CB-CB 4.18Å; F273-Q350 PolarHBondContact N-O 3.42Å; F273-Q350 PolarHBondContact O-N 3.46Å; F273-L352 HydrophobicContact CD2-CD2 4.29Å; F273-L352 HydrophobicContact CE2-CD2 3.94Å
274V91.2Very high81.5Confident10 Ų1076 Ų766%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-105.9137.4179.1-176.40000109E276 W284 V285 Y287 M300 I347 M349V274-E276 PolarHBondContact O-N 3.32Å; V274-W284 WeakPolarHBondContact O-CA 3.46Å; V274-V285 PolarHBondContact N-O 2.84Å; V274-V285 PolarHBondContact O-N 3.2Å; V274-Y287 HydrophobicContact CB-CD2 3.84Å; V274-Y287 HydrophobicContact CB-CE2 3.91Å; V274-Y287 HydrophobicContact CG2-CD2 3.61Å; V274-Y287 HydrophobicContact CG2-CE2 4.09Å; V274-Y287 HydrophobicContact CG2-CG 4.21Å; V274-M300 HydrophobicContact CG2-CE 3.99Å; V274-M300 HydrophobicContact CG2-SD 4.22Å; V274-I347 HydrophobicContact CG1-CG2 3.72Å; V274-M349 HydrophobicContact CG2-CG 4.43Å
275L90.1Very high82.8Confident33 Ų3375.7 Ų75.717%0.17338%0.378CS..EExtended strand (participates in β ladder)trans-85.592.4178.8-177.659.5000111W284 T348L275-W284 HydrophobicContact CB-CD2 4.3Å; L275-W284 HydrophobicContact CB-CE3 4.02Å; L275-W284 HydrophobicContact CB-CH2 3.97Å; L275-W284 HydrophobicContact CB-CZ2 4.22Å; L275-W284 HydrophobicContact CB-CZ3 3.85Å; L275-W284 HydrophobicContact CD1-CD2 4.08Å; L275-W284 HydrophobicContact CD1-CG 4.37Å; L275-W284 HydrophobicContact CD1-CZ2 4.15Å; L275-W284 HydrophobicContact CD2-CZ2 4.25Å; L275-W284 HydrophobicContact CG-CZ2 4.45Å; L275-T348 HydrophobicContact CD2-CG2 4.42Å; L275-T348 PolarHBondContact N-O 3.41Å
276E87.9Confident84.1Confident45 Ų4570.5 Ų70.521%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-69.2141.2166.7-73.7-170.4-137.900111V274 R278 S282 T283 V285V274-E276 PolarHBondContact O-N 3.32Å; E276-R278 IonicContact OE1-NH2 2.97Å; E276-R278 PolarHBondContact OE1-NH2 2.89Å; E276-R278 IonicContact OE2-CZ 3.68Å; E276-R278 IonicContact OE2-NE 3.59Å; E276-R278 PolarHBondContact OE2-NE 2.9Å; E276-R278 IonicContact OE2-NH2 2.69Å; E276-R278 PolarHBondContact OE2-NH2 2.79Å; E276-S282 CarbonylContact O-C 3.56Å; E276-S282 VanDerWaalsContact O-CA 3.22Å; E276-S282 WeakPolarHBondContact O-CA 3.35Å; E276-T283 PolarHBondContact N-O 2.95Å; E276-T283 PolarHBondContact O-N 3.32Å; E276-V285 HydrophobicContact CG-CG2 4.28Å; E276-V285 VanDerWaalsContact OE1-CG2 3.27Å; E276-V285 WeakPolarHBondContact OE1-CG2 3.44Å
277K80.6Confident84.7Confident165 Ų16568.5 Ų68.572%0.71734%0.343SS*.EExtended strand (participates in β ladder)trans-115.7103.1170.5-66.1-177.6178.7176.50109.4
278R74.6Confident85.1Confident155 Ų15569.3 Ų69.359%0.58534%0.34SS*.EExtended strand (participates in β ladder)trans-95.1158.6170.5-56.5-176.7-175-168.71.9108.5E276 F280 V281E276-R278 IonicContact OE1-NH2 2.97Å; E276-R278 PolarHBondContact OE1-NH2 2.89Å; E276-R278 IonicContact OE2-CZ 3.68Å; E276-R278 IonicContact OE2-NE 3.59Å; E276-R278 PolarHBondContact OE2-NE 2.9Å; E276-R278 IonicContact OE2-NH2 2.69Å; E276-R278 PolarHBondContact OE2-NH2 2.79Å; R278-F280 PolarHBondContact O-N 3.47Å; R278-V281 CarbonylContact C-O 3.6Å; R278-V281 WeakPolarHBondContact CA-O 3.46Å; R278-V281 PolarHBondContact N-O 2.91Å; R278-V281 PolarHBondContact O-N 3.3Å
279S68.3Low85.4Confident117 Ų11767.9 Ų67.982%0.81833%0.333SS*.THydrogen-bonded Turntrans-52.9-21.9-157.3-440000117.6
280F65.3Low85.5Confident207 Ų20765.6 Ų65.691%0.90832%0.324SS*.THydrogen-bonded Turntrans-134-0.9175.4-59.5-76.2000114.4R278R278-F280 PolarHBondContact O-N 3.47Å
281V75.3Confident85.6Confident93 Ų9364.8 Ų64.856%0.56432%0.315SS*.EExtended strand (participates in β ladder)trans-146.4132.9-175.2-1750000109.8R278 T283R278-V281 CarbonylContact C-O 3.6Å; R278-V281 WeakPolarHBondContact CA-O 3.46Å; R278-V281 PolarHBondContact N-O 2.91Å; R278-V281 PolarHBondContact O-N 3.3Å; V281-T283 HydrophobicContact CG1-CG2 4.14Å
282S82.1Confident85.5Confident69 Ų6964.3 Ų64.348%0.48332%0.315SS..EExtended strand (participates in β ladder)trans-96.8134.6169.8-53.90000110.5E276E276-S282 CarbonylContact O-C 3.56Å; E276-S282 VanDerWaalsContact O-CA 3.22Å; E276-S282 WeakPolarHBondContact O-CA 3.35Å
283T87.6Confident85.1Confident49 Ų4968.7 Ų68.730%0.30133%0.332SS..EExtended strand (participates in β ladder)trans-129.7132.9-174.245.80000111E276 V281E276-T283 PolarHBondContact N-O 2.95Å; E276-T283 PolarHBondContact O-N 3.32Å; V281-T283 HydrophobicContact CG1-CG2 4.14Å
284W88Confident84.8Confident67 Ų6773.8 Ų73.825%0.25436%0.357SS..EExtended strand (participates in β ladder)trans-85.4116173-69.893.6000109.9F273 V274 L275 I330 K332 T348 Q350F273-W284 HydrophobicContact CB-CE3 3.89Å; F273-W284 HydrophobicContact CD1-CB 4.44Å; F273-W284 WeakPolarHBondContact O-CZ3 3.44Å; V274-W284 WeakPolarHBondContact O-CA 3.46Å; L275-W284 HydrophobicContact CB-CD2 4.3Å; L275-W284 HydrophobicContact CB-CE3 4.02Å; L275-W284 HydrophobicContact CB-CH2 3.97Å; L275-W284 HydrophobicContact CB-CZ2 4.22Å; L275-W284 HydrophobicContact CB-CZ3 3.85Å; L275-W284 HydrophobicContact CD1-CD2 4.08Å; L275-W284 HydrophobicContact CD1-CG 4.37Å; L275-W284 HydrophobicContact CD1-CZ2 4.15Å; L275-W284 HydrophobicContact CD2-CZ2 4.25Å; L275-W284 HydrophobicContact CG-CZ2 4.45Å; W284-I330 HydrophobicContact CH2-CD1 3.96Å; W284-I330 HydrophobicContact CZ2-CD1 3.69Å; W284-K332 HydrophobicContact CZ2-CB 3.98Å; W284-K332 HydrophobicContact CZ2-CG 3.64Å; W284-T348 HydrophobicContact CH2-CG2 4.04Å; W284-Q350 HydrophobicContact CE3-CB 4.16Å; W284-Q350 HydrophobicContact CH2-CB 4Å; W284-Q350 HydrophobicContact CZ3-CB 3.58Å
285V87.9Confident84.6Confident32 Ų3278 Ų7819%0.19438%0.384CS..EExtended strand (participates in β ladder)trans-110.2138.3-179.6175.90000109.7F273 V274 E276 Y287F273-V285 CarbonylContact C-O 3.56Å; F273-V285 WeakPolarHBondContact CA-O 3.23Å; V274-V285 PolarHBondContact N-O 2.84Å; V274-V285 PolarHBondContact O-N 3.2Å; E276-V285 HydrophobicContact CG-CG2 4.28Å; E276-V285 VanDerWaalsContact OE1-CG2 3.27Å; E276-V285 WeakPolarHBondContact OE1-CG2 3.44Å; V285-Y287 HydrophobicContact CB-CD2 4.4Å; V285-Y287 HydrophobicContact CB-CE2 3.93Å; V285-Y287 HydrophobicContact CG1-CD2 4.09Å; V285-Y287 HydrophobicContact CG1-CE2 3.67Å
286K90Very high84.6Confident73 Ų7380 Ų8032%0.31739%0.391SS..EExtended strand (participates in β ladder)trans-88.3115.7-176.6-165.2-167-177.4-150.10110.2Y271 F273Y271-K286 HydrophobicContact CD1-CD 4.13Å; Y271-K286 HydrophobicContact CD1-CG 4.24Å; Y271-K286 VanDerWaalsContact CG-CE 3.42Å; F273-K286 HydrophobicContact CD1-CB 3.96Å; F273-K286 HydrophobicContact CD1-CG 4.34Å; F273-K286 HydrophobicContact CE1-CB 3.66Å; F273-K286 HydrophobicContact CE1-CD 4.48Å; F273-K286 HydrophobicContact CE1-CG 3.94Å; F273-K286 HydrophobicContact CE2-CG 4.21Å; F273-K286 HydrophobicContact CZ-CB 4.11Å; F273-K286 HydrophobicContact CZ-CD 4.11Å; F273-K286 HydrophobicContact CZ-CG 3.87Å
287Y89.5Confident84.7Confident12 Ų1281 Ų815%0.04740%0.395CS..EExtended strand (participates in β ladder)trans-109.6145.2174.3-72.4-103.6000110.2Y271 L272 V274 V285 M300 V301 V302 E315Y271-Y287 WeakPolarHBondContact CA-O 3.22Å; L272-Y287 PolarHBondContact N-O 2.99Å; L272-Y287 PolarHBondContact O-N 2.9Å; L272-Y287 VanDerWaalsContact O-O 3.12Å; V274-Y287 HydrophobicContact CB-CD2 3.84Å; V274-Y287 HydrophobicContact CB-CE2 3.91Å; V274-Y287 HydrophobicContact CG2-CD2 3.61Å; V274-Y287 HydrophobicContact CG2-CE2 4.09Å; V274-Y287 HydrophobicContact CG2-CG 4.21Å; V285-Y287 HydrophobicContact CB-CD2 4.4Å; V285-Y287 HydrophobicContact CB-CE2 3.93Å; V285-Y287 HydrophobicContact CG1-CD2 4.09Å; V285-Y287 HydrophobicContact CG1-CE2 3.67Å; Y287-M300 HydrophobicContact CD1-CB 3.62Å; Y287-M300 HydrophobicContact CD1-CG 3.62Å; Y287-M300 HydrophobicContact CD1-SD 3.81Å; Y287-M300 HydrophobicContact CE1-CB 4.34Å; Y287-M300 HydrophobicContact CE1-CG 3.82Å; Y287-M300 HydrophobicContact CE1-SD 3.74Å; Y287-M300 HydrophobicContact CE2-SD 4.49Å; Y287-M300 HydrophobicContact CG-CB 4.1Å; Y287-M300 HydrophobicContact CG-CG 4.36Å; Y287-M300 HydrophobicContact CG-SD 4.19Å; Y287-V301 WeakPolarHBondContact CA-O 3.44Å; Y287-V302 HydrophobicContact CD1-CG2 3.9Å; Y287-V302 HydrophobicContact CE1-CG2 3.41Å; Y287-V302 VanDerWaalsContact CE1-CG2 3.41Å; Y287-V302 HydrophobicContact CE2-CG2 4.47Å; Y287-E315 PolarHBondContact OH-OE1 3.27Å
288Y90.2Very high85.3Confident79 Ų7973.1 Ų73.131%0.3136%0.361SS..EExtended strand (participates in β ladder)trans-84.2125.4156.2-171.7-100.7000107.5E269 Y271 T290 M300 V301E269-Y288 PolarHBondContact OE2-OH 3.38Å; Y271-Y288 HydrophobicContact CD1-CD2 4.01Å; Y271-Y288 HydrophobicContact CD2-CD2 4.27Å; Y271-Y288 AromaticContact CE1-CD2 3.82Å; Y271-Y288 HydrophobicContact CE1-CD2 3.82Å; Y271-Y288 HydrophobicContact CE1-CG 4.32Å; Y271-Y288 HydrophobicContact CE2-CD2 4.07Å; Y271-Y288 HydrophobicContact CG-CD2 4.24Å; Y271-Y288 AromaticContact CZ-CD2 3.83Å; Y288-T290 HydrophobicContact CD1-CG2 4.28Å; Y288-T290 HydrophobicContact CE1-CG2 3.82Å; Y288-M300 CarbonylContact O-C 3.55Å; Y288-M300 WeakPolarHBondContact O-CA 3.35Å; Y288-V301 PolarHBondContact N-O 2.92Å; Y288-V301 PolarHBondContact O-N 3.17Å
289C91.8Very high86.1Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-120146.9-173.1-59.80000110.7E269 G270 L272 F298 A299 W360E269-C289 VanDerWaalsContact CA-O 3.29Å; E269-C289 WeakPolarHBondContact CA-O 3.34Å; G270-C289 PolarHBondContact N-O 3.03Å; G270-C289 PolarHBondContact O-N 3.18Å; L272-C289 HydrophobicContact CD1-CB 4.02Å; L272-C289 HydrophobicContact CG-CB 4.45Å; C289-F298 HydrophobicContact CB-CE1 3.86Å; C289-F298 HydrophobicContact CB-CZ 3.7Å; C289-A299 CarbonylContact C-O 3.48Å; C289-A299 VanDerWaalsContact CA-O 3.25Å; C289-A299 WeakPolarHBondContact CA-O 3.49Å; C289-W360 HydrophobicContact CB-CH2 3.84Å; C289-W360 HydrophobicContact CB-CZ2 4.24Å
290T91.7Very high87.2Confident19 Ų1960.7 Ų60.712%0.11730%0.297CS..EExtended strand (participates in β ladder)trans-135.4149.5173.673.40000110.7E269 Y288 A299E269-T290 HydrophobicContact CB-CG2 3.98Å; Y288-T290 HydrophobicContact CD1-CG2 4.28Å; Y288-T290 HydrophobicContact CE1-CG2 3.82Å; T290-A299 PolarHBondContact N-O 3.46Å; T290-A299 PolarHBondContact O-N 2.71Å
291Y90.5Very high88.3Confident0 Ų051.9 Ų51.90%026%0.261CS..EExtended strand (participates in β ladder)trans-140.3134.7-179.8171.3-99.4000111.8T267 M268 R293 K296 K297 F298 L319 A363 M364T267-Y291 WeakPolarHBondContact CB-O 3.3Å; T267-Y291 HydrophobicContact CG2-CD1 4.42Å; T267-Y291 HydrophobicContact CG2-CE1 4.39Å; T267-Y291 PolarHBondContact N-O 3.48Å; M268-Y291 PolarHBondContact N-O 3.17Å; M268-Y291 PolarHBondContact O-N 3.38Å; Y291-R293 HydrophobicContact CE1-CB 4.29Å; Y291-K296 HydrophobicContact CE2-CB 4.39Å; Y291-K297 WeakPolarHBondContact CA-O 3.25Å; Y291-F298 HydrophobicContact CD2-CB 4.35Å; Y291-F298 HydrophobicContact CD2-CD2 4.08Å; Y291-F298 HydrophobicContact CG-CD2 4.46Å; Y291-L319 HydrophobicContact CD2-CD2 4.48Å; Y291-L319 HydrophobicContact CE2-CB 4.16Å; Y291-L319 HydrophobicContact CE2-CD2 3.57Å; Y291-A363 HydrophobicContact CD1-CB 4.29Å; Y291-A363 HydrophobicContact CE1-CB 4.46Å; Y291-A363 WeakPolarHBondContact CE1-O 3.35Å; Y291-M364 HydrophobicContact CD1-CG 4.07Å; Y291-M364 HydrophobicContact CD2-CG 4.09Å; Y291-M364 HydrophobicContact CD2-SD 4.44Å; Y291-M364 HydrophobicContact CE1-CG 4.05Å; Y291-M364 HydrophobicContact CE2-CG 4.04Å; Y291-M364 HydrophobicContact CG-CG 4.08Å
292H88.8Confident88.8Confident62 Ų6250.2 Ų50.229%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-113.1119.1173.7-64.592.5000109.8H266 E294 K296 K297H266-H292 AromaticContact CD2-CE1 3.17Å; H266-H292 PolarHBondContact CD2-CE1 2.8Å; H266-H292 AromaticContact CD2-ND1 3.77Å; H266-H292 AromaticContact CD2-NE2 3.38Å; H266-H292 PolarHBondContact CD2-NE2 3.44Å; H266-H292 AromaticContact NE2-CE1 3.48Å; H266-H292 PolarHBondContact NE2-CE1 3.2Å; H266-H292 AromaticContact NE2-NE2 3.84Å; H292-E294 PolarHBondContact O-N 3.37Å; H292-K296 CarbonylContact O-C 3.55Å; H292-K296 WeakPolarHBondContact O-CA 3.11Å; H292-K296 PolarHBondContact O-N 3.22Å; H292-K297 PolarHBondContact N-O 2.87Å; H292-K297 PolarHBondContact O-N 3.34Å
293R84.2Confident88.3Confident92 Ų9251.5 Ų51.535%0.34725%0.248SC..THydrogen-bonded Turntrans-53.8-35.7179-179172.9-75-78.20.3113.3T267 Y291 K296 E362 A363 D365T267-R293 HydrophobicContact CG2-CB 3.95Å; T267-R293 WeakPolarHBondContact OG1-CB 3.49Å; T267-R293 PolarHBondContact OG1-N 3.17Å; Y291-R293 HydrophobicContact CE1-CB 4.29Å; R293-K296 WeakPolarHBondContact O-CG 3.49Å; R293-K296 PolarHBondContact O-N 2.84Å; R293-E362 PolarHBondContact NH2-O 3.38Å; R293-A363 PolarHBondContact NH2-O 2.98Å; R293-D365 IonicContact CZ-OD1 3.73Å; R293-D365 IonicContact NH1-OD1 2.9Å; R293-D365 PolarHBondContact NH1-OD1 3.42Å; R293-D365 IonicContact NH1-OD2 2.73Å; R293-D365 IonicContact NH2-OD1 3.61Å
294E85.3Confident87.6Confident171 Ų17152.6 Ų52.680%0.79925%0.252SS*.THydrogen-bonded Turntrans-125.2119.6171.5-66.8175.2-165.800106.6H292H292-E294 PolarHBondContact O-N 3.37Å
295P86.7Confident86.3Confident99 Ų9954.4 Ų54.464%0.64327%0.272SS*.THydrogen-bonded Turncis-9741.110.340.9-37.5000113.7K297P295-K297 VanDerWaalsContact C-N 3.25Å; P295-K297 HydrophobicContact CG-CB 4.4Å; P295-K297 PolarHBondContact O-N 3.18Å
296K90Very high85.3Confident73 Ų7362 Ų6232%0.31730%0.303SS..THydrogen-bonded Turntrans6028.2-172.2-60.3-163.1171.3-1470114.4Y291 H292 R293 F298 I318 L319 D365Y291-K296 HydrophobicContact CE2-CB 4.39Å; H292-K296 CarbonylContact O-C 3.55Å; H292-K296 WeakPolarHBondContact O-CA 3.11Å; H292-K296 PolarHBondContact O-N 3.22Å; R293-K296 WeakPolarHBondContact O-CG 3.49Å; R293-K296 PolarHBondContact O-N 2.84Å; K296-F298 PolarHBondContact O-N 3.46Å; K296-I318 HydrophobicContact CB-CG2 4.44Å; K296-L319 HydrophobicContact CB-CB 4.29Å; K296-L319 WeakPolarHBondContact O-CB 3.34Å; K296-L319 PolarHBondContact O-N 2.77Å; K296-D365 IonicContact NZ-OD2 2.9Å; K296-D365 PolarHBondContact NZ-OD2 3.12Å
297K91.3Very high83.9Confident67 Ų6760.6 Ų60.629%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-72.1125.6173.2-172.5-171.6175-1640109.7Y291 H292 P295 E314 S316 I318Y291-K297 WeakPolarHBondContact CA-O 3.25Å; H292-K297 PolarHBondContact N-O 2.87Å; H292-K297 PolarHBondContact O-N 3.34Å; P295-K297 VanDerWaalsContact C-N 3.25Å; P295-K297 HydrophobicContact CG-CB 4.4Å; P295-K297 PolarHBondContact O-N 3.18Å; K297-E314 IonicContact NZ-OE2 3.84Å; K297-E314 PolarHBondContact NZ-OE2 3.39Å; K297-S316 WeakPolarHBondContact CE-OG 3.49Å; K297-I318 HydrophobicContact CB-CD1 4.11Å; K297-I318 HydrophobicContact CG-CD1 4.43Å
298F92.3Very high82.3Confident0 Ų063.7 Ų63.70%034%0.337CS..EExtended strand (participates in β ladder)trans-105.3139.1165.7-164.8-78.1000108.7L272 C289 Y291 K296 M300 S316 F317 M349 W360 M364L272-F298 HydrophobicContact CD1-CZ 4.01Å; C289-F298 HydrophobicContact CB-CE1 3.86Å; C289-F298 HydrophobicContact CB-CZ 3.7Å; Y291-F298 HydrophobicContact CD2-CB 4.35Å; Y291-F298 HydrophobicContact CD2-CD2 4.08Å; Y291-F298 HydrophobicContact CG-CD2 4.46Å; K296-F298 PolarHBondContact O-N 3.46Å; F298-M300 HydrophobicContact CD1-CE 4.17Å; F298-M300 HydrophobicContact CE1-CB 4.34Å; F298-M300 HydrophobicContact CE1-CE 3.65Å; F298-S316 WeakPolarHBondContact O-CA 3.5Å; F298-S316 WeakPolarHBondContact O-CB 3.27Å; F298-F317 HydrophobicContact CB-CD2 4.05Å; F298-F317 HydrophobicContact CB-CE1 4.34Å; F298-F317 HydrophobicContact CB-CE2 3.62Å; F298-F317 HydrophobicContact CB-CZ 3.79Å; F298-F317 AromaticContact CD1-CE1 3.73Å; F298-F317 HydrophobicContact CD1-CE1 3.73Å; F298-F317 HydrophobicContact CD1-CE2 4.26Å; F298-F317 AromaticContact CD1-CZ 3.51Å; F298-F317 HydrophobicContact CD1-CZ 3.51Å; F298-F317 HydrophobicContact CE1-CE1 4.45Å; F298-F317 HydrophobicContact CE1-CZ 4.23Å; F298-F317 HydrophobicContact CG-CE1 4.29Å; F298-F317 AromaticContact CG-CE2 3.99Å; F298-F317 HydrophobicContact CG-CE2 3.99Å; F298-F317 AromaticContact CG-CZ 3.69Å; F298-F317 HydrophobicContact CG-CZ 3.69Å; F298-F317 PolarHBondContact N-O 2.98Å; F298-F317 PolarHBondContact O-N 2.96Å; F298-M349 HydrophobicContact CE1-CE 3.81Å; F298-M349 HydrophobicContact CE1-SD 4.44Å; F298-M349 HydrophobicContact CE2-CE 4.42Å; F298-M349 HydrophobicContact CE2-SD 4.39Å; F298-M349 HydrophobicContact CZ-CE 3.75Å; F298-M349 HydrophobicContact CZ-SD 3.82Å; F298-W360 HydrophobicContact CE2-CE3 4.24Å; F298-W360 AromaticContact CE2-CZ3 3.77Å; F298-W360 HydrophobicContact CE2-CZ3 3.77Å; F298-W360 HydrophobicContact CZ-CZ3 4.26Å; F298-M364 HydrophobicContact CD2-SD 3.72Å; F298-M364 HydrophobicContact CE2-CE 4.25Å; F298-M364 HydrophobicContact CE2-SD 3.7Å
299A91.3Very high80.6Confident5 Ų562.6 Ų62.64%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-133149.1174.400000110.7C289 T290 E314 E315C289-A299 CarbonylContact C-O 3.48Å; C289-A299 VanDerWaalsContact CA-O 3.25Å; C289-A299 WeakPolarHBondContact CA-O 3.49Å; T290-A299 PolarHBondContact N-O 3.46Å; T290-A299 PolarHBondContact O-N 2.71Å; A299-E314 HydrophobicContact CB-CG 4.11Å; A299-E315 CarbonylContact C-O 3.56Å; A299-E315 WeakPolarHBondContact CA-O 3.1Å
300M90.8Very high78.9Confident5 Ų570.9 Ų70.93%0.02539%0.386CS..EExtended strand (participates in β ladder)trans-143.1137.217865.7177.455.800111.2V274 Y287 Y288 F298 E315 F317 M349V274-M300 HydrophobicContact CG2-CE 3.99Å; V274-M300 HydrophobicContact CG2-SD 4.22Å; Y287-M300 HydrophobicContact CD1-CB 3.62Å; Y287-M300 HydrophobicContact CD1-CG 3.62Å; Y287-M300 HydrophobicContact CD1-SD 3.81Å; Y287-M300 HydrophobicContact CE1-CB 4.34Å; Y287-M300 HydrophobicContact CE1-CG 3.82Å; Y287-M300 HydrophobicContact CE1-SD 3.74Å; Y287-M300 HydrophobicContact CE2-SD 4.49Å; Y287-M300 HydrophobicContact CG-CB 4.1Å; Y287-M300 HydrophobicContact CG-CG 4.36Å; Y287-M300 HydrophobicContact CG-SD 4.19Å; Y288-M300 CarbonylContact O-C 3.55Å; Y288-M300 WeakPolarHBondContact O-CA 3.35Å; F298-M300 HydrophobicContact CD1-CE 4.17Å; F298-M300 HydrophobicContact CE1-CB 4.34Å; F298-M300 HydrophobicContact CE1-CE 3.65Å; M300-E315 HydrophobicContact CG-CB 3.77Å; M300-E315 WeakPolarHBondContact CG-O 3.48Å; M300-E315 PolarHBondContact N-O 3.48Å; M300-E315 PolarHBondContact O-N 3.43Å; M300-F317 HydrophobicContact CE-CE1 3.88Å; M300-M349 HydrophobicContact CE-CE 3.64Å
301V89.8Confident77.4Confident23 Ų2377.8 Ų77.814%0.13942%0.419CS..EExtended strand (participates in β ladder)trans-127.4131.7178.9-175.70000109.1Y287 Y288 F303 M311 E314Y287-V301 WeakPolarHBondContact CA-O 3.44Å; Y288-V301 PolarHBondContact N-O 2.92Å; Y288-V301 PolarHBondContact O-N 3.17Å; V301-F303 PolarHBondContact O-N 2.85Å; V301-M311 HydrophobicContact CG1-CB 4.1Å; V301-M311 HydrophobicContact CG1-CG 4.29Å; V301-E314 HydrophobicContact CG2-CB 4.19Å; V301-E314 HydrophobicContact CG2-CG 4.23Å
302V85.9Confident76.2Confident58 Ų5879.5 Ų79.535%0.35244%0.437SS..EExtended strand (participates in β ladder)trans-68.1129.2174.8-178.50000109.6Y287Y287-V302 HydrophobicContact CD1-CG2 3.9Å; Y287-V302 HydrophobicContact CE1-CG2 3.41Å; Y287-V302 VanDerWaalsContact CE1-CG2 3.41Å; Y287-V302 HydrophobicContact CE2-CG2 4.47Å
303F71.4Confident75.5Confident95 Ų9585.1 Ų85.142%0.41746%0.463SS..  trans-110.7102.4177-176.5-95.5000111.1Y271 V301 P305Y271-F303 HydrophobicContact CE1-CB 4.14Å; Y271-F303 HydrophobicContact CE1-CD1 4.31Å; Y271-F303 HydrophobicContact CE1-CG 4.18Å; V301-F303 PolarHBondContact O-N 2.85Å; F303-P305 HydrophobicContact CD1-CG 4.35Å; F303-P305 HydrophobicContact CE1-CG 3.99Å
304D71.4Confident75.5Confident72 Ų7286 Ų8639%0.38547%0.471SS..  trans-99.4114.4170.5176.919.5000111K306 S307D304-K306 PolarHBondContact O-N 3.41Å; D304-K306 VanDerWaalsContact O-N 3.12Å; D304-K306 WeakPolarHBondContact OD1-CB 3.4Å; D304-K306 PolarHBondContact OD1-N 3.29Å; D304-S307 PolarHBondContact O-N 3.32Å; D304-S307 PolarHBondContact O-OG 3.11Å; D304-S307 PolarHBondContact OD2-N 2.62Å
305P62.6Low75.6Confident105 Ų10581.3 Ų81.368%0.68245%0.449SS*.G310 helixtrans-58.4-21.1173.8-23.133.2000114.6F303F303-P305 HydrophobicContact CD1-CG 4.35Å; F303-P305 HydrophobicContact CE1-CG 3.99Å
306K65.9Low75.8Confident193 Ų19378.5 Ų78.584%0.83943%0.432SS*.G310 helixtrans-86.5-13-178-59.8179.3179.8178.20113.8D304 G308D304-K306 PolarHBondContact O-N 3.41Å; D304-K306 VanDerWaalsContact O-N 3.12Å; D304-K306 WeakPolarHBondContact OD1-CB 3.4Å; D304-K306 PolarHBondContact OD1-N 3.29Å; K306-G308 PolarHBondContact O-N 3.47Å
307S61.2Low75.9Confident42 Ų4275.2 Ų75.229%0.29442%0.418SS..G310 helixtrans-77.3-4.2-177.579.50000114.3D304 G309 K310D304-S307 PolarHBondContact O-N 3.32Å; D304-S307 PolarHBondContact O-OG 3.11Å; D304-S307 PolarHBondContact OD2-N 2.62Å; S307-G309 VanDerWaalsContact C-N 3.3Å; S307-G309 PolarHBondContact OG-N 2.83Å; S307-K310 PolarHBondContact OG-N 2.74Å; S307-K310 PolarHBondContact OG-O 2.66Å
308G55.6Low75.8Confident77 Ų7775.2 Ų75.279%0.79442%0.42SS*.THydrogen-bonded Turntrans73.719-171.900000113.8K306K306-G308 PolarHBondContact O-N 3.47Å
309G54.4Low75.7Confident57 Ų5775.6 Ų75.659%0.58842%0.422SS*.THydrogen-bonded Turntrans86.81317900000114.7S307 M311S307-G309 VanDerWaalsContact C-N 3.3Å; S307-G309 PolarHBondContact OG-N 2.83Å; G309-M311 PolarHBondContact O-N 2.77Å
310K56.6Low75.6Confident173 Ų17380.8 Ų80.875%0.75244%0.444SS*.  trans-62.9117.4164.1-71.1-173.3176.9-175.30108.7S307S307-K310 PolarHBondContact OG-N 2.74Å; S307-K310 PolarHBondContact OG-O 2.66Å
311M60Low75.4Confident165 Ų16582.4 Ų82.481%0.81346%0.455SS*.  trans-56.9136.5167.1-79.4175155.900109.5V301 G309V301-M311 HydrophobicContact CG1-CB 4.1Å; V301-M311 HydrophobicContact CG1-CG 4.29Å; G309-M311 PolarHBondContact O-N 2.77Å
312G65.9Low75.3Confident36 Ų3681.6 Ų81.637%0.37145%0.451SS..  trans-70.2-177.6166.400000111.7E314G312-E314 PolarHBondContact O-N 2.85Å
313E73.4Confident75.4Confident180 Ų18081.9 Ų81.984%0.84145%0.453SS*.  trans-61.2134.8172.6-60.9-178.715300110E315E313-E315 PolarHBondContact O-N 2.88Å
314E83.9Confident75.9Confident110 Ų11081.5 Ų81.551%0.51445%0.449SS..EExtended strand (participates in β ladder)trans-77.8109173.2-178-172.7-83.200109K297 A299 V301 G312K297-E314 IonicContact NZ-OE2 3.84Å; K297-E314 PolarHBondContact NZ-OE2 3.39Å; A299-E314 HydrophobicContact CB-CG 4.11Å; V301-E314 HydrophobicContact CG2-CB 4.19Å; V301-E314 HydrophobicContact CG2-CG 4.23Å; G312-E314 PolarHBondContact O-N 2.85Å
315E87.8Confident76.3Confident72 Ų7280.6 Ų80.634%0.33644%0.44SS..EExtended strand (participates in β ladder)trans-85121.5164.7-75.3-164-113.100109.5Y287 A299 M300 E313 R343Y287-E315 PolarHBondContact OH-OE1 3.27Å; A299-E315 CarbonylContact C-O 3.56Å; A299-E315 WeakPolarHBondContact CA-O 3.1Å; M300-E315 HydrophobicContact CG-CB 3.77Å; M300-E315 WeakPolarHBondContact CG-O 3.48Å; M300-E315 PolarHBondContact N-O 3.48Å; M300-E315 PolarHBondContact O-N 3.43Å; E313-E315 PolarHBondContact O-N 2.88Å; E315-R343 IonicContact OE2-CZ 3.63Å; E315-R343 IonicContact OE2-NH1 3.72Å; E315-R343 PolarHBondContact OE2-NH1 2.7Å; E315-R343 IonicContact OE2-NH2 2.67Å; E315-R343 PolarHBondContact OE2-NH2 3.34Å
316S90.1Very high76.7Confident40 Ų4082.7 Ų82.728%0.2844%0.438SS..EExtended strand (participates in β ladder)trans-129.1162.2170.7560000113K297 F298 R343K297-S316 WeakPolarHBondContact CE-OG 3.49Å; F298-S316 WeakPolarHBondContact O-CA 3.5Å; F298-S316 WeakPolarHBondContact O-CB 3.27Å; S316-R343 PolarHBondContact O-NH2 2.82Å
317F91.6Very high76.6Confident5 Ų578.8 Ų78.82%0.02243%0.431CS..EExtended strand (participates in β ladder)trans-158.6169178.858.2-97.6000110.4F298 M300 V338 A340 D342 R343 I347 M349F298-F317 HydrophobicContact CB-CD2 4.05Å; F298-F317 HydrophobicContact CB-CE1 4.34Å; F298-F317 HydrophobicContact CB-CE2 3.62Å; F298-F317 HydrophobicContact CB-CZ 3.79Å; F298-F317 AromaticContact CD1-CE1 3.73Å; F298-F317 HydrophobicContact CD1-CE1 3.73Å; F298-F317 HydrophobicContact CD1-CE2 4.26Å; F298-F317 AromaticContact CD1-CZ 3.51Å; F298-F317 HydrophobicContact CD1-CZ 3.51Å; F298-F317 HydrophobicContact CE1-CE1 4.45Å; F298-F317 HydrophobicContact CE1-CZ 4.23Å; F298-F317 HydrophobicContact CG-CE1 4.29Å; F298-F317 AromaticContact CG-CE2 3.99Å; F298-F317 HydrophobicContact CG-CE2 3.99Å; F298-F317 AromaticContact CG-CZ 3.69Å; F298-F317 HydrophobicContact CG-CZ 3.69Å; F298-F317 PolarHBondContact N-O 2.98Å; F298-F317 PolarHBondContact O-N 2.96Å; M300-F317 HydrophobicContact CE-CE1 3.88Å; F317-V338 HydrophobicContact CE2-CG1 3.56Å; F317-V338 HydrophobicContact CZ-CG1 3.74Å; F317-A340 HydrophobicContact CB-CB 4.05Å; F317-A340 HydrophobicContact CD2-CB 3.72Å; F317-A340 HydrophobicContact CE2-CB 4.42Å; F317-A340 HydrophobicContact CG-CB 4.04Å; F317-D342 WeakPolarHBondContact CA-OD2 3.37Å; F317-D342 WeakPolarHBondContact CB-OD1 3.48Å; F317-D342 WeakPolarHBondContact CB-OD2 3.37Å; F317-R343 HydrophobicContact CB-CG 4.42Å; F317-I347 HydrophobicContact CD1-CD1 4.14Å; F317-I347 HydrophobicContact CE1-CD1 3.62Å; F317-I347 HydrophobicContact CE2-CD1 4.5Å; F317-I347 HydrophobicContact CZ-CD1 3.84Å; F317-M349 HydrophobicContact CZ-CE 4.07Å
318I90.6Very high76.8Confident66 Ų6685.4 Ų85.434%0.33846%0.457SS..EExtended strand (participates in β ladder)trans-98.7124.4173-55.3-57.1000109.3K296 K297 K320 A340 M341 D342K296-I318 HydrophobicContact CB-CG2 4.44Å; K297-I318 HydrophobicContact CB-CD1 4.11Å; K297-I318 HydrophobicContact CG-CD1 4.43Å; I318-K320 PolarHBondContact O-N 3.28Å; I318-A340 CarbonylContact O-C 3.55Å; I318-A340 WeakPolarHBondContact O-CA 3.44Å; I318-M341 HydrophobicContact CB-CB 4.17Å; I318-M341 HydrophobicContact CB-CG 4.16Å; I318-M341 HydrophobicContact CG2-CB 4.45Å; I318-M341 HydrophobicContact CG2-CG 3.92Å; I318-M341 PolarHBondContact O-N 3.31Å; I318-D342 PolarHBondContact N-OD1 3.26Å
319L90.1Very high77.5Confident8 Ų885.2 Ų85.24%0.04244%0.443CS..EExtended strand (participates in β ladder)trans-66.1123179.5172.371.9000111Y291 K296 S321 C322 V338 M364Y291-L319 HydrophobicContact CD2-CD2 4.48Å; Y291-L319 HydrophobicContact CE2-CB 4.16Å; Y291-L319 HydrophobicContact CE2-CD2 3.57Å; K296-L319 HydrophobicContact CB-CB 4.29Å; K296-L319 WeakPolarHBondContact O-CB 3.34Å; K296-L319 PolarHBondContact O-N 2.77Å; L319-S321 WeakPolarHBondContact CD1-O 3.15Å; L319-C322 HydrophobicContact CD1-CB 4.32Å; L319-V338 HydrophobicContact CD1-CG1 3.71Å; L319-M364 HydrophobicContact CD1-SD 4.35Å; L319-M364 HydrophobicContact CD2-CB 3.59Å; L319-M364 HydrophobicContact CD2-CG 3.73Å; L319-M364 HydrophobicContact CD2-SD 4.1Å
320K88.1Confident78.6Confident115 Ų11583.9 Ų83.950%0.542%0.422SS..EExtended strand (participates in β ladder)trans-94.5-48.4172.1178.1178.4163.2-161.60111.9I318 E339 M341I318-K320 PolarHBondContact O-N 3.28Å; K320-E339 HydrophobicContact CB-CB 4.43Å; K320-E339 HydrophobicContact CB-CG 4.43Å; K320-E339 WeakPolarHBondContact CB-O 3.46Å; K320-E339 HydrophobicContact CD-CG 4.06Å; K320-E339 WeakPolarHBondContact CD-OE2 3.25Å; K320-E339 VanDerWaalsContact CE-CD 3.48Å; K320-E339 WeakPolarHBondContact CE-OE1 3.46Å; K320-E339 WeakPolarHBondContact CE-OE2 3.41Å; K320-E339 PolarHBondContact N-O 2.99Å; K320-E339 VanDerWaalsContact NZ-CD 3.3Å; K320-E339 IonicContact NZ-OE1 3.31Å; K320-E339 PolarHBondContact NZ-OE1 2.91Å; K320-E339 IonicContact NZ-OE2 3.18Å; K320-E339 PolarHBondContact NZ-OE2 3.37Å; K320-M341 HydrophobicContact CB-CG 3.95Å; K320-M341 HydrophobicContact CB-SD 4.02Å; K320-M341 HydrophobicContact CD-SD 4.37Å; K320-M341 HydrophobicContact CG-SD 4.07Å
321S86.8Confident79.5Confident38 Ų3885 Ų8527%0.26643%0.43SS..EExtended strand (participates in β ladder)trans-153.6152.2178.773.30000112.8L319 E339L319-S321 WeakPolarHBondContact CD1-O 3.15Å; S321-E339 PolarHBondContact N-O 3.31Å; S321-E339 PolarHBondContact O-N 3.33Å; S321-E339 VanDerWaalsContact OG-CB 3.26Å; S321-E339 WeakPolarHBondContact OG-CB 3.38Å; S321-E339 PolarHBondContact OG-OE2 3.47Å
322C89.2Confident80.6Confident6 Ų681.8 Ų81.84%0.04141%0.412CS..EExtended strand (participates in β ladder)trans-130.8130.6175.6-170.80000110.1L319 D337 M361 M364 G366L319-C322 HydrophobicContact CD1-CB 4.32Å; C322-D337 WeakPolarHBondContact CA-O 3.34Å; C322-M361 PolarHBondContact SG-SD 2.87Å; C322-M364 HydrophobicContact CB-CB 3.83Å; C322-G366 VanDerWaalsContact O-CA 3.25Å; C322-G366 WeakPolarHBondContact O-CA 3.27Å
323T86.2Confident81.7Confident65 Ų6588.3 Ų88.340%0.39943%0.425SS..EExtended strand (participates in β ladder)trans-141137.1-170.3-38.20000111.7R325 F336 D337T323-R325 PolarHBondContact O-N 3.42Å; T323-F336 WeakPolarHBondContact O-CA 3.46Å; T323-D337 PolarHBondContact N-O 2.88Å; T323-D337 PolarHBondContact O-N 3.46Å
324R83.1Confident82.4Confident86 Ų8681.8 Ų81.833%0.32539%0.394SS..EExtended strand (participates in β ladder)trans-66.5128.7172177.4174.9-171.3157.217.4109.8E354 M361 E368R324-E354 IonicContact CZ-OE1 2.8Å; R324-E354 IonicContact NH1-OE1 2.74Å; R324-E354 IonicContact NH2-OE1 2.78Å; R324-E354 PolarHBondContact NH2-OE1 3.17Å; R324-E354 IonicContact NH2-OE2 3.43Å; R324-M361 HydrophobicContact CB-CE 4.1Å; R324-E368 HydrophobicContact CB-CG 4.26Å; R324-E368 WeakPolarHBondContact CD-OE1 3.4Å; R324-E368 IonicContact CZ-OE1 3.47Å; R324-E368 IonicContact NE-OE1 2.71Å; R324-E368 IonicContact NH1-OE1 2.71Å; R324-E368 PolarHBondContact NH1-OE1 2.93Å; R324-E368 IonicContact NH1-OE2 3.32Å
325R80.2Confident82.7Confident53 Ų5376.9 Ų76.920%0.237%0.372CS..PPolyproline II helixtrans-78.3136.5169.4-178.8164.8-74.2-1661.8109.7T323 S329 I330 C335 D337 T348T323-R325 PolarHBondContact O-N 3.42Å; R325-S329 WeakPolarHBondContact CG-OG 3.35Å; R325-I330 HydrophobicContact CG-CG2 3.98Å; R325-C335 HydrophobicContact CB-CB 4.4Å; R325-C335 PolarHBondContact N-O 2.92Å; R325-D337 IonicContact CZ-OD1 3.2Å; R325-D337 VanDerWaalsContact CZ-OD1 3.31Å; R325-D337 IonicContact CZ-OD2 2.7Å; R325-D337 IonicContact NE-OD1 3.69Å; R325-D337 PolarHBondContact NE-OD1 3.09Å; R325-D337 IonicContact NE-OD2 2.79Å; R325-D337 PolarHBondContact NE-OD2 3.31Å; R325-D337 IonicContact NH2-OD1 3.37Å; R325-D337 PolarHBondContact NH2-OD1 3.43Å; R325-D337 IonicContact NH2-OD2 3.19Å; R325-D337 PolarHBondContact NH2-OD2 3.17Å; R325-T348 PolarHBondContact NH1-OG1 3.15Å; R325-T348 PolarHBondContact NH2-OG1 2.9Å
326K71.3Confident82.8Confident150 Ų15073.4 Ų73.465%0.65236%0.356SS*.PPolyproline II helixtrans-65.9136176.3-67.8-172.3176.8-172.10110.4E328 S329K326-E328 PolarHBondContact O-N 2.87Å; K326-E328 VanDerWaalsContact O-N 3.16Å; K326-S329 PolarHBondContact O-N 2.93Å; K326-S329 PolarHBondContact O-OG 2.93Å
327T63.2Low82.8Confident110 Ų11072.6 Ų72.668%0.67535%0.348SS*.G310 helixtrans-56.3-33.2179.6-41.20000112.9S329 I330T327-S329 PolarHBondContact O-N 3.21Å; T327-I330 VanDerWaalsContact O-O 3.07Å
328E64.1Low82.8Confident182 Ų18272.3 Ų72.385%0.8535%0.347SS*.G310 helixtrans-68.3-15.2177-63.4160.5174.700113.9K326K326-E328 PolarHBondContact O-N 2.87Å; K326-E328 VanDerWaalsContact O-N 3.16Å
329S71.6Confident82.8Confident72 Ų7272 Ų7250%0.50334%0.344SS..G310 helixtrans-103.1-0-174.566.80000114.5R325 K326 T327R325-S329 WeakPolarHBondContact CG-OG 3.35Å; K326-S329 PolarHBondContact O-N 2.93Å; K326-S329 PolarHBondContact O-OG 2.93Å; T327-S329 PolarHBondContact O-N 3.21Å
330I78Confident82.7Confident29 Ų2971.9 Ų71.915%0.14934%0.344CS..  trans-159.3135.6174.3-162.4166.2000111.7W284 R325 T327 K332 C335 T348W284-I330 HydrophobicContact CH2-CD1 3.96Å; W284-I330 HydrophobicContact CZ2-CD1 3.69Å; R325-I330 HydrophobicContact CG-CG2 3.98Å; T327-I330 VanDerWaalsContact O-O 3.07Å; I330-K332 HydrophobicContact CG1-CB 4.39Å; I330-K332 PolarHBondContact O-N 3.32Å; I330-K332 VanDerWaalsContact O-N 3.15Å; I330-C335 HydrophobicContact CG2-CB 3.86Å; I330-T348 HydrophobicContact CD1-CG2 3.93Å
331E75.1Confident82.6Confident197 Ų19772.8 Ų72.892%0.92135%0.352SS*.SBendtrans-67.7-12.5-179.7-58.3-179.6156.900114.2
332K83.3Confident82.3Confident97 Ų9775.2 Ų75.242%0.42236%0.362SS..SBendtrans-92.2131.1-176.1-66.1-60.3-174.3-175.90111.1W284 I330 C335W284-K332 HydrophobicContact CZ2-CB 3.98Å; W284-K332 HydrophobicContact CZ2-CG 3.64Å; I330-K332 HydrophobicContact CG1-CB 4.39Å; I330-K332 PolarHBondContact O-N 3.32Å; I330-K332 VanDerWaalsContact O-N 3.15Å; K332-C335 VanDerWaalsContact CB-SG 3.58Å; K332-C335 PolarHBondContact O-SG 3.25Å; K332-C335 VanDerWaalsContact O-SG 3.39Å
333R87.1Confident82Confident174 Ų17479 Ų7966%0.65738%0.375SS*.THydrogen-bonded Turntrans-69.1153.6175-65.9-179.365.3174.12.5111.1C335 Q350R333-C335 VanDerWaalsContact C-N 3.3Å; R333-C335 PolarHBondContact O-N 3.29Å; R333-Q350 WeakPolarHBondContact O-CG 3.38Å; R333-Q350 PolarHBondContact O-NE2 3.45Å
334F89.6Confident81.2Confident43 Ų4386 Ų8619%0.18940%0.403CS..THydrogen-bonded Turntrans65.326.1171.1-36.9-48000115.1A351 L352 E354 R357F334-A351 HydrophobicContact CB-CB 4.25Å; F334-A351 PolarHBondContact O-N 3.33Å; F334-A351 VanDerWaalsContact O-N 3.13Å; F334-L352 WeakPolarHBondContact CE2-O 3.39Å; F334-E354 HydrophobicContact CD1-CB 3.75Å; F334-E354 VanDerWaalsContact CD1-N 3.31Å; F334-E354 HydrophobicContact CE1-CB 3.72Å; F334-R357 HydrophobicContact CB-CB 4.34Å
335C89.1Confident81Confident6 Ų684 Ų844%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-82.9146.8-179.8-68.80000114.3R325 I330 K332 R333 M349R325-C335 HydrophobicContact CB-CB 4.4Å; R325-C335 PolarHBondContact N-O 2.92Å; I330-C335 HydrophobicContact CG2-CB 3.86Å; K332-C335 VanDerWaalsContact CB-SG 3.58Å; K332-C335 PolarHBondContact O-SG 3.25Å; K332-C335 VanDerWaalsContact O-SG 3.39Å; R333-C335 VanDerWaalsContact C-N 3.3Å; R333-C335 PolarHBondContact O-N 3.29Å; C335-M349 CarbonylContact C-O 3.55Å; C335-M349 WeakPolarHBondContact CA-O 3.45Å
336F90.8Very high81.2Confident0 Ų086.9 Ų86.90%043%0.428CS..EExtended strand (participates in β ladder)trans-144.9163.5172.462.9-83.9000109.9L272 T323 V338 M349 A351 R357 W360 M361 M364L272-F336 HydrophobicContact CD1-CZ 3.89Å; L272-F336 HydrophobicContact CD2-CE1 4.03Å; L272-F336 HydrophobicContact CD2-CZ 4.07Å; T323-F336 WeakPolarHBondContact O-CA 3.46Å; F336-V338 HydrophobicContact CD2-CG2 3.89Å; F336-V338 HydrophobicContact CE2-CG2 3.69Å; F336-M349 HydrophobicContact CD1-CB 4.32Å; F336-M349 HydrophobicContact CD2-CB 4.23Å; F336-M349 HydrophobicContact CE1-CB 3.87Å; F336-M349 HydrophobicContact CE2-CB 3.73Å; F336-M349 HydrophobicContact CE2-CG 4.17Å; F336-M349 HydrophobicContact CE2-SD 3.72Å; F336-M349 HydrophobicContact CZ-CB 3.56Å; F336-M349 HydrophobicContact CZ-CG 4.31Å; F336-M349 HydrophobicContact CZ-SD 3.91Å; F336-M349 PolarHBondContact N-O 2.9Å; F336-M349 PolarHBondContact O-N 3.49Å; F336-A351 HydrophobicContact CE1-CB 4.26Å; F336-R357 HydrophobicContact CD1-CG 3.98Å; F336-W360 HydrophobicContact CE1-CB 4.42Å; F336-W360 HydrophobicContact CZ-CB 4.16Å; F336-W360 HydrophobicContact CZ-CG 4.47Å; F336-M361 HydrophobicContact CB-SD 3.94Å; F336-M361 HydrophobicContact CG-SD 4.49Å; F336-M364 HydrophobicContact CD2-CE 4.36Å; F336-M364 HydrophobicContact CE2-CE 3.58Å; F336-M364 HydrophobicContact CZ-CE 4.15Å
337D90.1Very high82.1Confident22 Ų2281.2 Ų81.212%0.11841%0.405CS..EExtended strand (participates in β ladder)trans-118.9129.7-175.9-81.4-37.9000110.5C322 T323 R325 I346 T348C322-D337 WeakPolarHBondContact CA-O 3.34Å; T323-D337 PolarHBondContact N-O 2.88Å; T323-D337 PolarHBondContact O-N 3.46Å; R325-D337 IonicContact CZ-OD1 3.2Å; R325-D337 VanDerWaalsContact CZ-OD1 3.31Å; R325-D337 IonicContact CZ-OD2 2.7Å; R325-D337 IonicContact NE-OD1 3.69Å; R325-D337 PolarHBondContact NE-OD1 3.09Å; R325-D337 IonicContact NE-OD2 2.79Å; R325-D337 PolarHBondContact NE-OD2 3.31Å; R325-D337 IonicContact NH2-OD1 3.37Å; R325-D337 PolarHBondContact NH2-OD1 3.43Å; R325-D337 IonicContact NH2-OD2 3.19Å; R325-D337 PolarHBondContact NH2-OD2 3.17Å; D337-I346 HydrophobicContact CB-CG2 3.54Å; D337-I346 VanDerWaalsContact CG-CG2 3.45Å; D337-I346 WeakPolarHBondContact OD1-CG2 3.17Å; D337-T348 WeakPolarHBondContact OD1-CA 3.39Å; D337-T348 VanDerWaalsContact OD1-CB 3.31Å; D337-T348 WeakPolarHBondContact OD1-CB 3.2Å; D337-T348 PolarHBondContact OD1-OG1 3.01Å
338V91.6Very high83.4Confident0 Ų076.3 Ų76.30%037%0.374CS..EExtended strand (participates in β ladder)trans-113.1133.9178.2170.10000109.5F317 L319 F336 I347 M349 M364F317-V338 HydrophobicContact CE2-CG1 3.56Å; F317-V338 HydrophobicContact CZ-CG1 3.74Å; L319-V338 HydrophobicContact CD1-CG1 3.71Å; F336-V338 HydrophobicContact CD2-CG2 3.89Å; F336-V338 HydrophobicContact CE2-CG2 3.69Å; V338-I347 HydrophobicContact CB-CB 4.45Å; V338-I347 PolarHBondContact N-O 3.25Å; V338-I347 PolarHBondContact O-N 3.35Å; V338-M349 HydrophobicContact CB-CE 4.04Å; V338-M349 HydrophobicContact CB-SD 4.48Å; V338-M349 HydrophobicContact CG1-CE 4.3Å; V338-M349 HydrophobicContact CG2-CE 4.02Å; V338-M349 HydrophobicContact CG2-SD 3.88Å; V338-M364 HydrophobicContact CG2-CE 4.31Å; V338-M364 HydrophobicContact CG2-SD 4.4Å
339E89.8Confident84.8Confident59 Ų5967.6 Ų67.628%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-111.3136.1173-165.3-170.9-163.600109.3K320 S321K320-E339 HydrophobicContact CB-CB 4.43Å; K320-E339 HydrophobicContact CB-CG 4.43Å; K320-E339 WeakPolarHBondContact CB-O 3.46Å; K320-E339 HydrophobicContact CD-CG 4.06Å; K320-E339 WeakPolarHBondContact CD-OE2 3.25Å; K320-E339 VanDerWaalsContact CE-CD 3.48Å; K320-E339 WeakPolarHBondContact CE-OE1 3.46Å; K320-E339 WeakPolarHBondContact CE-OE2 3.41Å; K320-E339 PolarHBondContact N-O 2.99Å; K320-E339 VanDerWaalsContact NZ-CD 3.3Å; K320-E339 IonicContact NZ-OE1 3.31Å; K320-E339 PolarHBondContact NZ-OE1 2.91Å; K320-E339 IonicContact NZ-OE2 3.18Å; K320-E339 PolarHBondContact NZ-OE2 3.37Å; S321-E339 PolarHBondContact N-O 3.31Å; S321-E339 PolarHBondContact O-N 3.33Å; S321-E339 VanDerWaalsContact OG-CB 3.26Å; S321-E339 WeakPolarHBondContact OG-CB 3.38Å; S321-E339 PolarHBondContact OG-OE2 3.47Å
340A89.4Confident85.8Confident6 Ų665.8 Ų65.85%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-97.4158.7176.400000111.9F317 I318 R343F317-A340 HydrophobicContact CB-CB 4.05Å; F317-A340 HydrophobicContact CD2-CB 3.72Å; F317-A340 HydrophobicContact CE2-CB 4.42Å; F317-A340 HydrophobicContact CG-CB 4.04Å; I318-A340 CarbonylContact O-C 3.55Å; I318-A340 WeakPolarHBondContact O-CA 3.44Å; A340-R343 HydrophobicContact CB-CB 3.91Å; A340-R343 HydrophobicContact CB-CG 4.14Å
341M84.9Confident86.5Confident133 Ų13364.5 Ų64.566%0.65531%0.311SS*.SBendtrans-76-37.4168.4-69.8-78.2-77.500111.5I318 K320I318-M341 HydrophobicContact CB-CB 4.17Å; I318-M341 HydrophobicContact CB-CG 4.16Å; I318-M341 HydrophobicContact CG2-CB 4.45Å; I318-M341 HydrophobicContact CG2-CG 3.92Å; I318-M341 PolarHBondContact O-N 3.31Å; K320-M341 HydrophobicContact CB-CG 3.95Å; K320-M341 HydrophobicContact CB-SD 4.02Å; K320-M341 HydrophobicContact CD-SD 4.37Å; K320-M341 HydrophobicContact CG-SD 4.07Å
342D81.4Confident87.2Confident90 Ų9059.8 Ų59.848%0.48129%0.291SS..SBendtrans-103.7-3.8-166.153.2-67.7000114.1F317 I318F317-D342 WeakPolarHBondContact CA-OD2 3.37Å; F317-D342 WeakPolarHBondContact CB-OD1 3.48Å; F317-D342 WeakPolarHBondContact CB-OD2 3.37Å; I318-D342 PolarHBondContact N-OD1 3.26Å
343R82.3Confident87.4Confident85 Ų8556.9 Ų56.932%0.32128%0.284SS..SBendtrans-129.9134.8179.5-48.9-177.9178.4-154.72.3111.1E315 S316 F317 A340 G345E315-R343 IonicContact OE2-CZ 3.63Å; E315-R343 IonicContact OE2-NH1 3.72Å; E315-R343 PolarHBondContact OE2-NH1 2.7Å; E315-R343 IonicContact OE2-NH2 2.67Å; E315-R343 PolarHBondContact OE2-NH2 3.34Å; S316-R343 PolarHBondContact O-NH2 2.82Å; F317-R343 HydrophobicContact CB-CG 4.42Å; A340-R343 HydrophobicContact CB-CB 3.91Å; A340-R343 HydrophobicContact CB-CG 4.14Å; R343-G345 PolarHBondContact O-N 3.47Å
344Q69.6Low87.3Confident211 Ų21152 Ų5299%0.98627%0.268SS*.SBendtrans-83.1105.5174.1-69.9-173.3-0.600110.9
345G77.6Confident87Confident45 Ų4554.2 Ų54.246%0.46428%0.279SS..SBendtrans152.4165.917300000113.2R343R343-G345 PolarHBondContact O-N 3.47Å
346I84.8Confident86.8Confident114 Ų11456 Ų5659%0.58529%0.288SS*.EExtended strand (participates in β ladder)trans-98.2120.4171.1-61175.2000108.1D337D337-I346 HydrophobicContact CB-CG2 3.54Å; D337-I346 VanDerWaalsContact CG-CG2 3.45Å; D337-I346 WeakPolarHBondContact OD1-CG2 3.17Å
347I90.3Very high86.7Confident31 Ų3156.3 Ų56.316%0.15929%0.289CS..EExtended strand (participates in β ladder)trans-89.7106.6175.7-54.7174.9000107.7V274 F317 V338 M349V274-I347 HydrophobicContact CG1-CG2 3.72Å; F317-I347 HydrophobicContact CD1-CD1 4.14Å; F317-I347 HydrophobicContact CE1-CD1 3.62Å; F317-I347 HydrophobicContact CE2-CD1 4.5Å; F317-I347 HydrophobicContact CZ-CD1 3.84Å; V338-I347 HydrophobicContact CB-CB 4.45Å; V338-I347 PolarHBondContact N-O 3.25Å; V338-I347 PolarHBondContact O-N 3.35Å; I347-M349 HydrophobicContact CB-CE 4.35Å; I347-M349 HydrophobicContact CG2-CE 3.64Å; I347-M349 HydrophobicContact CG2-CG 4.21Å
348T90.7Very high86.5Confident6 Ų661 Ų614%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-83.5125.4176.2-56.20000110.3L275 W284 R325 I330 D337L275-T348 HydrophobicContact CD2-CG2 4.42Å; L275-T348 PolarHBondContact N-O 3.41Å; W284-T348 HydrophobicContact CH2-CG2 4.04Å; R325-T348 PolarHBondContact NH1-OG1 3.15Å; R325-T348 PolarHBondContact NH2-OG1 2.9Å; I330-T348 HydrophobicContact CD1-CG2 3.93Å; D337-T348 WeakPolarHBondContact OD1-CA 3.39Å; D337-T348 VanDerWaalsContact OD1-CB 3.31Å; D337-T348 WeakPolarHBondContact OD1-CB 3.2Å; D337-T348 PolarHBondContact OD1-OG1 3.01Å
349M93.3Very high86.2Confident0 Ų063.5 Ų63.50%032%0.318CS..EExtended strand (participates in β ladder)trans-118.5154.6-179-58.8-173.1-179.200110.8L272 F273 V274 F298 M300 F317 C335 F336 V338 I347L272-M349 HydrophobicContact CD1-SD 3.8Å; F273-M349 CarbonylContact O-C 3.5Å; F273-M349 WeakPolarHBondContact O-CA 3.45Å; V274-M349 HydrophobicContact CG2-CG 4.43Å; F298-M349 HydrophobicContact CE1-CE 3.81Å; F298-M349 HydrophobicContact CE1-SD 4.44Å; F298-M349 HydrophobicContact CE2-CE 4.42Å; F298-M349 HydrophobicContact CE2-SD 4.39Å; F298-M349 HydrophobicContact CZ-CE 3.75Å; F298-M349 HydrophobicContact CZ-SD 3.82Å; M300-M349 HydrophobicContact CE-CE 3.64Å; F317-M349 HydrophobicContact CZ-CE 4.07Å; C335-M349 CarbonylContact C-O 3.55Å; C335-M349 WeakPolarHBondContact CA-O 3.45Å; F336-M349 HydrophobicContact CD1-CB 4.32Å; F336-M349 HydrophobicContact CD2-CB 4.23Å; F336-M349 HydrophobicContact CE1-CB 3.87Å; F336-M349 HydrophobicContact CE2-CB 3.73Å; F336-M349 HydrophobicContact CE2-CG 4.17Å; F336-M349 HydrophobicContact CE2-SD 3.72Å; F336-M349 HydrophobicContact CZ-CB 3.56Å; F336-M349 HydrophobicContact CZ-CG 4.31Å; F336-M349 HydrophobicContact CZ-SD 3.91Å; F336-M349 PolarHBondContact N-O 2.9Å; F336-M349 PolarHBondContact O-N 3.49Å; V338-M349 HydrophobicContact CB-CE 4.04Å; V338-M349 HydrophobicContact CB-SD 4.48Å; V338-M349 HydrophobicContact CG1-CE 4.3Å; V338-M349 HydrophobicContact CG2-CE 4.02Å; V338-M349 HydrophobicContact CG2-SD 3.88Å; I347-M349 HydrophobicContact CB-CE 4.35Å; I347-M349 HydrophobicContact CG2-CE 3.64Å; I347-M349 HydrophobicContact CG2-CG 4.21Å
350Q92.9Very high86.1Confident34 Ų3460.9 Ų60.916%0.15931%0.306CS..EExtended strand (participates in β ladder)trans-126.2123.9173.9168169.844.200109.3F273 W284 R333F273-Q350 HydrophobicContact CB-CB 4.18Å; F273-Q350 PolarHBondContact N-O 3.42Å; F273-Q350 PolarHBondContact O-N 3.46Å; W284-Q350 HydrophobicContact CE3-CB 4.16Å; W284-Q350 HydrophobicContact CH2-CB 4Å; W284-Q350 HydrophobicContact CZ3-CB 3.58Å; R333-Q350 WeakPolarHBondContact O-CG 3.38Å; R333-Q350 PolarHBondContact O-NE2 3.45Å
351A92.1Very high86Confident2 Ų260.8 Ų60.82%0.01731%0.305CS..  trans-82.1164.8170.600000112L272 F334 F336 D356 R357L272-A351 HydrophobicContact CD2-CB 4.11Å; F334-A351 HydrophobicContact CB-CB 4.25Å; F334-A351 PolarHBondContact O-N 3.33Å; F334-A351 VanDerWaalsContact O-N 3.13Å; F336-A351 HydrophobicContact CE1-CB 4.26Å; A351-D356 HydrophobicContact CB-CB 3.95Å; A351-R357 HydrophobicContact CB-CB 3.9Å
352L90.4Very high86Confident97 Ų9760.4 Ų60.451%0.50830%0.301SS..SBendtrans-75.4-31.1-179.9-53.4-179000112.5F273 F334F273-L352 HydrophobicContact CD2-CD2 4.29Å; F273-L352 HydrophobicContact CE2-CD2 3.94Å; F334-L352 WeakPolarHBondContact CE2-O 3.39Å
353S87.4Confident86.2Confident37 Ų3756.5 Ų56.526%0.25928%0.281SS..SBendtrans-141.2170.2177.373.10000112.2E355 D356 R357S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 3.47Å; S353-E355 PolarHBondContact OG-N 3.35Å; S353-D356 WeakPolarHBondContact CB-OD2 3.42Å; S353-D356 PolarHBondContact N-OD2 3.49Å; S353-D356 PolarHBondContact O-N 3.17Å; S353-D356 PolarHBondContact OG-N 3.49Å; S353-D356 PolarHBondContact OG-OD2 3.35Å; S353-R357 PolarHBondContact O-N 3.02Å
354E84.7Confident86.6Confident70 Ų7052.6 Ų52.633%0.32727%0.267SS..Hα-helixtrans-67.8-29172.8-174.769.1170.700111.7R324 F334 R357 R358R324-E354 IonicContact CZ-OE1 2.8Å; R324-E354 IonicContact NH1-OE1 2.74Å; R324-E354 IonicContact NH2-OE1 2.78Å; R324-E354 PolarHBondContact NH2-OE1 3.17Å; R324-E354 IonicContact NH2-OE2 3.43Å; F334-E354 HydrophobicContact CD1-CB 3.75Å; F334-E354 VanDerWaalsContact CD1-N 3.31Å; F334-E354 HydrophobicContact CE1-CB 3.72Å; E354-R357 VanDerWaalsContact CD-NH2 3.34Å; E354-R357 IonicContact OE1-CZ 3.41Å; E354-R357 IonicContact OE1-NE 2.66Å; E354-R357 PolarHBondContact OE1-NE 3.5Å; E354-R357 IonicContact OE1-NH2 3.43Å; E354-R357 PolarHBondContact OE1-NH2 3.37Å; E354-R357 IonicContact OE2-CZ 3.83Å; E354-R357 IonicContact OE2-NE 2.66Å; E354-R357 PolarHBondContact OE2-NE 2.89Å; E354-R357 IonicContact OE2-NH2 3.71Å; E354-R358 WeakPolarHBondContact O-CB 3.42Å; E354-R358 PolarHBondContact O-N 3.46Å
355E83.3Confident87.2Confident90 Ų9046.5 Ų46.542%0.42124%0.241SC..Hα-helixtrans-70.5-46.2173.8174.1152.9-10100111.3S353 R357 R358 L359S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 3.47Å; S353-E355 PolarHBondContact OG-N 3.35Å; E355-R357 VanDerWaalsContact C-N 3.28Å; E355-R357 PolarHBondContact O-N 3.1Å; E355-R358 WeakPolarHBondContact O-CB 3.46Å; E355-R358 PolarHBondContact O-N 2.84Å; E355-R358 VanDerWaalsContact O-N 3.13Å; E355-R358 IonicContact OE1-CZ 3.91Å; E355-R358 IonicContact OE1-NH2 3.25Å; E355-R358 PolarHBondContact OE1-NH2 3.2Å; E355-L359 HydrophobicContact CG-CD1 4.06Å; E355-L359 HydrophobicContact CG-CG 4.5Å; E355-L359 WeakPolarHBondContact O-CG 3.44Å; E355-L359 PolarHBondContact O-N 2.94Å
356D85.9Confident87.2Confident43 Ų4345.1 Ų45.123%0.2323%0.227CC..Hα-helixtrans-59-42.2172.6-63.6-59.3000110.7A351 S353 R358 L359 W360A351-D356 HydrophobicContact CB-CB 3.95Å; S353-D356 WeakPolarHBondContact CB-OD2 3.42Å; S353-D356 PolarHBondContact N-OD2 3.49Å; S353-D356 PolarHBondContact O-N 3.17Å; S353-D356 PolarHBondContact OG-N 3.49Å; S353-D356 PolarHBondContact OG-OD2 3.35Å; D356-R358 VanDerWaalsContact C-N 3.33Å; D356-R358 PolarHBondContact O-N 3.22Å; D356-L359 PolarHBondContact O-N 2.67Å; D356-W360 WeakPolarHBondContact O-CB 3.37Å; D356-W360 PolarHBondContact O-N 2.99Å
357R88.6Confident86.4Confident7 Ų749.9 Ų49.93%0.02624%0.238CC..Hα-helixtrans-58.8-44.8175.2-169.3-166.861.272.81111.4F334 F336 A351 S353 E354 E355 M361 E368F334-R357 HydrophobicContact CB-CB 4.34Å; F336-R357 HydrophobicContact CD1-CG 3.98Å; A351-R357 HydrophobicContact CB-CB 3.9Å; S353-R357 PolarHBondContact O-N 3.02Å; E354-R357 VanDerWaalsContact CD-NH2 3.34Å; E354-R357 IonicContact OE1-CZ 3.41Å; E354-R357 IonicContact OE1-NE 2.66Å; E354-R357 PolarHBondContact OE1-NE 3.5Å; E354-R357 IonicContact OE1-NH2 3.43Å; E354-R357 PolarHBondContact OE1-NH2 3.37Å; E354-R357 IonicContact OE2-CZ 3.83Å; E354-R357 IonicContact OE2-NE 2.66Å; E354-R357 PolarHBondContact OE2-NE 2.89Å; E354-R357 IonicContact OE2-NH2 3.71Å; E355-R357 VanDerWaalsContact C-N 3.28Å; E355-R357 PolarHBondContact O-N 3.1Å; R357-M361 HydrophobicContact CG-CG 4.48Å; R357-M361 VanDerWaalsContact O-CB 3.31Å; R357-M361 WeakPolarHBondContact O-CB 3.45Å; R357-M361 WeakPolarHBondContact O-CG 3.32Å; R357-M361 PolarHBondContact O-N 3.1Å; R357-E368 IonicContact CZ-OE2 3.46Å; R357-E368 IonicContact NH1-OE2 2.71Å; R357-E368 PolarHBondContact NH1-OE2 2.88Å; R357-E368 IonicContact NH2-OE2 2.72Å; R357-E368 PolarHBondContact NH2-OE2 2.93Å
358R84.6Confident84.7Confident122 Ų12252.2 Ų52.246%0.4625%0.248SC..Hα-helixtrans-60.9-49.1177-175-176.167.9-146.1-8.8110.8E354 E355 D356 M361 E362E354-R358 WeakPolarHBondContact O-CB 3.42Å; E354-R358 PolarHBondContact O-N 3.46Å; E355-R358 WeakPolarHBondContact O-CB 3.46Å; E355-R358 PolarHBondContact O-N 2.84Å; E355-R358 VanDerWaalsContact O-N 3.13Å; E355-R358 IonicContact OE1-CZ 3.91Å; E355-R358 IonicContact OE1-NH2 3.25Å; E355-R358 PolarHBondContact OE1-NH2 3.2Å; D356-R358 VanDerWaalsContact C-N 3.33Å; D356-R358 PolarHBondContact O-N 3.22Å; R358-M361 WeakPolarHBondContact O-CB 3.37Å; R358-M361 PolarHBondContact O-N 3.06Å; R358-E362 VanDerWaalsContact O-CB 3.27Å; R358-E362 WeakPolarHBondContact O-CB 3.32Å; R358-E362 PolarHBondContact O-N 3.28Å
359L85.4Confident82.2Confident51 Ų5157.4 Ų57.427%0.26728%0.282SS..Hα-helixtrans-64-43.1-179.6-67.8171.1000112.6M268 E355 D356 E362 A363M268-L359 HydrophobicContact CE-CB 3.76Å; M268-L359 HydrophobicContact SD-CB 4.33Å; E355-L359 HydrophobicContact CG-CD1 4.06Å; E355-L359 HydrophobicContact CG-CG 4.5Å; E355-L359 WeakPolarHBondContact O-CG 3.44Å; E355-L359 PolarHBondContact O-N 2.94Å; D356-L359 PolarHBondContact O-N 2.67Å; L359-E362 PolarHBondContact O-N 2.63Å; L359-A363 WeakPolarHBondContact O-CB 3.23Å; L359-A363 PolarHBondContact O-N 3.39Å
360W89.2Confident79.4Confident4 Ų463 Ų632%0.01532%0.316CS..Hα-helixtrans-62.9-43.7173.9-84.1107.7000111.9M268 L272 C289 F298 F336 D356 M364M268-W360 HydrophobicContact CB-CD2 4.44Å; M268-W360 HydrophobicContact CB-CE3 3.99Å; M268-W360 HydrophobicContact CB-CH2 4.35Å; M268-W360 HydrophobicContact CB-CZ3 3.94Å; M268-W360 HydrophobicContact CE-CD2 4.18Å; M268-W360 HydrophobicContact CE-CG 4.02Å; M268-W360 HydrophobicContact CG-CD2 3.47Å; M268-W360 VanDerWaalsContact CG-CD2 3.47Å; M268-W360 HydrophobicContact CG-CE3 3.51Å; M268-W360 HydrophobicContact CG-CG 4.09Å; M268-W360 HydrophobicContact CG-CH2 3.94Å; M268-W360 HydrophobicContact CG-CZ2 3.9Å; M268-W360 HydrophobicContact CG-CZ3 3.75Å; L272-W360 HydrophobicContact CD1-CD2 4.06Å; L272-W360 HydrophobicContact CD1-CE3 4.35Å; L272-W360 HydrophobicContact CD1-CH2 4.3Å; L272-W360 HydrophobicContact CD1-CZ2 4.01Å; L272-W360 HydrophobicContact CD1-CZ3 4.46Å; L272-W360 HydrophobicContact CD2-CD2 4.47Å; L272-W360 HydrophobicContact CD2-CG 4.34Å; L272-W360 HydrophobicContact CG-CZ2 4.16Å; C289-W360 HydrophobicContact CB-CH2 3.84Å; C289-W360 HydrophobicContact CB-CZ2 4.24Å; F298-W360 HydrophobicContact CE2-CE3 4.24Å; F298-W360 AromaticContact CE2-CZ3 3.77Å; F298-W360 HydrophobicContact CE2-CZ3 3.77Å; F298-W360 HydrophobicContact CZ-CZ3 4.26Å; F336-W360 HydrophobicContact CE1-CB 4.42Å; F336-W360 HydrophobicContact CZ-CB 4.16Å; F336-W360 HydrophobicContact CZ-CG 4.47Å; D356-W360 WeakPolarHBondContact O-CB 3.37Å; D356-W360 PolarHBondContact O-N 2.99Å; W360-M364 HydrophobicContact CB-CE 4.07Å; W360-M364 HydrophobicContact CE3-CE 3.88Å; W360-M364 WeakPolarHBondContact O-CB 3.41Å; W360-M364 VanDerWaalsContact O-CE 3.24Å; W360-M364 WeakPolarHBondContact O-CE 3.4Å; W360-M364 WeakPolarHBondContact O-CG 3.38Å; W360-M364 PolarHBondContact O-N 3.02Å
361M87.2Confident76.6Confident5 Ų571.7 Ų71.73%0.02535%0.349CS..Hα-helixtrans-60.7-47.2174.6-75.9-78.3-63.600111.8C322 R324 F336 R357 R358 M364 D365 G366 E368C322-M361 PolarHBondContact SG-SD 2.87Å; R324-M361 HydrophobicContact CB-CE 4.1Å; F336-M361 HydrophobicContact CB-SD 3.94Å; F336-M361 HydrophobicContact CG-SD 4.49Å; R357-M361 HydrophobicContact CG-CG 4.48Å; R357-M361 VanDerWaalsContact O-CB 3.31Å; R357-M361 WeakPolarHBondContact O-CB 3.45Å; R357-M361 WeakPolarHBondContact O-CG 3.32Å; R357-M361 PolarHBondContact O-N 3.1Å; R358-M361 WeakPolarHBondContact O-CB 3.37Å; R358-M361 PolarHBondContact O-N 3.06Å; M361-M364 CarbonylContact O-C 3.53Å; M361-M364 PolarHBondContact O-N 3.08Å; M361-M364 VanDerWaalsContact O-N 3.17Å; M361-D365 PolarHBondContact O-N 2.93Å; M361-G366 WeakPolarHBondContact O-CA 3.49Å; M361-G366 PolarHBondContact O-N 3.11Å; M361-E368 HydrophobicContact CE-CG 4.33Å
362E84.9Confident73.8Confident124 Ų12478.5 Ų78.558%0.57939%0.385SS*.Hα-helixtrans-65.5-41-178.2-175-180167.300112.5R293 R358 L359 M364 D365R293-E362 PolarHBondContact NH2-O 3.38Å; R358-E362 VanDerWaalsContact O-CB 3.27Å; R358-E362 WeakPolarHBondContact O-CB 3.32Å; R358-E362 PolarHBondContact O-N 3.28Å; L359-E362 PolarHBondContact O-N 2.63Å; E362-M364 VanDerWaalsContact C-N 3.26Å; E362-M364 PolarHBondContact O-N 3.15Å; E362-D365 PolarHBondContact O-N 2.91Å
363A85.4Confident71Confident8 Ų881.9 Ų81.97%0.06640%0.403CS..Hα-helixtrans-60-37.717200000112T267 M268 Y291 R293 L359T267-A363 HydrophobicContact CG2-CB 4.16Å; M268-A363 HydrophobicContact CB-CB 3.74Å; M268-A363 HydrophobicContact CG-CB 4.42Å; Y291-A363 HydrophobicContact CD1-CB 4.29Å; Y291-A363 HydrophobicContact CE1-CB 4.46Å; Y291-A363 WeakPolarHBondContact CE1-O 3.35Å; R293-A363 PolarHBondContact NH2-O 2.98Å; L359-A363 WeakPolarHBondContact O-CB 3.23Å; L359-A363 PolarHBondContact O-N 3.39Å
364M89.4Confident68.2Low3 Ų387.2 Ų87.22%0.01543%0.428CS..THydrogen-bonded Turntrans-93.315-175.6-70-168.1-74.400114.8Y291 F298 L319 C322 F336 V338 W360 M361 E362 G366Y291-M364 HydrophobicContact CD1-CG 4.07Å; Y291-M364 HydrophobicContact CD2-CG 4.09Å; Y291-M364 HydrophobicContact CD2-SD 4.44Å; Y291-M364 HydrophobicContact CE1-CG 4.05Å; Y291-M364 HydrophobicContact CE2-CG 4.04Å; Y291-M364 HydrophobicContact CG-CG 4.08Å; F298-M364 HydrophobicContact CD2-SD 3.72Å; F298-M364 HydrophobicContact CE2-CE 4.25Å; F298-M364 HydrophobicContact CE2-SD 3.7Å; L319-M364 HydrophobicContact CD1-SD 4.35Å; L319-M364 HydrophobicContact CD2-CB 3.59Å; L319-M364 HydrophobicContact CD2-CG 3.73Å; L319-M364 HydrophobicContact CD2-SD 4.1Å; C322-M364 HydrophobicContact CB-CB 3.83Å; F336-M364 HydrophobicContact CD2-CE 4.36Å; F336-M364 HydrophobicContact CE2-CE 3.58Å; F336-M364 HydrophobicContact CZ-CE 4.15Å; V338-M364 HydrophobicContact CG2-CE 4.31Å; V338-M364 HydrophobicContact CG2-SD 4.4Å; W360-M364 HydrophobicContact CB-CE 4.07Å; W360-M364 HydrophobicContact CE3-CE 3.88Å; W360-M364 WeakPolarHBondContact O-CB 3.41Å; W360-M364 VanDerWaalsContact O-CE 3.24Å; W360-M364 WeakPolarHBondContact O-CE 3.4Å; W360-M364 WeakPolarHBondContact O-CG 3.38Å; W360-M364 PolarHBondContact O-N 3.02Å; M361-M364 CarbonylContact O-C 3.53Å; M361-M364 PolarHBondContact O-N 3.08Å; M361-M364 VanDerWaalsContact O-N 3.17Å; E362-M364 VanDerWaalsContact C-N 3.26Å; E362-M364 PolarHBondContact O-N 3.15Å; M364-G366 PolarHBondContact O-N 3.09Å
365D83.2Confident65.5Low83 Ų8393.6 Ų93.644%0.44446%0.455SS..THydrogen-bonded Turntrans54.731.3-177.4-53.4-38.9000113.9R293 K296 M361 E362R293-D365 IonicContact CZ-OD1 3.73Å; R293-D365 IonicContact NH1-OD1 2.9Å; R293-D365 PolarHBondContact NH1-OD1 3.42Å; R293-D365 IonicContact NH1-OD2 2.73Å; R293-D365 IonicContact NH2-OD1 3.61Å; K296-D365 IonicContact NZ-OD2 2.9Å; K296-D365 PolarHBondContact NZ-OD2 3.12Å; M361-D365 PolarHBondContact O-N 2.93Å; E362-D365 PolarHBondContact O-N 2.91Å
366G76.8Confident62.9Low17 Ų1796.6 Ų96.618%0.17547%0.474CS..  trans-73.7146.4-177.800000113.4C322 M361 M364 E368C322-G366 VanDerWaalsContact O-CA 3.25Å; C322-G366 WeakPolarHBondContact O-CA 3.27Å; M361-G366 WeakPolarHBondContact O-CA 3.49Å; M361-G366 PolarHBondContact O-N 3.11Å; M364-G366 PolarHBondContact O-N 3.09Å; G366-E368 PolarHBondContact O-N 2.91Å
367R68.2Low60.4Low214 Ų214101.8 Ų101.881%0.80850%0.501SS*.BIsolated β-bridgetrans-85.2107.7-168.4-52.5-174.6-164.8-165.14.9113.3
368E54.4Low57.7Low79 Ų79110.2 Ų110.237%0.36954%0.541SS..  trans-148.2162.2164.6-82.7-147.4105.900110.8R324 R357 M361 G366R324-E368 HydrophobicContact CB-CG 4.26Å; R324-E368 WeakPolarHBondContact CD-OE1 3.4Å; R324-E368 IonicContact CZ-OE1 3.47Å; R324-E368 IonicContact NE-OE1 2.71Å; R324-E368 IonicContact NH1-OE1 2.71Å; R324-E368 PolarHBondContact NH1-OE1 2.93Å; R324-E368 IonicContact NH1-OE2 3.32Å; R357-E368 IonicContact CZ-OE2 3.46Å; R357-E368 IonicContact NH1-OE2 2.71Å; R357-E368 PolarHBondContact NH1-OE2 2.88Å; R357-E368 IonicContact NH2-OE2 2.72Å; R357-E368 PolarHBondContact NH2-OE2 2.93Å; M361-E368 HydrophobicContact CE-CG 4.33Å; G366-E368 PolarHBondContact O-N 2.91Å
369P39.7Very low55.3Low115 Ų115109.7 Ų109.775%0.74755%0.552SS**  trans-71.5149-171.927.4-35.3000114.7
370V34.6Very low53.1Low118 Ų118117 Ų11772%0.71558%0.584SS**  trans-79.3140.3-166.2-178.90000113.5
371Y32.5Very low51.2Low217 Ų217120.5 Ų120.585%0.85162%0.621SS**  trans-126.7128.6155.7-80.5-88000109.8
372N33.9Very low49.8Very low144 Ų144125.2 Ų125.277%0.7765%0.645SS**  trans-87.9141.8171.7-68.4-25.9000109.9
373L31.2Very low48.7Very low169 Ų169120.3 Ų120.389%0.88563%0.626SS**  trans-124.4124.4170.6-96.4151.7000109.2
374N28.8Very low48.3Very low148 Ų148126.4 Ų126.479%0.79165%0.653SS**  trans-71.2137.2179.1-64.9-16.7000110
375K28.3Very low48.2Very low205 Ų205127.6 Ų127.689%0.89166%0.659SS**  trans-90.1109.5157.9-83.6-173.4171.8-177.60108.3
376D28.1Very low48.3Very low153 Ų153126.3 Ų126.382%0.81865%0.652SS**  trans-75.3145.6168-104.6-43.1000110.9
377N34.9Very low48.8Very low151 Ų151130.6 Ų130.681%0.80768%0.675SS**  trans-85.3124.9175.2-71.9-44.4000110.1
378Q31Very low49.6Very low185 Ų185121.9 Ų121.986%0.86465%0.645SS**  trans-128.1101.1160.6-69.6-168500109.1
379T35.2Very low51.2Low111 Ų111118.1 Ų118.168%0.68163%0.628SS**  trans-148.641.6177.1-37.60000111.5
380E38.1Very low53.7Low204 Ų204113.9 Ų113.995%0.95360%0.598SS**SBendtrans-111.3130.3167.7-63.9-167138.800109
381G49.2Very low56.3Low77 Ų77112.2 Ų112.279%0.79459%0.585SS**SBendtrans104.42.8178.500000117.5
382M58.2Low59.1Low104 Ų104102 Ų10251%0.51255%0.545SS..  trans-72.5135.7171-82.3-171.1162.300112.1P460M382-P460 HydrophobicContact CB-CG 4.14Å; M382-P460 HydrophobicContact SD-CB 4.05Å; M382-P460 HydrophobicContact SD-CG 3.82Å
383A61.6Low61.9Low22 Ų2295.2 Ų95.218%0.18251%0.509CS..  trans-70.6137.4179.300000111.1Y455 M458 L459 P460A383-Y455 HydrophobicContact CB-CD2 4.01Å; A383-Y455 HydrophobicContact CB-CE2 4.11Å; A383-M458 HydrophobicContact CB-CB 3.91Å; A383-M458 PolarHBondContact N-O 3.04Å; A383-L459 HydrophobicContact CB-CD2 4.33Å; A383-P460 WeakPolarHBondContact O-CD 3.33Å
384Q77.8Confident64.9Low136 Ų13692.3 Ų92.364%0.63649%0.489SS*.  trans-117.6156.1-177.6-59.9-166.116.800112.2D386 Y455Q384-D386 VanDerWaalsContact C-N 3.26Å; Q384-D386 PolarHBondContact O-N 3.42Å; Q384-Y455 PolarHBondContact O-OH 3.4Å
385L86Confident67.9Low27 Ų2788.4 Ų88.414%0.14147%0.465CS..SBendtrans-78.180.9167.3-62.3-179.6000108.8L459 L463 K498 N499 M502L385-L459 HydrophobicContact CD2-CD1 3.93Å; L385-L459 HydrophobicContact CD2-CD2 3.91Å; L385-L459 HydrophobicContact CG-CD2 4.22Å; L385-L463 HydrophobicContact CD1-CD1 4.15Å; L385-L463 HydrophobicContact CD2-CD1 4.33Å; L385-K498 HydrophobicContact CB-CB 4.18Å; L385-K498 HydrophobicContact CB-CD 4.2Å; L385-K498 HydrophobicContact CD1-CB 4.33Å; L385-K498 WeakPolarHBondContact O-CD 3.38Å; L385-K498 WeakPolarHBondContact O-CE 3.27Å; L385-K498 PolarHBondContact O-NZ 3.04Å; L385-N499 HydrophobicContact CD1-CB 4.34Å; L385-N499 VanDerWaalsContact CD1-OD1 3.28Å; L385-N499 WeakPolarHBondContact CD1-OD1 3.18Å; L385-M502 HydrophobicContact CD2-CE 4.28Å; L385-M502 HydrophobicContact CD2-SD 3.43Å; L385-M502 WeakPolarHBondContact CD2-SD 3.33Å
386D86.4Confident71Confident56 Ų5678.7 Ų78.730%0.29942%0.423SS..SBendtrans-122.1178.7178.586.6-39.4000111.5Q384 T388 G389 F390Q384-D386 VanDerWaalsContact C-N 3.26Å; Q384-D386 PolarHBondContact O-N 3.42Å; D386-T388 PolarHBondContact O-N 3.08Å; D386-T388 WeakPolarHBondContact OD1-CB 3.39Å; D386-T388 PolarHBondContact OD1-N 3.33Å; D386-T388 VanDerWaalsContact OD2-CB 3.24Å; D386-T388 WeakPolarHBondContact OD2-CB 3.49Å; D386-T388 PolarHBondContact OD2-N 2.94Å; D386-T388 PolarHBondContact OD2-OG1 2.92Å; D386-G389 PolarHBondContact O-N 2.84Å; D386-G389 PolarHBondContact OD1-N 3.23Å; D386-F390 WeakPolarHBondContact O-CD2 3.4Å; D386-F390 PolarHBondContact O-N 2.82Å
387V85.8Confident74.3Confident108 Ų10871.9 Ų71.966%0.65539%0.386SS*.Hα-helixtrans-61.9-34.2-178.8-178.60000111N391V387-N391 WeakPolarHBondContact O-CB 3.42Å; V387-N391 PolarHBondContact O-N 3.25Å; V387-N391 PolarHBondContact O-ND2 2.94Å
388T86.3Confident77.1Confident30 Ų3071.9 Ų71.918%0.18438%0.376CS..Hα-helixtrans-61.9-56.4176.1-39.10000110.6D386 F390 N391 V392D386-T388 PolarHBondContact O-N 3.08Å; D386-T388 WeakPolarHBondContact OD1-CB 3.39Å; D386-T388 PolarHBondContact OD1-N 3.33Å; D386-T388 VanDerWaalsContact OD2-CB 3.24Å; D386-T388 WeakPolarHBondContact OD2-CB 3.49Å; D386-T388 PolarHBondContact OD2-N 2.94Å; D386-T388 PolarHBondContact OD2-OG1 2.92Å; T388-F390 VanDerWaalsContact C-N 3.31Å; T388-F390 PolarHBondContact O-N 2.78Å; T388-N391 PolarHBondContact O-N 2.83Å; T388-V392 WeakPolarHBondContact O-CG2 3.47Å; T388-V392 PolarHBondContact O-N 3.04Å
389G88.1Confident80.1Confident1 Ų163.1 Ų63.11%0.0134%0.335CS..Hα-helixtrans-58.8-37.4178.800000113.6D386 M393 Y455D386-G389 PolarHBondContact O-N 2.84Å; D386-G389 PolarHBondContact OD1-N 3.23Å; G389-M393 VanDerWaalsContact O-CB 3.29Å; G389-M393 WeakPolarHBondContact O-CB 3.45Å; G389-M393 PolarHBondContact O-N 2.64Å; G389-Y455 WeakPolarHBondContact CA-OH 3.47Å
390F91.4Very high83Confident26 Ų2657.8 Ų57.811%0.11430%0.303CS..Hα-helixtrans-64.4-42171.9-93.1-82.3000113.1D386 T388 K394 K498 Q501 M502D386-F390 WeakPolarHBondContact O-CD2 3.4Å; D386-F390 PolarHBondContact O-N 2.82Å; T388-F390 VanDerWaalsContact C-N 3.31Å; T388-F390 PolarHBondContact O-N 2.78Å; F390-K394 VanDerWaalsContact O-CG 3.29Å; F390-K394 WeakPolarHBondContact O-CG 3.3Å; F390-K394 PolarHBondContact O-N 2.87Å; F390-K394 VanDerWaalsContact O-N 3.1Å; F390-K498 HydrophobicContact CE2-CB 4.28Å; F390-K498 WeakPolarHBondContact CZ-O 2.97Å; F390-Q501 HydrophobicContact CE1-CB 3.96Å; F390-Q501 HydrophobicContact CZ-CB 3.83Å; F390-M502 HydrophobicContact CB-CE 4.25Å; F390-M502 HydrophobicContact CD1-CE 3.71Å; F390-M502 HydrophobicContact CD2-CE 3.81Å; F390-M502 HydrophobicContact CE1-CB 3.85Å; F390-M502 HydrophobicContact CE1-CE 3.98Å; F390-M502 HydrophobicContact CE2-CE 4.06Å; F390-M502 HydrophobicContact CG-CE 3.64Å; F390-M502 HydrophobicContact CZ-CB 3.76Å; F390-M502 HydrophobicContact CZ-CE 4.15Å
391N89.7Confident85.7Confident83 Ų8350.4 Ų50.444%0.44427%0.268SS..Hα-helixtrans-69.8-41.7179.1-72.6-16000111.7V387 T388 K394 K395V387-N391 WeakPolarHBondContact O-CB 3.42Å; V387-N391 PolarHBondContact O-N 3.25Å; V387-N391 PolarHBondContact O-ND2 2.94Å; T388-N391 PolarHBondContact O-N 2.83Å; N391-K394 PolarHBondContact O-N 2.67Å; N391-K395 WeakPolarHBondContact O-CB 3.48Å; N391-K395 PolarHBondContact O-N 2.87Å
392V90.3Very high87.8Confident2 Ų250.3 Ų50.31%0.01225%0.252CS..Hα-helixtrans-63.5-43.9175.5178.40000111.3T388 K394 K395 F396 T427 M428T388-V392 WeakPolarHBondContact O-CG2 3.47Å; T388-V392 PolarHBondContact O-N 3.04Å; V392-K394 PolarHBondContact O-N 3.21Å; V392-K395 PolarHBondContact O-N 2.61Å; V392-F396 HydrophobicContact CG1-CD1 4.46Å; V392-F396 HydrophobicContact CG1-CD2 3.78Å; V392-F396 HydrophobicContact CG1-CE1 4.09Å; V392-F396 HydrophobicContact CG1-CE2 3.35Å; V392-F396 HydrophobicContact CG1-CG 4.33Å; V392-F396 HydrophobicContact CG1-CZ 3.52Å; V392-F396 WeakPolarHBondContact O-CG 3.38Å; V392-F396 PolarHBondContact O-N 3.33Å; V392-T427 WeakPolarHBondContact CG1-OG1 3.27Å; V392-T427 WeakPolarHBondContact CG2-O 3.34Å; V392-M428 HydrophobicContact CB-CE 3.96Å; V392-M428 HydrophobicContact CB-SD 4.45Å; V392-M428 HydrophobicContact CG1-CE 3.77Å; V392-M428 HydrophobicContact CG2-CE 4.21Å; V392-M428 HydrophobicContact CG2-SD 4.09Å
393M93.3Very high89.4Confident2 Ų249.7 Ų49.71%0.0124%0.244CC..Hα-helixtrans-58.5-45.7175.9-175.658.467.300111.6G389 F396 I397 I452 Y455 L456 M502 L505G389-M393 VanDerWaalsContact O-CB 3.29Å; G389-M393 WeakPolarHBondContact O-CB 3.45Å; G389-M393 PolarHBondContact O-N 2.64Å; M393-F396 PolarHBondContact O-N 3.23Å; M393-I397 HydrophobicContact CG-CD1 3.83Å; M393-I397 WeakPolarHBondContact O-CB 3.29Å; M393-I397 WeakPolarHBondContact O-CG1 3.3Å; M393-I397 PolarHBondContact O-N 2.93Å; M393-I397 HydrophobicContact SD-CD1 3.88Å; M393-I397 HydrophobicContact SD-CG1 4.22Å; M393-I452 HydrophobicContact CE-CG2 4.09Å; M393-I452 HydrophobicContact SD-CB 4.49Å; M393-I452 HydrophobicContact SD-CG1 4.07Å; M393-I452 HydrophobicContact SD-CG2 3.93Å; M393-Y455 HydrophobicContact CE-CD1 3.45Å; M393-Y455 VanDerWaalsContact CE-CD1 3.45Å; M393-Y455 HydrophobicContact CE-CE1 3.71Å; M393-L456 HydrophobicContact CE-CD1 4.3Å; M393-L456 HydrophobicContact CE-CD2 4.09Å; M393-L456 HydrophobicContact CE-CG 4.02Å; M393-M502 HydrophobicContact CB-CE 4.15Å; M393-M502 HydrophobicContact CG-CE 4.49Å; M393-L505 HydrophobicContact CB-CD2 4.25Å; M393-L505 HydrophobicContact CG-CD2 3.76Å
394K93.8Very high90.9Very high108 Ų10848.8 Ų48.847%0.4724%0.237SC..Hα-helixtrans-61.5-44.1174.7-71.2169.4-176.11750112.3F390 N391 V392 I397 Y398 L505F390-K394 VanDerWaalsContact O-CG 3.29Å; F390-K394 WeakPolarHBondContact O-CG 3.3Å; F390-K394 PolarHBondContact O-N 2.87Å; F390-K394 VanDerWaalsContact O-N 3.1Å; N391-K394 PolarHBondContact O-N 2.67Å; V392-K394 PolarHBondContact O-N 3.21Å; K394-I397 PolarHBondContact O-N 3.14Å; K394-Y398 WeakPolarHBondContact O-CB 3.33Å; K394-Y398 PolarHBondContact O-N 3.21Å; K394-L505 HydrophobicContact CG-CD1 4.18Å; K394-L505 HydrophobicContact CG-CD2 3.8Å
395K91.6Very high91.7Very high65 Ų6543.4 Ų43.428%0.28321%0.212SC..Hα-helixtrans-63.5-42.2-179.9-162.4174.4170.5172.10111.2N391 V392 A399 C433 A434 V436 L438N391-K395 WeakPolarHBondContact O-CB 3.48Å; N391-K395 PolarHBondContact O-N 2.87Å; V392-K395 PolarHBondContact O-N 2.61Å; K395-A399 PolarHBondContact O-N 2.78Å; K395-C433 PolarHBondContact NZ-O 2.99Å; K395-A434 PolarHBondContact NZ-O 3.37Å; K395-V436 WeakPolarHBondContact CE-O 3.3Å; K395-V436 PolarHBondContact NZ-O 2.73Å; K395-L438 HydrophobicContact CB-CD1 4.39Å; K395-L438 HydrophobicContact CG-CD1 3.77Å; K395-L438 HydrophobicContact CG-CG 4.5Å; K395-L438 VanDerWaalsContact O-CD1 3.28Å; K395-L438 WeakPolarHBondContact O-CD1 3.42Å
396F95.2Very high92.1Very high2 Ų245.2 Ų45.21%0.00922%0.222CC..Hα-helixtrans-68.1-46.1173.9-67-23.3000113.1V392 M393 Y398 A399 V400 L423 L424 T427 L438 I448 A451 I452V392-F396 HydrophobicContact CG1-CD1 4.46Å; V392-F396 HydrophobicContact CG1-CD2 3.78Å; V392-F396 HydrophobicContact CG1-CE1 4.09Å; V392-F396 HydrophobicContact CG1-CE2 3.35Å; V392-F396 HydrophobicContact CG1-CG 4.33Å; V392-F396 HydrophobicContact CG1-CZ 3.52Å; V392-F396 WeakPolarHBondContact O-CG 3.38Å; V392-F396 PolarHBondContact O-N 3.33Å; M393-F396 PolarHBondContact O-N 3.23Å; F396-Y398 VanDerWaalsContact C-N 3.32Å; F396-Y398 PolarHBondContact O-N 2.7Å; F396-A399 PolarHBondContact O-N 3.29Å; F396-V400 WeakPolarHBondContact O-CG2 3.45Å; F396-V400 PolarHBondContact O-N 3.16Å; F396-V400 VanDerWaalsContact O-N 3.09Å; F396-L423 HydrophobicContact CE1-CD1 4.11Å; F396-L423 HydrophobicContact CE1-CD2 3.89Å; F396-L423 HydrophobicContact CE1-CG 3.89Å; F396-L423 HydrophobicContact CZ-CD2 4.09Å; F396-L423 HydrophobicContact CZ-CG 3.9Å; F396-L424 HydrophobicContact CE2-CD2 3.76Å; F396-L424 HydrophobicContact CZ-CD2 4.1Å; F396-T427 HydrophobicContact CE1-CG2 4.03Å; F396-T427 HydrophobicContact CZ-CG2 4.19Å; F396-L438 HydrophobicContact CD1-CD1 3.75Å; F396-L438 HydrophobicContact CD1-CD2 4.25Å; F396-L438 HydrophobicContact CE1-CD1 4.36Å; F396-L438 HydrophobicContact CE1-CD2 4.13Å; F396-I448 HydrophobicContact CB-CG2 3.73Å; F396-I448 HydrophobicContact CD1-CG2 3.97Å; F396-I448 HydrophobicContact CG-CG2 4Å; F396-A451 HydrophobicContact CD2-CB 4.33Å; F396-A451 HydrophobicContact CE2-CB 3.7Å; F396-A451 HydrophobicContact CZ-CB 3.97Å; F396-I452 HydrophobicContact CB-CD1 3.78Å; F396-I452 HydrophobicContact CB-CG1 3.7Å; F396-I452 HydrophobicContact CD2-CG1 3.87Å; F396-I452 HydrophobicContact CG-CG1 4.24Å
397I96.1Very high92.4Very high10 Ų1046.6 Ų46.65%0.05123%0.226CC..Hα-helixtrans-57.8-45.4177.5-80172000110.8M393 K394 A399 V400 E401 I452 L505 H509M393-I397 HydrophobicContact CG-CD1 3.83Å; M393-I397 WeakPolarHBondContact O-CB 3.29Å; M393-I397 WeakPolarHBondContact O-CG1 3.3Å; M393-I397 PolarHBondContact O-N 2.93Å; M393-I397 HydrophobicContact SD-CD1 3.88Å; M393-I397 HydrophobicContact SD-CG1 4.22Å; K394-I397 PolarHBondContact O-N 3.14Å; I397-A399 PolarHBondContact O-N 3.32Å; I397-V400 PolarHBondContact O-N 3.14Å; I397-E401 HydrophobicContact CG2-CG 4.39Å; I397-E401 WeakPolarHBondContact CG2-OE1 3.12Å; I397-E401 WeakPolarHBondContact O-CG 3.24Å; I397-E401 PolarHBondContact O-N 3.27Å; I397-I452 HydrophobicContact CG1-CD1 4.24Å; I397-L505 HydrophobicContact CD1-CD1 4.4Å; I397-L505 HydrophobicContact CD1-CD2 4.3Å; I397-L505 HydrophobicContact CD1-CG 3.88Å; I397-H509 HydrophobicContact CD1-CB 4.02Å; I397-H509 HydrophobicContact CG1-CB 4.21Å; I397-H509 HydrophobicContact CG2-CB 3.99Å
398Y94.6Very high92.7Very high150 Ų15047.2 Ų47.259%0.58822%0.222SC*.Hα-helixtrans-56.9-49.1176.9-179.3-100.3000112K394 F396 V400 E401 T402K394-Y398 WeakPolarHBondContact O-CB 3.33Å; K394-Y398 PolarHBondContact O-N 3.21Å; F396-Y398 VanDerWaalsContact C-N 3.32Å; F396-Y398 PolarHBondContact O-N 2.7Å; Y398-V400 VanDerWaalsContact C-N 3.29Å; Y398-V400 PolarHBondContact O-N 3Å; Y398-E401 PolarHBondContact O-N 3Å; Y398-E401 VanDerWaalsContact O-N 3.14Å; Y398-T402 HydrophobicContact CD1-CG2 4.28Å; Y398-T402 HydrophobicContact CD2-CG2 3.98Å; Y398-T402 HydrophobicContact CE1-CG2 3.93Å; Y398-T402 HydrophobicContact CE2-CG2 3.6Å; Y398-T402 HydrophobicContact CG-CG2 4.31Å; Y398-T402 WeakPolarHBondContact O-CG2 3.37Å; Y398-T402 PolarHBondContact O-N 3.25Å; Y398-T402 PolarHBondContact O-OG1 3.33Å; Y398-T402 VanDerWaalsContact O-OG1 3.06Å
399A93.6Very high92.9Very high1 Ų146.4 Ų46.41%0.00822%0.219CC..Hα-helixtrans-64.1-29.9179.100000113.7K395 F396 I397 R403 L438 I448K395-A399 PolarHBondContact O-N 2.78Å; F396-A399 PolarHBondContact O-N 3.29Å; I397-A399 PolarHBondContact O-N 3.32Å; A399-R403 VanDerWaalsContact O-CG 3.24Å; A399-R403 WeakPolarHBondContact O-CG 3.36Å; A399-L438 HydrophobicContact CB-CB 3.97Å; A399-L438 HydrophobicContact CB-CD1 3.87Å; A399-I448 HydrophobicContact CB-CD1 4.07Å
400V95.6Very high93.1Very high0 Ų046.6 Ų46.60%022%0.22CC..Hα-helixtrans-71.9-44.3171.5177.80000110.6F396 I397 Y398 G404 I405 L410 I448 T449 I452F396-V400 WeakPolarHBondContact O-CG2 3.45Å; F396-V400 PolarHBondContact O-N 3.16Å; F396-V400 VanDerWaalsContact O-N 3.09Å; I397-V400 PolarHBondContact O-N 3.14Å; Y398-V400 VanDerWaalsContact C-N 3.29Å; Y398-V400 PolarHBondContact O-N 3Å; V400-G404 CarbonylContact O-C 3.35Å; V400-G404 VanDerWaalsContact O-C 3.23Å; V400-G404 VanDerWaalsContact O-CA 3.26Å; V400-G404 WeakPolarHBondContact O-CA 3.38Å; V400-G404 PolarHBondContact O-N 3.26Å; V400-I405 PolarHBondContact O-N 3.05Å; V400-L410 HydrophobicContact CG1-CD1 4.37Å; V400-L410 HydrophobicContact CG1-CD2 3.8Å; V400-I448 HydrophobicContact CG2-CG2 3.92Å; V400-T449 HydrophobicContact CG1-CG2 4.31Å; V400-T449 HydrophobicContact CG2-CG2 3.78Å; V400-I452 HydrophobicContact CG2-CD1 4.47Å
401E95.6Very high93.3Very high49 Ų4945.4 Ų45.423%0.22922%0.215CC..Hα-helixtrans-69-35.4-178.2-70.3-177.4-17600114.3I397 Y398 H509 K512I397-E401 HydrophobicContact CG2-CG 4.39Å; I397-E401 WeakPolarHBondContact CG2-OE1 3.12Å; I397-E401 WeakPolarHBondContact O-CG 3.24Å; I397-E401 PolarHBondContact O-N 3.27Å; Y398-E401 PolarHBondContact O-N 3Å; Y398-E401 VanDerWaalsContact O-N 3.14Å; E401-H509 VanDerWaalsContact CG-ND1 3.32Å; E401-H509 WeakPolarHBondContact CG-ND1 3.36Å; E401-H509 IonicContact OE1-CE1 2.84Å; E401-H509 IonicContact OE1-CG 2.76Å; E401-H509 IonicContact OE1-ND1 3.53Å; E401-H509 PolarHBondContact OE1-ND1 2.98Å; E401-K512 HydrophobicContact CG-CD 4.33Å; E401-K512 VanDerWaalsContact OE1-CD 3.24Å; E401-K512 WeakPolarHBondContact OE1-CD 3.44Å; E401-K512 IonicContact OE1-NZ 3.53Å; E401-K512 PolarHBondContact OE1-NZ 3.15Å; E401-K512 IonicContact OE2-NZ 2.71Å; E401-K512 PolarHBondContact OE2-NZ 2.89Å
402T92.8Very high93.3Very high75 Ų7548.1 Ų48.146%0.4622%0.219SC..Hα-helixtrans-85.1-33-174.954.90000114.5Y398Y398-T402 HydrophobicContact CD1-CG2 4.28Å; Y398-T402 HydrophobicContact CD2-CG2 3.98Å; Y398-T402 HydrophobicContact CE1-CG2 3.93Å; Y398-T402 HydrophobicContact CE2-CG2 3.6Å; Y398-T402 HydrophobicContact CG-CG2 4.31Å; Y398-T402 WeakPolarHBondContact O-CG2 3.37Å; Y398-T402 PolarHBondContact O-N 3.25Å; Y398-T402 PolarHBondContact O-OG1 3.33Å; Y398-T402 VanDerWaalsContact O-OG1 3.06Å
403R92.8Very high93.3Very high91 Ų9152.2 Ų52.234%0.34324%0.24SC..Hα-helixtrans-136.54.6-173.268167.8-167.981.1-4.6115.6A399 L438 D439 W443 I445A399-R403 VanDerWaalsContact O-CG 3.24Å; A399-R403 WeakPolarHBondContact O-CG 3.36Å; R403-L438 PolarHBondContact NE-O 2.94Å; R403-L438 PolarHBondContact NH2-O 3.15Å; R403-D439 WeakPolarHBondContact CD-OD1 3.46Å; R403-D439 IonicContact NE-OD1 3.88Å; R403-D439 PolarHBondContact NE-OD1 3.16Å; R403-W443 PolarHBondContact NH2-O 3.32Å; R403-I445 HydrophobicContact CG-CD1 4.32Å
404G91.6Very high93Very high2 Ų257.4 Ų57.42%0.02127%0.272CS..THydrogen-bonded Turntrans-129.2-3.5-178.200000115.5V400 D406 E407 L410V400-G404 CarbonylContact O-C 3.35Å; V400-G404 VanDerWaalsContact O-C 3.23Å; V400-G404 VanDerWaalsContact O-CA 3.26Å; V400-G404 WeakPolarHBondContact O-CA 3.38Å; V400-G404 PolarHBondContact O-N 3.26Å; G404-D406 PolarHBondContact O-N 3.22Å; G404-D406 VanDerWaalsContact O-N 3.11Å; G404-E407 WeakPolarHBondContact O-CB 3.15Å; G404-E407 PolarHBondContact O-N 3.43Å; G404-L410 WeakPolarHBondContact O-CD1 3.4Å
405I95.3Very high92.8Very high23 Ų2352.5 Ų52.512%0.11825%0.252CS..THydrogen-bonded Turntrans-62.3-26.2-165.5-166.159.9000114.1V400 L410 V513 H516 N520V400-I405 PolarHBondContact O-N 3.05Å; I405-L410 WeakPolarHBondContact O-CD1 3.41Å; I405-V513 HydrophobicContact CD1-CB 4.41Å; I405-V513 HydrophobicContact CD1-CG2 3.84Å; I405-H516 HydrophobicContact CG1-CB 4.19Å; I405-N520 WeakPolarHBondContact O-CB 3.48Å; I405-N520 PolarHBondContact O-ND2 3.08Å
406D93.7Very high92.7Very high65 Ų6553 Ų5335%0.34826%0.26SS..THydrogen-bonded Turntrans-101.31.8179.3-62.3-46.3000113.8G404 Q408 H516 Q519G404-D406 PolarHBondContact O-N 3.22Å; G404-D406 VanDerWaalsContact O-N 3.11Å; D406-Q408 PolarHBondContact O-N 3.31Å; D406-H516 IonicContact OD1-CD2 3.49Å; D406-Q519 HydrophobicContact CB-CB 3.98Å; D406-Q519 PolarHBondContact OD1-NE2 2.66Å; D406-Q519 PolarHBondContact OD2-NE2 3.02Å; D406-Q519 VanDerWaalsContact OD2-NE2 3.12Å
407E93.8Very high92.2Very high85 Ų8556.6 Ų56.640%0.39729%0.285SS..SBendtrans-64.5128.3175.3-82.6-164.8-150.700111.1G404 G409 L410 I445 N520G404-E407 WeakPolarHBondContact O-CB 3.15Å; G404-E407 PolarHBondContact O-N 3.43Å; E407-G409 PolarHBondContact O-N 2.64Å; E407-L410 WeakPolarHBondContact O-CG 3.33Å; E407-L410 PolarHBondContact O-N 3.36Å; E407-I445 VanDerWaalsContact OE1-CB 3.31Å; E407-I445 WeakPolarHBondContact OE1-CB 3.33Å; E407-I445 WeakPolarHBondContact OE1-CG1 3.32Å; E407-N520 VanDerWaalsContact O-CB 3.29Å; E407-N520 WeakPolarHBondContact O-CB 3.4Å
408Q92.2Very high91.8Very high122 Ų12260 Ų6057%0.5731%0.31SS*.THydrogen-bonded Turntrans-63.3130.6-178.9-72.4-174.8-14.800112.4D406 I413 Q519 N520 L521D406-Q408 PolarHBondContact O-N 3.31Å; Q408-I413 WeakPolarHBondContact O-CD1 3.46Å; Q408-Q519 WeakPolarHBondContact CG-O 3.34Å; Q408-N520 WeakPolarHBondContact CA-O 3.48Å; Q408-L521 HydrophobicContact CG-CD1 4.24Å; Q408-L521 HydrophobicContact CG-CG 4.37Å
409G89.6Confident91.6Very high12 Ų1255.5 Ų55.512%0.12429%0.294CS..THydrogen-bonded Turntrans74.229176.500000114.5E407 Y411 R412 I413 N520E407-G409 PolarHBondContact O-N 2.64Å; G409-Y411 PolarHBondContact O-N 2.72Å; G409-R412 WeakPolarHBondContact O-CA 3.5Å; G409-R412 WeakPolarHBondContact O-CB 3.35Å; G409-R412 PolarHBondContact O-N 2.71Å; G409-I413 PolarHBondContact O-N 3.47Å; G409-N520 PolarHBondContact N-O 2.86Å
410L93.4Very high91.5Very high6 Ų655.7 Ų55.73%0.03130%0.295CS..THydrogen-bonded Turntrans-39.4130.5168-85.7173.9000111.7V400 G404 I405 E407 R412 I445 T449 V513 N520 M522V400-L410 HydrophobicContact CG1-CD1 4.37Å; V400-L410 HydrophobicContact CG1-CD2 3.8Å; G404-L410 WeakPolarHBondContact O-CD1 3.4Å; I405-L410 WeakPolarHBondContact O-CD1 3.41Å; E407-L410 WeakPolarHBondContact O-CG 3.33Å; E407-L410 PolarHBondContact O-N 3.36Å; L410-R412 PolarHBondContact O-N 2.76Å; L410-I445 HydrophobicContact CD2-CG2 3.46Å; L410-I445 VanDerWaalsContact CD2-CG2 3.46Å; L410-T449 HydrophobicContact CD2-CG2 3.72Å; L410-V513 HydrophobicContact CB-CG1 4.21Å; L410-V513 HydrophobicContact CD1-CG1 3.79Å; L410-V513 HydrophobicContact CD1-CG2 4.31Å; L410-N520 HydrophobicContact CD1-CB 4.24Å; L410-M522 HydrophobicContact CB-CG 4.16Å; L410-M522 VanDerWaalsContact O-CE 3.31Å; L410-M522 WeakPolarHBondContact O-CE 3.37Å; L410-M522 WeakPolarHBondContact O-CG 3.42Å
411Y94.7Very high91Very high1 Ų161 Ų610%0.00432%0.319CS..THydrogen-bonded Turntrans59.9-18.6-174.2-56-81.1000116.9G409 T449 I452 K453 H509 L510 V513 L527 V530 F531G409-Y411 PolarHBondContact O-N 2.72Å; Y411-T449 VanDerWaalsContact CD1-CB 3.48Å; Y411-T449 HydrophobicContact CD1-CG2 3.92Å; Y411-T449 WeakPolarHBondContact CD1-O 3.46Å; Y411-T449 HydrophobicContact CD2-CG2 4.22Å; Y411-T449 HydrophobicContact CE1-CG2 3.7Å; Y411-T449 HydrophobicContact CE2-CG2 4.02Å; Y411-T449 HydrophobicContact CG-CG2 4.16Å; Y411-I452 HydrophobicContact CE1-CB 4.08Å; Y411-I452 HydrophobicContact CE1-CD1 3.99Å; Y411-I452 HydrophobicContact CE1-CG2 3.93Å; Y411-I452 WeakPolarHBondContact OH-CD1 3.41Å; Y411-K453 HydrophobicContact CD1-CD 4.34Å; Y411-K453 HydrophobicContact CD1-CG 4.12Å; Y411-K453 WeakPolarHBondContact O-CE 3.46Å; Y411-K453 PolarHBondContact O-NZ 3.02Å; Y411-H509 AromaticContact CE2-NE2 3.58Å; Y411-H509 AromaticContact CZ-CD2 3.99Å; Y411-H509 AromaticContact CZ-NE2 3.58Å; Y411-H509 PolarHBondContact OH-CD2 3.07Å; Y411-H509 PolarHBondContact OH-NE2 2.65Å; Y411-L510 HydrophobicContact CD2-CD2 4.22Å; Y411-L510 HydrophobicContact CE2-CD2 3.93Å; Y411-V513 HydrophobicContact CE2-CG2 4.32Å; Y411-L527 HydrophobicContact CD2-CD2 4.25Å; Y411-V530 WeakPolarHBondContact O-CG1 3.34Å; Y411-F531 AromaticContact CD1-CE2 3.79Å; Y411-F531 HydrophobicContact CD1-CE2 3.79Å; Y411-F531 AromaticContact CD1-CZ 3.54Å; Y411-F531 HydrophobicContact CD1-CZ 3.54Å; Y411-F531 HydrophobicContact CD2-CE2 4.14Å; Y411-F531 HydrophobicContact CE1-CE2 4.33Å; Y411-F531 AromaticContact CE1-CZ 3.79Å; Y411-F531 HydrophobicContact CE1-CZ 3.79Å; Y411-F531 AromaticContact CG-CE2 3.68Å; Y411-F531 HydrophobicContact CG-CE2 3.68Å; Y411-F531 AromaticContact CG-CZ 3.95Å; Y411-F531 HydrophobicContact CG-CZ 3.95Å
412R90.3Very high90.7Very high140 Ų14062.9 Ų62.953%0.52833%0.327SS..THydrogen-bonded Turntrans-77.8-45.2171.2-172.9177.8-176.8175.23.2111.3G409 L410 M522G409-R412 WeakPolarHBondContact O-CA 3.5Å; G409-R412 WeakPolarHBondContact O-CB 3.35Å; G409-R412 PolarHBondContact O-N 2.71Å; L410-R412 PolarHBondContact O-N 2.76Å; R412-M522 HydrophobicContact CB-CE 4.06Å; R412-M522 HydrophobicContact CB-SD 3.8Å
413I89.6Confident90.6Very high87 Ų8759.3 Ų59.345%0.44631%0.305SS..SBendtrans-70.6139176.3-59.8-178.4000109.9Q408 G409 K446Q408-I413 WeakPolarHBondContact O-CD1 3.46Å; G409-I413 PolarHBondContact O-N 3.47Å; I413-K446 HydrophobicContact CG2-CB 4.07Å; I413-K446 HydrophobicContact CG2-CD 4.19Å
414V87.9Confident90.4Very high112 Ų11255.8 Ų55.868%0.67929%0.293SS*.PPolyproline II helixtrans-98.7129.4-176.9-1780000110.3
415G88.4Confident90.1Very high5 Ų559.4 Ų59.45%0.05232%0.318CS..PPolyproline II helixtrans-81.4161.1172.800000112.8S417 K446 S450G415-S417 PolarHBondContact O-N 2.93Å; G415-K446 WeakPolarHBondContact CA-O 3.36Å; G415-K446 PolarHBondContact N-O 2.99Å; G415-S450 PolarHBondContact N-OG 2.99Å
416V90.2Very high89.8Confident76 Ų7661 Ų6146%0.46133%0.326SS..PPolyproline II helixtrans-63.7117.6-177-177.50000110.1S418 K419 V420V416-S418 VanDerWaalsContact C-N 3.29Å; V416-S418 PolarHBondContact O-N 2.84Å; V416-S418 VanDerWaalsContact O-N 3.15Å; V416-K419 HydrophobicContact CB-CB 4.32Å; V416-K419 HydrophobicContact CB-CD 4.48Å; V416-K419 HydrophobicContact CB-CG 4.26Å; V416-K419 WeakPolarHBondContact O-CA 3.29Å; V416-K419 WeakPolarHBondContact O-CB 3.1Å; V416-K419 PolarHBondContact O-N 3.41Å; V416-V420 PolarHBondContact O-N 3.13Å
417S85.1Confident89.3Confident76 Ų7657.9 Ų57.953%0.53131%0.31SS..Hα-helixtrans-57.1-36.6-168.6-165.40000114.1G415 V420 Q421G415-S417 PolarHBondContact O-N 2.93Å; S417-V420 WeakPolarHBondContact O-CB 3.17Å; S417-V420 PolarHBondContact O-N 3.48Å; S417-Q421 WeakPolarHBondContact O-CG 3.3Å; S417-Q421 PolarHBondContact O-N 3.24Å
418S88Confident88.8Confident83 Ų8356.5 Ų56.558%0.5830%0.304SS*.Hα-helixtrans-68-37.517652.30000112.8V416 K422V416-S418 VanDerWaalsContact C-N 3.29Å; V416-S418 PolarHBondContact O-N 2.84Å; V416-S418 VanDerWaalsContact O-N 3.15Å; S418-K422 WeakPolarHBondContact O-CB 3.28Å; S418-K422 PolarHBondContact O-N 2.75Å
419K90.3Very high88.3Confident55 Ų5553.8 Ų53.824%0.23929%0.293CS..Hα-helixtrans-63.5-42.4169.6-73.7-167.1174.2-170.90111.1V416 Q421 K422 L423 E442 W443 E444 T447V416-K419 HydrophobicContact CB-CB 4.32Å; V416-K419 HydrophobicContact CB-CD 4.48Å; V416-K419 HydrophobicContact CB-CG 4.26Å; V416-K419 WeakPolarHBondContact O-CA 3.29Å; V416-K419 WeakPolarHBondContact O-CB 3.1Å; V416-K419 PolarHBondContact O-N 3.41Å; K419-Q421 PolarHBondContact O-N 3.06Å; K419-K422 PolarHBondContact O-N 3.33Å; K419-L423 VanDerWaalsContact O-CB 3.31Å; K419-L423 WeakPolarHBondContact O-CB 3.42Å; K419-L423 PolarHBondContact O-N 2.88Å; K419-E442 PolarHBondContact NZ-O 3.32Å; K419-W443 HydrophobicContact CB-CZ3 4.33Å; K419-E444 IonicContact NZ-OE2 2.83Å; K419-E444 PolarHBondContact NZ-OE2 3.24Å; K419-T447 HydrophobicContact CB-CG2 3.74Å
420V90.1Very high87.5Confident5 Ų557.7 Ų57.73%0.0332%0.317CS..Hα-helixtrans-60.9-43.9179174.30000111.2V416 S417 L424 T447 A451 H454V416-V420 PolarHBondContact O-N 3.13Å; S417-V420 WeakPolarHBondContact O-CB 3.17Å; S417-V420 PolarHBondContact O-N 3.48Å; V420-L424 HydrophobicContact CG1-CD1 4.26Å; V420-L424 WeakPolarHBondContact O-CG 3.41Å; V420-L424 PolarHBondContact O-N 3.07Å; V420-L424 VanDerWaalsContact O-N 3.1Å; V420-T447 HydrophobicContact CG2-CG2 3.89Å; V420-A451 HydrophobicContact CG1-CB 4.16Å; V420-H454 HydrophobicContact CG1-CB 3.98Å
421Q86.6Confident86.5Confident110 Ų11065.7 Ų65.751%0.51435%0.351SS..Hα-helixtrans-66.7-46.9175.5-73.3175.7-40.600112S417 K419 L423 L424 S425S417-Q421 WeakPolarHBondContact O-CG 3.3Å; S417-Q421 PolarHBondContact O-N 3.24Å; K419-Q421 PolarHBondContact O-N 3.06Å; Q421-L423 VanDerWaalsContact C-N 3.32Å; Q421-L423 PolarHBondContact O-N 2.71Å; Q421-L424 PolarHBondContact O-N 3.11Å; Q421-S425 PolarHBondContact O-N 2.9Å; Q421-S425 PolarHBondContact O-OG 3.46Å
422K89.3Confident85.7Confident90 Ų9067.6 Ų67.639%0.39136%0.363SS..Hα-helixtrans-55.1-46.9175.1-178.1-170.7166.5-167.40111.5S418 K419 S425 L426 E442 W443S418-K422 WeakPolarHBondContact O-CB 3.28Å; S418-K422 PolarHBondContact O-N 2.75Å; K419-K422 PolarHBondContact O-N 3.33Å; K422-S425 WeakPolarHBondContact CA-OG 3.02Å; K422-S425 PolarHBondContact O-N 3.25Å; K422-S425 PolarHBondContact O-OG 3.05Å; K422-L426 HydrophobicContact CG-CD1 3.95Å; K422-L426 VanDerWaalsContact O-CG 3.32Å; K422-L426 WeakPolarHBondContact O-CG 3.49Å; K422-L426 PolarHBondContact O-N 3.18Å; K422-L426 VanDerWaalsContact O-N 3.1Å; K422-E442 IonicContact NZ-OE1 2.61Å; K422-E442 PolarHBondContact NZ-OE1 3Å; K422-E442 IonicContact NZ-OE2 3.99Å; K422-E442 PolarHBondContact NZ-OE2 2.97Å; K422-W443 HydrophobicContact CB-CH2 4.42Å; K422-W443 HydrophobicContact CD-CH2 3.87Å; K422-W443 HydrophobicContact CG-CH2 4.05Å
423L90.7Very high85Confident0 Ų062 Ų620%035%0.345CS..Hα-helixtrans-60.2-48179.3-178.656.2000111.3F396 K419 Q421 L426 T427 V436 L438 W443 T447 I448 A451F396-L423 HydrophobicContact CE1-CD1 4.11Å; F396-L423 HydrophobicContact CE1-CD2 3.89Å; F396-L423 HydrophobicContact CE1-CG 3.89Å; F396-L423 HydrophobicContact CZ-CD2 4.09Å; F396-L423 HydrophobicContact CZ-CG 3.9Å; K419-L423 VanDerWaalsContact O-CB 3.31Å; K419-L423 WeakPolarHBondContact O-CB 3.42Å; K419-L423 PolarHBondContact O-N 2.88Å; Q421-L423 VanDerWaalsContact C-N 3.32Å; Q421-L423 PolarHBondContact O-N 2.71Å; L423-L426 PolarHBondContact O-N 3.25Å; L423-T427 HydrophobicContact CD1-CG2 4.18Å; L423-T427 WeakPolarHBondContact O-CG2 3.43Å; L423-T427 PolarHBondContact O-N 3.04Å; L423-T427 PolarHBondContact O-OG1 3.2Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å; L423-V436 HydrophobicContact CD1-CG1 3.91Å; L423-L438 HydrophobicContact CD1-CD2 3.92Å; L423-W443 HydrophobicContact CB-CE3 4.06Å; L423-W443 HydrophobicContact CB-CH2 3.99Å; L423-W443 HydrophobicContact CB-CZ3 3.67Å; L423-W443 HydrophobicContact CD1-CD2 3.89Å; L423-W443 HydrophobicContact CD1-CE3 4.06Å; L423-W443 HydrophobicContact CD1-CG 4.41Å; L423-W443 HydrophobicContact CD1-CH2 4.26Å; L423-W443 HydrophobicContact CD1-CZ2 4.12Å; L423-W443 HydrophobicContact CD1-CZ3 4.25Å; L423-W443 HydrophobicContact CD2-CE3 4.16Å; L423-W443 HydrophobicContact CG-CE3 4.32Å; L423-W443 HydrophobicContact CG-CZ3 4.38Å; L423-T447 HydrophobicContact CD2-CG2 4.27Å; L423-I448 HydrophobicContact CD2-CG1 4.13Å; L423-A451 HydrophobicContact CD2-CB 4.1Å
424L87.4Confident84Confident17 Ų1761.7 Ų61.79%0.08936%0.355CS..Hα-helixtrans-66.7-38.3179-76.3170.3000113F396 V420 Q421 L426 T427 M428 A451 H454F396-L424 HydrophobicContact CE2-CD2 3.76Å; F396-L424 HydrophobicContact CZ-CD2 4.1Å; V420-L424 HydrophobicContact CG1-CD1 4.26Å; V420-L424 WeakPolarHBondContact O-CG 3.41Å; V420-L424 PolarHBondContact O-N 3.07Å; V420-L424 VanDerWaalsContact O-N 3.1Å; Q421-L424 PolarHBondContact O-N 3.11Å; L424-L426 VanDerWaalsContact C-N 3.31Å; L424-L426 PolarHBondContact O-N 2.87Å; L424-T427 PolarHBondContact O-N 2.81Å; L424-M428 HydrophobicContact CD2-CE 3.82Å; L424-M428 VanDerWaalsContact O-CB 3.25Å; L424-M428 WeakPolarHBondContact O-CB 3.4Å; L424-M428 WeakPolarHBondContact O-CG 3.31Å; L424-M428 PolarHBondContact O-N 3.12Å; L424-A451 HydrophobicContact CD1-CB 4.3Å; L424-A451 HydrophobicContact CD2-CB 4.2Å; L424-A451 HydrophobicContact CG-CB 4.02Å; L424-H454 HydrophobicContact CD1-CB 3.93Å
425S86.6Confident83.3Confident77 Ų7762.2 Ų62.254%0.53835%0.354SS..Hα-helixtrans-63.2-38.1174.952.30000112.4Q421 K422 D429Q421-S425 PolarHBondContact O-N 2.9Å; Q421-S425 PolarHBondContact O-OG 3.46Å; K422-S425 WeakPolarHBondContact CA-OG 3.02Å; K422-S425 PolarHBondContact O-N 3.25Å; K422-S425 PolarHBondContact O-OG 3.05Å; S425-D429 PolarHBondContact O-N 2.85Å
426L86.9Confident82.8Confident56 Ų5662.5 Ų62.529%0.29336%0.355SS..Hα-helixtrans-75.6-27.8-179.8-69.5170.1000113.2K422 L423 L424 T432 C433 V436 W443K422-L426 HydrophobicContact CG-CD1 3.95Å; K422-L426 VanDerWaalsContact O-CG 3.32Å; K422-L426 WeakPolarHBondContact O-CG 3.49Å; K422-L426 PolarHBondContact O-N 3.18Å; K422-L426 VanDerWaalsContact O-N 3.1Å; L423-L426 PolarHBondContact O-N 3.25Å; L424-L426 VanDerWaalsContact C-N 3.31Å; L424-L426 PolarHBondContact O-N 2.87Å; L426-T432 CarbonylContact O-C 3.59Å; L426-T432 PolarHBondContact O-OG1 3.12Å; L426-C433 PolarHBondContact O-N 2.83Å; L426-V436 HydrophobicContact CB-CG2 3.7Å; L426-W443 HydrophobicContact CD1-CZ2 4.29Å
427T84.9Confident82.4Confident1 Ų165.8 Ų65.81%0.00637%0.366CS..Hα-helixtrans-91.7-21.4177.658.20000114.1V392 F396 L423 L424 C433 V436V392-T427 WeakPolarHBondContact CG1-OG1 3.27Å; V392-T427 WeakPolarHBondContact CG2-O 3.34Å; F396-T427 HydrophobicContact CE1-CG2 4.03Å; F396-T427 HydrophobicContact CZ-CG2 4.19Å; L423-T427 HydrophobicContact CD1-CG2 4.18Å; L423-T427 WeakPolarHBondContact O-CG2 3.43Å; L423-T427 PolarHBondContact O-N 3.04Å; L423-T427 PolarHBondContact O-OG1 3.2Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å; L424-T427 PolarHBondContact O-N 2.81Å; T427-C433 VanDerWaalsContact O-CB 3.31Å; T427-C433 WeakPolarHBondContact O-CB 3.5Å; T427-C433 PolarHBondContact O-SG 2.86Å; T427-V436 HydrophobicContact CG2-CB 4Å; T427-V436 HydrophobicContact CG2-CG1 3.82Å; T427-V436 HydrophobicContact CG2-CG2 3.95Å
428M82.5Confident82.3Confident55 Ų5562.6 Ų62.627%0.27134%0.342SS..Hα-helixtrans-89.2-16.9178.9-63.8-66.7171.300114.1V392 L424 P430 Y455V392-M428 HydrophobicContact CB-CE 3.96Å; V392-M428 HydrophobicContact CB-SD 4.45Å; V392-M428 HydrophobicContact CG1-CE 3.77Å; V392-M428 HydrophobicContact CG2-CE 4.21Å; V392-M428 HydrophobicContact CG2-SD 4.09Å; L424-M428 HydrophobicContact CD2-CE 3.82Å; L424-M428 VanDerWaalsContact O-CB 3.25Å; L424-M428 WeakPolarHBondContact O-CB 3.4Å; L424-M428 WeakPolarHBondContact O-CG 3.31Å; L424-M428 PolarHBondContact O-N 3.12Å; M428-P430 WeakPolarHBondContact O-CD 3.5Å; M428-Y455 HydrophobicContact CE-CD2 3.31Å; M428-Y455 HydrophobicContact CE-CE2 3.73Å; M428-Y455 HydrophobicContact CE-CG 3.99Å; M428-Y455 HydrophobicContact SD-CD2 4.44Å; M428-Y455 HydrophobicContact SD-CE2 4.46Å
429D81.6Confident81.7Confident65 Ų6563.9 Ų63.935%0.34834%0.343SS..SBendtrans-77.9118.8164.7-175.1-17.4000109.3S425 K431 T432 C433S425-D429 PolarHBondContact O-N 2.85Å; D429-K431 PolarHBondContact O-N 3.04Å; D429-K431 VanDerWaalsContact OD1-CB 3.3Å; D429-K431 WeakPolarHBondContact OD1-CB 3.33Å; D429-K431 WeakPolarHBondContact OD1-CG 3.42Å; D429-K431 PolarHBondContact OD1-N 3.02Å; D429-T432 PolarHBondContact O-N 3.1Å; D429-T432 VanDerWaalsContact O-N 3.16Å; D429-C433 WeakPolarHBondContact O-CB 3.33Å; D429-C433 PolarHBondContact O-N 3.47Å
430P71.9Confident81.2Confident95 Ų9564.5 Ų64.562%0.61735%0.348SS*.THydrogen-bonded Turntrans-57.5-20.4177.6-25.335.9000114.6M428M428-P430 WeakPolarHBondContact O-CD 3.5Å
431K73.8Confident80.5Confident173 Ų17370 Ų7075%0.75238%0.384SS*.THydrogen-bonded Turntrans-76.6-35.3178.9-61.7168.6-174.4165.70113D429D429-K431 PolarHBondContact O-N 3.04Å; D429-K431 VanDerWaalsContact OD1-CB 3.3Å; D429-K431 WeakPolarHBondContact OD1-CB 3.33Å; D429-K431 WeakPolarHBondContact OD1-CG 3.42Å; D429-K431 PolarHBondContact OD1-N 3.02Å
432T76.8Confident80.3Confident42 Ų4268 Ų6826%0.25838%0.375SS..THydrogen-bonded Turntrans-104.7-15.3-176.856.70000113.3L426 D429 A434 D435 V436L426-T432 CarbonylContact O-C 3.59Å; L426-T432 PolarHBondContact O-OG1 3.12Å; D429-T432 PolarHBondContact O-N 3.1Å; D429-T432 VanDerWaalsContact O-N 3.16Å; T432-A434 PolarHBondContact O-N 3.28Å; T432-A434 VanDerWaalsContact O-N 3.1Å; T432-D435 PolarHBondContact O-N 3.27Å; T432-V436 PolarHBondContact O-N 3.21Å
433C75.9Confident80.2Confident22 Ų2264.2 Ų64.215%0.14936%0.358CS..THydrogen-bonded Turntrans-56.2-29-178.8179.90000114K395 L426 T427 D429K395-C433 PolarHBondContact NZ-O 2.99Å; L426-C433 PolarHBondContact O-N 2.83Å; T427-C433 VanDerWaalsContact O-CB 3.31Å; T427-C433 WeakPolarHBondContact O-CB 3.5Å; T427-C433 PolarHBondContact O-SG 2.86Å; D429-C433 WeakPolarHBondContact O-CB 3.33Å; D429-C433 PolarHBondContact O-N 3.47Å
434A69.9Low80.3Confident80 Ų8067.1 Ų67.166%0.66137%0.372SS*.THydrogen-bonded Turntrans-63.8-51.8174.800000111.1K395 T432 V436K395-A434 PolarHBondContact NZ-O 3.37Å; T432-A434 PolarHBondContact O-N 3.28Å; T432-A434 VanDerWaalsContact O-N 3.1Å; A434-V436 VanDerWaalsContact C-N 3.26Å; A434-V436 PolarHBondContact O-N 3.08Å
435D71.9Confident80.6Confident124 Ų12466.3 Ų66.366%0.66337%0.368SS*.THydrogen-bonded Turntrans-72.6-11.9-170.3-47.1-40.4000114.3T432 E437T432-D435 PolarHBondContact O-N 3.27Å; D435-E437 PolarHBondContact O-N 3.47Å
436V79.1Confident80.9Confident11 Ų1166 Ų667%0.06736%0.357CS..  trans-74.591.3177-175.50000110.6K395 L423 L426 T427 T432 A434 L438K395-V436 WeakPolarHBondContact CE-O 3.3Å; K395-V436 PolarHBondContact NZ-O 2.73Å; L423-V436 HydrophobicContact CD1-CG1 3.91Å; L426-V436 HydrophobicContact CB-CG2 3.7Å; T427-V436 HydrophobicContact CG2-CB 4Å; T427-V436 HydrophobicContact CG2-CG1 3.82Å; T427-V436 HydrophobicContact CG2-CG2 3.95Å; T432-V436 PolarHBondContact O-N 3.21Å; A434-V436 VanDerWaalsContact C-N 3.26Å; A434-V436 PolarHBondContact O-N 3.08Å; V436-L438 HydrophobicContact CG1-CD2 3.88Å; V436-L438 PolarHBondContact O-N 3.22Å
437E81Confident81.3Confident145 Ų14563.3 Ų63.368%0.67834%0.343SS*.  trans-73.2116167.7-66.2-175.3164.500110.4D435 D439 N440D435-E437 PolarHBondContact O-N 3.47Å; E437-D439 VanDerWaalsContact C-N 3.34Å; E437-N440 WeakPolarHBondContact O-CB 3.4Å
438L82.9Confident81.7Confident9 Ų963.3 Ų63.35%0.04734%0.342CS..THydrogen-bonded Turntrans-83.4-9-178.8-66.2-178.2000113.8K395 F396 A399 R403 L423 V436 N440 I448K395-L438 HydrophobicContact CB-CD1 4.39Å; K395-L438 HydrophobicContact CG-CD1 3.77Å; K395-L438 HydrophobicContact CG-CG 4.5Å; K395-L438 VanDerWaalsContact O-CD1 3.28Å; K395-L438 WeakPolarHBondContact O-CD1 3.42Å; F396-L438 HydrophobicContact CD1-CD1 3.75Å; F396-L438 HydrophobicContact CD1-CD2 4.25Å; F396-L438 HydrophobicContact CE1-CD1 4.36Å; F396-L438 HydrophobicContact CE1-CD2 4.13Å; A399-L438 HydrophobicContact CB-CB 3.97Å; A399-L438 HydrophobicContact CB-CD1 3.87Å; R403-L438 PolarHBondContact NE-O 2.94Å; R403-L438 PolarHBondContact NH2-O 3.15Å; L423-L438 HydrophobicContact CD1-CD2 3.92Å; V436-L438 HydrophobicContact CG1-CD2 3.88Å; V436-L438 PolarHBondContact O-N 3.22Å; L438-N440 VanDerWaalsContact C-N 3.28Å; L438-I448 HydrophobicContact CB-CD1 4.38Å; L438-I448 HydrophobicContact CD2-CD1 4.35Å
439D75.3Confident82.4Confident110 Ų11060.8 Ų60.859%0.58833%0.33SS*.THydrogen-bonded Turntrans-85.8-5.5175.5-57.9-50.1000112.4R403 E437R403-D439 WeakPolarHBondContact CD-OD1 3.46Å; R403-D439 IonicContact NE-OD1 3.88Å; R403-D439 PolarHBondContact NE-OD1 3.16Å; E437-D439 VanDerWaalsContact C-N 3.34Å
440N79.5Confident82.9Confident67 Ų6758 Ų5836%0.35832%0.316SS..SBendtrans-62.9127.1169.1179.2-21.9000110.6E437 L438 E442 W443E437-N440 WeakPolarHBondContact O-CB 3.4Å; L438-N440 VanDerWaalsContact C-N 3.28Å; N440-E442 PolarHBondContact O-N 3.34Å; N440-E442 WeakPolarHBondContact OD1-CB 3.35Å; N440-E442 PolarHBondContact OD1-N 3.27Å; N440-W443 PolarHBondContact O-N 3.42Å
441P75.6Confident84Confident120 Ų12053.5 Ų53.578%0.77929%0.286SS*.THydrogen-bonded Turntrans-64.7-6-178.826.5-35.4000115.3W443P441-W443 PolarHBondContact O-N 2.72Å
442E82.2Confident85Confident70 Ų7045.2 Ų45.233%0.32725%0.251SS..THydrogen-bonded Turntrans-55.3-35.3164.4-173.8177.2-177.700111.5K419 K422 N440 E444K419-E442 PolarHBondContact NZ-O 3.32Å; K422-E442 IonicContact NZ-OE1 2.61Å; K422-E442 PolarHBondContact NZ-OE1 3Å; K422-E442 IonicContact NZ-OE2 3.99Å; K422-E442 PolarHBondContact NZ-OE2 2.97Å; N440-E442 PolarHBondContact O-N 3.34Å; N440-E442 WeakPolarHBondContact OD1-CB 3.35Å; N440-E442 PolarHBondContact OD1-N 3.27Å; E442-E444 PolarHBondContact O-N 2.96Å
443W88.4Confident85.8Confident9 Ų944.3 Ų44.33%0.03424%0.243CC..SBendtrans-99.573.2-171.8-53.1123.7000113R403 K419 K422 L423 L426 N440 P441 T447 I448R403-W443 PolarHBondContact NH2-O 3.32Å; K419-W443 HydrophobicContact CB-CZ3 4.33Å; K422-W443 HydrophobicContact CB-CH2 4.42Å; K422-W443 HydrophobicContact CD-CH2 3.87Å; K422-W443 HydrophobicContact CG-CH2 4.05Å; L423-W443 HydrophobicContact CB-CE3 4.06Å; L423-W443 HydrophobicContact CB-CH2 3.99Å; L423-W443 HydrophobicContact CB-CZ3 3.67Å; L423-W443 HydrophobicContact CD1-CD2 3.89Å; L423-W443 HydrophobicContact CD1-CE3 4.06Å; L423-W443 HydrophobicContact CD1-CG 4.41Å; L423-W443 HydrophobicContact CD1-CH2 4.26Å; L423-W443 HydrophobicContact CD1-CZ2 4.12Å; L423-W443 HydrophobicContact CD1-CZ3 4.25Å; L423-W443 HydrophobicContact CD2-CE3 4.16Å; L423-W443 HydrophobicContact CG-CE3 4.32Å; L423-W443 HydrophobicContact CG-CZ3 4.38Å; L426-W443 HydrophobicContact CD1-CZ2 4.29Å; N440-W443 PolarHBondContact O-N 3.42Å; P441-W443 PolarHBondContact O-N 2.72Å; W443-T447 HydrophobicContact CE3-CG2 4.31Å; W443-I448 HydrophobicContact CB-CD1 4.26Å; W443-I448 HydrophobicContact CB-CG1 4.39Å
444E91.9Very high86.5Confident62 Ų6245.4 Ų45.429%0.2925%0.246SC..  trans-51.7142.4170.2-57.9159.198.600111.8K419 E442 K446 T447 I448K419-E444 IonicContact NZ-OE2 2.83Å; K419-E444 PolarHBondContact NZ-OE2 3.24Å; E442-E444 PolarHBondContact O-N 2.96Å; E444-K446 VanDerWaalsContact C-N 3.3Å; E444-K446 HydrophobicContact CB-CG 4.06Å; E444-K446 PolarHBondContact O-N 3.37Å; E444-K446 WeakPolarHBondContact OE1-CE 3.34Å; E444-K446 IonicContact OE1-NZ 3.61Å; E444-K446 PolarHBondContact OE1-NZ 3.38Å; E444-T447 WeakPolarHBondContact O-CA 3.39Å; E444-T447 WeakPolarHBondContact O-CB 3.38Å; E444-T447 PolarHBondContact O-N 3.48Å; E444-I448 PolarHBondContact O-N 3.27Å
445I94.4Very high87.6Confident0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-60.1-36.5-175.7-67.9-65.4000112.7R403 E407 L410 T447 I448 T449R403-I445 HydrophobicContact CG-CD1 4.32Å; E407-I445 VanDerWaalsContact OE1-CB 3.31Å; E407-I445 WeakPolarHBondContact OE1-CB 3.33Å; E407-I445 WeakPolarHBondContact OE1-CG1 3.32Å; L410-I445 HydrophobicContact CD2-CG2 3.46Å; L410-I445 VanDerWaalsContact CD2-CG2 3.46Å; I445-T447 PolarHBondContact O-N 3.1Å; I445-T447 VanDerWaalsContact O-N 3.16Å; I445-I448 HydrophobicContact CD1-CD1 4.4Å; I445-I448 PolarHBondContact O-N 3.39Å; I445-I448 VanDerWaalsContact O-N 3.1Å; I445-T449 HydrophobicContact CG2-CG2 3.99Å; I445-T449 WeakPolarHBondContact O-CB 3.43Å; I445-T449 WeakPolarHBondContact O-CG2 3.46Å; I445-T449 PolarHBondContact O-N 2.99Å; I445-T449 PolarHBondContact O-OG1 3.39Å
446K93.1Very high88.6Confident70 Ų7036 Ų3630%0.30418%0.184SC..Hα-helixtrans-55.8-27.5170.567.1-168.9-179.8-138.90113.8I413 G415 E444 T449 S450I413-K446 HydrophobicContact CG2-CB 4.07Å; I413-K446 HydrophobicContact CG2-CD 4.19Å; G415-K446 WeakPolarHBondContact CA-O 3.36Å; G415-K446 PolarHBondContact N-O 2.99Å; E444-K446 VanDerWaalsContact C-N 3.3Å; E444-K446 HydrophobicContact CB-CG 4.06Å; E444-K446 PolarHBondContact O-N 3.37Å; E444-K446 WeakPolarHBondContact OE1-CE 3.34Å; E444-K446 IonicContact OE1-NZ 3.61Å; E444-K446 PolarHBondContact OE1-NZ 3.38Å; K446-T449 WeakPolarHBondContact CA-OG1 3.39Å; K446-T449 PolarHBondContact O-OG1 2.71Å; K446-S450 WeakPolarHBondContact O-CB 3.5Å; K446-S450 PolarHBondContact O-N 2.71Å; K446-S450 PolarHBondContact O-OG 3.25Å
447T94.3Very high89.1Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-78.3-45.3173.9-56.40000111K419 V420 L423 W443 E444 I445 S450 A451K419-T447 HydrophobicContact CB-CG2 3.74Å; V420-T447 HydrophobicContact CG2-CG2 3.89Å; L423-T447 HydrophobicContact CD2-CG2 4.27Å; W443-T447 HydrophobicContact CE3-CG2 4.31Å; E444-T447 WeakPolarHBondContact O-CA 3.39Å; E444-T447 WeakPolarHBondContact O-CB 3.38Å; E444-T447 PolarHBondContact O-N 3.48Å; I445-T447 PolarHBondContact O-N 3.1Å; I445-T447 VanDerWaalsContact O-N 3.16Å; T447-S450 PolarHBondContact O-N 3.16Å; T447-A451 WeakPolarHBondContact O-CB 3.39Å; T447-A451 PolarHBondContact O-N 2.79Å
448I94.5Very high89.3Confident0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-63.7-48.6178.5-62179.1000111.1F396 A399 V400 L423 L438 W443 E444 I445 S450 A451 I452F396-I448 HydrophobicContact CB-CG2 3.73Å; F396-I448 HydrophobicContact CD1-CG2 3.97Å; F396-I448 HydrophobicContact CG-CG2 4Å; A399-I448 HydrophobicContact CB-CD1 4.07Å; V400-I448 HydrophobicContact CG2-CG2 3.92Å; L423-I448 HydrophobicContact CD2-CG1 4.13Å; L438-I448 HydrophobicContact CB-CD1 4.38Å; L438-I448 HydrophobicContact CD2-CD1 4.35Å; W443-I448 HydrophobicContact CB-CD1 4.26Å; W443-I448 HydrophobicContact CB-CG1 4.39Å; E444-I448 PolarHBondContact O-N 3.27Å; I445-I448 HydrophobicContact CD1-CD1 4.4Å; I445-I448 PolarHBondContact O-N 3.39Å; I445-I448 VanDerWaalsContact O-N 3.1Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 3.16Å; I448-A451 WeakPolarHBondContact O-CB 3.46Å; I448-A451 PolarHBondContact O-N 3.29Å; I448-A451 VanDerWaalsContact O-N 3.08Å; I448-I452 PolarHBondContact O-N 3.44Å
449T95.8Very high89.4Confident2 Ų238.5 Ų38.51%0.01219%0.191CC..Hα-helixtrans-61.8-34174.952.30000112.7V400 L410 Y411 I445 K446 K453V400-T449 HydrophobicContact CG1-CG2 4.31Å; V400-T449 HydrophobicContact CG2-CG2 3.78Å; L410-T449 HydrophobicContact CD2-CG2 3.72Å; Y411-T449 VanDerWaalsContact CD1-CB 3.48Å; Y411-T449 HydrophobicContact CD1-CG2 3.92Å; Y411-T449 WeakPolarHBondContact CD1-O 3.46Å; Y411-T449 HydrophobicContact CD2-CG2 4.22Å; Y411-T449 HydrophobicContact CE1-CG2 3.7Å; Y411-T449 HydrophobicContact CE2-CG2 4.02Å; Y411-T449 HydrophobicContact CG-CG2 4.16Å; I445-T449 HydrophobicContact CG2-CG2 3.99Å; I445-T449 WeakPolarHBondContact O-CB 3.43Å; I445-T449 WeakPolarHBondContact O-CG2 3.46Å; I445-T449 PolarHBondContact O-N 2.99Å; I445-T449 PolarHBondContact O-OG1 3.39Å; K446-T449 WeakPolarHBondContact CA-OG1 3.39Å; K446-T449 PolarHBondContact O-OG1 2.71Å; T449-K453 PolarHBondContact O-N 3.31Å
450S93.9Very high89.7Confident7 Ų736.9 Ų36.95%0.04919%0.186CC..Hα-helixtrans-72.6-31.7172.7-65.60000113G415 K446 T447 I448 K453 H454G415-S450 PolarHBondContact N-OG 2.99Å; K446-S450 WeakPolarHBondContact O-CB 3.5Å; K446-S450 PolarHBondContact O-N 2.71Å; K446-S450 PolarHBondContact O-OG 3.25Å; T447-S450 PolarHBondContact O-N 3.16Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 3.16Å; S450-K453 PolarHBondContact O-N 3.34Å; S450-H454 VanDerWaalsContact O-CB 3.3Å; S450-H454 WeakPolarHBondContact O-CB 3.21Å; S450-H454 PolarHBondContact O-N 3.08Å
451A93.9Very high89.9Confident0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-67-42.4173.600000112.1F396 V420 L423 L424 T447 I448 K453 H454 Y455F396-A451 HydrophobicContact CD2-CB 4.33Å; F396-A451 HydrophobicContact CE2-CB 3.7Å; F396-A451 HydrophobicContact CZ-CB 3.97Å; V420-A451 HydrophobicContact CG1-CB 4.16Å; L423-A451 HydrophobicContact CD2-CB 4.1Å; L424-A451 HydrophobicContact CD1-CB 4.3Å; L424-A451 HydrophobicContact CD2-CB 4.2Å; L424-A451 HydrophobicContact CG-CB 4.02Å; T447-A451 WeakPolarHBondContact O-CB 3.39Å; T447-A451 PolarHBondContact O-N 2.79Å; I448-A451 WeakPolarHBondContact O-CB 3.46Å; I448-A451 PolarHBondContact O-N 3.29Å; I448-A451 VanDerWaalsContact O-N 3.08Å; A451-K453 PolarHBondContact O-N 3.5Å; A451-H454 PolarHBondContact O-N 3.25Å; A451-H454 VanDerWaalsContact O-N 3.15Å; A451-Y455 WeakPolarHBondContact O-CB 3.39Å; A451-Y455 PolarHBondContact O-N 3.31Å
452I95.3Very high90.6Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-53-53.7170.1-70.6171.1000110.5M393 F396 I397 V400 Y411 I448 H454 L456 L506M393-I452 HydrophobicContact CE-CG2 4.09Å; M393-I452 HydrophobicContact SD-CB 4.49Å; M393-I452 HydrophobicContact SD-CG1 4.07Å; M393-I452 HydrophobicContact SD-CG2 3.93Å; F396-I452 HydrophobicContact CB-CD1 3.78Å; F396-I452 HydrophobicContact CB-CG1 3.7Å; F396-I452 HydrophobicContact CD2-CG1 3.87Å; F396-I452 HydrophobicContact CG-CG1 4.24Å; I397-I452 HydrophobicContact CG1-CD1 4.24Å; V400-I452 HydrophobicContact CG2-CD1 4.47Å; Y411-I452 HydrophobicContact CE1-CB 4.08Å; Y411-I452 HydrophobicContact CE1-CD1 3.99Å; Y411-I452 HydrophobicContact CE1-CG2 3.93Å; Y411-I452 WeakPolarHBondContact OH-CD1 3.41Å; I448-I452 PolarHBondContact O-N 3.44Å; I452-H454 VanDerWaalsContact C-N 3.29Å; I452-H454 PolarHBondContact O-N 3.32Å; I452-L456 HydrophobicContact CG2-CD1 4.1Å; I452-L456 WeakPolarHBondContact O-CG 3.27Å; I452-L456 PolarHBondContact O-N 3.01Å; I452-L506 HydrophobicContact CG2-CD1 4.33Å
453K93.9Very high91.1Very high22 Ų2226.3 Ų26.310%0.09613%0.13CC..Hα-helixtrans-64.6-28177.8-68.1-173.5-58.3173.50113.9Y411 T449 S450 A451 R457 V530 F531Y411-K453 HydrophobicContact CD1-CD 4.34Å; Y411-K453 HydrophobicContact CD1-CG 4.12Å; Y411-K453 WeakPolarHBondContact O-CE 3.46Å; Y411-K453 PolarHBondContact O-NZ 3.02Å; T449-K453 PolarHBondContact O-N 3.31Å; S450-K453 PolarHBondContact O-N 3.34Å; A451-K453 PolarHBondContact O-N 3.5Å; K453-R457 WeakPolarHBondContact O-CG 3.35Å; K453-R457 PolarHBondContact O-NE 3.26Å; K453-V530 HydrophobicContact CD-CG1 3.6Å; K453-F531 HydrophobicContact CG-CE1 4.19Å; K453-F531 HydrophobicContact CG-CZ 4.07Å
454H90.6Very high91.3Very high46 Ų4625.9 Ų25.921%0.21313%0.128CC..Hα-helixtrans-79.1-46.4-179.9-169.990000111V420 L424 S450 A451 I452 L456 R457 M458V420-H454 HydrophobicContact CG1-CB 3.98Å; L424-H454 HydrophobicContact CD1-CB 3.93Å; S450-H454 VanDerWaalsContact O-CB 3.3Å; S450-H454 WeakPolarHBondContact O-CB 3.21Å; S450-H454 PolarHBondContact O-N 3.08Å; A451-H454 PolarHBondContact O-N 3.25Å; A451-H454 VanDerWaalsContact O-N 3.15Å; I452-H454 VanDerWaalsContact C-N 3.29Å; I452-H454 PolarHBondContact O-N 3.32Å; H454-L456 VanDerWaalsContact C-N 3.35Å; H454-L456 PolarHBondContact O-N 2.89Å; H454-R457 PolarHBondContact O-N 3.13Å; H454-M458 WeakPolarHBondContact O-CG 3.45Å; H454-M458 PolarHBondContact O-N 3.3Å
455Y92.9Very high91.1Very high6 Ų623.8 Ų23.82%0.02412%0.12CC..Hα-helixtrans-54.9-46.9173.5164.3-99.7000112.3A383 Q384 G389 M393 M428 A451 R457 M458 L459 M502A383-Y455 HydrophobicContact CB-CD2 4.01Å; A383-Y455 HydrophobicContact CB-CE2 4.11Å; Q384-Y455 PolarHBondContact O-OH 3.4Å; G389-Y455 WeakPolarHBondContact CA-OH 3.47Å; M393-Y455 HydrophobicContact CE-CD1 3.45Å; M393-Y455 VanDerWaalsContact CE-CD1 3.45Å; M393-Y455 HydrophobicContact CE-CE1 3.71Å; M428-Y455 HydrophobicContact CE-CD2 3.31Å; M428-Y455 HydrophobicContact CE-CE2 3.73Å; M428-Y455 HydrophobicContact CE-CG 3.99Å; M428-Y455 HydrophobicContact SD-CD2 4.44Å; M428-Y455 HydrophobicContact SD-CE2 4.46Å; A451-Y455 WeakPolarHBondContact O-CB 3.39Å; A451-Y455 PolarHBondContact O-N 3.31Å; Y455-R457 PolarHBondContact O-N 2.95Å; Y455-M458 PolarHBondContact O-N 2.98Å; Y455-L459 HydrophobicContact CE2-CD2 4.32Å; Y455-L459 PolarHBondContact O-N 3.32Å; Y455-M502 HydrophobicContact CE1-CE 4.25Å; Y455-M502 HydrophobicContact CE1-SD 3.65Å
456L92.4Very high90.7Very high1 Ų127.8 Ų27.81%0.00514%0.136CC..Hα-helixtrans-62.6-25.8177.9-68167.8000113.6M393 I452 H454 L459 L463 L506 F531 T534 L535 R537M393-L456 HydrophobicContact CE-CD1 4.3Å; M393-L456 HydrophobicContact CE-CD2 4.09Å; M393-L456 HydrophobicContact CE-CG 4.02Å; I452-L456 HydrophobicContact CG2-CD1 4.1Å; I452-L456 WeakPolarHBondContact O-CG 3.27Å; I452-L456 PolarHBondContact O-N 3.01Å; H454-L456 VanDerWaalsContact C-N 3.35Å; H454-L456 PolarHBondContact O-N 2.89Å; L456-L459 HydrophobicContact CD2-CD1 4.41Å; L456-L463 HydrophobicContact CD2-CD2 4.1Å; L456-L506 HydrophobicContact CD1-CD1 4.45Å; L456-L506 HydrophobicContact CD1-CD2 3.76Å; L456-F531 HydrophobicContact CD1-CE1 4.02Å; L456-T534 HydrophobicContact CB-CG2 3.84Å; L456-T534 HydrophobicContact CD1-CG2 4.34Å; L456-L535 HydrophobicContact CD1-CD2 4.28Å; L456-R537 PolarHBondContact O-NH1 2.84Å; L456-R537 PolarHBondContact O-NH2 3.36Å
457R88.5Confident90.3Very high124 Ų12431.7 Ų31.747%0.46816%0.155SC..Hα-helixtrans-83.5-27.1174.2-73.8-179.3-67.2163.32.8113.4K453 H454 Y455 L459 T534 R537K453-R457 WeakPolarHBondContact O-CG 3.35Å; K453-R457 PolarHBondContact O-NE 3.26Å; H454-R457 PolarHBondContact O-N 3.13Å; Y455-R457 PolarHBondContact O-N 2.95Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.19Å; R457-T534 HydrophobicContact CG-CG2 4.21Å; R457-R537 PolarHBondContact O-NH2 2.97Å
458M85.8Confident90Very high82 Ų8233.1 Ų33.140%0.40416%0.161SC..Hα-helixtrans-79.4-4177.7-71.7-56.2-55.900114.8A383 H454 Y455A383-M458 HydrophobicContact CB-CB 3.91Å; A383-M458 PolarHBondContact N-O 3.04Å; H454-M458 WeakPolarHBondContact O-CG 3.45Å; H454-M458 PolarHBondContact O-N 3.3Å; Y455-M458 PolarHBondContact O-N 2.98Å
459L85.8Confident89.8Confident11 Ų1133.8 Ų33.86%0.05816%0.164CC..SBendtrans-67.2137172-61.4176.6000110.9A383 L385 Y455 L456 R457 A461 L463 R537A383-L459 HydrophobicContact CB-CD2 4.33Å; L385-L459 HydrophobicContact CD2-CD1 3.93Å; L385-L459 HydrophobicContact CD2-CD2 3.91Å; L385-L459 HydrophobicContact CG-CD2 4.22Å; Y455-L459 HydrophobicContact CE2-CD2 4.32Å; Y455-L459 PolarHBondContact O-N 3.32Å; L456-L459 HydrophobicContact CD2-CD1 4.41Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.19Å; L459-A461 VanDerWaalsContact CB-O 3.23Å; L459-A461 WeakPolarHBondContact CB-O 3.44Å; L459-A461 PolarHBondContact O-N 2.87Å; L459-L463 HydrophobicContact CD1-CD1 4.41Å; L459-R537 PolarHBondContact O-NH2 3.09Å
460P81.3Confident89.4Confident75 Ų7542.5 Ų42.549%0.48720%0.197SC..SBendtrans-52.8-25.6178.9-28.229.7000115.5M382 A383M382-P460 HydrophobicContact CB-CG 4.14Å; M382-P460 HydrophobicContact SD-CB 4.05Å; M382-P460 HydrophobicContact SD-CG 3.82Å; A383-P460 WeakPolarHBondContact O-CD 3.33Å
461A84.4Confident89.3Confident35 Ų3544.4 Ų44.429%0.28921%0.21SC..SBendtrans-132.5156.3169.300000109.2L459 Y466 R537L459-A461 VanDerWaalsContact CB-O 3.23Å; L459-A461 WeakPolarHBondContact CB-O 3.44Å; L459-A461 PolarHBondContact O-N 2.87Å; A461-Y466 HydrophobicContact CB-CD2 4.04Å; A461-Y466 HydrophobicContact CB-CE2 4.04Å; A461-R537 PolarHBondContact O-NH2 2.98Å
462P89.8Confident89.3Confident0 Ų044.4 Ų44.40%021%0.21CC..  trans-53.7151.916721-31.6000111.3M464 T465 Y466 L535 R537P462-M464 PolarHBondContact O-N 3.39Å; P462-M464 VanDerWaalsContact O-N 3.15Å; P462-T465 WeakPolarHBondContact O-CA 3.35Å; P462-T465 PolarHBondContact O-N 2.93Å; P462-Y466 VanDerWaalsContact CD-CE1 3.42Å; P462-Y466 VanDerWaalsContact CD-CE2 3.48Å; P462-Y466 HydrophobicContact CG-CD1 3.77Å; P462-Y466 HydrophobicContact CG-CE1 3.76Å; P462-Y466 HydrophobicContact CG-CG 4.18Å; P462-L535 VanDerWaalsContact CB-O 3.32Å; P462-L535 WeakPolarHBondContact CB-O 3.17Å; P462-R537 HydrophobicContact CB-CB 4.07Å; P462-R537 HydrophobicContact CB-CG 4.44Å; P462-R537 HydrophobicContact CG-CB 4.26Å
463L92.4Very high89.2Confident0 Ų044.6 Ų44.60%021%0.211CC..THydrogen-bonded Turntrans-58.7-33.1-176.3-174.860.2000111.9L385 L456 L459 T465 N499 M502 L503 L535L385-L463 HydrophobicContact CD1-CD1 4.15Å; L385-L463 HydrophobicContact CD2-CD1 4.33Å; L456-L463 HydrophobicContact CD2-CD2 4.1Å; L459-L463 HydrophobicContact CD1-CD1 4.41Å; L463-T465 VanDerWaalsContact C-N 3.32Å; L463-N499 HydrophobicContact CD1-CB 4.21Å; L463-N499 WeakPolarHBondContact O-CB 3.31Å; L463-N499 PolarHBondContact O-ND2 3.44Å; L463-M502 HydrophobicContact CD1-CB 4.16Å; L463-M502 HydrophobicContact CD1-CG 4.31Å; L463-M502 HydrophobicContact CD2-CG 4.28Å; L463-L503 HydrophobicContact CD2-CB 4.01Å; L463-L503 HydrophobicContact CD2-CD1 3.9Å; L463-L503 HydrophobicContact CG-CB 4.42Å; L463-L503 HydrophobicContact CG-CD1 4.48Å; L463-L535 HydrophobicContact CB-CD2 3.94Å; L463-L535 HydrophobicContact CD2-CD2 3.94Å
464M92.1Very high89.1Confident0 Ų051.1 Ų51.10%024%0.239CC..THydrogen-bonded Turntrans-88.44176.6-58.6-177.566.700114P462 F472 L495 L503 L535 L536 V555 L559P462-M464 PolarHBondContact O-N 3.39Å; P462-M464 VanDerWaalsContact O-N 3.15Å; M464-F472 HydrophobicContact CB-CD2 4.38Å; M464-F472 HydrophobicContact CB-CE2 4.16Å; M464-F472 HydrophobicContact CE-CD1 3.51Å; M464-F472 HydrophobicContact CE-CD2 3.7Å; M464-F472 HydrophobicContact CE-CE1 3.39Å; M464-F472 HydrophobicContact CE-CE2 3.58Å; M464-F472 HydrophobicContact CE-CG 3.67Å; M464-F472 HydrophobicContact CE-CZ 3.43Å; M464-F472 VanDerWaalsContact CE-CZ 3.43Å; M464-L495 WeakPolarHBondContact O-CD2 3.23Å; M464-L503 HydrophobicContact CG-CD1 4.29Å; M464-L503 HydrophobicContact CG-CD2 4.21Å; M464-L503 HydrophobicContact SD-CD1 4.44Å; M464-L535 HydrophobicContact CG-CB 4.46Å; M464-L535 PolarHBondContact N-O 2.73Å; M464-L535 HydrophobicContact SD-CB 4.25Å; M464-L536 HydrophobicContact CB-CD2 3.67Å; M464-L536 HydrophobicContact CB-CG 4.23Å; M464-L536 HydrophobicContact CE-CD1 4.39Å; M464-L536 HydrophobicContact CE-CD2 4.09Å; M464-L536 HydrophobicContact CE-CG 4.4Å; M464-L536 HydrophobicContact CG-CD2 4.32Å; M464-L536 HydrophobicContact CG-CG 4.45Å; M464-L536 HydrophobicContact SD-CD1 3.93Å; M464-L536 HydrophobicContact SD-CD2 3.88Å; M464-L536 HydrophobicContact SD-CG 3.67Å; M464-V555 HydrophobicContact CE-CG1 3.71Å; M464-V555 HydrophobicContact SD-CG1 4.44Å; M464-L559 HydrophobicContact CE-CD1 3.66Å; M464-L559 HydrophobicContact SD-CD1 3.87Å
465T88.9Confident89.2Confident18 Ų1849 Ų4911%0.1123%0.23CC..  trans64.8146.8177.678.10000116.2P462 L463 Q467 Y468 Q469 L495 P496P462-T465 WeakPolarHBondContact O-CA 3.35Å; P462-T465 PolarHBondContact O-N 2.93Å; L463-T465 VanDerWaalsContact C-N 3.32Å; T465-Q467 VanDerWaalsContact C-N 3.26Å; T465-Q467 PolarHBondContact O-N 2.99Å; T465-Y468 PolarHBondContact O-N 3.14Å; T465-Y468 WeakPolarHBondContact OG1-CD2 3.49Å; T465-Y468 PolarHBondContact OG1-N 2.96Å; T465-Q469 PolarHBondContact O-N 3.15Å; T465-Q469 VanDerWaalsContact O-N 3.15Å; T465-L495 HydrophobicContact CG2-CD2 4.35Å; T465-P496 HydrophobicContact CG2-CG 4.49Å
466Y84.4Confident89.3Confident85 Ų8548.9 Ų48.933%0.33323%0.23SC..Hα-helixtrans-62.6-32.7173.3-61.9-62000112.6A461 P462 Y468 R537 Q539A461-Y466 HydrophobicContact CB-CD2 4.04Å; A461-Y466 HydrophobicContact CB-CE2 4.04Å; P462-Y466 VanDerWaalsContact CD-CE1 3.42Å; P462-Y466 VanDerWaalsContact CD-CE2 3.48Å; P462-Y466 HydrophobicContact CG-CD1 3.77Å; P462-Y466 HydrophobicContact CG-CE1 3.76Å; P462-Y466 HydrophobicContact CG-CG 4.18Å; Y466-Y468 VanDerWaalsContact C-N 3.35Å; Y466-Y468 PolarHBondContact O-N 3.4Å; Y466-R537 WeakPolarHBondContact CE1-O 3.5Å; Y466-Q539 HydrophobicContact CD1-CB 3.81Å; Y466-Q539 HydrophobicContact CD1-CG 4.45Å; Y466-Q539 HydrophobicContact CE1-CB 4.11Å; Y466-Q539 HydrophobicContact CG-CB 4.37Å
467Q86.4Confident89.2Confident151 Ų15150.9 Ų50.971%0.70624%0.238SC*.Hα-helixtrans-60.9-39.9-179-177.8178.74.300113T465T465-Q467 VanDerWaalsContact C-N 3.26Å; T465-Q467 PolarHBondContact O-N 2.99Å
468Y87.9Confident89.4Confident30 Ų3048.3 Ų48.312%0.11823%0.233CC..Hα-helixtrans-101.1-9.3-177.1-63.8-62.7000114T465 Y466 R470 S471 F472 L491 R494 L495T465-Y468 PolarHBondContact O-N 3.14Å; T465-Y468 WeakPolarHBondContact OG1-CD2 3.49Å; T465-Y468 PolarHBondContact OG1-N 2.96Å; Y466-Y468 VanDerWaalsContact C-N 3.35Å; Y466-Y468 PolarHBondContact O-N 3.4Å; Y468-R470 PolarHBondContact O-N 2.95Å; Y468-S471 WeakPolarHBondContact O-CA 3.41Å; Y468-S471 WeakPolarHBondContact O-CB 3.46Å; Y468-S471 PolarHBondContact O-N 3.3Å; Y468-F472 VanDerWaalsContact O-CD2 3.27Å; Y468-F472 WeakPolarHBondContact O-CD2 3.33Å; Y468-F472 PolarHBondContact O-N 3.28Å; Y468-L491 HydrophobicContact CD1-CD2 4.32Å; Y468-R494 HydrophobicContact CE1-CB 4.32Å; Y468-R494 HydrophobicContact CE2-CB 4.49Å; Y468-R494 WeakPolarHBondContact CE2-O 3.29Å; Y468-R494 PolarHBondContact OH-O 3.43Å; Y468-R494 VanDerWaalsContact OH-O 3.09Å; Y468-L495 HydrophobicContact CD2-CD2 3.97Å
469Q88.6Confident89.4Confident15 Ų1551.9 Ų51.97%0.0725%0.253CS..Hα-helixtrans-49.3-52.7-178.5-174.9-85.8-8.900112.3T465 S471 F472 I473 L536T465-Q469 PolarHBondContact O-N 3.15Å; T465-Q469 VanDerWaalsContact O-N 3.15Å; Q469-S471 VanDerWaalsContact C-N 3.26Å; Q469-S471 PolarHBondContact O-N 3.16Å; Q469-F472 PolarHBondContact O-N 3.34Å; Q469-I473 WeakPolarHBondContact O-CG1 3.48Å; Q469-I473 PolarHBondContact O-N 2.97Å; Q469-L536 HydrophobicContact CB-CD2 4.46Å; Q469-L536 HydrophobicContact CG-CD2 4.21Å; Q469-L536 WeakPolarHBondContact CG-O 3.34Å
470R87.3Confident89.6Confident185 Ų18555.8 Ų55.870%0.69827%0.274SS*.Hα-helixtrans-61.9-31.7178.9-68.6-175.1178.8171.21.3113.1Y468 K474Y468-R470 PolarHBondContact O-N 2.95Å; R470-K474 WeakPolarHBondContact O-CB 3.18Å; R470-K474 PolarHBondContact O-N 3.27Å
471S92.2Very high90Very high46 Ų4655.4 Ų55.432%0.32227%0.272SS..Hα-helixtrans-71.3-42.1176.3-54.10000112Y468 Q469 K474 A475Y468-S471 WeakPolarHBondContact O-CA 3.41Å; Y468-S471 WeakPolarHBondContact O-CB 3.46Å; Y468-S471 PolarHBondContact O-N 3.3Å; Q469-S471 VanDerWaalsContact C-N 3.26Å; Q469-S471 PolarHBondContact O-N 3.16Å; S471-K474 PolarHBondContact O-N 3Å; S471-A475 WeakPolarHBondContact O-CB 3.32Å; S471-A475 PolarHBondContact O-N 3.17Å
472F94.6Very high90.3Very high0 Ų058.4 Ų58.40%028%0.28CS..Hα-helixtrans-62.8-41.6174.5-77.2-69.6000111.9M464 Y468 Q469 A475 A476 I488 L491 V492 L495 L536 V555M464-F472 HydrophobicContact CB-CD2 4.38Å; M464-F472 HydrophobicContact CB-CE2 4.16Å; M464-F472 HydrophobicContact CE-CD1 3.51Å; M464-F472 HydrophobicContact CE-CD2 3.7Å; M464-F472 HydrophobicContact CE-CE1 3.39Å; M464-F472 HydrophobicContact CE-CE2 3.58Å; M464-F472 HydrophobicContact CE-CG 3.67Å; M464-F472 HydrophobicContact CE-CZ 3.43Å; M464-F472 VanDerWaalsContact CE-CZ 3.43Å; Y468-F472 VanDerWaalsContact O-CD2 3.27Å; Y468-F472 WeakPolarHBondContact O-CD2 3.33Å; Y468-F472 PolarHBondContact O-N 3.28Å; Q469-F472 PolarHBondContact O-N 3.34Å; F472-A475 PolarHBondContact O-N 2.82Å; F472-A476 PolarHBondContact O-N 3.34Å; F472-I488 HydrophobicContact CD1-CG1 4.41Å; F472-I488 HydrophobicContact CD1-CG2 4.46Å; F472-I488 HydrophobicContact CE1-CG2 4.28Å; F472-L491 HydrophobicContact CD1-CB 4.01Å; F472-L491 HydrophobicContact CD1-CD1 3.9Å; F472-L491 HydrophobicContact CE1-CB 3.4Å; F472-L491 HydrophobicContact CE1-CD1 4.17Å; F472-L491 HydrophobicContact CE1-CG 4.44Å; F472-L491 HydrophobicContact CE2-CB 4.2Å; F472-L491 HydrophobicContact CG-CD1 4.18Å; F472-L491 HydrophobicContact CZ-CB 3.51Å; F472-V492 HydrophobicContact CE1-CG2 4.17Å; F472-V492 HydrophobicContact CZ-CG2 4.35Å; F472-L495 HydrophobicContact CE2-CD2 4.15Å; F472-L495 HydrophobicContact CZ-CD1 4.44Å; F472-L495 HydrophobicContact CZ-CD2 4.41Å; F472-L495 HydrophobicContact CZ-CG 4.47Å; F472-L536 HydrophobicContact CB-CD2 4.03Å; F472-L536 HydrophobicContact CD2-CD2 4.11Å; F472-L536 HydrophobicContact CG-CD2 4.3Å; F472-V555 HydrophobicContact CB-CG1 4.24Å; F472-V555 HydrophobicContact CB-CG2 4.1Å; F472-V555 HydrophobicContact CD1-CG1 3.94Å; F472-V555 HydrophobicContact CG-CG1 4.36Å; F472-V555 WeakPolarHBondContact O-CG2 3.25Å
473I92.2Very high90.5Very high5 Ų559.6 Ų59.63%0.02629%0.29CS..Hα-helixtrans-60.7-47.5172.8-61.3-58.3000111.1Q469 A475 A476 K477 D548 F551 Q552Q469-I473 WeakPolarHBondContact O-CG1 3.48Å; Q469-I473 PolarHBondContact O-N 2.97Å; I473-A475 VanDerWaalsContact C-N 3.29Å; I473-A475 PolarHBondContact O-N 3.32Å; I473-A476 PolarHBondContact O-N 3.43Å; I473-K477 HydrophobicContact CG2-CD 4.11Å; I473-K477 WeakPolarHBondContact O-CG 3.18Å; I473-K477 PolarHBondContact O-N 3.01Å; I473-K477 VanDerWaalsContact O-N 3.08Å; I473-D548 HydrophobicContact CD1-CB 4.34Å; I473-D548 HydrophobicContact CG2-CB 4.34Å; I473-D548 WeakPolarHBondContact CG2-OD1 3.32Å; I473-F551 HydrophobicContact CD1-CB 4.05Å; I473-F551 HydrophobicContact CG2-CB 4.22Å; I473-Q552 HydrophobicContact CD1-CB 4.41Å; I473-Q552 HydrophobicContact CD1-CG 3.53Å
474K92Very high90.6Very high159 Ų15960.7 Ų60.769%0.69129%0.294SS*.Hα-helixtrans-59.9-39.5177.4-173.6-175.4175-169.80112R470 S471 K477R470-K474 WeakPolarHBondContact O-CB 3.18Å; R470-K474 PolarHBondContact O-N 3.27Å; S471-K474 PolarHBondContact O-N 3Å; K474-K477 PolarHBondContact O-N 3.49Å
475A94.1Very high90.7Very high2 Ų260.9 Ų60.92%0.01730%0.295CS..Hα-helixtrans-64.3-43.2176.400000111.8S471 F472 I473 K477 M478 R484 E487 I488 L491S471-A475 WeakPolarHBondContact O-CB 3.32Å; S471-A475 PolarHBondContact O-N 3.17Å; F472-A475 PolarHBondContact O-N 2.82Å; I473-A475 VanDerWaalsContact C-N 3.29Å; I473-A475 PolarHBondContact O-N 3.32Å; A475-K477 VanDerWaalsContact C-N 3.26Å; A475-K477 PolarHBondContact O-N 2.95Å; A475-M478 WeakPolarHBondContact O-CG 3.47Å; A475-M478 PolarHBondContact O-N 2.8Å; A475-R484 WeakPolarHBondContact O-CG 3.43Å; A475-E487 HydrophobicContact CB-CB 4Å; A475-E487 HydrophobicContact CB-CG 3.62Å; A475-I488 HydrophobicContact CB-CG1 3.86Å; A475-L491 HydrophobicContact CB-CD1 4.17Å
476A93.3Very high90.9Very high3 Ų363.5 Ų63.53%0.02531%0.311CS..Hα-helixtrans-66.8-23.4176.100000114.1F472 I473 M478 R484 F551 I554 V555F472-A476 PolarHBondContact O-N 3.34Å; I473-A476 PolarHBondContact O-N 3.43Å; A476-M478 VanDerWaalsContact C-N 3.3Å; A476-M478 PolarHBondContact O-N 2.83Å; A476-R484 WeakPolarHBondContact O-CD 3.26Å; A476-F551 HydrophobicContact CB-CB 4.19Å; A476-F551 HydrophobicContact CB-CD1 4.4Å; A476-I554 HydrophobicContact CB-CB 4.44Å; A476-I554 HydrophobicContact CB-CG2 4.03Å; A476-V555 HydrophobicContact CB-CG2 3.64Å
477K92.1Very high91.5Very high42 Ų4263.4 Ų63.418%0.18331%0.314CS..THydrogen-bonded Turntrans-814.6175.3-71.3177.8-179179.10114.7D74 A75 I473 K474 A475 D548 F551D74-K477 WeakPolarHBondContact OD1-CE 3.37Å; D74-K477 IonicContact OD1-NZ 2.62Å; D74-K477 PolarHBondContact OD1-NZ 2.98Å; D74-K477 IonicContact OD2-NZ 3.6Å; D74-K477 PolarHBondContact OD2-NZ 3.19Å; A75-K477 HydrophobicContact CB-CB 4.15Å; A75-K477 HydrophobicContact CB-CD 3.92Å; A75-K477 HydrophobicContact CB-CG 3.82Å; I473-K477 HydrophobicContact CG2-CD 4.11Å; I473-K477 WeakPolarHBondContact O-CG 3.18Å; I473-K477 PolarHBondContact O-N 3.01Å; I473-K477 VanDerWaalsContact O-N 3.08Å; K474-K477 PolarHBondContact O-N 3.49Å; A475-K477 VanDerWaalsContact C-N 3.26Å; A475-K477 PolarHBondContact O-N 2.95Å; K477-D548 WeakPolarHBondContact CE-OD1 3.45Å; K477-D548 IonicContact NZ-OD1 3.63Å; K477-D548 PolarHBondContact NZ-OD1 3.4Å; K477-F551 HydrophobicContact CD-CD2 4.31Å; K477-F551 HydrophobicContact CD-CE2 4.24Å; K477-F551 HydrophobicContact CD-CZ 4.42Å; K477-F551 HydrophobicContact CG-CD1 3.66Å; K477-F551 HydrophobicContact CG-CD2 4.06Å; K477-F551 HydrophobicContact CG-CE1 3.63Å; K477-F551 HydrophobicContact CG-CE2 4.02Å; K477-F551 HydrophobicContact CG-CG 3.89Å; K477-F551 HydrophobicContact CG-CZ 3.81Å
478M91.1Very high91.9Very high71 Ų7156.2 Ų56.235%0.3528%0.28SS..  trans-84.5137.3179.3-58.2169.962.100112A475 A476 N480 A483 R484 E487A475-M478 WeakPolarHBondContact O-CG 3.47Å; A475-M478 PolarHBondContact O-N 2.8Å; A476-M478 VanDerWaalsContact C-N 3.3Å; A476-M478 PolarHBondContact O-N 2.83Å; M478-N480 VanDerWaalsContact C-N 3.26Å; M478-N480 PolarHBondContact O-N 2.82Å; M478-A483 HydrophobicContact CE-CB 3.67Å; M478-R484 HydrophobicContact CB-CG 4.06Å; M478-R484 WeakPolarHBondContact O-CD 3.39Å; M478-R484 WeakPolarHBondContact O-CG 3.29Å; M478-R484 PolarHBondContact O-NH1 3.34Å; M478-E487 HydrophobicContact SD-CB 4.32Å
479D85.6Confident92.3Very high157 Ų15755.4 Ų55.484%0.8428%0.278SS*.SBendtrans-67-19.7-173.7-45.4-83.1000114.9
480N90.2Very high92.6Very high93 Ų9356.3 Ų56.350%0.49729%0.287SS..  trans-103.6112.8-175.8176.2-8.7000110.5M478 E482 A483 R484M478-N480 VanDerWaalsContact C-N 3.26Å; M478-N480 PolarHBondContact O-N 2.82Å; N480-E482 PolarHBondContact O-N 3.05Å; N480-E482 PolarHBondContact OD1-N 2.86Å; N480-E482 VanDerWaalsContact OD1-N 3.13Å; N480-A483 HydrophobicContact CB-CB 3.87Å; N480-A483 WeakPolarHBondContact O-CA 3.47Å; N480-A483 WeakPolarHBondContact O-CB 3.43Å; N480-A483 PolarHBondContact O-N 2.78Å; N480-R484 PolarHBondContact O-N 3.05Å
481P89.7Confident93Very high67 Ų6747.5 Ų47.544%0.43525%0.254SS..Hα-helixtrans-54.4-42.9-177.7-28.335.5000114.7A483 R484 V485P481-A483 VanDerWaalsContact C-N 3.29Å; P481-A483 PolarHBondContact O-N 3.11Å; P481-R484 WeakPolarHBondContact O-CB 3.49Å; P481-R484 PolarHBondContact O-N 2.9Å; P481-R484 VanDerWaalsContact O-N 3.14Å; P481-V485 WeakPolarHBondContact O-CG2 3.36Å; P481-V485 PolarHBondContact O-N 2.9Å
482E91.8Very high93.2Very high97 Ų9745.3 Ų45.345%0.45324%0.239SC..Hα-helixtrans-68-30.4178.6-87.7-66.5162.300112.4N480 T486 R565N480-E482 PolarHBondContact O-N 3.05Å; N480-E482 PolarHBondContact OD1-N 2.86Å; N480-E482 VanDerWaalsContact OD1-N 3.13Å; E482-T486 VanDerWaalsContact O-CB 3.31Å; E482-T486 WeakPolarHBondContact O-CB 3.33Å; E482-T486 PolarHBondContact O-N 2.88Å; E482-T486 PolarHBondContact O-OG1 2.85Å; E482-R565 VanDerWaalsContact CD-NH1 3.3Å; E482-R565 IonicContact OE1-CZ 3.75Å; E482-R565 IonicContact OE1-NH1 3.58Å; E482-R565 PolarHBondContact OE1-NH1 2.93Å; E482-R565 IonicContact OE2-CZ 2.72Å; E482-R565 VanDerWaalsContact OE2-CZ 3.25Å; E482-R565 IonicContact OE2-NH1 2.75Å; E482-R565 PolarHBondContact OE2-NH1 3.02Å; E482-R565 IonicContact OE2-NH2 3.46Å; E482-R565 PolarHBondContact OE2-NH2 2.83Å
483A92.8Very high93.1Very high26 Ų2647.9 Ų47.922%0.21525%0.251CS..Hα-helixtrans-71.2-3717200000111.6M478 N480 P481 T486 E487M478-A483 HydrophobicContact CE-CB 3.67Å; N480-A483 HydrophobicContact CB-CB 3.87Å; N480-A483 WeakPolarHBondContact O-CA 3.47Å; N480-A483 WeakPolarHBondContact O-CB 3.43Å; N480-A483 PolarHBondContact O-N 2.78Å; P481-A483 VanDerWaalsContact C-N 3.29Å; P481-A483 PolarHBondContact O-N 3.11Å; A483-T486 PolarHBondContact O-N 3.14Å; A483-E487 PolarHBondContact O-N 3.42Å
484R94.6Very high93.1Very high22 Ų2254.6 Ų54.68%0.08328%0.276CS..Hα-helixtrans-58.8-51.7171.2-57.4-164-72.7-123.47.5111.1D78 A475 A476 M478 N480 P481 T486 E487 I488 I558D78-R484 IonicContact OD1-CZ 3.39Å; D78-R484 IonicContact OD1-NH1 2.7Å; D78-R484 PolarHBondContact OD1-NH1 2.82Å; D78-R484 IonicContact OD1-NH2 2.63Å; D78-R484 IonicContact OD2-CZ 2.75Å; D78-R484 IonicContact OD2-NH1 3.19Å; D78-R484 PolarHBondContact OD2-NH1 2.91Å; D78-R484 IonicContact OD2-NH2 3.53Å; D78-R484 PolarHBondContact OD2-NH2 3.46Å; A475-R484 WeakPolarHBondContact O-CG 3.43Å; A476-R484 WeakPolarHBondContact O-CD 3.26Å; M478-R484 HydrophobicContact CB-CG 4.06Å; M478-R484 WeakPolarHBondContact O-CD 3.39Å; M478-R484 WeakPolarHBondContact O-CG 3.29Å; M478-R484 PolarHBondContact O-NH1 3.34Å; N480-R484 PolarHBondContact O-N 3.05Å; P481-R484 WeakPolarHBondContact O-CB 3.49Å; P481-R484 PolarHBondContact O-N 2.9Å; P481-R484 VanDerWaalsContact O-N 3.14Å; R484-T486 VanDerWaalsContact C-N 3.3Å; R484-T486 PolarHBondContact O-N 2.98Å; R484-E487 PolarHBondContact O-N 2.77Å; R484-I488 VanDerWaalsContact O-CB 3.31Å; R484-I488 WeakPolarHBondContact O-CB 3.47Å; R484-I488 VanDerWaalsContact O-CG1 3.23Å; R484-I488 WeakPolarHBondContact O-CG1 3.25Å; R484-I488 PolarHBondContact O-N 2.67Å; R484-I558 HydrophobicContact CB-CD1 3.96Å
485V94.8Very high93.2Very high4 Ų447.5 Ų47.52%0.02425%0.245CC..Hα-helixtrans-58-44.1178.91760000110.7P481 H489 I558 H562P481-V485 WeakPolarHBondContact O-CG2 3.36Å; P481-V485 PolarHBondContact O-N 2.9Å; V485-H489 VanDerWaalsContact O-CB 3.28Å; V485-H489 WeakPolarHBondContact O-CB 3.31Å; V485-H489 PolarHBondContact O-N 3.3Å; V485-I558 HydrophobicContact CG2-CG2 3.98Å; V485-H562 HydrophobicContact CG1-CB 4.28Å
486T94.1Very high93.2Very high74 Ų7450.5 Ų50.545%0.45427%0.265SS..Hα-helixtrans-68.3-43.2-178-57.50000113E482 A483 R484 H489 A490E482-T486 VanDerWaalsContact O-CB 3.31Å; E482-T486 WeakPolarHBondContact O-CB 3.33Å; E482-T486 PolarHBondContact O-N 2.88Å; E482-T486 PolarHBondContact O-OG1 2.85Å; A483-T486 PolarHBondContact O-N 3.14Å; R484-T486 VanDerWaalsContact C-N 3.3Å; R484-T486 PolarHBondContact O-N 2.98Å; T486-H489 PolarHBondContact O-N 2.95Å; T486-A490 PolarHBondContact O-N 3.19Å
487E95.6Very high93.1Very high83 Ų8354.7 Ų54.739%0.38828%0.284SS..Hα-helixtrans-69.7-39.1176.3-177.465.9-167.500111.3A475 M478 A483 R484 H489 A490 L491A475-E487 HydrophobicContact CB-CB 4Å; A475-E487 HydrophobicContact CB-CG 3.62Å; M478-E487 HydrophobicContact SD-CB 4.32Å; A483-E487 PolarHBondContact O-N 3.42Å; R484-E487 PolarHBondContact O-N 2.77Å; E487-H489 PolarHBondContact O-N 3.27Å; E487-A490 PolarHBondContact O-N 2.91Å; E487-L491 HydrophobicContact CG-CD1 4.11Å; E487-L491 WeakPolarHBondContact O-CB 3.36Å; E487-L491 VanDerWaalsContact O-CG 3.27Å; E487-L491 WeakPolarHBondContact O-CG 3.46Å; E487-L491 PolarHBondContact O-N 3.28Å
488I96.4Very high93.1Very high0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-63-41.3174.6-69.9169.4000110.8F472 A475 R484 L491 V492 V555 I558 L559 I566F472-I488 HydrophobicContact CD1-CG1 4.41Å; F472-I488 HydrophobicContact CD1-CG2 4.46Å; F472-I488 HydrophobicContact CE1-CG2 4.28Å; A475-I488 HydrophobicContact CB-CG1 3.86Å; R484-I488 VanDerWaalsContact O-CB 3.31Å; R484-I488 WeakPolarHBondContact O-CB 3.47Å; R484-I488 VanDerWaalsContact O-CG1 3.23Å; R484-I488 WeakPolarHBondContact O-CG1 3.25Å; R484-I488 PolarHBondContact O-N 2.67Å; I488-L491 PolarHBondContact O-N 3.36Å; I488-V492 HydrophobicContact CG2-CG2 4.41Å; I488-V492 WeakPolarHBondContact O-CG2 3.39Å; I488-V492 PolarHBondContact O-N 3.01Å; I488-V555 HydrophobicContact CD1-CG1 4.43Å; I488-V555 HydrophobicContact CD1-CG2 4.44Å; I488-I558 HydrophobicContact CD1-CB 4.2Å; I488-I558 HydrophobicContact CD1-CD1 3.72Å; I488-I558 HydrophobicContact CD1-CG2 3.92Å; I488-L559 HydrophobicContact CG2-CD2 3.73Å; I488-L559 HydrophobicContact CG2-CG 4.14Å; I488-I566 HydrophobicContact CG2-CD1 4.23Å
489H95.6Very high93.2Very high13 Ų1355.6 Ų55.66%0.0629%0.287CS..Hα-helixtrans-59.1-46.8173.5-175-164.7000111.9V485 T486 E487 L491 V492 H493 R565 I566 D569V485-H489 VanDerWaalsContact O-CB 3.28Å; V485-H489 WeakPolarHBondContact O-CB 3.31Å; V485-H489 PolarHBondContact O-N 3.3Å; T486-H489 PolarHBondContact O-N 2.95Å; E487-H489 PolarHBondContact O-N 3.27Å; H489-L491 VanDerWaalsContact C-N 3.33Å; H489-L491 PolarHBondContact O-N 3.37Å; H489-V492 PolarHBondContact O-N 3.15Å; H489-H493 AromaticContact NE2-NE2 3.95Å; H489-H493 PolarHBondContact O-N 2.96Å; H489-R565 PolarHBondContact NE2-O 2.95Å; H489-I566 HydrophobicContact CB-CG1 4.26Å; H489-I566 PolarHBondContact CD2-O 3.18Å; H489-I566 PolarHBondContact NE2-O 2.69Å; H489-D569 PolarHBondContact NE2-O 3.25Å
490A94.6Very high93.7Very high33 Ų3350.5 Ų50.527%0.27326%0.256SS..Hα-helixtrans-63.7-34.7176.100000113.1T486 E487 R494T486-A490 PolarHBondContact O-N 3.19Å; E487-A490 PolarHBondContact O-N 2.91Å; A490-R494 WeakPolarHBondContact O-CD 3.49Å; A490-R494 VanDerWaalsContact O-CG 3.28Å; A490-R494 WeakPolarHBondContact O-CG 3.21Å
491L95.3Very high93.9Very high1 Ų150 Ų501%0.00525%0.251CS..Hα-helixtrans-74.5-36.2176.2-70.8169.5000112.8Y468 F472 A475 E487 I488 H489 R494 L495Y468-L491 HydrophobicContact CD1-CD2 4.32Å; F472-L491 HydrophobicContact CD1-CB 4.01Å; F472-L491 HydrophobicContact CD1-CD1 3.9Å; F472-L491 HydrophobicContact CE1-CB 3.4Å; F472-L491 HydrophobicContact CE1-CD1 4.17Å; F472-L491 HydrophobicContact CE1-CG 4.44Å; F472-L491 HydrophobicContact CE2-CB 4.2Å; F472-L491 HydrophobicContact CG-CD1 4.18Å; F472-L491 HydrophobicContact CZ-CB 3.51Å; A475-L491 HydrophobicContact CB-CD1 4.17Å; E487-L491 HydrophobicContact CG-CD1 4.11Å; E487-L491 WeakPolarHBondContact O-CB 3.36Å; E487-L491 VanDerWaalsContact O-CG 3.27Å; E487-L491 WeakPolarHBondContact O-CG 3.46Å; E487-L491 PolarHBondContact O-N 3.28Å; I488-L491 PolarHBondContact O-N 3.36Å; H489-L491 VanDerWaalsContact C-N 3.33Å; H489-L491 PolarHBondContact O-N 3.37Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 2.73Å; L491-R494 VanDerWaalsContact O-N 3.13Å; L491-L495 PolarHBondContact O-N 3.48Å
492V95.9Very high94.2Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-61.5-44.21771660000111.7F472 I488 H489 R494 L495 R500 L503 L559 I566 F567F472-V492 HydrophobicContact CE1-CG2 4.17Å; F472-V492 HydrophobicContact CZ-CG2 4.35Å; I488-V492 HydrophobicContact CG2-CG2 4.41Å; I488-V492 WeakPolarHBondContact O-CG2 3.39Å; I488-V492 PolarHBondContact O-N 3.01Å; H489-V492 PolarHBondContact O-N 3.15Å; V492-R494 PolarHBondContact O-N 3.37Å; V492-L495 VanDerWaalsContact O-CB 3.29Å; V492-L495 WeakPolarHBondContact O-CB 3.49Å; V492-L495 WeakPolarHBondContact O-CG 3.17Å; V492-L495 PolarHBondContact O-N 3.4Å; V492-L495 VanDerWaalsContact O-N 3.13Å; V492-R500 HydrophobicContact CG1-CG 4.12Å; V492-L503 HydrophobicContact CG2-CD2 4.4Å; V492-L559 HydrophobicContact CG2-CD2 3.6Å; V492-I566 HydrophobicContact CB-CG2 4.07Å; V492-I566 HydrophobicContact CG1-CG2 4.03Å; V492-I566 HydrophobicContact CG2-CG2 3.92Å; V492-F567 HydrophobicContact CG1-CD1 3.96Å; V492-F567 HydrophobicContact CG1-CE1 3.43Å; V492-F567 VanDerWaalsContact CG1-CE1 3.43Å; V492-F567 HydrophobicContact CG1-CZ 3.87Å
493H93.4Very high94.4Very high53 Ų5342.3 Ų42.325%0.24521%0.209CC..THydrogen-bonded Turntrans-76.70.4177.5-72.317.5000114.1H489 I566 D569 P571H489-H493 AromaticContact NE2-NE2 3.95Å; H489-H493 PolarHBondContact O-N 2.96Å; H493-I566 PolarHBondContact CE1-O 3.01Å; H493-D569 PolarHBondContact NE2-O 2.64Å; H493-P571 HydrophobicContact CB-CG 4.39Å; H493-P571 WeakPolarHBondContact CD2-CD 3.46Å
494R93.1Very high94.6Very high146 Ų14644.5 Ų44.555%0.55121%0.214SC*.THydrogen-bonded Turntrans-98.3-5.4168.5-69.6173.964.1179.43.6113.5Y468 A490 L491 V492Y468-R494 HydrophobicContact CE1-CB 4.32Å; Y468-R494 HydrophobicContact CE2-CB 4.49Å; Y468-R494 WeakPolarHBondContact CE2-O 3.29Å; Y468-R494 PolarHBondContact OH-O 3.43Å; Y468-R494 VanDerWaalsContact OH-O 3.09Å; A490-R494 WeakPolarHBondContact O-CD 3.49Å; A490-R494 VanDerWaalsContact O-CG 3.28Å; A490-R494 WeakPolarHBondContact O-CG 3.21Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 2.73Å; L491-R494 VanDerWaalsContact O-N 3.13Å; V492-R494 PolarHBondContact O-N 3.37Å
495L93.1Very high94.7Very high10 Ų1045.5 Ų45.55%0.05222%0.221CC..SBendtrans-67.3152.3170.9-65.7174.3000110.9M464 T465 Y468 F472 L491 V492 N499 R500 L503M464-L495 WeakPolarHBondContact O-CD2 3.23Å; T465-L495 HydrophobicContact CG2-CD2 4.35Å; Y468-L495 HydrophobicContact CD2-CD2 3.97Å; F472-L495 HydrophobicContact CE2-CD2 4.15Å; F472-L495 HydrophobicContact CZ-CD1 4.44Å; F472-L495 HydrophobicContact CZ-CD2 4.41Å; F472-L495 HydrophobicContact CZ-CG 4.47Å; L491-L495 PolarHBondContact O-N 3.48Å; V492-L495 VanDerWaalsContact O-CB 3.29Å; V492-L495 WeakPolarHBondContact O-CB 3.49Å; V492-L495 WeakPolarHBondContact O-CG 3.17Å; V492-L495 PolarHBondContact O-N 3.4Å; V492-L495 VanDerWaalsContact O-N 3.13Å; L495-N499 HydrophobicContact CB-CB 4.36Å; L495-R500 HydrophobicContact CB-CB 4.38Å; L495-L503 HydrophobicContact CD1-CD2 3.83Å
496P93.6Very high94.9Very high65 Ų6545.4 Ų45.442%0.42222%0.221SC..  trans-57142.3169.5-20.931.6000111.1T465 K498 N499 R500T465-P496 HydrophobicContact CG2-CG 4.49Å; P496-K498 VanDerWaalsContact C-N 3.29Å; P496-K498 PolarHBondContact O-N 3.25Å; P496-K498 VanDerWaalsContact O-N 3.12Å; P496-N499 HydrophobicContact CB-CB 4.49Å; P496-N499 WeakPolarHBondContact O-CA 3.38Å; P496-N499 VanDerWaalsContact O-CB 3.29Å; P496-N499 WeakPolarHBondContact O-CB 3.39Å; P496-N499 PolarHBondContact O-N 2.9Å; P496-R500 PolarHBondContact O-N 3.43Å
497E91.1Very high95.1Very high91 Ų9141.9 Ų41.943%0.42520%0.199SC..Hα-helixtrans-55.8-39.9-167.6179.258.1-170.100113.9N499 R500 Q501E497-N499 PolarHBondContact O-N 2.99Å; E497-R500 VanDerWaalsContact CD-NH2 3.27Å; E497-R500 PolarHBondContact O-N 3.48Å; E497-R500 IonicContact OE1-CZ 3.72Å; E497-R500 IonicContact OE1-NH2 3.68Å; E497-R500 PolarHBondContact OE1-NH2 2.9Å; E497-R500 IonicContact OE2-CZ 2.88Å; E497-R500 VanDerWaalsContact OE2-CZ 3.28Å; E497-R500 IonicContact OE2-NE 2.68Å; E497-R500 PolarHBondContact OE2-NE 2.87Å; E497-R500 IonicContact OE2-NH2 3.95Å; E497-R500 PolarHBondContact OE2-NH2 2.88Å; E497-Q501 WeakPolarHBondContact O-CB 3.47Å; E497-Q501 VanDerWaalsContact O-CG 3.32Å; E497-Q501 WeakPolarHBondContact O-CG 3.4Å; E497-Q501 PolarHBondContact O-N 3.45Å; E497-Q501 PolarHBondContact OE1-NE2 2.89Å
498K92.3Very high95.1Very high110 Ų11043.1 Ų43.148%0.47820%0.203SC..Hα-helixtrans-65.5-35.6175.2-65-168.2178.7178.80113.3L385 F390 P496 M502L385-K498 HydrophobicContact CB-CB 4.18Å; L385-K498 HydrophobicContact CB-CD 4.2Å; L385-K498 HydrophobicContact CD1-CB 4.33Å; L385-K498 WeakPolarHBondContact O-CD 3.38Å; L385-K498 WeakPolarHBondContact O-CE 3.27Å; L385-K498 PolarHBondContact O-NZ 3.04Å; F390-K498 HydrophobicContact CE2-CB 4.28Å; F390-K498 WeakPolarHBondContact CZ-O 2.97Å; P496-K498 VanDerWaalsContact C-N 3.29Å; P496-K498 PolarHBondContact O-N 3.25Å; P496-K498 VanDerWaalsContact O-N 3.12Å; K498-M502 WeakPolarHBondContact O-CB 3.31Å; K498-M502 PolarHBondContact O-N 3.29Å; K498-M502 VanDerWaalsContact O-N 3.12Å
499N94.3Very high95.2Very high23 Ų2343.1 Ų43.112%0.12320%0.203CC..Hα-helixtrans-67-44.9175.4-66.463.2000109.9L385 L463 L495 P496 E497 M502 L503L385-N499 HydrophobicContact CD1-CB 4.34Å; L385-N499 VanDerWaalsContact CD1-OD1 3.28Å; L385-N499 WeakPolarHBondContact CD1-OD1 3.18Å; L463-N499 HydrophobicContact CD1-CB 4.21Å; L463-N499 WeakPolarHBondContact O-CB 3.31Å; L463-N499 PolarHBondContact O-ND2 3.44Å; L495-N499 HydrophobicContact CB-CB 4.36Å; P496-N499 HydrophobicContact CB-CB 4.49Å; P496-N499 WeakPolarHBondContact O-CA 3.38Å; P496-N499 VanDerWaalsContact O-CB 3.29Å; P496-N499 WeakPolarHBondContact O-CB 3.39Å; P496-N499 PolarHBondContact O-N 2.9Å; E497-N499 PolarHBondContact O-N 2.99Å; N499-M502 PolarHBondContact O-N 2.7Å; N499-L503 VanDerWaalsContact O-CB 3.27Å; N499-L503 WeakPolarHBondContact O-CB 3.28Å; N499-L503 PolarHBondContact O-N 3.01Å
500R95.2Very high95.3Very high49 Ų4942.5 Ų42.519%0.18520%0.2CC..Hα-helixtrans-59.1-51.1177.5-164.6179.871.184.67.8111.8V492 L495 P496 E497 M502 L503 E504V492-R500 HydrophobicContact CG1-CG 4.12Å; L495-R500 HydrophobicContact CB-CB 4.38Å; P496-R500 PolarHBondContact O-N 3.43Å; E497-R500 VanDerWaalsContact CD-NH2 3.27Å; E497-R500 PolarHBondContact O-N 3.48Å; E497-R500 IonicContact OE1-CZ 3.72Å; E497-R500 IonicContact OE1-NH2 3.68Å; E497-R500 PolarHBondContact OE1-NH2 2.9Å; E497-R500 IonicContact OE2-CZ 2.88Å; E497-R500 VanDerWaalsContact OE2-CZ 3.28Å; E497-R500 IonicContact OE2-NE 2.68Å; E497-R500 PolarHBondContact OE2-NE 2.87Å; E497-R500 IonicContact OE2-NH2 3.95Å; E497-R500 PolarHBondContact OE2-NH2 2.88Å; R500-M502 PolarHBondContact O-N 3.18Å; R500-L503 PolarHBondContact O-N 3.15Å; R500-E504 PolarHBondContact O-N 2.94Å
501Q94.7Very high95.4Very high84 Ų8441.7 Ų41.739%0.39319%0.192SC..Hα-helixtrans-62.5-38.3178.3-71.71765.900113.6F390 E497 L505F390-Q501 HydrophobicContact CE1-CB 3.96Å; F390-Q501 HydrophobicContact CZ-CB 3.83Å; E497-Q501 WeakPolarHBondContact O-CB 3.47Å; E497-Q501 VanDerWaalsContact O-CG 3.32Å; E497-Q501 WeakPolarHBondContact O-CG 3.4Å; E497-Q501 PolarHBondContact O-N 3.45Å; E497-Q501 PolarHBondContact OE1-NE2 2.89Å; Q501-L505 WeakPolarHBondContact O-CB 3.46Å; Q501-L505 PolarHBondContact O-N 2.83Å
502M96.3Very high95.5Very high1 Ų145.3 Ų45.31%0.00521%0.208CC..Hα-helixtrans-76.2-30.5177.1-176.9156.9-73.600112.3L385 F390 M393 Y455 L463 K498 N499 R500 L506L385-M502 HydrophobicContact CD2-CE 4.28Å; L385-M502 HydrophobicContact CD2-SD 3.43Å; L385-M502 WeakPolarHBondContact CD2-SD 3.33Å; F390-M502 HydrophobicContact CB-CE 4.25Å; F390-M502 HydrophobicContact CD1-CE 3.71Å; F390-M502 HydrophobicContact CD2-CE 3.81Å; F390-M502 HydrophobicContact CE1-CB 3.85Å; F390-M502 HydrophobicContact CE1-CE 3.98Å; F390-M502 HydrophobicContact CE2-CE 4.06Å; F390-M502 HydrophobicContact CG-CE 3.64Å; F390-M502 HydrophobicContact CZ-CB 3.76Å; F390-M502 HydrophobicContact CZ-CE 4.15Å; M393-M502 HydrophobicContact CB-CE 4.15Å; M393-M502 HydrophobicContact CG-CE 4.49Å; Y455-M502 HydrophobicContact CE1-CE 4.25Å; Y455-M502 HydrophobicContact CE1-SD 3.65Å; L463-M502 HydrophobicContact CD1-CB 4.16Å; L463-M502 HydrophobicContact CD1-CG 4.31Å; L463-M502 HydrophobicContact CD2-CG 4.28Å; K498-M502 WeakPolarHBondContact O-CB 3.31Å; K498-M502 PolarHBondContact O-N 3.29Å; K498-M502 VanDerWaalsContact O-N 3.12Å; N499-M502 PolarHBondContact O-N 2.7Å; R500-M502 PolarHBondContact O-N 3.18Å; M502-L506 WeakPolarHBondContact O-CB 3.37Å; M502-L506 PolarHBondContact O-N 3.31Å; M502-L506 VanDerWaalsContact O-N 3.17Å
503L96.6Very high95.6Very high0 Ų045.3 Ų45.30%021%0.208CC..Hα-helixtrans-67.8-44.8172.7-171.868.1000110.7L463 M464 V492 L495 N499 R500 L505 L506 M507 L535 L559 F567L463-L503 HydrophobicContact CD2-CB 4.01Å; L463-L503 HydrophobicContact CD2-CD1 3.9Å; L463-L503 HydrophobicContact CG-CB 4.42Å; L463-L503 HydrophobicContact CG-CD1 4.48Å; M464-L503 HydrophobicContact CG-CD1 4.29Å; M464-L503 HydrophobicContact CG-CD2 4.21Å; M464-L503 HydrophobicContact SD-CD1 4.44Å; V492-L503 HydrophobicContact CG2-CD2 4.4Å; L495-L503 HydrophobicContact CD1-CD2 3.83Å; N499-L503 VanDerWaalsContact O-CB 3.27Å; N499-L503 WeakPolarHBondContact O-CB 3.28Å; N499-L503 PolarHBondContact O-N 3.01Å; R500-L503 PolarHBondContact O-N 3.15Å; L503-L505 PolarHBondContact O-N 2.84Å; L503-L506 PolarHBondContact O-N 3.29Å; L503-M507 HydrophobicContact CD1-CE 4.07Å; L503-M507 HydrophobicContact CD1-CG 4.37Å; L503-M507 HydrophobicContact CG-CG 4.27Å; L503-M507 WeakPolarHBondContact O-CG 3.44Å; L503-M507 PolarHBondContact O-N 3.25Å; L503-L535 HydrophobicContact CD1-CD1 4.17Å; L503-L559 HydrophobicContact CD2-CD1 4.27Å; L503-F567 HydrophobicContact CB-CE1 4.3Å; L503-F567 HydrophobicContact CB-CZ 4.31Å; L503-F567 HydrophobicContact CD2-CE1 4.25Å; L503-F567 HydrophobicContact CD2-CZ 3.84Å; L503-F567 HydrophobicContact CG-CE1 4.27Å; L503-F567 HydrophobicContact CG-CZ 3.81Å
504E96.7Very high95.7Very high72 Ų7243 Ų4334%0.33620%0.199SC..Hα-helixtrans-54.2-51.7173.8-176.3-172.8161.100111.8R500 L506 M507 K508 F567R500-E504 PolarHBondContact O-N 2.94Å; E504-L506 VanDerWaalsContact C-N 3.25Å; E504-L506 PolarHBondContact O-N 3.44Å; E504-M507 PolarHBondContact O-N 3.39Å; E504-K508 VanDerWaalsContact O-CB 3.29Å; E504-K508 WeakPolarHBondContact O-CB 3.35Å; E504-K508 PolarHBondContact O-N 2.88Å; E504-F567 HydrophobicContact CB-CB 4.35Å; E504-F567 HydrophobicContact CB-CD1 3.51Å; E504-F567 HydrophobicContact CB-CE1 3.92Å; E504-F567 HydrophobicContact CB-CG 3.92Å; E504-F567 HydrophobicContact CG-CB 3.77Å; E504-F567 HydrophobicContact CG-CD1 3.93Å; E504-F567 HydrophobicContact CG-CG 3.84Å
505L97Very high95.9Very high44 Ų4441.8 Ų41.823%0.2320%0.203CC..Hα-helixtrans-55.6-41.4178.217967.6000111.8M393 K394 I397 Q501 L503 H509M393-L505 HydrophobicContact CB-CD2 4.25Å; M393-L505 HydrophobicContact CG-CD2 3.76Å; K394-L505 HydrophobicContact CG-CD1 4.18Å; K394-L505 HydrophobicContact CG-CD2 3.8Å; I397-L505 HydrophobicContact CD1-CD1 4.4Å; I397-L505 HydrophobicContact CD1-CD2 4.3Å; I397-L505 HydrophobicContact CD1-CG 3.88Å; Q501-L505 WeakPolarHBondContact O-CB 3.46Å; Q501-L505 PolarHBondContact O-N 2.83Å; L503-L505 PolarHBondContact O-N 2.84Å; L505-H509 PolarHBondContact O-N 3.46Å
506L97.8Very high96Very high1 Ų144.8 Ų44.81%0.00522%0.216CC..Hα-helixtrans-72.8-48.1178.9-175.765.9000112I452 L456 M502 L503 E504 K508 H509 L510 F531 L535I452-L506 HydrophobicContact CG2-CD1 4.33Å; L456-L506 HydrophobicContact CD1-CD1 4.45Å; L456-L506 HydrophobicContact CD1-CD2 3.76Å; M502-L506 WeakPolarHBondContact O-CB 3.37Å; M502-L506 PolarHBondContact O-N 3.31Å; M502-L506 VanDerWaalsContact O-N 3.17Å; L503-L506 PolarHBondContact O-N 3.29Å; E504-L506 VanDerWaalsContact C-N 3.25Å; E504-L506 PolarHBondContact O-N 3.44Å; L506-K508 VanDerWaalsContact C-N 3.32Å; L506-K508 PolarHBondContact O-N 3.33Å; L506-H509 WeakPolarHBondContact O-CB 3.38Å; L506-H509 PolarHBondContact O-N 3.37Å; L506-H509 VanDerWaalsContact O-N 3.09Å; L506-L510 HydrophobicContact CD1-CD1 4.35Å; L506-L510 HydrophobicContact CD1-CG 4.24Å; L506-L510 HydrophobicContact CG-CD1 4.09Å; L506-L510 HydrophobicContact CG-CG 4.29Å; L506-L510 WeakPolarHBondContact O-CG 3.23Å; L506-L510 PolarHBondContact O-N 2.9Å; L506-F531 HydrophobicContact CD1-CE1 4.09Å; L506-F531 HydrophobicContact CD1-CZ 4.36Å; L506-F531 HydrophobicContact CD2-CD1 4.1Å; L506-F531 HydrophobicContact CD2-CE1 4.07Å; L506-L535 HydrophobicContact CD2-CD1 3.97Å; L506-L535 HydrophobicContact CD2-CD2 3.83Å; L506-L535 HydrophobicContact CD2-CG 4.46Å
507M97.9Very high96Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-62.9-40.2-178.4-64.9-56.698.700111.4L503 E504 H509 L510 S511 L535 L559 I560 H563 F567L503-M507 HydrophobicContact CD1-CE 4.07Å; L503-M507 HydrophobicContact CD1-CG 4.37Å; L503-M507 HydrophobicContact CG-CG 4.27Å; L503-M507 WeakPolarHBondContact O-CG 3.44Å; L503-M507 PolarHBondContact O-N 3.25Å; E504-M507 PolarHBondContact O-N 3.39Å; M507-H509 VanDerWaalsContact C-N 3.27Å; M507-H509 PolarHBondContact O-N 3.46Å; M507-L510 HydrophobicContact CE-CD1 3.82Å; M507-L510 PolarHBondContact O-N 3.44Å; M507-S511 WeakPolarHBondContact O-CB 3.44Å; M507-S511 PolarHBondContact O-N 3.21Å; M507-L535 HydrophobicContact CE-CD1 3.75Å; M507-L559 HydrophobicContact CG-CB 4.01Å; M507-L559 HydrophobicContact SD-CB 3.53Å; M507-L559 VanDerWaalsContact SD-CB 3.53Å; M507-L559 HydrophobicContact SD-CD1 4.44Å; M507-I560 HydrophobicContact SD-CG1 3.77Å; M507-H563 HydrophobicContact CB-CB 4.18Å; M507-F567 HydrophobicContact CB-CE2 4.11Å; M507-F567 HydrophobicContact CG-CE2 3.94Å; M507-F567 HydrophobicContact CG-CZ 4.19Å
508K97Very high96Very high109 Ų10948.8 Ų48.847%0.47423%0.231SC..Hα-helixtrans-62.4-32.2174-172.1168.4-171.3161.90113.2E504 L506E504-K508 VanDerWaalsContact O-CB 3.29Å; E504-K508 WeakPolarHBondContact O-CB 3.35Å; E504-K508 PolarHBondContact O-N 2.88Å; L506-K508 VanDerWaalsContact C-N 3.32Å; L506-K508 PolarHBondContact O-N 3.33Å
509H97.6Very high96Very high1 Ų148.9 Ų48.91%0.00523%0.234CC..Hα-helixtrans-73.4-48.7172.3174.361.9000111.8I397 E401 Y411 L505 L506 M507 S511 K512 V513I397-H509 HydrophobicContact CD1-CB 4.02Å; I397-H509 HydrophobicContact CG1-CB 4.21Å; I397-H509 HydrophobicContact CG2-CB 3.99Å; E401-H509 VanDerWaalsContact CG-ND1 3.32Å; E401-H509 WeakPolarHBondContact CG-ND1 3.36Å; E401-H509 IonicContact OE1-CE1 2.84Å; E401-H509 IonicContact OE1-CG 2.76Å; E401-H509 IonicContact OE1-ND1 3.53Å; E401-H509 PolarHBondContact OE1-ND1 2.98Å; Y411-H509 AromaticContact CE2-NE2 3.58Å; Y411-H509 AromaticContact CZ-CD2 3.99Å; Y411-H509 AromaticContact CZ-NE2 3.58Å; Y411-H509 PolarHBondContact OH-CD2 3.07Å; Y411-H509 PolarHBondContact OH-NE2 2.65Å; L505-H509 PolarHBondContact O-N 3.46Å; L506-H509 WeakPolarHBondContact O-CB 3.38Å; L506-H509 PolarHBondContact O-N 3.37Å; L506-H509 VanDerWaalsContact O-N 3.09Å; M507-H509 VanDerWaalsContact C-N 3.27Å; M507-H509 PolarHBondContact O-N 3.46Å; H509-S511 VanDerWaalsContact C-N 3.28Å; H509-S511 PolarHBondContact O-N 3.04Å; H509-K512 WeakPolarHBondContact O-CB 3.36Å; H509-K512 PolarHBondContact O-N 3.38Å; H509-V513 PolarHBondContact O-N 3.47Å; H509-V513 VanDerWaalsContact O-N 3.09Å
510L97.9Very high96Very high0 Ų047.8 Ų47.80%023%0.228CC..Hα-helixtrans-64.3-31.9-178.6-63.6-175000112.5Y411 L506 M507 V513 A514 L527 F531 I560Y411-L510 HydrophobicContact CD2-CD2 4.22Å; Y411-L510 HydrophobicContact CE2-CD2 3.93Å; L506-L510 HydrophobicContact CD1-CD1 4.35Å; L506-L510 HydrophobicContact CD1-CG 4.24Å; L506-L510 HydrophobicContact CG-CD1 4.09Å; L506-L510 HydrophobicContact CG-CG 4.29Å; L506-L510 WeakPolarHBondContact O-CG 3.23Å; L506-L510 PolarHBondContact O-N 2.9Å; M507-L510 HydrophobicContact CE-CD1 3.82Å; M507-L510 PolarHBondContact O-N 3.44Å; L510-V513 PolarHBondContact O-N 3.44Å; L510-A514 WeakPolarHBondContact O-CB 3.33Å; L510-A514 PolarHBondContact O-N 2.88Å; L510-L527 HydrophobicContact CB-CD1 4.33Å; L510-L527 HydrophobicContact CD2-CD2 4.33Å; L510-L527 WeakPolarHBondContact O-CD1 3.31Å; L510-F531 HydrophobicContact CD1-CB 4.39Å; L510-F531 HydrophobicContact CD1-CD1 4.26Å; L510-F531 HydrophobicContact CD1-CD2 3.59Å; L510-F531 HydrophobicContact CD1-CE1 4.45Å; L510-F531 HydrophobicContact CD1-CE2 3.81Å; L510-F531 HydrophobicContact CD1-CG 3.82Å; L510-F531 HydrophobicContact CD1-CZ 4.23Å; L510-F531 HydrophobicContact CD2-CD2 4.15Å; L510-F531 HydrophobicContact CD2-CE2 3.57Å; L510-F531 HydrophobicContact CD2-CZ 3.97Å; L510-F531 HydrophobicContact CG-CE2 4.35Å; L510-I560 HydrophobicContact CB-CD1 3.85Å; L510-I560 HydrophobicContact CB-CG1 3.94Å; L510-I560 HydrophobicContact CD1-CD1 3.97Å; L510-I560 HydrophobicContact CD1-CG1 4.41Å
511S97.6Very high95.8Very high15 Ų1550 Ų5011%0.10524%0.243CC..Hα-helixtrans-56.8-48.6168.4167.40000112.3M507 H509 V513 A514 N515 H563M507-S511 WeakPolarHBondContact O-CB 3.44Å; M507-S511 PolarHBondContact O-N 3.21Å; H509-S511 VanDerWaalsContact C-N 3.28Å; H509-S511 PolarHBondContact O-N 3.04Å; S511-V513 VanDerWaalsContact C-N 3.34Å; S511-V513 PolarHBondContact O-N 3.26Å; S511-A514 PolarHBondContact O-N 3.24Å; S511-N515 VanDerWaalsContact O-CG 3.22Å; S511-N515 PolarHBondContact O-N 3.41Å; S511-N515 PolarHBondContact O-ND2 2.9Å; S511-H563 WeakPolarHBondContact CB-CD2 3.5Å; S511-H563 WeakPolarHBondContact CB-NE2 3.15Å; S511-H563 PolarHBondContact OG-CD2 3.38Å; S511-H563 VanDerWaalsContact OG-CD2 3.24Å; S511-H563 PolarHBondContact OG-NE2 3.1Å
512K96.8Very high95.7Very high78 Ų7846.1 Ų46.134%0.33922%0.224SC..Hα-helixtrans-61.1-41.8174.9-65.7167.9-176.3168.30112.3E401 H509 N515 H516E401-K512 HydrophobicContact CG-CD 4.33Å; E401-K512 VanDerWaalsContact OE1-CD 3.24Å; E401-K512 WeakPolarHBondContact OE1-CD 3.44Å; E401-K512 IonicContact OE1-NZ 3.53Å; E401-K512 PolarHBondContact OE1-NZ 3.15Å; E401-K512 IonicContact OE2-NZ 2.71Å; E401-K512 PolarHBondContact OE2-NZ 2.89Å; H509-K512 WeakPolarHBondContact O-CB 3.36Å; H509-K512 PolarHBondContact O-N 3.38Å; K512-N515 PolarHBondContact O-N 3.25Å; K512-H516 PolarHBondContact O-N 3.2Å; K512-H516 PolarHBondContact O-ND1 3.34Å
513V97.4Very high95.6Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-60.5-46.8176.6177.50000110.3I405 L410 Y411 H509 L510 S511 N515 H516 N520 M522 L527I405-V513 HydrophobicContact CD1-CB 4.41Å; I405-V513 HydrophobicContact CD1-CG2 3.84Å; L410-V513 HydrophobicContact CB-CG1 4.21Å; L410-V513 HydrophobicContact CD1-CG1 3.79Å; L410-V513 HydrophobicContact CD1-CG2 4.31Å; Y411-V513 HydrophobicContact CE2-CG2 4.32Å; H509-V513 PolarHBondContact O-N 3.47Å; H509-V513 VanDerWaalsContact O-N 3.09Å; L510-V513 PolarHBondContact O-N 3.44Å; S511-V513 VanDerWaalsContact C-N 3.34Å; S511-V513 PolarHBondContact O-N 3.26Å; V513-N515 VanDerWaalsContact C-N 3.31Å; V513-N515 PolarHBondContact O-N 2.91Å; V513-H516 PolarHBondContact O-N 3.39Å; V513-H516 VanDerWaalsContact O-N 3.07Å; V513-N520 PolarHBondContact O-ND2 3.35Å; V513-M522 HydrophobicContact CG1-CB 4.15Å; V513-L527 HydrophobicContact CB-CD1 4.16Å; V513-L527 HydrophobicContact CG1-CD1 4.03Å; V513-L527 HydrophobicContact CG1-CD2 4.18Å
514A96.3Very high95.5Very high5 Ų549.8 Ų49.84%0.04125%0.247CC..Hα-helixtrans-60.7-37.1175.900000112.7L510 S511 H516 N517 M522 V524 L527 I560L510-A514 WeakPolarHBondContact O-CB 3.33Å; L510-A514 PolarHBondContact O-N 2.88Å; S511-A514 PolarHBondContact O-N 3.24Å; A514-H516 PolarHBondContact O-N 3.29Å; A514-N517 VanDerWaalsContact O-CB 3.25Å; A514-N517 WeakPolarHBondContact O-CB 3.3Å; A514-N517 PolarHBondContact O-N 3.09Å; A514-N517 VanDerWaalsContact O-N 3.14Å; A514-N517 PolarHBondContact O-ND2 3.32Å; A514-M522 WeakPolarHBondContact CA-O 3.46Å; A514-V524 HydrophobicContact CB-CG2 3.76Å; A514-L527 HydrophobicContact CB-CD1 4.04Å; A514-I560 HydrophobicContact CB-CG2 4.49Å
515N96.6Very high95.3Very high119 Ų11947 Ų4764%0.63624%0.236SC*.Hα-helixtrans-67.5-17176.5-68-28000113.5S511 K512 V513S511-N515 VanDerWaalsContact O-CG 3.22Å; S511-N515 PolarHBondContact O-N 3.41Å; S511-N515 PolarHBondContact O-ND2 2.9Å; K512-N515 PolarHBondContact O-N 3.25Å; V513-N515 VanDerWaalsContact C-N 3.31Å; V513-N515 PolarHBondContact O-N 2.91Å
516H95.6Very high95Very high74 Ų7446 Ų4634%0.34323%0.231SC..THydrogen-bonded Turntrans-100.815.9174.4-64.772.5000113I405 D406 K512 V513 A514 Q518 Q519 N520I405-H516 HydrophobicContact CG1-CB 4.19Å; D406-H516 IonicContact OD1-CD2 3.49Å; K512-H516 PolarHBondContact O-N 3.2Å; K512-H516 PolarHBondContact O-ND1 3.34Å; V513-H516 PolarHBondContact O-N 3.39Å; V513-H516 VanDerWaalsContact O-N 3.07Å; A514-H516 PolarHBondContact O-N 3.29Å; H516-Q518 PolarHBondContact O-N 3.2Å; H516-Q519 PolarHBondContact O-N 3.14Å; H516-N520 WeakPolarHBondContact CB-ND2 3.48Å; H516-N520 PolarHBondContact O-N 3.25Å; H516-N520 VanDerWaalsContact O-N 3.11Å; H516-N520 PolarHBondContact O-ND2 3.25Å
517N92.8Very high94.9Very high60 Ų6046 Ų4632%0.32123%0.231SC..Hα-helixtrans-56.3-24.4-175.573.983.9000115A514 Q519 N520 L521 T523A514-N517 VanDerWaalsContact O-CB 3.25Å; A514-N517 WeakPolarHBondContact O-CB 3.3Å; A514-N517 PolarHBondContact O-N 3.09Å; A514-N517 VanDerWaalsContact O-N 3.14Å; A514-N517 PolarHBondContact O-ND2 3.32Å; N517-Q519 PolarHBondContact O-N 2.79Å; N517-N520 WeakPolarHBondContact CA-OD1 3.45Å; N517-L521 WeakPolarHBondContact O-CA 3.22Å; N517-L521 PolarHBondContact O-N 3.28Å; N517-T523 HydrophobicContact CB-CG2 4.32Å
518Q92.3Very high94.7Very high180 Ų18046 Ų4684%0.84123%0.231SC*.Hα-helixtrans-62.9-26.7176-63.9-178.10.400113.1H516H516-Q518 PolarHBondContact O-N 3.2Å
519Q92.1Very high94.4Very high112 Ų11241.8 Ų41.852%0.52322%0.215SC..Hα-helixtrans-103.7-49.6176.2-58.9-161.597.600111.6D406 Q408 H516 N517D406-Q519 HydrophobicContact CB-CB 3.98Å; D406-Q519 PolarHBondContact OD1-NE2 2.66Å; D406-Q519 PolarHBondContact OD2-NE2 3.02Å; D406-Q519 VanDerWaalsContact OD2-NE2 3.12Å; Q408-Q519 WeakPolarHBondContact CG-O 3.34Å; H516-Q519 PolarHBondContact O-N 3.14Å; N517-Q519 PolarHBondContact O-N 2.79Å
520N94.2Very high94.2Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-85.2-8.3-173.470.335.7000114.9I405 E407 Q408 G409 L410 V513 H516 N517 M522I405-N520 WeakPolarHBondContact O-CB 3.48Å; I405-N520 PolarHBondContact O-ND2 3.08Å; E407-N520 VanDerWaalsContact O-CB 3.29Å; E407-N520 WeakPolarHBondContact O-CB 3.4Å; Q408-N520 WeakPolarHBondContact CA-O 3.48Å; G409-N520 PolarHBondContact N-O 2.86Å; L410-N520 HydrophobicContact CD1-CB 4.24Å; V513-N520 PolarHBondContact O-ND2 3.35Å; H516-N520 WeakPolarHBondContact CB-ND2 3.48Å; H516-N520 PolarHBondContact O-N 3.25Å; H516-N520 VanDerWaalsContact O-N 3.11Å; H516-N520 PolarHBondContact O-ND2 3.25Å; N517-N520 WeakPolarHBondContact CA-OD1 3.45Å; N520-M522 PolarHBondContact O-N 2.76Å; N520-M522 WeakPolarHBondContact OD1-CB 3.46Å; N520-M522 PolarHBondContact OD1-N 2.87Å
521L90.7Very high94.1Very high95 Ų9543 Ų4350%0.49722%0.222SC..  trans61.515.8179.3-48.9178.9000115.5Q408 N517 N526Q408-L521 HydrophobicContact CG-CD1 4.24Å; Q408-L521 HydrophobicContact CG-CG 4.37Å; N517-L521 WeakPolarHBondContact O-CA 3.22Å; N517-L521 PolarHBondContact O-N 3.28Å; L521-N526 PolarHBondContact O-ND2 3.48Å
522M93.3Very high93.8Very high2 Ų242.2 Ų42.21%0.0122%0.217CC..  trans-10485.5-179.7-66.1-58.8-59.800111.6L410 R412 V513 A514 N520 N526 L527 V530L410-M522 HydrophobicContact CB-CG 4.16Å; L410-M522 VanDerWaalsContact O-CE 3.31Å; L410-M522 WeakPolarHBondContact O-CE 3.37Å; L410-M522 WeakPolarHBondContact O-CG 3.42Å; R412-M522 HydrophobicContact CB-CE 4.06Å; R412-M522 HydrophobicContact CB-SD 3.8Å; V513-M522 HydrophobicContact CG1-CB 4.15Å; A514-M522 WeakPolarHBondContact CA-O 3.46Å; N520-M522 PolarHBondContact O-N 2.76Å; N520-M522 WeakPolarHBondContact OD1-CB 3.46Å; N520-M522 PolarHBondContact OD1-N 2.87Å; M522-N526 HydrophobicContact CE-CB 3.7Å; M522-N526 HydrophobicContact SD-CB 4.14Å; M522-L527 HydrophobicContact CB-CD2 4.12Å; M522-L527 HydrophobicContact CB-CG 4.23Å; M522-L527 HydrophobicContact CE-CD2 3.64Å; M522-L527 HydrophobicContact CE-CG 4.12Å; M522-V530 HydrophobicContact CE-CG2 4.45Å
523T93.9Very high93.4Very high50 Ų5040 Ų4031%0.30721%0.21SC..  trans-64.3165.8169.2620000112.1N517 A525 N526 L527N517-T523 HydrophobicContact CB-CG2 4.32Å; T523-A525 VanDerWaalsContact C-N 3.3Å; T523-A525 PolarHBondContact O-N 3.11Å; T523-N526 PolarHBondContact O-N 3.36Å; T523-N526 VanDerWaalsContact O-N 3.08Å; T523-N526 PolarHBondContact OG1-N 2.96Å; T523-L527 WeakPolarHBondContact O-CG 3.49Å; T523-L527 PolarHBondContact O-N 3.1Å
524V94.8Very high93.1Very high29 Ų2940.4 Ų40.418%0.17621%0.212CC..Hα-helixtrans-51.1-48.7172.7179.20000111.4A514 N526 L527 G528 E557 I560 E561A514-V524 HydrophobicContact CB-CG2 3.76Å; V524-N526 PolarHBondContact O-N 3.44Å; V524-L527 CarbonylContact O-C 3.23Å; V524-L527 PolarHBondContact O-N 2.91Å; V524-L527 VanDerWaalsContact O-N 3.14Å; V524-G528 PolarHBondContact O-N 2.86Å; V524-E557 HydrophobicContact CG1-CB 3.87Å; V524-E557 HydrophobicContact CG1-CG 4.1Å; V524-I560 HydrophobicContact CG1-CB 4.1Å; V524-I560 HydrophobicContact CG1-CG2 4.1Å; V524-I560 HydrophobicContact CG2-CG2 4.06Å; V524-E561 HydrophobicContact CG1-CG 4.04Å; V524-E561 HydrophobicContact CG2-CG 4.21Å
525A91.2Very high93Very high12 Ų1240.1 Ų40.110%0.09921%0.21CC..Hα-helixtrans-60.7-40.2177.100000113.2T523 L527 G528 V529T523-A525 VanDerWaalsContact C-N 3.3Å; T523-A525 PolarHBondContact O-N 3.11Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 2.97Å; A525-G528 PolarHBondContact O-N 3.07Å; A525-V529 WeakPolarHBondContact O-CG2 3.37Å; A525-V529 PolarHBondContact O-N 3.26Å
526N92.2Very high92.7Very high24 Ų2434.5 Ų34.513%0.12818%0.18CC..Hα-helixtrans-65.2-34.9175.6-72.4-12.3000112N237 L521 M522 T523 V524 V530N237-N526 PolarHBondContact ND2-OD1 3Å; L521-N526 PolarHBondContact O-ND2 3.48Å; M522-N526 HydrophobicContact CE-CB 3.7Å; M522-N526 HydrophobicContact SD-CB 4.14Å; T523-N526 PolarHBondContact O-N 3.36Å; T523-N526 VanDerWaalsContact O-N 3.08Å; T523-N526 PolarHBondContact OG1-N 2.96Å; V524-N526 PolarHBondContact O-N 3.44Å; N526-V530 WeakPolarHBondContact O-CG2 3.15Å; N526-V530 PolarHBondContact O-N 3.16Å
527L95.1Very high92.2Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-74.5-37.8174.2-65.5169.8000111.7Y411 L510 V513 A514 M522 T523 V524 A525 V530 F531 I560Y411-L527 HydrophobicContact CD2-CD2 4.25Å; L510-L527 HydrophobicContact CB-CD1 4.33Å; L510-L527 HydrophobicContact CD2-CD2 4.33Å; L510-L527 WeakPolarHBondContact O-CD1 3.31Å; V513-L527 HydrophobicContact CB-CD1 4.16Å; V513-L527 HydrophobicContact CG1-CD1 4.03Å; V513-L527 HydrophobicContact CG1-CD2 4.18Å; A514-L527 HydrophobicContact CB-CD1 4.04Å; M522-L527 HydrophobicContact CB-CD2 4.12Å; M522-L527 HydrophobicContact CB-CG 4.23Å; M522-L527 HydrophobicContact CE-CD2 3.64Å; M522-L527 HydrophobicContact CE-CG 4.12Å; T523-L527 WeakPolarHBondContact O-CG 3.49Å; T523-L527 PolarHBondContact O-N 3.1Å; V524-L527 CarbonylContact O-C 3.23Å; V524-L527 PolarHBondContact O-N 2.91Å; V524-L527 VanDerWaalsContact O-N 3.14Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 2.97Å; L527-V530 PolarHBondContact O-N 2.99Å; L527-V530 VanDerWaalsContact O-N 3.11Å; L527-F531 WeakPolarHBondContact O-CB 3.31Å; L527-F531 PolarHBondContact O-N 2.82Å; L527-I560 HydrophobicContact CB-CD1 3.96Å
528G94Very high91.4Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-55.1-50.3172.600000112.2V524 A525 V530 F531 G532 N553V524-G528 PolarHBondContact O-N 2.86Å; A525-G528 PolarHBondContact O-N 3.07Å; G528-V530 PolarHBondContact O-N 2.8Å; G528-F531 PolarHBondContact O-N 2.85Å; G528-G532 WeakPolarHBondContact O-CA 3.18Å; G528-G532 PolarHBondContact O-N 3.1Å; G528-N553 PolarHBondContact O-OD1 3.18Å
529V91.1Very high90.5Very high22 Ų2230.2 Ų30.213%0.13316%0.16CC..Hα-helixtrans-58.3-32175.1171.60000113.1R238 A525R238-V529 HydrophobicContact CG-CG2 3.78Å; A525-V529 WeakPolarHBondContact O-CG2 3.37Å; A525-V529 PolarHBondContact O-N 3.26Å
530V92.4Very high89.5Confident25 Ų2528.1 Ų28.115%0.15215%0.15CC..Hα-helixtrans-83.4-36.8179.5172.40000112.5Y411 K453 M522 N526 L527 G528 T534Y411-V530 WeakPolarHBondContact O-CG1 3.34Å; K453-V530 HydrophobicContact CD-CG1 3.6Å; M522-V530 HydrophobicContact CE-CG2 4.45Å; N526-V530 WeakPolarHBondContact O-CG2 3.15Å; N526-V530 PolarHBondContact O-N 3.16Å; L527-V530 PolarHBondContact O-N 2.99Å; L527-V530 VanDerWaalsContact O-N 3.11Å; G528-V530 PolarHBondContact O-N 2.8Å; V530-T534 PolarHBondContact O-OG1 2.75Å; V530-T534 VanDerWaalsContact O-OG1 3.05Å
531F95.5Very high88.4Confident0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-100.5-22.8-171.8-81.7-83.1000114.8Y411 K453 L456 L506 L510 L527 G528 T534 L535 V556Y411-F531 AromaticContact CD1-CE2 3.79Å; Y411-F531 HydrophobicContact CD1-CE2 3.79Å; Y411-F531 AromaticContact CD1-CZ 3.54Å; Y411-F531 HydrophobicContact CD1-CZ 3.54Å; Y411-F531 HydrophobicContact CD2-CE2 4.14Å; Y411-F531 HydrophobicContact CE1-CE2 4.33Å; Y411-F531 AromaticContact CE1-CZ 3.79Å; Y411-F531 HydrophobicContact CE1-CZ 3.79Å; Y411-F531 AromaticContact CG-CE2 3.68Å; Y411-F531 HydrophobicContact CG-CE2 3.68Å; Y411-F531 AromaticContact CG-CZ 3.95Å; Y411-F531 HydrophobicContact CG-CZ 3.95Å; K453-F531 HydrophobicContact CG-CE1 4.19Å; K453-F531 HydrophobicContact CG-CZ 4.07Å; L456-F531 HydrophobicContact CD1-CE1 4.02Å; L506-F531 HydrophobicContact CD1-CE1 4.09Å; L506-F531 HydrophobicContact CD1-CZ 4.36Å; L506-F531 HydrophobicContact CD2-CD1 4.1Å; L506-F531 HydrophobicContact CD2-CE1 4.07Å; L510-F531 HydrophobicContact CD1-CB 4.39Å; L510-F531 HydrophobicContact CD1-CD1 4.26Å; L510-F531 HydrophobicContact CD1-CD2 3.59Å; L510-F531 HydrophobicContact CD1-CE1 4.45Å; L510-F531 HydrophobicContact CD1-CE2 3.81Å; L510-F531 HydrophobicContact CD1-CG 3.82Å; L510-F531 HydrophobicContact CD1-CZ 4.23Å; L510-F531 HydrophobicContact CD2-CD2 4.15Å; L510-F531 HydrophobicContact CD2-CE2 3.57Å; L510-F531 HydrophobicContact CD2-CZ 3.97Å; L510-F531 HydrophobicContact CG-CE2 4.35Å; L527-F531 WeakPolarHBondContact O-CB 3.31Å; L527-F531 PolarHBondContact O-N 2.82Å; G528-F531 PolarHBondContact O-N 2.85Å; F531-T534 HydrophobicContact CD1-CG2 4.25Å; F531-T534 CarbonylContact O-C 3.58Å; F531-T534 WeakPolarHBondContact O-CA 3.39Å; F531-T534 WeakPolarHBondContact O-CB 3.42Å; F531-T534 PolarHBondContact O-N 3.11Å; F531-L535 HydrophobicContact CB-CD1 4.06Å; F531-L535 HydrophobicContact CB-CG 4.4Å; F531-L535 HydrophobicContact CD1-CD1 4.32Å; F531-L535 HydrophobicContact CD1-CG 4.35Å; F531-L535 WeakPolarHBondContact O-CB 3.28Å; F531-L535 VanDerWaalsContact O-CG 3.29Å; F531-L535 WeakPolarHBondContact O-CG 3.47Å; F531-L535 PolarHBondContact O-N 3.12Å; F531-V556 HydrophobicContact CB-CG1 3.87Å
532G92.8Very high87.7Confident0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-48.6-65.417300000112.9G528 T534 L535 L536G528-G532 WeakPolarHBondContact O-CA 3.18Å; G528-G532 PolarHBondContact O-N 3.1Å; G532-T534 PolarHBondContact O-N 3.24Å; G532-L535 PolarHBondContact O-N 3Å; G532-L535 VanDerWaalsContact O-N 3.16Å; G532-L536 PolarHBondContact O-N 3.4Å
533P88.4Confident86.8Confident30 Ų3033.8 Ų33.820%0.19518%0.182CC..Hα-helixtrans-65.5-16.9176.126.6-35.3000113.8R537 I549 N553P533-R537 WeakPolarHBondContact O-CG 3.29Å; P533-I549 HydrophobicContact CB-CG2 4.49Å; P533-I549 HydrophobicContact CG-CG2 4.47Å; P533-N553 WeakPolarHBondContact CD-OD1 3.38Å
534T90Very high85.9Confident9 Ų934.5 Ų34.56%0.05519%0.193CC..Hα-helixtrans-76.2-41.1173.3-64.40000111.6L456 R457 V530 F531 G532 R537L456-T534 HydrophobicContact CB-CG2 3.84Å; L456-T534 HydrophobicContact CD1-CG2 4.34Å; R457-T534 HydrophobicContact CG-CG2 4.21Å; V530-T534 PolarHBondContact O-OG1 2.75Å; V530-T534 VanDerWaalsContact O-OG1 3.05Å; F531-T534 HydrophobicContact CD1-CG2 4.25Å; F531-T534 CarbonylContact O-C 3.58Å; F531-T534 WeakPolarHBondContact O-CA 3.39Å; F531-T534 WeakPolarHBondContact O-CB 3.42Å; F531-T534 PolarHBondContact O-N 3.11Å; G532-T534 PolarHBondContact O-N 3.24Å; T534-R537 PolarHBondContact O-NH1 3.21Å
535L93.8Very high85.1Confident0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-98.6-22.9-168.6-63.1178000114.4L456 P462 L463 M464 L503 L506 M507 F531 G532 V556L456-L535 HydrophobicContact CD1-CD2 4.28Å; P462-L535 VanDerWaalsContact CB-O 3.32Å; P462-L535 WeakPolarHBondContact CB-O 3.17Å; L463-L535 HydrophobicContact CB-CD2 3.94Å; L463-L535 HydrophobicContact CD2-CD2 3.94Å; M464-L535 HydrophobicContact CG-CB 4.46Å; M464-L535 PolarHBondContact N-O 2.73Å; M464-L535 HydrophobicContact SD-CB 4.25Å; L503-L535 HydrophobicContact CD1-CD1 4.17Å; L506-L535 HydrophobicContact CD2-CD1 3.97Å; L506-L535 HydrophobicContact CD2-CD2 3.83Å; L506-L535 HydrophobicContact CD2-CG 4.46Å; M507-L535 HydrophobicContact CE-CD1 3.75Å; F531-L535 HydrophobicContact CB-CD1 4.06Å; F531-L535 HydrophobicContact CB-CG 4.4Å; F531-L535 HydrophobicContact CD1-CD1 4.32Å; F531-L535 HydrophobicContact CD1-CG 4.35Å; F531-L535 WeakPolarHBondContact O-CB 3.28Å; F531-L535 VanDerWaalsContact O-CG 3.29Å; F531-L535 WeakPolarHBondContact O-CG 3.47Å; F531-L535 PolarHBondContact O-N 3.12Å; G532-L535 PolarHBondContact O-N 3Å; G532-L535 VanDerWaalsContact O-N 3.16Å; L535-V556 HydrophobicContact CB-CG2 4.5Å; L535-V556 HydrophobicContact CD1-CG2 3.98Å
536L90.1Very high84.6Confident1 Ų133.8 Ų33.81%0.00519%0.189CC..SBendtrans-123.230.7-176-75.7161.2000113.3M464 Q469 F472 G532 Q552 V555M464-L536 HydrophobicContact CB-CD2 3.67Å; M464-L536 HydrophobicContact CB-CG 4.23Å; M464-L536 HydrophobicContact CE-CD1 4.39Å; M464-L536 HydrophobicContact CE-CD2 4.09Å; M464-L536 HydrophobicContact CE-CG 4.4Å; M464-L536 HydrophobicContact CG-CD2 4.32Å; M464-L536 HydrophobicContact CG-CG 4.45Å; M464-L536 HydrophobicContact SD-CD1 3.93Å; M464-L536 HydrophobicContact SD-CD2 3.88Å; M464-L536 HydrophobicContact SD-CG 3.67Å; Q469-L536 HydrophobicContact CB-CD2 4.46Å; Q469-L536 HydrophobicContact CG-CD2 4.21Å; Q469-L536 WeakPolarHBondContact CG-O 3.34Å; F472-L536 HydrophobicContact CB-CD2 4.03Å; F472-L536 HydrophobicContact CD2-CD2 4.11Å; F472-L536 HydrophobicContact CG-CD2 4.3Å; G532-L536 PolarHBondContact O-N 3.4Å; L536-Q552 HydrophobicContact CB-CB 4.11Å; L536-Q552 HydrophobicContact CB-CG 3.78Å; L536-Q552 HydrophobicContact CD1-CB 4.13Å; L536-Q552 HydrophobicContact CD1-CG 4.36Å; L536-Q552 PolarHBondContact O-OE1 3.29Å; L536-V555 HydrophobicContact CD1-CB 3.74Å; L536-V555 HydrophobicContact CD1-CG1 3.81Å; L536-V555 HydrophobicContact CD1-CG2 4.15Å
537R85.5Confident84Confident36 Ų3636.2 Ų36.214%0.13620%0.2CC..  trans-39.6124178.5-64.8-170.3-63.9-85.419.7111.6L456 R457 L459 A461 P462 Y466 P533 T534L456-R537 PolarHBondContact O-NH1 2.84Å; L456-R537 PolarHBondContact O-NH2 3.36Å; R457-R537 PolarHBondContact O-NH2 2.97Å; L459-R537 PolarHBondContact O-NH2 3.09Å; A461-R537 PolarHBondContact O-NH2 2.98Å; P462-R537 HydrophobicContact CB-CB 4.07Å; P462-R537 HydrophobicContact CB-CG 4.44Å; P462-R537 HydrophobicContact CG-CB 4.26Å; Y466-R537 WeakPolarHBondContact CE1-O 3.5Å; P533-R537 WeakPolarHBondContact O-CG 3.29Å; T534-R537 PolarHBondContact O-NH1 3.21Å
538P76.5Confident83.6Confident38 Ų3837.9 Ų37.925%0.24721%0.209CC..  trans-66.7154.8174.829.6-34.7000110.6E540 A545P538-E540 VanDerWaalsContact C-N 3.33Å; P538-A545 HydrophobicContact CB-CB 3.79Å; P538-A545 HydrophobicContact CG-CB 4.17Å
539Q74.1Confident83.2Confident149 Ų14938.2 Ų38.270%0.69621%0.21SC*.SBendtrans-77.9-20.8176.1-174.4173.2-17.500112.5Y466Y466-Q539 HydrophobicContact CD1-CB 3.81Å; Y466-Q539 HydrophobicContact CD1-CG 4.45Å; Y466-Q539 HydrophobicContact CE1-CB 4.11Å; Y466-Q539 HydrophobicContact CG-CB 4.37Å
540E69.8Low83.1Confident69 Ų6938.1 Ų38.132%0.32221%0.208SC..SBendtrans-129.4132.1-177.9-65.3165.4-137.200109.6P538 T542 A545P538-E540 VanDerWaalsContact C-N 3.33Å; E540-T542 HydrophobicContact CB-CG2 4.19Å; E540-T542 PolarHBondContact O-N 3.13Å; E540-T542 VanDerWaalsContact O-N 3.15Å; E540-A545 WeakPolarHBondContact O-CB 3.43Å
541E70.7Confident83Confident97 Ų9737 Ų3745%0.45320%0.202SC..  trans-84.885.5177-60.6-164.7-173.600110.8L249 K252L249-E541 HydrophobicContact CD1-CB 3.77Å; L249-E541 WeakPolarHBondContact CD2-O 3.36Å; K252-E541 VanDerWaalsContact CD-OE2 3.28Å; K252-E541 WeakPolarHBondContact CD-OE2 3.45Å; K252-E541 IonicContact NZ-OE1 3.44Å; K252-E541 PolarHBondContact NZ-OE1 3.04Å; K252-E541 IonicContact NZ-OE2 3.28Å; K252-E541 PolarHBondContact NZ-OE2 3.41Å
542T76.4Confident82.9Confident42 Ų4237 Ų3726%0.25820%0.202SC..  trans-125.6158.4178.969.30000112E540 A544 A545 I546E540-T542 HydrophobicContact CB-CG2 4.19Å; E540-T542 PolarHBondContact O-N 3.13Å; E540-T542 VanDerWaalsContact O-N 3.15Å; T542-A544 PolarHBondContact O-N 3.36Å; T542-A545 PolarHBondContact O-N 3.09Å; T542-A545 VanDerWaalsContact O-N 3.14Å; T542-A545 WeakPolarHBondContact OG1-CB 3.28Å; T542-A545 PolarHBondContact OG1-N 3.22Å; T542-A545 VanDerWaalsContact OG1-N 3.16Å; T542-I546 WeakPolarHBondContact O-CG1 3.41Å; T542-I546 PolarHBondContact O-N 3.13Å
543V74.8Confident82.9Confident76 Ų7637 Ų3746%0.46120%0.202SC..Hα-helixtrans-60.2-35.4176.4-179.80000111.7I546 M547V543-I546 PolarHBondContact O-N 3.33Å; V543-M547 HydrophobicContact CG1-CE 4.13Å; V543-M547 WeakPolarHBondContact O-CG 3.35Å; V543-M547 PolarHBondContact O-N 3.07Å
544A75.6Confident83.2Confident65 Ų6536.2 Ų36.254%0.53720%0.195SC..Hα-helixtrans-65.7-44174.400000112T542 I546 M547 D548T542-A544 PolarHBondContact O-N 3.36Å; A544-I546 PolarHBondContact O-N 2.9Å; A544-M547 WeakPolarHBondContact O-CB 3.27Å; A544-M547 PolarHBondContact O-N 3.4Å; A544-M547 VanDerWaalsContact O-N 3.14Å; A544-D548 PolarHBondContact O-N 3.26Å
545A77.5Confident83.5Confident14 Ų1435.8 Ų35.812%0.11619%0.193CC..Hα-helixtrans-64.9-26.6174.600000113.2P538 E540 T542P538-A545 HydrophobicContact CB-CB 3.79Å; P538-A545 HydrophobicContact CG-CB 4.17Å; E540-A545 WeakPolarHBondContact O-CB 3.43Å; T542-A545 PolarHBondContact O-N 3.09Å; T542-A545 VanDerWaalsContact O-N 3.14Å; T542-A545 WeakPolarHBondContact OG1-CB 3.28Å; T542-A545 PolarHBondContact OG1-N 3.22Å; T542-A545 VanDerWaalsContact OG1-N 3.16Å
546I79.5Confident83.6Confident13 Ų1335.8 Ų35.87%0.06719%0.193CC..Hα-helixtrans-75-36.3172.4-70167.2000111.6T242 E245 V246 L249 T542 V543 A544 D548 I549T242-I546 HydrophobicContact CG2-CG2 3.69Å; E245-I546 HydrophobicContact CB-CD1 4.35Å; E245-I546 HydrophobicContact CB-CG1 4.4Å; E245-I546 HydrophobicContact CB-CG2 4.25Å; V246-I546 HydrophobicContact CG2-CD1 4.47Å; V246-I546 HydrophobicContact CG2-CG2 3.69Å; L249-I546 HydrophobicContact CB-CD1 3.98Å; L249-I546 HydrophobicContact CD2-CD1 3.59Å; L249-I546 HydrophobicContact CG-CD1 4.43Å; T542-I546 WeakPolarHBondContact O-CG1 3.41Å; T542-I546 PolarHBondContact O-N 3.13Å; V543-I546 PolarHBondContact O-N 3.33Å; A544-I546 PolarHBondContact O-N 2.9Å; I546-D548 PolarHBondContact O-N 3.12Å; I546-I549 HydrophobicContact CB-CD1 4.32Å; I546-I549 HydrophobicContact CG1-CD1 4.28Å; I546-I549 HydrophobicContact CG2-CD1 4.16Å; I546-I549 VanDerWaalsContact O-CB 3.29Å; I546-I549 WeakPolarHBondContact O-CB 3.48Å; I546-I549 WeakPolarHBondContact O-CG1 3.06Å; I546-I549 PolarHBondContact O-N 3.22Å
547M81.4Confident83.9Confident74 Ų7436.7 Ų36.737%0.36520%0.197SC..Hα-helixtrans-60.6-33.4172.2-70.5175.417700112.1I72 V543 A544 I549I72-M547 HydrophobicContact CG2-CE 3.48Å; I72-M547 VanDerWaalsContact CG2-CE 3.48Å; I72-M547 HydrophobicContact CG2-SD 4.15Å; V543-M547 HydrophobicContact CG1-CE 4.13Å; V543-M547 WeakPolarHBondContact O-CG 3.35Å; V543-M547 PolarHBondContact O-N 3.07Å; A544-M547 WeakPolarHBondContact O-CB 3.27Å; A544-M547 PolarHBondContact O-N 3.4Å; A544-M547 VanDerWaalsContact O-N 3.14Å; M547-I549 PolarHBondContact O-N 2.91Å
548D85.8Confident84.4Confident35 Ų3535.5 Ų35.519%0.18719%0.193CC..THydrogen-bonded Turntrans-68.1-12.4174.8-85-20.8000114.3I473 K477 A544 I546 K550 F551 Q552I473-D548 HydrophobicContact CD1-CB 4.34Å; I473-D548 HydrophobicContact CG2-CB 4.34Å; I473-D548 WeakPolarHBondContact CG2-OD1 3.32Å; K477-D548 WeakPolarHBondContact CE-OD1 3.45Å; K477-D548 IonicContact NZ-OD1 3.63Å; K477-D548 PolarHBondContact NZ-OD1 3.4Å; A544-D548 PolarHBondContact O-N 3.26Å; I546-D548 PolarHBondContact O-N 3.12Å; D548-K550 PolarHBondContact O-N 2.89Å; D548-F551 PolarHBondContact O-N 3.34Å; D548-Q552 PolarHBondContact O-N 3.16Å
549I86.6Confident85.4Confident7 Ų733.7 Ų33.74%0.03618%0.181CC..Hα-helixtrans-61.2-33.2179.5-64.3174.9000111.6E245 P533 I546 M547 F551 Q552 N553E245-I549 HydrophobicContact CB-CD1 4.27Å; E245-I549 HydrophobicContact CG-CD1 4.06Å; P533-I549 HydrophobicContact CB-CG2 4.49Å; P533-I549 HydrophobicContact CG-CG2 4.47Å; I546-I549 HydrophobicContact CB-CD1 4.32Å; I546-I549 HydrophobicContact CG1-CD1 4.28Å; I546-I549 HydrophobicContact CG2-CD1 4.16Å; I546-I549 VanDerWaalsContact O-CB 3.29Å; I546-I549 WeakPolarHBondContact O-CB 3.48Å; I546-I549 WeakPolarHBondContact O-CG1 3.06Å; I546-I549 PolarHBondContact O-N 3.22Å; M547-I549 PolarHBondContact O-N 2.91Å; I549-F551 PolarHBondContact O-N 2.96Å; I549-Q552 WeakPolarHBondContact O-CB 3.49Å; I549-Q552 PolarHBondContact O-N 3.09Å; I549-Q552 VanDerWaalsContact O-N 3.1Å; I549-N553 PolarHBondContact O-N 3.26Å; I549-N553 PolarHBondContact O-ND2 3.41Å; I549-N553 PolarHBondContact O-OD1 2.9Å
550K87.3Confident86.5Confident21 Ų2126.7 Ų26.79%0.09115%0.149CC..Hα-helixtrans-59.9-32.5175.275.5-176.9-178169.90112.4A75 T77 E80 D548 I554A75-K550 PolarHBondContact O-NZ 3.38Å; A75-K550 VanDerWaalsContact O-NZ 3.11Å; T77-K550 HydrophobicContact CG2-CB 4.45Å; T77-K550 HydrophobicContact CG2-CD 3.8Å; T77-K550 HydrophobicContact CG2-CG 3.87Å; E80-K550 IonicContact OE1-NZ 3.69Å; E80-K550 PolarHBondContact OE1-NZ 3.17Å; E80-K550 IonicContact OE2-NZ 2.74Å; E80-K550 PolarHBondContact OE2-NZ 3.41Å; D548-K550 PolarHBondContact O-N 2.89Å; K550-I554 WeakPolarHBondContact O-CG1 3.48Å; K550-I554 PolarHBondContact O-N 3.34Å
551F91.3Very high87.8Confident2 Ų228.9 Ų28.91%0.00916%0.159CC..Hα-helixtrans-82.7-31.7174.6-60.2-71.9000112.7A75 T77 I473 A476 K477 D548 I549 N553 I554 V555A75-F551 HydrophobicContact CB-CE1 4.34Å; A75-F551 HydrophobicContact CB-CE2 4.34Å; A75-F551 HydrophobicContact CB-CZ 3.68Å; T77-F551 HydrophobicContact CG2-CD1 4.12Å; T77-F551 HydrophobicContact CG2-CE1 3.59Å; T77-F551 HydrophobicContact CG2-CZ 3.97Å; I473-F551 HydrophobicContact CD1-CB 4.05Å; I473-F551 HydrophobicContact CG2-CB 4.22Å; A476-F551 HydrophobicContact CB-CB 4.19Å; A476-F551 HydrophobicContact CB-CD1 4.4Å; K477-F551 HydrophobicContact CD-CD2 4.31Å; K477-F551 HydrophobicContact CD-CE2 4.24Å; K477-F551 HydrophobicContact CD-CZ 4.42Å; K477-F551 HydrophobicContact CG-CD1 3.66Å; K477-F551 HydrophobicContact CG-CD2 4.06Å; K477-F551 HydrophobicContact CG-CE1 3.63Å; K477-F551 HydrophobicContact CG-CE2 4.02Å; K477-F551 HydrophobicContact CG-CG 3.89Å; K477-F551 HydrophobicContact CG-CZ 3.81Å; D548-F551 PolarHBondContact O-N 3.34Å; I549-F551 PolarHBondContact O-N 2.96Å; F551-N553 PolarHBondContact O-N 3.32Å; F551-I554 HydrophobicContact CD1-CD1 4.28Å; F551-I554 PolarHBondContact O-N 2.84Å; F551-V555 WeakPolarHBondContact O-CG2 3.43Å; F551-V555 PolarHBondContact O-N 2.89Å
552Q93.1Very high88.9Confident0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-57.4-40.6169.8-63.5172.332.700111.4I473 L536 D548 I549 V555 V556I473-Q552 HydrophobicContact CD1-CB 4.41Å; I473-Q552 HydrophobicContact CD1-CG 3.53Å; L536-Q552 HydrophobicContact CB-CB 4.11Å; L536-Q552 HydrophobicContact CB-CG 3.78Å; L536-Q552 HydrophobicContact CD1-CB 4.13Å; L536-Q552 HydrophobicContact CD1-CG 4.36Å; L536-Q552 PolarHBondContact O-OE1 3.29Å; D548-Q552 PolarHBondContact O-N 3.16Å; I549-Q552 WeakPolarHBondContact O-CB 3.49Å; I549-Q552 PolarHBondContact O-N 3.09Å; I549-Q552 VanDerWaalsContact O-N 3.1Å; Q552-V555 PolarHBondContact O-N 2.9Å; Q552-V556 PolarHBondContact O-N 3.36Å
553N93.7Very high89.8Confident0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-63.3-49.5176.4-58.8-16.3000110.4G528 P533 I549 F551 V555 V556 E557G528-N553 PolarHBondContact O-OD1 3.18Å; P533-N553 WeakPolarHBondContact CD-OD1 3.38Å; I549-N553 PolarHBondContact O-N 3.26Å; I549-N553 PolarHBondContact O-ND2 3.41Å; I549-N553 PolarHBondContact O-OD1 2.9Å; F551-N553 PolarHBondContact O-N 3.32Å; N553-V555 VanDerWaalsContact C-N 3.33Å; N553-V555 PolarHBondContact O-N 3.24Å; N553-V556 CarbonylContact O-C 3.56Å; N553-V556 WeakPolarHBondContact O-CA 3.31Å; N553-V556 PolarHBondContact O-N 2.9Å; N553-E557 VanDerWaalsContact O-CG 3.26Å; N553-E557 WeakPolarHBondContact O-CG 3.42Å; N553-E557 PolarHBondContact O-N 3.42Å
554I93.3Very high90.6Very high12 Ų1229.5 Ų29.56%0.06215%0.154CC..Hα-helixtrans-58.9-38.8177.7-70.4166.9000112.7T77 A476 K550 F551 V556 E557 I558T77-I554 HydrophobicContact CG2-CD1 3.37Å; A476-I554 HydrophobicContact CB-CB 4.44Å; A476-I554 HydrophobicContact CB-CG2 4.03Å; K550-I554 WeakPolarHBondContact O-CG1 3.48Å; K550-I554 PolarHBondContact O-N 3.34Å; F551-I554 HydrophobicContact CD1-CD1 4.28Å; F551-I554 PolarHBondContact O-N 2.84Å; I554-V556 VanDerWaalsContact C-N 3.3Å; I554-V556 PolarHBondContact O-N 3.17Å; I554-E557 PolarHBondContact O-N 3.44Å; I554-I558 HydrophobicContact CG2-CD1 3.84Å; I554-I558 HydrophobicContact CG2-CG1 4.44Å; I554-I558 WeakPolarHBondContact O-CB 3.5Å; I554-I558 WeakPolarHBondContact O-CG1 3.34Å; I554-I558 PolarHBondContact O-N 3.46Å
555V96.6Very high91.4Very high0 Ų030.3 Ų30.30%014%0.143CC..Hα-helixtrans-59.6-44.1173.8176.50000110.6M464 F472 A476 I488 L536 F551 Q552 N553 L559M464-V555 HydrophobicContact CE-CG1 3.71Å; M464-V555 HydrophobicContact SD-CG1 4.44Å; F472-V555 HydrophobicContact CB-CG1 4.24Å; F472-V555 HydrophobicContact CB-CG2 4.1Å; F472-V555 HydrophobicContact CD1-CG1 3.94Å; F472-V555 HydrophobicContact CG-CG1 4.36Å; F472-V555 WeakPolarHBondContact O-CG2 3.25Å; A476-V555 HydrophobicContact CB-CG2 3.64Å; I488-V555 HydrophobicContact CD1-CG1 4.43Å; I488-V555 HydrophobicContact CD1-CG2 4.44Å; L536-V555 HydrophobicContact CD1-CB 3.74Å; L536-V555 HydrophobicContact CD1-CG1 3.81Å; L536-V555 HydrophobicContact CD1-CG2 4.15Å; F551-V555 WeakPolarHBondContact O-CG2 3.43Å; F551-V555 PolarHBondContact O-N 2.89Å; Q552-V555 PolarHBondContact O-N 2.9Å; N553-V555 VanDerWaalsContact C-N 3.33Å; N553-V555 PolarHBondContact O-N 3.24Å; V555-L559 HydrophobicContact CG1-CD1 3.96Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CB 3.29Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.27Å
556V97.1Very high92.2Very high0 Ų029.6 Ų29.60%014%0.137CC..Hα-helixtrans-71.4-36179.1175.60000112F531 L535 Q552 N553 I554 L559 I560F531-V556 HydrophobicContact CB-CG1 3.87Å; L535-V556 HydrophobicContact CB-CG2 4.5Å; L535-V556 HydrophobicContact CD1-CG2 3.98Å; Q552-V556 PolarHBondContact O-N 3.36Å; N553-V556 CarbonylContact O-C 3.56Å; N553-V556 WeakPolarHBondContact O-CA 3.31Å; N553-V556 PolarHBondContact O-N 2.9Å; I554-V556 VanDerWaalsContact C-N 3.3Å; I554-V556 PolarHBondContact O-N 3.17Å; V556-L559 PolarHBondContact O-N 3.07Å; V556-I560 HydrophobicContact CG1-CD1 3.82Å; V556-I560 HydrophobicContact CG1-CG1 4.35Å; V556-I560 VanDerWaalsContact O-CG1 3.25Å; V556-I560 WeakPolarHBondContact O-CG1 3.36Å; V556-I560 PolarHBondContact O-N 2.94Å
557E96.1Very high92.8Very high20 Ų2029.7 Ų29.79%0.09314%0.137CC..Hα-helixtrans-58.5-50.9173.3-67.2162-152.900110.4R238 V524 N553 I554 L559 I560 E561R238-E557 IonicContact CZ-OE1 3.83Å; R238-E557 IonicContact CZ-OE2 2.81Å; R238-E557 IonicContact NE-OE1 2.66Å; R238-E557 PolarHBondContact NE-OE1 2.89Å; R238-E557 VanDerWaalsContact NH2-CD 3.34Å; R238-E557 IonicContact NH2-OE1 2.8Å; R238-E557 PolarHBondContact NH2-OE1 2.93Å; R238-E557 VanDerWaalsContact NH2-OE1 3.16Å; R238-E557 IonicContact NH2-OE2 3.84Å; R238-E557 PolarHBondContact NH2-OE2 3.14Å; V524-E557 HydrophobicContact CG1-CB 3.87Å; V524-E557 HydrophobicContact CG1-CG 4.1Å; N553-E557 VanDerWaalsContact O-CG 3.26Å; N553-E557 WeakPolarHBondContact O-CG 3.42Å; N553-E557 PolarHBondContact O-N 3.42Å; I554-E557 PolarHBondContact O-N 3.44Å; E557-L559 PolarHBondContact O-N 3.42Å; E557-I560 PolarHBondContact O-N 3.27Å; E557-E561 PolarHBondContact O-N 3.09Å
558I96.4Very high92.8Very high11 Ų1129.2 Ų29.26%0.05615%0.151CC..Hα-helixtrans-59.6-43.1175.9-69.5167.8000111.8R484 V485 I488 I554 I560 E561 H562 I566R484-I558 HydrophobicContact CB-CD1 3.96Å; V485-I558 HydrophobicContact CG2-CG2 3.98Å; I488-I558 HydrophobicContact CD1-CB 4.2Å; I488-I558 HydrophobicContact CD1-CD1 3.72Å; I488-I558 HydrophobicContact CD1-CG2 3.92Å; I554-I558 HydrophobicContact CG2-CD1 3.84Å; I554-I558 HydrophobicContact CG2-CG1 4.44Å; I554-I558 WeakPolarHBondContact O-CB 3.5Å; I554-I558 WeakPolarHBondContact O-CG1 3.34Å; I554-I558 PolarHBondContact O-N 3.46Å; I558-I560 VanDerWaalsContact C-N 3.3Å; I558-I560 PolarHBondContact O-N 2.83Å; I558-E561 PolarHBondContact O-N 3.41Å; I558-H562 WeakPolarHBondContact O-CB 3.24Å; I558-H562 PolarHBondContact O-N 2.9Å; I558-H562 PolarHBondContact O-ND1 3.33Å; I558-I566 HydrophobicContact CG2-CD1 4.22Å
559L97.5Very high92.6Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-66.2-29179-74.7171.9000113.6M464 I488 V492 L503 M507 V555 V556 E557 H563 I566 F567M464-L559 HydrophobicContact CE-CD1 3.66Å; M464-L559 HydrophobicContact SD-CD1 3.87Å; I488-L559 HydrophobicContact CG2-CD2 3.73Å; I488-L559 HydrophobicContact CG2-CG 4.14Å; V492-L559 HydrophobicContact CG2-CD2 3.6Å; L503-L559 HydrophobicContact CD2-CD1 4.27Å; M507-L559 HydrophobicContact CG-CB 4.01Å; M507-L559 HydrophobicContact SD-CB 3.53Å; M507-L559 VanDerWaalsContact SD-CB 3.53Å; M507-L559 HydrophobicContact SD-CD1 4.44Å; V555-L559 HydrophobicContact CG1-CD1 3.96Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CB 3.29Å; V555-L559 WeakPolarHBondContact O-CG 3.36Å; V555-L559 PolarHBondContact O-N 3.27Å; V556-L559 PolarHBondContact O-N 3.07Å; E557-L559 PolarHBondContact O-N 3.42Å; L559-H563 WeakPolarHBondContact O-CB 3.32Å; L559-I566 HydrophobicContact CD2-CD1 4.11Å; L559-I566 HydrophobicContact CD2-CG2 4.01Å; L559-F567 HydrophobicContact CD2-CE2 4.26Å; L559-F567 HydrophobicContact CD2-CZ 4.28Å
560I97.2Very high92.4Very high2 Ų237.3 Ų37.31%0.0120%0.198CC..Hα-helixtrans-77.4-48.1174.8-69.2167.6000110M507 L510 A514 V524 L527 V556 E557 I558 H563M507-I560 HydrophobicContact SD-CG1 3.77Å; L510-I560 HydrophobicContact CB-CD1 3.85Å; L510-I560 HydrophobicContact CB-CG1 3.94Å; L510-I560 HydrophobicContact CD1-CD1 3.97Å; L510-I560 HydrophobicContact CD1-CG1 4.41Å; A514-I560 HydrophobicContact CB-CG2 4.49Å; V524-I560 HydrophobicContact CG1-CB 4.1Å; V524-I560 HydrophobicContact CG1-CG2 4.1Å; V524-I560 HydrophobicContact CG2-CG2 4.06Å; L527-I560 HydrophobicContact CB-CD1 3.96Å; V556-I560 HydrophobicContact CG1-CD1 3.82Å; V556-I560 HydrophobicContact CG1-CG1 4.35Å; V556-I560 VanDerWaalsContact O-CG1 3.25Å; V556-I560 WeakPolarHBondContact O-CG1 3.36Å; V556-I560 PolarHBondContact O-N 2.94Å; E557-I560 PolarHBondContact O-N 3.27Å; I558-I560 VanDerWaalsContact C-N 3.3Å; I558-I560 PolarHBondContact O-N 2.83Å; I560-H563 PolarHBondContact O-CD2 3.19Å; I560-H563 VanDerWaalsContact O-CD2 3.29Å
561E95.1Very high92.1Very high116 Ų11638 Ų3854%0.54221%0.205SC..Hα-helixtrans-64.2-44.2-178.8-76.4164.4-173.700112.9V524 E557 I558V524-E561 HydrophobicContact CG1-CG 4.04Å; V524-E561 HydrophobicContact CG2-CG 4.21Å; E557-E561 PolarHBondContact O-N 3.09Å; I558-E561 PolarHBondContact O-N 3.41Å
562H94.8Very high90.8Very high54 Ų5445.4 Ų45.425%0.2525%0.245CC..THydrogen-bonded Turntrans-101.120.5-170.8-5878.9000112.4V485 I558 E564 R565 I566V485-H562 HydrophobicContact CG1-CB 4.28Å; I558-H562 WeakPolarHBondContact O-CB 3.24Å; I558-H562 PolarHBondContact O-N 2.9Å; I558-H562 PolarHBondContact O-ND1 3.33Å; H562-E564 VanDerWaalsContact C-N 3.27Å; H562-E564 PolarHBondContact O-N 3.25Å; H562-E564 VanDerWaalsContact O-N 3.16Å; H562-R565 PolarHBondContact O-N 3.04Å; H562-I566 HydrophobicContact CB-CD1 3.7Å; H562-I566 HydrophobicContact CB-CG1 3.99Å; H562-I566 WeakPolarHBondContact O-CB 3.25Å; H562-I566 WeakPolarHBondContact O-CG1 3.43Å; H562-I566 PolarHBondContact O-N 3.32Å
563H94.4Very high88.7Confident24 Ų2451 Ų5111%0.11128%0.284CS..Hα-helixtrans-59.1-32.9-16980.380.8000113.8M507 S511 L559 I560 F567M507-H563 HydrophobicContact CB-CB 4.18Å; S511-H563 WeakPolarHBondContact CB-CD2 3.5Å; S511-H563 WeakPolarHBondContact CB-NE2 3.15Å; S511-H563 PolarHBondContact OG-CD2 3.38Å; S511-H563 VanDerWaalsContact OG-CD2 3.24Å; S511-H563 PolarHBondContact OG-NE2 3.1Å; L559-H563 WeakPolarHBondContact O-CB 3.32Å; I560-H563 PolarHBondContact O-CD2 3.19Å; I560-H563 VanDerWaalsContact O-CD2 3.29Å; H563-F567 HydrophobicContact CB-CD2 4.34Å; H563-F567 WeakPolarHBondContact O-CB 3.43Å; H563-F567 WeakPolarHBondContact O-CD2 3.47Å; H563-F567 PolarHBondContact O-N 2.72Å; H563-F567 VanDerWaalsContact O-N 3.12Å
564E92.4Very high86.4Confident150 Ų15058.3 Ų58.370%0.70133%0.328SS*.Hα-helixtrans-69.2-48179.2-58.4-160.2140.200111.7H562 G568H562-E564 VanDerWaalsContact C-N 3.27Å; H562-E564 PolarHBondContact O-N 3.25Å; H562-E564 VanDerWaalsContact O-N 3.16Å; E564-G568 WeakPolarHBondContact O-CA 3.4Å; E564-G568 PolarHBondContact O-N 3.39Å
565R92.6Very high83.9Confident81 Ų8160.3 Ų60.331%0.30635%0.352SS..Hα-helixtrans-63.3-47174.8175177.7167.6-174.5-4.4112E482 H489 H562 D569E482-R565 VanDerWaalsContact CD-NH1 3.3Å; E482-R565 IonicContact OE1-CZ 3.75Å; E482-R565 IonicContact OE1-NH1 3.58Å; E482-R565 PolarHBondContact OE1-NH1 2.93Å; E482-R565 IonicContact OE2-CZ 2.72Å; E482-R565 VanDerWaalsContact OE2-CZ 3.25Å; E482-R565 IonicContact OE2-NH1 2.75Å; E482-R565 PolarHBondContact OE2-NH1 3.02Å; E482-R565 IonicContact OE2-NH2 3.46Å; E482-R565 PolarHBondContact OE2-NH2 2.83Å; H489-R565 PolarHBondContact NE2-O 2.95Å; H562-R565 PolarHBondContact O-N 3.04Å; R565-D569 PolarHBondContact O-N 3.33Å
566I94.2Very high81Confident0 Ų068.1 Ų68.10%039%0.394CS..Hα-helixtrans-69.2-37.4-173.3-70.9177.8000112.3I488 H489 V492 H493 I558 L559 H562I488-I566 HydrophobicContact CG2-CD1 4.23Å; H489-I566 HydrophobicContact CB-CG1 4.26Å; H489-I566 PolarHBondContact CD2-O 3.18Å; H489-I566 PolarHBondContact NE2-O 2.69Å; V492-I566 HydrophobicContact CB-CG2 4.07Å; V492-I566 HydrophobicContact CG1-CG2 4.03Å; V492-I566 HydrophobicContact CG2-CG2 3.92Å; H493-I566 PolarHBondContact CE1-O 3.01Å; I558-I566 HydrophobicContact CG2-CD1 4.22Å; L559-I566 HydrophobicContact CD2-CD1 4.11Å; L559-I566 HydrophobicContact CD2-CG2 4.01Å; H562-I566 HydrophobicContact CB-CD1 3.7Å; H562-I566 HydrophobicContact CB-CG1 3.99Å; H562-I566 WeakPolarHBondContact O-CB 3.25Å; H562-I566 WeakPolarHBondContact O-CG1 3.43Å; H562-I566 PolarHBondContact O-N 3.32Å
567F92.1Very high77.8Confident15 Ų1574.2 Ų74.27%0.06644%0.437CS..Hα-helixtrans-101.1-26.8-176.9-65.8-84.3000114V492 L503 E504 M507 L559 H563V492-F567 HydrophobicContact CG1-CD1 3.96Å; V492-F567 HydrophobicContact CG1-CE1 3.43Å; V492-F567 VanDerWaalsContact CG1-CE1 3.43Å; V492-F567 HydrophobicContact CG1-CZ 3.87Å; L503-F567 HydrophobicContact CB-CE1 4.3Å; L503-F567 HydrophobicContact CB-CZ 4.31Å; L503-F567 HydrophobicContact CD2-CE1 4.25Å; L503-F567 HydrophobicContact CD2-CZ 3.84Å; L503-F567 HydrophobicContact CG-CE1 4.27Å; L503-F567 HydrophobicContact CG-CZ 3.81Å; E504-F567 HydrophobicContact CB-CB 4.35Å; E504-F567 HydrophobicContact CB-CD1 3.51Å; E504-F567 HydrophobicContact CB-CE1 3.92Å; E504-F567 HydrophobicContact CB-CG 3.92Å; E504-F567 HydrophobicContact CG-CB 3.77Å; E504-F567 HydrophobicContact CG-CD1 3.93Å; E504-F567 HydrophobicContact CG-CG 3.84Å; M507-F567 HydrophobicContact CB-CE2 4.11Å; M507-F567 HydrophobicContact CG-CE2 3.94Å; M507-F567 HydrophobicContact CG-CZ 4.19Å; L559-F567 HydrophobicContact CD2-CE2 4.26Å; L559-F567 HydrophobicContact CD2-CZ 4.28Å; H563-F567 HydrophobicContact CB-CD2 4.34Å; H563-F567 WeakPolarHBondContact O-CB 3.43Å; H563-F567 WeakPolarHBondContact O-CD2 3.47Å; H563-F567 PolarHBondContact O-N 2.72Å; H563-F567 VanDerWaalsContact O-N 3.12Å
568G81.3Confident74.9Confident63 Ų6379.7 Ų79.765%0.64947%0.471SS*.Hα-helixtrans-79.1-43.117900000114.2E564E564-G568 WeakPolarHBondContact O-CA 3.4Å; E564-G568 PolarHBondContact O-N 3.39Å
569D82.7Confident71.8Confident98 Ų9886.8 Ų86.852%0.52451%0.51SS..SBendtrans-91.5156.3-177-67.2-44.5000112.8H489 H493 R565H489-D569 PolarHBondContact NE2-O 3.25Å; H493-D569 PolarHBondContact NE2-O 2.64Å; R565-D569 PolarHBondContact O-N 3.33Å
570V81.7Confident68.8Low115 Ų11593.7 Ų93.770%0.69754%0.544SS*.PPolyproline II helixtrans-93.9132169.6-176.60000109.1N572V570-N572 PolarHBondContact O-N 3.44Å
571P80.5Confident65.5Low35 Ų35102.7 Ų102.723%0.22759%0.586CS.*PPolyproline II helixtrans-54.5131175.6-26.933000112.7H493 S573H493-P571 HydrophobicContact CB-CG 4.39Å; H493-P571 WeakPolarHBondContact CD2-CD 3.46Å; P571-S573 PolarHBondContact O-N 2.63Å
572N64.5Low62.5Low158 Ų158102.4 Ų102.485%0.84559%0.587SS**  trans-66.897.6176.6-76.4-45.9000110.6V570 T574V570-N572 PolarHBondContact O-N 3.44Å; N572-T574 PolarHBondContact O-N 3.41Å; N572-T574 PolarHBondContact O-OG1 2.92Å
573S47.8Very low59.3Low117 Ų117107.4 Ų107.482%0.81862%0.616SS**  trans-66.498.3-173-169.30000112.5P571 G575P571-S573 PolarHBondContact O-N 2.63Å; S573-G575 PolarHBondContact O-N 3.03Å
574T47.1Very low56.2Low153 Ų153112 Ų11294%0.93964%0.637SS**  trans-87.580.3176.48.50000110.1N572N572-T574 PolarHBondContact O-N 3.41Å; N572-T574 PolarHBondContact O-OG1 2.92Å
575G40Very low53.1Low54 Ų54111 Ų11156%0.55765%0.647SS**  trans-158.595.9-178.400000114.7S573S573-G575 PolarHBondContact O-N 3.03Å
576N34.8Very low50.1Low164 Ų164117.4 Ų117.488%0.87767%0.671SS**  trans58100.5162-59.9-15.8000118.9
577S29.9Very low47Very low129 Ų129129.1 Ų129.190%0.90272%0.716SS**  trans-156.9124.2135.6-85.90000111.5
578T36Very low43.9Very low134 Ų134139.8 Ų139.882%0.82276%0.755SS**  trans-102.6107.7176.750.30000110.8
579N31.8Very low41.3Very low161 Ų161141.5 Ų141.586%0.86176%0.757SS**  -168.4162.6122.8-115.2-36.7000114.8
580M33.5Very low38.8Very low145 Ų145143.7 Ų143.771%0.71477%0.774SS**  trans-68145.6-176.5-53.8-13374.900113.8L582M580-L582 HydrophobicContact CB-CD1 4.49Å; M580-L582 HydrophobicContact CE-CD1 3.54Å; M580-L582 HydrophobicContact CE-CG 4.47Å; M580-L582 HydrophobicContact SD-CD1 3.76Å
581Q28.8Very low36.2Very low191 Ų191147.7 Ų147.789%0.89379%0.786SS**  -141.9132.5121.6-158.6161.92.300109.6
582L31.9Very low33.6Very low110 Ų110149.9 Ų149.958%0.57681%0.814SS**  trans-85.7145173.7-73.576.2000109.4M580M580-L582 HydrophobicContact CB-CD1 4.49Å; M580-L582 HydrophobicContact CE-CD1 3.54Å; M580-L582 HydrophobicContact CE-CG 4.47Å; M580-L582 HydrophobicContact SD-CD1 3.76Å
583D26.9Very low31.9Very low158 Ų158152.6 Ų152.685%0.84582%0.818SS**  -142.3167.4117.6-144.7-21000111.1
584Q30.1Very low30.9Very low120 Ų120151.2 Ų151.256%0.56182%0.815SS**  trans-107.6142.6-157.8-56.8-177.826.900114.4
585S27.9Very low30Very low131 Ų131150.3 Ų150.392%0.91681%0.811SS**  trans-147.3108.7149-82.40000110
586R28.1Very low29.3Very low215 Ų215153.2 Ų153.281%0.81182%0.823SS**  trans-76.8141.5-172.9-66.9170.5171.6167.9-5.6112.6
587R28.5Very low29.1Very low246 Ų246151.1 Ų151.193%0.92882%0.82SS**  -155.1143.1126.6-104.6162.3-160.2-148.43.7110.4
588R27.6Very low29.1Very low238 Ų238150.5 Ų150.590%0.89882%0.816SS**  trans-71.7140174.8-70.4174.3172.9164-5.7108.9
589S27.1Very low28.6Very low99 Ų99151.2 Ų151.269%0.69281%0.81SS**  cis85.897.229.483.60000115.5
590T29.6Very low28.4Very low144 Ų144153.6 Ų153.688%0.88381%0.806SS**  trans-162.9142.4140.421.30000111.3
591E28.5Very low28.2Very low200 Ų200151.9 Ų151.994%0.93581%0.806SS**  trans-26.4150.4178.5-60165.9134.300121
592G25.4Very low28.2Very low80 Ų80150.7 Ų150.783%0.82581%0.805SS**  trans-151.3152.2168.700000111.6
593K28.6Very low27.9Very low215 Ų215150.7 Ų150.794%0.93581%0.809SS**PPolyproline II helixtrans-92.1170.9-171.3-82.4179.4174.5176.70114.2
594A25.9Very low27.9Very low89 Ų89150.1 Ų150.174%0.73681%0.806SS**PPolyproline II helixtrans-52.6152.6174.200000113.7S596A594-S596 PolarHBondContact O-N 2.94Å
595P28.6Very low27.7Very low134 Ų134153.4 Ų153.487%0.8782%0.819SS**PPolyproline II helixtrans-71116.3-174.628.4-34.7000112.2
596S26.3Very low27.6Very low115 Ų115155 Ų15580%0.80481%0.811SS**PPolyproline II helixtrans-94.3132.6159.2-171.90000108.2A594 S598A594-S596 PolarHBondContact O-N 2.94Å; S596-S598 PolarHBondContact O-N 3.36Å; S596-S598 VanDerWaalsContact O-N 3.12Å
597C29.3Very low27.4Very low120 Ų120151.1 Ų151.181%0.81181%0.812SS**  trans-69.1110176.6-70.70000110.9
598S29.8Very low27.4Very low116 Ų116145.2 Ų145.281%0.81181%0.805SS**  trans32.3107.2150.855.70000118.8S596S596-S598 PolarHBondContact O-N 3.36Å; S596-S598 VanDerWaalsContact O-N 3.12Å
599E25.2Very low27.3Very low149 Ų149140.1 Ų140.170%0.69680%0.801SS**  trans-112.3152.1159.7-154.4-167.6-117.100109.3
600R28Very low27.3Very low211 Ų211144.2 Ų144.280%0.79681%0.809SS**  trans82.2155.5165.3-63.4-178.1-155.9-143.4-8.5118.3
601P29.6Very low27.1Very low109 Ų109142.6 Ų142.671%0.70880%0.803SS**  cis-118.415010.739.4-27.4000117.7
602L28.3Very low27.1Very low166 Ų166142.2 Ų142.287%0.86980%0.801SS**  trans-67.1129.2161.4-68161.3000110
603T27.3Very low27.1Very low109 Ų109145.3 Ų145.367%0.66980%0.804SS**  trans-95.8100.4177.238.80000111.8F605T603-F605 PolarHBondContact O-N 2.83Å
604L26.1Very low27Very low147 Ų147138.6 Ų138.677%0.7780%0.796SS**  trans-67114.9162.7-101.672.8000109.6H606L604-H606 PolarHBondContact O-N 2.84Å
605F25.1Very low27.1Very low189 Ų189144 Ų14483%0.82981%0.806SS**  trans-85.389.9165.1-79.4-79.7000110.6T603T603-F605 PolarHBondContact O-N 2.83Å
606H26.6Very low27.1Very low163 Ų163147.2 Ų147.276%0.75581%0.806SS**PPolyproline II helixtrans-94.4127157.2-95.6-107.7000109.5L604 P608L604-H606 PolarHBondContact O-N 2.84Å; H606-P608 WeakPolarHBondContact O-CD 3.49Å
607T24.6Very low27.1Very low134 Ų134151.9 Ų151.982%0.82281%0.807SS**PPolyproline II helixtrans-75127.2178.948.30000112.2
608P27.3Very low27.1Very low122 Ų122152.4 Ų152.479%0.79280%0.801SS**PPolyproline II helixtrans-91.4128.7165.92.317.6000111H606H606-P608 WeakPolarHBondContact O-CD 3.49Å
609T25.9Very low27Very low132 Ų132151.3 Ų151.381%0.8179%0.793SS**PPolyproline II helixtrans-70.7140.4175.2-49.20000111.5S611T609-S611 PolarHBondContact O-N 3.12Å
610H26.5Very low27.2Very low185 Ų185150.9 Ų150.986%0.85680%0.801SS**PPolyproline II helixtrans-71.4118.3174.5-119.6-83.9000111.6
611S25.2Very low27.1Very low109 Ų109144 Ų14476%0.76280%0.795SS**  trans-145.4131.8163.359.60000110T609T609-S611 PolarHBondContact O-N 3.12Å
612Q28.5Very low27Very low192 Ų192146.6 Ų146.690%0.89780%0.803SS**  trans-80.5147.3-166-61.81753.400113.2
613T27.4Very low27.1Very low146 Ų146145 Ų14590%0.89680%0.8SS**  trans-85.4130.8174.449.30000112
614G25.5Very low27.9Very low74 Ų74145.7 Ų145.776%0.76381%0.807SS**  trans-132.784.2179.400000114.2
615E27.3Very low28Very low202 Ų202142.9 Ų142.994%0.94481%0.805SS**  trans51.1-169.8156.8-56.7-148.3102.400119.9
616K28.7Very low28.1Very low201 Ų201137.9 Ų137.987%0.87480%0.799SS**  trans-124.2153.1-157.8-60.5169.5179.3165.90112.9
617R27.3Very low28.2Very low214 Ų214137.3 Ų137.381%0.80880%0.801SS**  122.6140.5115.8-148.9-162.7173.9154.62.5116.5
618N28.1Very low28.3Very low130 Ų130136.2 Ų136.270%0.69579%0.794SS**  trans68.2152.3161.9-69.9-7.5000117.2
619S28.3Very low28.4Very low93 Ų93137.9 Ų137.965%0.6579%0.792SS**  cis-176.1163.1-22.452.10000110.7
620V29.2Very low28.4Very low140 Ų140139.4 Ų139.485%0.84879%0.789SS**  trans75.7135.4170.6-168.60000115
621G26.5Very low29.4Very low66 Ų66135.3 Ų135.368%0.6878%0.779SS**  cis172.1-168.4-6.600000114.9
622N28.4Very low29.6Very low165 Ų165136.7 Ų136.788%0.88278%0.783SS**  trans80.695.9167.6-59.30.4000120.2
623T28.8Very low29.7Very low131 Ų131132.5 Ų132.580%0.80477%0.774SS**  trans-82.9161.9142.1-13.30000109
624P44.3Very low29.8Very low124 Ų124130 Ų13081%0.80576%0.763SS**  -145.4-169.879.727.1-3.6000113.3
625A28.9Very low30Very low89 Ų89131.8 Ų131.874%0.73676%0.764SS**  cis-175.1175.4-42.400000109.1
626A27.2Very low30.2Very low84 Ų84128 Ų12869%0.69476%0.755SS**  trans71.1139.8-177.400000115.6
627D27.9Very low30.3Very low150 Ų150125.5 Ų125.580%0.80275%0.751SS**  cis79.8139.733.6-60.8-55.6000113.6
628T27.8Very low30.3Very low111 Ų111119.4 Ų119.468%0.68174%0.74SS**  cis-156140.220.1-18.90000114.2
629Q27.9Very low30.3Very low157 Ų157119.9 Ų119.973%0.73474%0.743SS**  trans49.1133.1141.1-76.4170.921.700126.9
630H27.5Very low30.4Very low164 Ų164120.3 Ų120.376%0.75975%0.745SS**  trans74162.5133.7-76.5-42.4000123.1
631P46.4Very low30.4Very low99 Ų99119.8 Ų119.864%0.64375%0.748SS**  cis-140.1167.4-24.834.2-14.8000117.6
632V30.2Very low30.7Very low139 Ų139122.3 Ų122.384%0.84276%0.755SS**  trans58.3174.6160.5-63.50000118
633S29.8Very low30.7Very low103 Ų103120.4 Ų120.472%0.7276%0.755SS**  cis-162.4172.6-4.4-123.70000108.2
634S30.4Very low30.7Very low93 Ų93119.8 Ų119.865%0.6576%0.756SS**  cis-176.8155.2-20.246.10000111
635S29.7Very low30Very low113 Ų113119.2 Ų119.279%0.7976%0.755SS**  trans67.3154.1170.669.90000117.1
636T30.7Very low30.2Very low123 Ų123119.8 Ų119.876%0.75575%0.754SS**  cis-151.7154.827.1-51.20000114.6
637N30.9Very low30.5Very low148 Ų148121.5 Ų121.579%0.79176%0.76SS**  trans-29.9175.6161.9-73.52.6000120.9
638C27.3Very low30.6Very low86 Ų86120.1 Ų120.158%0.58176%0.763SS**  cis-179.2176.6-32.571.60000110.2
639N29.2Very low30.9Very low140 Ų140122 Ų12275%0.74977%0.774SS**  trans65.6141.1166.9-63-7.4000117.8
640S29.6Very low30.8Very low101 Ų101118.5 Ų118.571%0.70678%0.78SS**  cis95121.717.786.90000116.9
641S28.5Very low31Very low130 Ų130115.7 Ų115.791%0.90978%0.779SS**  trans177.815314741.40000111
642S32.5Very low30.2Very low118 Ų118118.9 Ų118.983%0.82579%0.785SS**  trans-113.6158.6171.151.90000110
643S28.5Very low30.2Very low126 Ų126119.2 Ų119.288%0.88178%0.782SS**  trans-156.5164.2167.454.40000111.6
644S30.6Very low30.1Very low117 Ų117123.4 Ų123.482%0.81879%0.787SS**  trans-148.2140.7-163.352.70000113.5
645S29.4Very low30.1Very low112 Ų112125.1 Ų125.178%0.78379%0.794SS**  trans-175136.1169.545.50000107.7
646S31.3Very low30.7Very low102 Ų102124.6 Ų124.671%0.71379%0.788SS**  cis122.897.113.764.40000110
647S34.5Very low30.7Very low119 Ų119129 Ų12983%0.83279%0.791SS**  trans40.7127.3148.660.10000121.8
648S30.5Very low30.6Very low122 Ų122130 Ų13085%0.85379%0.79SS**  trans-146.3163.2148.357.80000111.2
649T32.5Very low30.7Very low150 Ų150129.5 Ų129.592%0.9279%0.788SS**  trans-127.9149.7-174.347.60000111.1
650G27.1Very low30.7Very low83 Ų83130.6 Ų130.686%0.85679%0.793SS**  trans-163.6106-172.700000115.9
651S31.1Very low30.7Very low106 Ų106131.7 Ų131.774%0.74180%0.796SS**  trans-60.9152.6-172.3-168.20000119.3
652H30.9Very low30.7Very low166 Ų166129.2 Ų129.277%0.76978%0.778SS**  trans8.9141.8154-58.1-61.5000122.6
653N28.4Very low30.6Very low146 Ų146129.7 Ų129.778%0.78177%0.772SS**  -173.6161.3103.6-110.8-68.2000119
654K28Very low30.8Very low190 Ų190130.9 Ų130.983%0.82677%0.768SS**  trans72.2114.7152.7-74.9171.9-178.3177.30123.3
655T30Very low30.8Very low130 Ų130128.5 Ų128.580%0.79876%0.762SS**  trans-80.7-171146.452.80000109.4
656P43.1Very low30.8Very low102 Ų102131.2 Ų131.266%0.66276%0.763SS**  cis-156.2177.425.446.9-24.8000122
657R31.1Very low30.9Very low215 Ų215134 Ų13481%0.81176%0.764SS**  trans65.9156.9154.2-76.3170.7176.4171.2-1.6117.5
658H29.4Very low30.7Very low168 Ų168135.9 Ų135.978%0.77877%0.765SS**  cis-138176.621.7-87.7-95000112.2
659S28.8Very low30.5Very low76 Ų76133.4 Ų133.453%0.53176%0.759SS.*  178125.9-51.356.80000112.3
660L28.9Very low30.4Very low163 Ų163137.2 Ų137.285%0.85376%0.756SS**  trans61.7159.1150.1-57.7167.7000119.3
661T29.4Very low30.5Very low125 Ų125141.8 Ų141.877%0.76775%0.752SS**  cis-108.3179-0.250.20000111.6
662S29.3Very low30.4Very low78 Ų78144 Ų14455%0.54576%0.755SS.*  cis93.6147.16.988.50000120.2
663N29.7Very low30.4Very low128 Ų128147.7 Ų147.768%0.68476%0.762SS**  trans77.2147.2171.6-55.878000119
664D33.7Very low30.8Very low150 Ų150146.6 Ų146.680%0.80276%0.763SS**  cis-173.6167.5-32.9-102.3-35.9000110.2
665G29.8Very low30.8Very low68 Ų68143 Ų14370%0.70176%0.761SS**  trans117.991.8150.100000121.4
666E30.1Very low30.6Very low169 Ų169141.9 Ų141.979%0.7976%0.759SS**  trans35.3142.3132.7-66-154.888.300127.9
667Q31.8Very low29.9Very low160 Ų160144.9 Ų144.975%0.74877%0.769SS**  trans85.3118.7135.8-79.9178.447.400125.6
668D30.9Very low29.8Very low159 Ų159143.1 Ų143.185%0.8577%0.774SS**  trans63.2162.5140.5-140-17000121.6
669G27.2Very low29.8Very low70 Ų70142 Ų14272%0.72277%0.774SS**  trans150.318.5170.500000122.5K671G669-K671 PolarHBondContact O-N 3Å
670R29.3Very low30.4Very low229 Ų229143.4 Ų143.486%0.86478%0.781SS**  trans-11.8115.5164.4-176-165.8-166.1-179.37.2119.1
671K29.5Very low30.4Very low179 Ų179145 Ų14578%0.77878%0.781SS**  trans172128.8130.9-98166.7-174.5177.20118.3G669G669-K671 PolarHBondContact O-N 3Å
672I29.3Very low30.3Very low153 Ų153144.4 Ų144.479%0.78578%0.782SS**  36.8128.9128.2-51.3172.9000120.4
673R30.5Very low30.2Very low244 Ų244152.6 Ų152.692%0.92180%0.801SS**  trans-131.5136.6160.6-154.7175.4-165.8-175.94.8110.3
674P37.3Very low30Very low123 Ų123150.1 Ų150.180%0.79981%0.806SS**  trans-94174.2-167.437-37.9000115.3
675S28.1Very low29.6Very low114 Ų114148.8 Ų148.880%0.79781%0.808SS**  trans-125.8134.3-175.257.60000114.1
676S25.8Very low29.6Very low107 Ų107153.1 Ų153.175%0.74881%0.814SS**  trans-164.1114.4158.552.10000108.1
677L28.5Very low29.8Very low165 Ų165150.8 Ų150.886%0.86481%0.813SS**  59.5113.677.1-69174.7000113.9
678L28.2Very low29.6Very low178 Ų178149.5 Ų149.593%0.93282%0.816SS**  -173.9144.5127.6-100.6163.1000111.6
679N30.5Very low29.5Very low145 Ų145147.4 Ų147.478%0.77581%0.814SS**  trans-157.7135.4174.5176.24000107.5
680P40.4Very low29.4Very low105 Ų105147.6 Ų147.668%0.68281%0.809SS**  trans-148.8135.9134.733.8-15.8000117.3
681K28.9Very low29.3Very low197 Ų197144 Ų14486%0.85781%0.806SS**  38.9130.3127.8-52.5174.5-178.4177.30120.4
682S27.8Very low29.1Very low111 Ų111140.6 Ų140.678%0.77680%0.804SS**  164.8109106.6-1770000117.5
683R27.3Very low29.3Very low250 Ų250138.4 Ų138.494%0.94380%0.8SS**  49.5124.8124.8-142.8-179.9-159.6178.14.3123
684G24.6Very low29.1Very low76 Ų76132.1 Ų132.178%0.78479%0.793SS**  trans96.6153.3158.700000115.8
685S26.9Very low28.8Very low122 Ų122131.6 Ų131.685%0.85379%0.79SS**  cis-163.2165-9.344.60000110.8
686I28.3Very low28.7Very low160 Ų160132.3 Ų132.382%0.82179%0.789SS**  trans-91.1148.9-173-57.9162.2000112.5
687P36.1Very low28.7Very low120 Ų120132.8 Ų132.878%0.77979%0.793SS**  -129.4165.1125.84.517.8000115.5
688T26.5Very low28.7Very low132 Ų132131.1 Ų131.181%0.8179%0.792SS**  trans-72166.3171.840.70000112.9
689S28Very low28.8Very low115 Ų115134.2 Ų134.280%0.80479%0.791SS**  cis-152.4-154.7-039.90000108.5
690A25.8Very low28.6Very low75 Ų75132.8 Ų132.862%0.6279%0.792SS**  cis-165170.19.700000113.4
691I27.3Very low28.1Very low154 Ų154133.7 Ų133.779%0.7980%0.798SS**  trans45.595.2146.5-62.5164.8000118.1
692S26.2Very low28Very low106 Ų106129.6 Ų129.674%0.74179%0.794SS**  109.2171.686.6-64.10000112.3
693P33.5Very low27.9Very low107 Ų107135.9 Ų135.970%0.69580%0.801SS**  -135.1169.6-81.339.3-21.5000117.4
694S24.5Very low28.1Very low112 Ų112129.1 Ų129.178%0.78379%0.79SS**  trans69.1162.2158260000120
695P31.7Very low28.2Very low112 Ų112134 Ų13473%0.72779%0.794SS**  cis-128.8157.1-8.736.9-20.2000116.9
696T26.3Very low28.3Very low129 Ų129137.9 Ų137.979%0.79180%0.796SS**  trans12.2133.7153.556.50000123.3
697S25.1Very low28.3Very low117 Ų117135.5 Ų135.582%0.81879%0.794SS**  -149.9129.3129.8-78.40000110
698P29.4Very low27.8Very low130 Ų130134.4 Ų134.484%0.84480%0.795SS**PPolyproline II helixtrans-72.7140.3-178.1-15.930.5000112.7
699R29.9Very low28Very low244 Ų244134.1 Ų134.192%0.92180%0.795SS**PPolyproline II helixtrans-89.1145.2158.8-78.9-173.3170.3-136.1-2109.6
700S26.5Very low27.9Very low114 Ų114134.2 Ų134.280%0.79780%0.796SS**PPolyproline II helixtrans-59.3145.1178.3-46.60000112.1
701P28.8Very low27.9Very low124 Ų124136.2 Ų136.281%0.80581%0.805SS**PPolyproline II helixtrans-68.4140.9176.529-34.6000111.5
702S27.9Very low28.1Very low111 Ų111134.9 Ų134.978%0.77681%0.807SS**PPolyproline II helixtrans-98.8130.2172.153.20000110.6
703W25.6Very low28.1Very low243 Ų243138.6 Ų138.692%0.9281%0.812SS**PPolyproline II helixtrans-63.6130.2179.4-69.481.8000112.1
704P31.5Very low28Very low108 Ų108139.5 Ų139.570%0.70182%0.818SS**PPolyproline II helixtrans-67.7133.2174.4-20.333.3000112.4
705M26.7Very low28Very low178 Ų178142.4 Ų142.488%0.87782%0.823SS**  trans-89.8116173.4-169.8-174.3-58.500109S707M705-S707 PolarHBondContact O-N 2.8Å
706F28.6Very low27.7Very low204 Ų204141.8 Ų141.890%0.89582%0.821SS**  trans-70125.9-178.3-71.9-80.2000111.9
707S27.7Very low27.8Very low110 Ų110141 Ų14177%0.76982%0.821SS**  trans-134126.1167.6-70.70000108.4M705M705-S707 PolarHBondContact O-N 2.8Å
708A27Very low27.9Very low97 Ų97140.2 Ų140.280%0.80282%0.821SS**PPolyproline II helixtrans-91.2135.7-171.900000112.5
709P29.7Very low27.9Very low127 Ų127139.5 Ų139.583%0.82582%0.82SS**PPolyproline II helixtrans-73.2148164.4-12.328.7000111.5
710S26.1Very low28Very low117 Ų117133.8 Ų133.882%0.81882%0.817SS**PPolyproline II helixtrans-84.3151.3178.9-48.70000113
711S26.7Very low27.9Very low117 Ų117136.2 Ų136.282%0.81882%0.821SS**PPolyproline II helixtrans-71139.6-178.7-46.90000114.1
712P31.3Very low28.1Very low125 Ų125135 Ų13581%0.81282%0.816SS**PPolyproline II helixtrans-81.9161.3158-9.928.1000112.5
713Q26.2Very low28.1Very low184 Ų184135.3 Ų135.386%0.8682%0.818SS**PPolyproline II helixtrans-87.8160.6174.7-84.6-172.8-20.900113.2
714P30.6Very low28.8Very low126 Ų126129.9 Ų129.982%0.81881%0.814SS**PPolyproline II helixtrans-79.6152.8-177.432.8-36.6000113.9
715I24.5Very low28.7Very low174 Ų174131 Ų13189%0.89282%0.818SS**  trans-124.1148.6168-57.5177.7000108.1
716S26.7Very low29.1Very low98 Ų98127.6 Ų127.669%0.68581%0.812SS**  trans-113.3142.7-161.855.60000116.2
717S27.8Very low29.6Very low114 Ų114125.3 Ų125.380%0.79781%0.808SS**  trans75.8154.8144.371.50000121.1
718A27.6Very low30.4Very low99 Ų99126 Ų12682%0.81881%0.807SS**  trans69.2139.5178.700000116.3
719S28Very low31.9Very low116 Ų116122.8 Ų122.881%0.81178%0.784SS**  cis-152.6160-8.349.20000111.1
720S32.5Very low34.5Very low123 Ų123124.7 Ų124.786%0.8678%0.775SS**  trans-70.5141.9174.7-420000112.7
721D25.5Very low37.7Very low165 Ų165123.2 Ų123.288%0.88275%0.753SS**  -155.6162.4129.2-148-19.8000110.1
722S32Very low40.8Very low99 Ų99117.6 Ų117.669%0.69271%0.714SS**  trans-144.1108.6-17159.90000114.2
723S27.5Very low43.8Very low117 Ų117116.4 Ų116.482%0.81869%0.694SS**  trans-161.1154.5157.1-87.70000110.7
724P40.6Very low47.1Very low130 Ų130107.8 Ų107.884%0.84465%0.654SS**  trans-81.6133.6-159.830.6-35.5000113.8
725V29Very low49.8Very low130 Ų130105.5 Ų105.579%0.78863%0.634SS**  trans-117.7138166.3179.60000108.5I727V725-I727 PolarHBondContact O-N 2.91Å
726S35.9Very low52.8Low107 Ų107103.8 Ų103.875%0.74862%0.618SS**  trans-55.3125.4-180-1730000111.4T728S726-T728 PolarHBondContact O-N 2.89Å
727I38.2Very low55.8Low157 Ų157102.1 Ų102.181%0.80561%0.61SS**  trans-74.796.7174.8-57.9176.9000108V725 G729V725-I727 PolarHBondContact O-N 2.91Å; I727-G729 PolarHBondContact O-N 3.47Å; I727-G729 VanDerWaalsContact O-N 3.1Å
728T45.3Very low58.7Low124 Ų12497.8 Ų97.876%0.76158%0.579SS**  trans-61.6109.4160.748.40000108.1S726 R730S726-T728 PolarHBondContact O-N 2.89Å; T728-R730 PolarHBondContact O-N 3.12Å
729G59.2Low61.7Low30 Ų30101.3 Ų101.331%0.30958%0.576SS.*  trans-54.9122.9-177.700000111.2I727I727-G729 PolarHBondContact O-N 3.47Å; I727-G729 VanDerWaalsContact O-N 3.1Å
730R83.7Confident64.4Low166 Ų16697 Ų9763%0.62655%0.548SS*.  trans-60.6148.9176.1-59.6177177.6176.7-0.9109.1T728 N756 V757T728-R730 PolarHBondContact O-N 3.12Å; R730-N756 PolarHBondContact O-N 2.93Å; R730-V757 WeakPolarHBondContact CB-O 3.48Å; R730-V757 PolarHBondContact O-N 3.32Å
731K92.3Very high66.2Low86 Ų8699.4 Ų99.437%0.37455%0.545SS..  trans-109.2157.6171.1-59.1-162.8-175.8-167.70109.7V753 F754 E755 L785K731-V753 HydrophobicContact CB-CG1 4.41Å; K731-V753 HydrophobicContact CD-CG1 4.42Å; K731-F754 VanDerWaalsContact CA-O 3.24Å; K731-F754 WeakPolarHBondContact CA-O 3.32Å; K731-F754 WeakPolarHBondContact CB-O 3.24Å; K731-E755 HydrophobicContact CD-CG 4.26Å; K731-E755 WeakPolarHBondContact CE-OE1 3.26Å; K731-E755 IonicContact NZ-OE1 2.87Å; K731-E755 PolarHBondContact NZ-OE1 3.31Å; K731-L785 HydrophobicContact CB-CB 4.21Å; K731-L785 HydrophobicContact CB-CD1 4.18Å; K731-L785 PolarHBondContact O-N 2.98Å
732A92.7Very high68.7Low0 Ų097.2 Ų97.20%053%0.529CS..EExtended strand (participates in β ladder)trans-137.9156.9172.800000109.9V753 F754 V757 V782 E783 L784A732-V753 CarbonylContact O-C 3.44Å; A732-V753 VanDerWaalsContact O-CA 3.3Å; A732-V753 WeakPolarHBondContact O-CA 3.29Å; A732-F754 HydrophobicContact CB-CD2 4.27Å; A732-F754 PolarHBondContact N-O 3.45Å; A732-F754 PolarHBondContact O-N 3.09Å; A732-V757 HydrophobicContact CB-CB 4.39Å; A732-V757 HydrophobicContact CB-CG1 4.17Å; A732-V757 HydrophobicContact CB-CG2 3.88Å; A732-V782 HydrophobicContact CB-CB 4.03Å; A732-V782 HydrophobicContact CB-CG2 4.05Å; A732-E783 CarbonylContact C-O 3.58Å; A732-E783 WeakPolarHBondContact CA-O 3.07Å; A732-L784 HydrophobicContact CB-CD2 4.15Å
733R94.8Very high70.9Confident100 Ų100101 Ų10138%0.37754%0.542SS..EExtended strand (participates in β ladder)trans-123.2129177.4174172.758.4-147.6-1.5110.4L735 T752 V782 E783 L785R733-L735 PolarHBondContact O-N 3.18Å; R733-T752 CarbonylContact C-O 3.55Å; R733-T752 WeakPolarHBondContact CA-O 3.29Å; R733-V782 CarbonylContact O-C 3.45Å; R733-V782 VanDerWaalsContact O-CA 3.23Å; R733-V782 WeakPolarHBondContact O-CA 3.4Å; R733-E783 IonicContact CZ-OE2 3.31Å; R733-E783 PolarHBondContact N-O 3.23Å; R733-E783 IonicContact NE-OE2 2.71Å; R733-E783 PolarHBondContact NE-OE2 2.84Å; R733-E783 IonicContact NH2-OE2 2.65Å; R733-E783 PolarHBondContact NH2-OE2 2.76Å; R733-E783 PolarHBondContact O-N 3.37Å; R733-L785 HydrophobicContact CB-CD1 4.16Å; R733-L785 HydrophobicContact CB-CD2 4.04Å; R733-L785 HydrophobicContact CB-CG 4.23Å
734A94.4Very high73.6Confident3 Ų398.5 Ų98.53%0.02552%0.524CS..EExtended strand (participates in β ladder)trans-61.3121.717300000111.5F748 I749 G751 T752 F754A734-F748 HydrophobicContact CB-CD2 3.65Å; A734-F748 HydrophobicContact CB-CE2 3.77Å; A734-I749 WeakPolarHBondContact CB-O 3.42Å; A734-G751 PolarHBondContact O-N 2.8Å; A734-T752 PolarHBondContact N-O 3.02Å; A734-F754 HydrophobicContact CB-CE2 4.01Å; A734-F754 HydrophobicContact CB-CZ 4.37Å
735L88.4Confident75.9Confident78 Ų7893.6 Ų93.641%0.40849%0.49SS..SBendtrans-83.8-31.7168.9-62.1177.8000111.1R733 A750 Y781 E783R733-L735 PolarHBondContact O-N 3.18Å; L735-A750 WeakPolarHBondContact O-CB 3.23Å; L735-Y781 PolarHBondContact N-O 3.05Å; L735-E783 HydrophobicContact CD1-CB 4.24Å; L735-E783 HydrophobicContact CD2-CB 3.99Å; L735-E783 HydrophobicContact CG-CB 4.14Å
736Y87.3Confident78.8Confident138 Ų13888 Ų8854%0.54146%0.456SS..SBendtrans-129.7160.4-179.4-50.4-66.4000110.8F748 Y781Y736-F748 WeakPolarHBondContact O-CE2 3.29Å; Y736-Y781 HydrophobicContact CD2-CD2 4.34Å; Y736-Y781 HydrophobicContact CD2-CG 4.31Å
737A88.8Confident81.4Confident63 Ų6386.1 Ų86.152%0.52144%0.443SS..  trans-81.2142.217300000110.8F748A737-F748 CarbonylContact C-O 3.55Å; A737-F748 WeakPolarHBondContact CA-O 3.4Å
738C88.2Confident84Confident22 Ų2279.2 Ų79.215%0.14941%0.407CS..BIsolated β-bridgetrans-126.2144.3174.9-167.30000110S747 F748 Y781C738-S747 WeakPolarHBondContact O-CA 3.33Å; C738-F748 HydrophobicContact CB-CD1 3.97Å; C738-F748 HydrophobicContact CB-CD2 4.07Å; C738-F748 HydrophobicContact CB-CE1 3.49Å; C738-F748 VanDerWaalsContact CB-CE1 3.49Å; C738-F748 HydrophobicContact CB-CE2 3.6Å; C738-F748 HydrophobicContact CB-CG 4.25Å; C738-F748 HydrophobicContact CB-CZ 3.29Å; C738-F748 PolarHBondContact N-O 2.91Å; C738-F748 PolarHBondContact O-N 3.43Å; C738-Y781 HydrophobicContact CB-CD1 4.14Å; C738-Y781 HydrophobicContact CB-CE1 4.42Å
739K90.9Very high86.3Confident174 Ų17479 Ų7976%0.75740%0.4SS*.  trans-121.8120.7168.3-174.6-170174.5-164.70107.2E741K739-E741 PolarHBondContact O-N 3.02Å
740A84.6Confident87.8Confident26 Ų2680.2 Ų80.222%0.21541%0.407CS..  trans-54.7129.6178.900000111.5E745 S747A740-E745 WeakPolarHBondContact CA-OE2 3.32Å; A740-E745 HydrophobicContact CB-CB 3.63Å; A740-E745 WeakPolarHBondContact CB-O 3.09Å; A740-S747 VanDerWaalsContact CB-OG 3.3Å; A740-S747 WeakPolarHBondContact CB-OG 3.45Å; A740-S747 PolarHBondContact N-OG 2.88Å
741E70.1Confident88Confident173 Ų17374.7 Ų74.781%0.80840%0.401SS*.SBendtrans-92-30169.6-59.4-163.7160.600110.9K739 E745K739-E741 PolarHBondContact O-N 3.02Å; E741-E745 PolarHBondContact N-OE2 3.35Å
742H78.1Confident88.1Confident119 Ų11971.9 Ų71.955%0.55139%0.391SS*.SBendtrans-117156.5176.3-5491.1000113.2S744 E745H742-S744 PolarHBondContact O-N 3.29Å; H742-S744 VanDerWaalsContact O-N 3.11Å; H742-E745 HydrophobicContact CB-CG 4.46Å; H742-E745 WeakPolarHBondContact CB-OE1 3.37Å; H742-E745 IonicContact CE1-OE1 3.47Å; H742-E745 IonicContact CG-OE1 2.76Å; H742-E745 PolarHBondContact N-OE1 3.1Å; H742-E745 IonicContact ND1-OE1 2.68Å; H742-E745 PolarHBondContact ND1-OE1 3.3Å; H742-E745 PolarHBondContact O-N 2.99Å
743N78.6Confident88.1Confident178 Ų17875 Ų7595%0.95241%0.41SS*.THydrogen-bonded Turntrans-65.6-13.1-179.6-70.3-40.8000114.5
744S84Confident88.1Confident65 Ų6570.2 Ų70.246%0.45539%0.392SS..THydrogen-bonded Turntrans-83.3-15.6173.941.70000113.4H742 G775 L776H742-S744 PolarHBondContact O-N 3.29Å; H742-S744 VanDerWaalsContact O-N 3.11Å; S744-G775 CarbonylContact O-C 3.56Å; S744-G775 VanDerWaalsContact O-CA 3.27Å; S744-G775 WeakPolarHBondContact O-CA 3.43Å; S744-L776 PolarHBondContact O-N 3.38Å
745E89.9Confident88.1Confident27 Ų2774.6 Ų74.613%0.12641%0.412CS..BIsolated β-bridgetrans-94.4153.5-176.5-63.8164-144.500112.4A740 E741 H742 W765 L776A740-E745 WeakPolarHBondContact CA-OE2 3.32Å; A740-E745 HydrophobicContact CB-CB 3.63Å; A740-E745 WeakPolarHBondContact CB-O 3.09Å; E741-E745 PolarHBondContact N-OE2 3.35Å; H742-E745 HydrophobicContact CB-CG 4.46Å; H742-E745 WeakPolarHBondContact CB-OE1 3.37Å; H742-E745 IonicContact CE1-OE1 3.47Å; H742-E745 IonicContact CG-OE1 2.76Å; H742-E745 PolarHBondContact N-OE1 3.1Å; H742-E745 IonicContact ND1-OE1 2.68Å; H742-E745 PolarHBondContact ND1-OE1 3.3Å; H742-E745 PolarHBondContact O-N 2.99Å; E745-W765 HydrophobicContact CG-CH2 3.91Å; E745-W765 HydrophobicContact CG-CZ3 3.86Å; E745-L776 HydrophobicContact CG-CB 4.16Å; E745-L776 HydrophobicContact CG-CD1 4.46Å
746L88.6Confident88.2Confident12 Ų1275.2 Ų75.26%0.06342%0.416CS..PPolyproline II helixtrans-94.5134.6172.7-64.3179.7000111.6F748 F754 G768 L770 R773 L776 I777L746-F748 HydrophobicContact CB-CD1 4.14Å; L746-F748 VanDerWaalsContact O-CD1 3.23Å; L746-F748 WeakPolarHBondContact O-CD1 3.49Å; L746-F748 WeakPolarHBondContact O-CE1 3.36Å; L746-F754 HydrophobicContact CD1-CD1 4.26Å; L746-F754 HydrophobicContact CD1-CE1 4.3Å; L746-G768 WeakPolarHBondContact CD1-O 3.48Å; L746-L770 HydrophobicContact CD1-CB 3.96Å; L746-R773 HydrophobicContact CD2-CB 4.18Å; L746-L776 PolarHBondContact N-O 3Å; L746-I777 HydrophobicContact CB-CG1 4.48Å; L746-I777 HydrophobicContact CD1-CD1 4.15Å; L746-I777 HydrophobicContact CD1-CG1 3.97Å
747S91.6Very high88.4Confident68 Ų6869 Ų6948%0.47639%0.392SS..PPolyproline II helixtrans-91.9131.2166.9-62.50000109.9C738 A740C738-S747 WeakPolarHBondContact O-CA 3.33Å; A740-S747 VanDerWaalsContact CB-OG 3.3Å; A740-S747 WeakPolarHBondContact CB-OG 3.45Å; A740-S747 PolarHBondContact N-OG 2.88Å
748F92.8Very high88.4Confident12 Ų1270.5 Ų70.55%0.05339%0.388CS..BIsolated β-bridgetrans-157.7167.1-174.255.7-98.7000112.6A734 Y736 A737 C738 L746 T752 F754 L770 I777A734-F748 HydrophobicContact CB-CD2 3.65Å; A734-F748 HydrophobicContact CB-CE2 3.77Å; Y736-F748 WeakPolarHBondContact O-CE2 3.29Å; A737-F748 CarbonylContact C-O 3.55Å; A737-F748 WeakPolarHBondContact CA-O 3.4Å; C738-F748 HydrophobicContact CB-CD1 3.97Å; C738-F748 HydrophobicContact CB-CD2 4.07Å; C738-F748 HydrophobicContact CB-CE1 3.49Å; C738-F748 VanDerWaalsContact CB-CE1 3.49Å; C738-F748 HydrophobicContact CB-CE2 3.6Å; C738-F748 HydrophobicContact CB-CG 4.25Å; C738-F748 HydrophobicContact CB-CZ 3.29Å; C738-F748 PolarHBondContact N-O 2.91Å; C738-F748 PolarHBondContact O-N 3.43Å; L746-F748 HydrophobicContact CB-CD1 4.14Å; L746-F748 VanDerWaalsContact O-CD1 3.23Å; L746-F748 WeakPolarHBondContact O-CD1 3.49Å; L746-F748 WeakPolarHBondContact O-CE1 3.36Å; F748-T752 HydrophobicContact CB-CG2 4.06Å; F748-F754 HydrophobicContact CB-CE1 4.26Å; F748-F754 HydrophobicContact CB-CZ 4.03Å; F748-F754 AromaticContact CD1-CE1 3.76Å; F748-F754 HydrophobicContact CD1-CE1 3.76Å; F748-F754 AromaticContact CD1-CZ 3.53Å; F748-F754 HydrophobicContact CD1-CZ 3.53Å; F748-F754 AromaticContact CD2-CZ 3.74Å; F748-F754 HydrophobicContact CD2-CZ 3.74Å; F748-F754 HydrophobicContact CE1-CE1 4.18Å; F748-F754 AromaticContact CE1-CZ 3.76Å; F748-F754 HydrophobicContact CE1-CZ 3.76Å; F748-F754 AromaticContact CE2-CZ 3.95Å; F748-F754 HydrophobicContact CE2-CZ 3.95Å; F748-F754 HydrophobicContact CG-CE1 4.02Å; F748-F754 AromaticContact CG-CZ 3.51Å; F748-F754 HydrophobicContact CG-CZ 3.51Å; F748-F754 AromaticContact CZ-CZ 3.95Å; F748-F754 HydrophobicContact CZ-CZ 3.95Å; F748-L770 HydrophobicContact CB-CD2 4.01Å; F748-I777 HydrophobicContact CE1-CB 4.48Å; F748-I777 HydrophobicContact CE1-CG1 4.47Å; F748-I777 HydrophobicContact CE1-CG2 3.92Å; F748-I777 HydrophobicContact CZ-CG2 3.86Å
749I92.6Very high88.4Confident119 Ų11973 Ų7361%0.6141%0.41SS*.  trans-110.5160.6177.459.6173.4000111.2A734 G751 T752A734-I749 WeakPolarHBondContact CB-O 3.42Å; I749-G751 PolarHBondContact O-N 2.61Å; I749-T752 WeakPolarHBondContact CG1-OG1 3.38Å; I749-T752 PolarHBondContact N-OG1 3.47Å; I749-T752 VanDerWaalsContact O-CB 3.27Å; I749-T752 WeakPolarHBondContact O-CB 3.39Å; I749-T752 PolarHBondContact O-N 3.48Å; I749-T752 VanDerWaalsContact O-N 3.14Å; I749-T752 PolarHBondContact O-OG1 2.83Å; I749-T752 VanDerWaalsContact O-OG1 3.08Å
750A92.4Very high88.2Confident56 Ų5665.9 Ų65.946%0.46338%0.383SS..THydrogen-bonded Turntrans-57.6135.2171.200000110.3L735L735-A750 WeakPolarHBondContact O-CB 3.23Å
751G86.8Confident87.7Confident49 Ų4976 Ų7651%0.50542%0.416SS..THydrogen-bonded Turntrans92.7-14.6-173.600000115.4A734 I749A734-G751 PolarHBondContact O-N 2.8Å; I749-G751 PolarHBondContact O-N 2.61Å
752T93.7Very high88.2Confident27 Ų2772.3 Ų72.317%0.16640%0.398CS..  trans-58.1140172.9-680000111.1R733 A734 F748 I749 F754 L770R733-T752 CarbonylContact C-O 3.55Å; R733-T752 WeakPolarHBondContact CA-O 3.29Å; A734-T752 PolarHBondContact N-O 3.02Å; F748-T752 HydrophobicContact CB-CG2 4.06Å; I749-T752 WeakPolarHBondContact CG1-OG1 3.38Å; I749-T752 PolarHBondContact N-OG1 3.47Å; I749-T752 VanDerWaalsContact O-CB 3.27Å; I749-T752 WeakPolarHBondContact O-CB 3.39Å; I749-T752 PolarHBondContact O-N 3.48Å; I749-T752 VanDerWaalsContact O-N 3.14Å; I749-T752 PolarHBondContact O-OG1 2.83Å; I749-T752 VanDerWaalsContact O-OG1 3.08Å; T752-F754 HydrophobicContact CG2-CE1 4.2Å; T752-F754 HydrophobicContact CG2-CE2 4.49Å; T752-F754 HydrophobicContact CG2-CZ 4.11Å; T752-L770 HydrophobicContact CG2-CD1 3.46Å; T752-L770 VanDerWaalsContact CG2-CD1 3.46Å; T752-L770 HydrophobicContact CG2-CD2 3.74Å; T752-L770 HydrophobicContact CG2-CG 4.24Å
753V94.4Very high88.2Confident66 Ų6672.8 Ų72.840%0.441%0.412SS..EExtended strand (participates in β ladder)trans-110.4134.7177-179.50000109.8K731 A732 L785K731-V753 HydrophobicContact CB-CG1 4.41Å; K731-V753 HydrophobicContact CD-CG1 4.42Å; A732-V753 CarbonylContact O-C 3.44Å; A732-V753 VanDerWaalsContact O-CA 3.3Å; A732-V753 WeakPolarHBondContact O-CA 3.29Å; V753-L785 HydrophobicContact CG1-CD1 4.06Å
754F94.1Very high88.4Confident0 Ų066 Ų660%038%0.384CS..EExtended strand (participates in β ladder)trans-108.3150178.2-49.6-90.2000110.4K731 A732 A734 L746 F748 T752 V757 T769 L770 I777 V782K731-F754 VanDerWaalsContact CA-O 3.24Å; K731-F754 WeakPolarHBondContact CA-O 3.32Å; K731-F754 WeakPolarHBondContact CB-O 3.24Å; A732-F754 HydrophobicContact CB-CD2 4.27Å; A732-F754 PolarHBondContact N-O 3.45Å; A732-F754 PolarHBondContact O-N 3.09Å; A734-F754 HydrophobicContact CB-CE2 4.01Å; A734-F754 HydrophobicContact CB-CZ 4.37Å; L746-F754 HydrophobicContact CD1-CD1 4.26Å; L746-F754 HydrophobicContact CD1-CE1 4.3Å; F748-F754 HydrophobicContact CB-CE1 4.26Å; F748-F754 HydrophobicContact CB-CZ 4.03Å; F748-F754 AromaticContact CD1-CE1 3.76Å; F748-F754 HydrophobicContact CD1-CE1 3.76Å; F748-F754 AromaticContact CD1-CZ 3.53Å; F748-F754 HydrophobicContact CD1-CZ 3.53Å; F748-F754 AromaticContact CD2-CZ 3.74Å; F748-F754 HydrophobicContact CD2-CZ 3.74Å; F748-F754 HydrophobicContact CE1-CE1 4.18Å; F748-F754 AromaticContact CE1-CZ 3.76Å; F748-F754 HydrophobicContact CE1-CZ 3.76Å; F748-F754 AromaticContact CE2-CZ 3.95Å; F748-F754 HydrophobicContact CE2-CZ 3.95Å; F748-F754 HydrophobicContact CG-CE1 4.02Å; F748-F754 AromaticContact CG-CZ 3.51Å; F748-F754 HydrophobicContact CG-CZ 3.51Å; F748-F754 AromaticContact CZ-CZ 3.95Å; F748-F754 HydrophobicContact CZ-CZ 3.95Å; T752-F754 HydrophobicContact CG2-CE1 4.2Å; T752-F754 HydrophobicContact CG2-CE2 4.49Å; T752-F754 HydrophobicContact CG2-CZ 4.11Å; F754-V757 HydrophobicContact CB-CG2 3.61Å; F754-T769 WeakPolarHBondContact CA-O 3.44Å; F754-L770 HydrophobicContact CD1-CB 4.01Å; F754-L770 HydrophobicContact CE1-CB 4.31Å; F754-L770 HydrophobicContact CE1-CD2 4.1Å; F754-I777 HydrophobicContact CB-CD1 4.07Å; F754-I777 HydrophobicContact CD1-CD1 3.38Å; F754-I777 HydrophobicContact CD1-CG1 4.04Å; F754-I777 HydrophobicContact CD2-CD1 4.23Å; F754-I777 HydrophobicContact CE1-CD1 3.78Å; F754-I777 HydrophobicContact CE1-CG1 3.91Å; F754-I777 HydrophobicContact CE1-CG2 4.45Å; F754-I777 HydrophobicContact CE2-CG2 4.16Å; F754-I777 HydrophobicContact CG-CD1 3.63Å; F754-I777 HydrophobicContact CZ-CD1 4.35Å; F754-I777 HydrophobicContact CZ-CG1 4.35Å; F754-I777 HydrophobicContact CZ-CG2 4.05Å; F754-V782 HydrophobicContact CD2-CG1 4.13Å; F754-V782 HydrophobicContact CE2-CG1 3.6Å; F754-V782 HydrophobicContact CZ-CG1 4.44Å
755E94.1Very high88.7Confident94 Ų9466 Ų6644%0.43937%0.374SS..EExtended strand (participates in β ladder)trans-115161.9176.9-52.1-159.3145.400111.4K731 V757 T769K731-E755 HydrophobicContact CD-CG 4.26Å; K731-E755 WeakPolarHBondContact CE-OE1 3.26Å; K731-E755 IonicContact NZ-OE1 2.87Å; K731-E755 PolarHBondContact NZ-OE1 3.31Å; E755-V757 PolarHBondContact O-N 2.9Å; E755-T769 PolarHBondContact N-O 2.84Å; E755-T769 PolarHBondContact O-N 3.44Å
756N90.5Very high88.8Confident92 Ų9265.1 Ų65.149%0.49237%0.37SS..EExtended strand (participates in β ladder)trans55.431.3179.8-54.7-41.8000114.6R730 H758R730-N756 PolarHBondContact O-N 2.93Å; N756-H758 PolarHBondContact O-CD2 3.42Å; N756-H758 VanDerWaalsContact O-CD2 3.25Å; N756-H758 PolarHBondContact O-N 3.21Å
757V91.9Very high89.1Confident6 Ų667.8 Ų67.84%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-71.5128.2-171.3-172.30000111.5R730 A732 F754 E755 L766 E767 L784R730-V757 WeakPolarHBondContact CB-O 3.48Å; R730-V757 PolarHBondContact O-N 3.32Å; A732-V757 HydrophobicContact CB-CB 4.39Å; A732-V757 HydrophobicContact CB-CG1 4.17Å; A732-V757 HydrophobicContact CB-CG2 3.88Å; F754-V757 HydrophobicContact CB-CG2 3.61Å; E755-V757 PolarHBondContact O-N 2.9Å; V757-L766 HydrophobicContact CG1-CB 3.93Å; V757-L766 HydrophobicContact CG1-CD1 3.73Å; V757-L766 HydrophobicContact CG1-CG 4.41Å; V757-E767 WeakPolarHBondContact CA-O 3.33Å; V757-L784 HydrophobicContact CG1-CD2 4.33Å
758H89.3Confident89.1Confident95 Ų9564.6 Ų64.644%0.4436%0.36SS..EExtended strand (participates in β ladder)trans-139.6170.3173.654.278.2000111.7N756 L766 E767N756-H758 PolarHBondContact O-CD2 3.42Å; N756-H758 VanDerWaalsContact O-CD2 3.25Å; N756-H758 PolarHBondContact O-N 3.21Å; H758-L766 CarbonylContact O-C 3.57Å; H758-L766 VanDerWaalsContact O-CA 3.3Å; H758-L766 WeakPolarHBondContact O-CA 3.28Å; H758-L766 WeakPolarHBondContact O-CB 3.38Å; H758-E767 IonicContact CE1-OE2 2.91Å; H758-E767 PolarHBondContact CE1-OE2 2.92Å; H758-E767 PolarHBondContact N-O 3.06Å; H758-E767 PolarHBondContact O-N 3.29Å
759A86.7Confident89.1Confident74 Ų7465.3 Ų65.361%0.61237%0.366SS*.EExtended strand (participates in β ladder)trans-60.3140.5173.900000110.4
760S86.4Confident89.1Confident25 Ų2561 Ų6118%0.17534%0.344CS..  trans-81171.1169.9-172.40000111E762 W765 L776S760-E762 VanDerWaalsContact C-N 3.25Å; S760-E762 PolarHBondContact OG-N 3.29Å; S760-W765 WeakPolarHBondContact CB-O 3.12Å; S760-W765 PolarHBondContact N-O 3.21Å; S760-L776 WeakPolarHBondContact OG-CD2 3.36Å
761R74.4Confident88.8Confident240 Ų24065.9 Ų65.991%0.90636%0.362SS*.SBendtrans-75.3-17.7165.1-58.2-179.2-175.9-162-0.5112
762E80.5Confident88.6Confident94 Ų9467 Ų6744%0.43937%0.374SS..SBendtrans-92.5118.5176.4-69-179.7-136.200110.5S760 G764 W765 L776S760-E762 VanDerWaalsContact C-N 3.25Å; S760-E762 PolarHBondContact OG-N 3.29Å; E762-G764 PolarHBondContact O-N 2.91Å; E762-W765 HydrophobicContact CB-CB 4.26Å; E762-W765 HydrophobicContact CB-CG 4.31Å; E762-W765 PolarHBondContact O-N 3.45Å; E762-W765 VanDerWaalsContact O-N 3.08Å; E762-L776 WeakPolarHBondContact OE1-CD1 3.39Å
763P79.6Confident88.2Confident129 Ų12975 Ų7584%0.83840%0.401SS*.THydrogen-bonded Turntrans-60.4132.4-177.9-25.735.3000113W765P763-W765 VanDerWaalsContact C-N 3.32Å
764G82.4Confident88.1Confident37 Ų3775.6 Ų75.638%0.38141%0.405SS..THydrogen-bonded Turntrans82.36.9-17500000114.4E762 E779E762-G764 PolarHBondContact O-N 2.91Å; G764-E779 VanDerWaalsContact O-CB 3.29Å; G764-E779 WeakPolarHBondContact O-CB 3.42Å; G764-E779 PolarHBondContact O-N 2.93Å
765W90.8Very high88Confident63 Ų6375.8 Ų75.824%0.23941%0.407CS..EExtended strand (participates in β ladder)trans-119.8148.4171-62.581.3000111.3E745 S760 E762 P763 L776 I777 P778E745-W765 HydrophobicContact CG-CH2 3.91Å; E745-W765 HydrophobicContact CG-CZ3 3.86Å; S760-W765 WeakPolarHBondContact CB-O 3.12Å; S760-W765 PolarHBondContact N-O 3.21Å; E762-W765 HydrophobicContact CB-CB 4.26Å; E762-W765 HydrophobicContact CB-CG 4.31Å; E762-W765 PolarHBondContact O-N 3.45Å; E762-W765 VanDerWaalsContact O-N 3.08Å; P763-W765 VanDerWaalsContact C-N 3.32Å; W765-L776 HydrophobicContact CB-CD2 4.45Å; W765-L776 HydrophobicContact CD2-CB 4.41Å; W765-L776 HydrophobicContact CE3-CB 3.67Å; W765-L776 HydrophobicContact CZ3-CB 4.07Å; W765-I777 WeakPolarHBondContact CA-O 3.31Å; W765-I777 VanDerWaalsContact CE3-C 3.42Å; W765-P778 HydrophobicContact CE3-CB 4.33Å; W765-P778 HydrophobicContact CE3-CG 3.9Å; W765-P778 HydrophobicContact CH2-CG 3.91Å; W765-P778 HydrophobicContact CZ3-CB 4.43Å; W765-P778 HydrophobicContact CZ3-CG 3.56Å
766L92Very high88Confident9 Ų971.9 Ų71.95%0.04739%0.389CS..EExtended strand (participates in β ladder)trans-106.1155.8165.4-56.7-178.1000108.7V757 H758 L776 I777 E779 V782 L784V757-L766 HydrophobicContact CG1-CB 3.93Å; V757-L766 HydrophobicContact CG1-CD1 3.73Å; V757-L766 HydrophobicContact CG1-CG 4.41Å; H758-L766 CarbonylContact O-C 3.57Å; H758-L766 VanDerWaalsContact O-CA 3.3Å; H758-L766 WeakPolarHBondContact O-CA 3.28Å; H758-L766 WeakPolarHBondContact O-CB 3.38Å; L766-L776 WeakPolarHBondContact O-CA 3.35Å; L766-I777 PolarHBondContact N-O 3.16Å; L766-I777 PolarHBondContact O-N 2.71Å; L766-E779 HydrophobicContact CD1-CG 4.27Å; L766-E779 HydrophobicContact CD2-CB 4.29Å; L766-E779 HydrophobicContact CD2-CG 3.99Å; L766-E779 HydrophobicContact CG-CB 3.96Å; L766-E779 HydrophobicContact CG-CG 4Å; L766-V782 HydrophobicContact CD1-CG2 3.75Å; L766-L784 HydrophobicContact CD1-CD2 4.36Å
767E93.7Very high88.1Confident68 Ų6867.5 Ų67.532%0.31837%0.366SS..EExtended strand (participates in β ladder)trans-108.5137.8166.5-179168.8-149.400108.2V757 H758 T774 G775V757-E767 WeakPolarHBondContact CA-O 3.33Å; H758-E767 IonicContact CE1-OE2 2.91Å; H758-E767 PolarHBondContact CE1-OE2 2.92Å; H758-E767 PolarHBondContact N-O 3.06Å; H758-E767 PolarHBondContact O-N 3.29Å; E767-T774 HydrophobicContact CG-CG2 3.53Å; E767-G775 WeakPolarHBondContact CA-O 3.49Å
768G92.8Very high88.2Confident1 Ų167.7 Ų67.71%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-165.3167.5-178.200000112.4L746 T774 G775L746-G768 WeakPolarHBondContact CD1-O 3.48Å; G768-T774 WeakPolarHBondContact O-CA 3.24Å; G768-G775 PolarHBondContact N-O 3.32Å; G768-G775 VanDerWaalsContact N-O 3.12Å; G768-G775 PolarHBondContact O-N 2.7Å
769T92.9Very high88.3Confident27 Ų2768 Ų6817%0.16637%0.369CS..EExtended strand (participates in β ladder)trans-103131.8-175.8-48.60000111.7F754 E755 R773 T774F754-T769 WeakPolarHBondContact CA-O 3.44Å; E755-T769 PolarHBondContact N-O 2.84Å; E755-T769 PolarHBondContact O-N 3.44Å; T769-R773 CarbonylContact C-O 3.53Å; T769-R773 WeakPolarHBondContact CA-O 3.46Å; T769-T774 PolarHBondContact OG1-OG1 3.06Å
770L91.2Very high88.5Confident28 Ų2869.9 Ų69.915%0.14737%0.369CS..EExtended strand (participates in β ladder)trans-129.6129169.1177.660.3000109.2L746 F748 T752 F754 G772 R773L746-L770 HydrophobicContact CD1-CB 3.96Å; F748-L770 HydrophobicContact CB-CD2 4.01Å; T752-L770 HydrophobicContact CG2-CD1 3.46Å; T752-L770 VanDerWaalsContact CG2-CD1 3.46Å; T752-L770 HydrophobicContact CG2-CD2 3.74Å; T752-L770 HydrophobicContact CG2-CG 4.24Å; F754-L770 HydrophobicContact CD1-CB 4.01Å; F754-L770 HydrophobicContact CE1-CB 4.31Å; F754-L770 HydrophobicContact CE1-CD2 4.1Å; L770-G772 PolarHBondContact O-N 2.75Å; L770-R773 PolarHBondContact N-O 3.36Å; L770-R773 PolarHBondContact O-N 2.78Å; L770-R773 VanDerWaalsContact O-O 3.14Å
771D85.8Confident88.7Confident160 Ų16072.7 Ų72.786%0.85638%0.376SS*.THydrogen-bonded Turntrans48.635.2178.1-58.3-30.8000114.4R773D771-R773 VanDerWaalsContact C-N 3.32Å; D771-R773 PolarHBondContact O-N 3.32Å
772G83.6Confident89.5Confident73 Ų7362 Ų6275%0.75334%0.337SS*.THydrogen-bonded Turntrans81.3-0.9-178.200000115.7L770L770-G772 PolarHBondContact O-N 2.75Å
773R85.6Confident90.1Very high194 Ų19461.5 Ų61.573%0.73234%0.335SS*.EExtended strand (participates in β ladder)trans-99125.3169.9-100.6-176.3171.5-163.8-4110.8L746 T769 L770 D771L746-R773 HydrophobicContact CD2-CB 4.18Å; T769-R773 CarbonylContact C-O 3.53Å; T769-R773 WeakPolarHBondContact CA-O 3.46Å; L770-R773 PolarHBondContact N-O 3.36Å; L770-R773 PolarHBondContact O-N 2.78Å; L770-R773 VanDerWaalsContact O-O 3.14Å; D771-R773 VanDerWaalsContact C-N 3.32Å; D771-R773 PolarHBondContact O-N 3.32Å
774T91.9Very high90.6Very high78 Ų7859.8 Ų59.848%0.47932%0.318SS..EExtended strand (participates in β ladder)trans-89.5142.2167.2-59.30000110.1E767 G768 T769E767-T774 HydrophobicContact CG-CG2 3.53Å; G768-T774 WeakPolarHBondContact O-CA 3.24Å; T769-T774 PolarHBondContact OG1-OG1 3.06Å
775G92.3Very high90.5Very high5 Ų564.1 Ų64.15%0.05233%0.332CS..EExtended strand (participates in β ladder)trans-176.9-176.2174.500000112.8S744 E767 G768S744-G775 CarbonylContact O-C 3.56Å; S744-G775 VanDerWaalsContact O-CA 3.27Å; S744-G775 WeakPolarHBondContact O-CA 3.43Å; E767-G775 WeakPolarHBondContact CA-O 3.49Å; G768-G775 PolarHBondContact N-O 3.32Å; G768-G775 VanDerWaalsContact N-O 3.12Å; G768-G775 PolarHBondContact O-N 2.7Å
776L93.9Very high90.5Very high11 Ų1164.2 Ų64.26%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-76.8138.9-175.2-59.6170.8000112.3S744 E745 L746 S760 E762 W765 L766S744-L776 PolarHBondContact O-N 3.38Å; E745-L776 HydrophobicContact CG-CB 4.16Å; E745-L776 HydrophobicContact CG-CD1 4.46Å; L746-L776 PolarHBondContact N-O 3Å; S760-L776 WeakPolarHBondContact OG-CD2 3.36Å; E762-L776 WeakPolarHBondContact OE1-CD1 3.39Å; W765-L776 HydrophobicContact CB-CD2 4.45Å; W765-L776 HydrophobicContact CD2-CB 4.41Å; W765-L776 HydrophobicContact CE3-CB 3.67Å; W765-L776 HydrophobicContact CZ3-CB 4.07Å; L766-L776 WeakPolarHBondContact O-CA 3.35Å
777I93.4Very high90.4Very high0 Ų067.1 Ų67.10%035%0.352CS..EExtended strand (participates in β ladder)trans-135.4125.9-178.2-57.1158.5000107.3L746 F748 F754 W765 L766 E779 V782L746-I777 HydrophobicContact CB-CG1 4.48Å; L746-I777 HydrophobicContact CD1-CD1 4.15Å; L746-I777 HydrophobicContact CD1-CG1 3.97Å; F748-I777 HydrophobicContact CE1-CB 4.48Å; F748-I777 HydrophobicContact CE1-CG1 4.47Å; F748-I777 HydrophobicContact CE1-CG2 3.92Å; F748-I777 HydrophobicContact CZ-CG2 3.86Å; F754-I777 HydrophobicContact CB-CD1 4.07Å; F754-I777 HydrophobicContact CD1-CD1 3.38Å; F754-I777 HydrophobicContact CD1-CG1 4.04Å; F754-I777 HydrophobicContact CD2-CD1 4.23Å; F754-I777 HydrophobicContact CE1-CD1 3.78Å; F754-I777 HydrophobicContact CE1-CG1 3.91Å; F754-I777 HydrophobicContact CE1-CG2 4.45Å; F754-I777 HydrophobicContact CE2-CG2 4.16Å; F754-I777 HydrophobicContact CG-CD1 3.63Å; F754-I777 HydrophobicContact CZ-CD1 4.35Å; F754-I777 HydrophobicContact CZ-CG1 4.35Å; F754-I777 HydrophobicContact CZ-CG2 4.05Å; W765-I777 WeakPolarHBondContact CA-O 3.31Å; W765-I777 VanDerWaalsContact CE3-C 3.42Å; L766-I777 PolarHBondContact N-O 3.16Å; L766-I777 PolarHBondContact O-N 2.71Å; I777-E779 PolarHBondContact O-N 2.85Å; I777-V782 HydrophobicContact CG2-CG1 3.44Å; I777-V782 VanDerWaalsContact CG2-CG1 3.44Å; I777-V782 HydrophobicContact CG2-CG2 4.4Å
778P92.6Very high90.2Very high11 Ų1167.1 Ų67.17%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-63.2129178.7-17.628.4000110.8W765 N780 Y781W765-P778 HydrophobicContact CE3-CB 4.33Å; W765-P778 HydrophobicContact CE3-CG 3.9Å; W765-P778 HydrophobicContact CH2-CG 3.91Å; W765-P778 HydrophobicContact CZ3-CB 4.43Å; W765-P778 HydrophobicContact CZ3-CG 3.56Å; P778-N780 VanDerWaalsContact C-N 3.27Å; P778-N780 WeakPolarHBondContact CB-OD1 3.38Å; P778-N780 PolarHBondContact O-N 3.05Å; P778-Y781 HydrophobicContact CB-CD2 3.97Å; P778-Y781 HydrophobicContact CB-CG 3.98Å; P778-Y781 HydrophobicContact CG-CD1 4.41Å; P778-Y781 HydrophobicContact CG-CD2 4.44Å; P778-Y781 HydrophobicContact CG-CG 4.14Å; P778-Y781 WeakPolarHBondContact O-CB 3.3Å; P778-Y781 PolarHBondContact O-N 2.99Å
779E91.6Very high90.1Very high101 Ų10170.9 Ų70.947%0.47237%0.374SS..G310 helixtrans-61.8-37.5-175.4-176.7174-151.600111.3G764 L766 I777 Y781 V782G764-E779 VanDerWaalsContact O-CB 3.29Å; G764-E779 WeakPolarHBondContact O-CB 3.42Å; G764-E779 PolarHBondContact O-N 2.93Å; L766-E779 HydrophobicContact CD1-CG 4.27Å; L766-E779 HydrophobicContact CD2-CB 4.29Å; L766-E779 HydrophobicContact CD2-CG 3.99Å; L766-E779 HydrophobicContact CG-CB 3.96Å; L766-E779 HydrophobicContact CG-CG 4Å; I777-E779 PolarHBondContact O-N 2.85Å; E779-Y781 PolarHBondContact O-N 3.1Å; E779-V782 PolarHBondContact O-N 3.46Å
780N90.8Very high89.9Confident114 Ų11473.7 Ų73.761%0.6139%0.387SS*.G310 helixtrans-74.4-4.8175.365.9-25.2000114.5P778P778-N780 VanDerWaalsContact C-N 3.27Å; P778-N780 WeakPolarHBondContact CB-OD1 3.38Å; P778-N780 PolarHBondContact O-N 3.05Å
781Y91.3Very high89.8Confident83 Ų8376.7 Ų76.733%0.32540%0.403SS..G310 helixtrans-98-4.8177-84.5-138.6000113L735 Y736 C738 P778 E779L735-Y781 PolarHBondContact N-O 3.05Å; Y736-Y781 HydrophobicContact CD2-CD2 4.34Å; Y736-Y781 HydrophobicContact CD2-CG 4.31Å; C738-Y781 HydrophobicContact CB-CD1 4.14Å; C738-Y781 HydrophobicContact CB-CE1 4.42Å; P778-Y781 HydrophobicContact CB-CD2 3.97Å; P778-Y781 HydrophobicContact CB-CG 3.98Å; P778-Y781 HydrophobicContact CG-CD1 4.41Å; P778-Y781 HydrophobicContact CG-CD2 4.44Å; P778-Y781 HydrophobicContact CG-CG 4.14Å; P778-Y781 WeakPolarHBondContact O-CB 3.3Å; P778-Y781 PolarHBondContact O-N 2.99Å; E779-Y781 PolarHBondContact O-N 3.1Å
782V90Very high90.1Very high15 Ų1570.8 Ų70.89%0.09137%0.371CS..EExtended strand (participates in β ladder)trans-129.8156.6-176.8-60.20000113.7A732 R733 F754 L766 I777 E779A732-V782 HydrophobicContact CB-CB 4.03Å; A732-V782 HydrophobicContact CB-CG2 4.05Å; R733-V782 CarbonylContact O-C 3.45Å; R733-V782 VanDerWaalsContact O-CA 3.23Å; R733-V782 WeakPolarHBondContact O-CA 3.4Å; F754-V782 HydrophobicContact CD2-CG1 4.13Å; F754-V782 HydrophobicContact CE2-CG1 3.6Å; F754-V782 HydrophobicContact CZ-CG1 4.44Å; L766-V782 HydrophobicContact CD1-CG2 3.75Å; I777-V782 HydrophobicContact CG2-CG1 3.44Å; I777-V782 VanDerWaalsContact CG2-CG1 3.44Å; I777-V782 HydrophobicContact CG2-CG2 4.4Å; E779-V782 PolarHBondContact O-N 3.46Å
783E93.4Very high90.6Very high84 Ų8470.6 Ų70.639%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-111.5126.1170.2-179.5-179-145.700108.4A732 R733 L735A732-E783 CarbonylContact C-O 3.58Å; A732-E783 WeakPolarHBondContact CA-O 3.07Å; R733-E783 IonicContact CZ-OE2 3.31Å; R733-E783 PolarHBondContact N-O 3.23Å; R733-E783 IonicContact NE-OE2 2.71Å; R733-E783 PolarHBondContact NE-OE2 2.84Å; R733-E783 IonicContact NH2-OE2 2.65Å; R733-E783 PolarHBondContact NH2-OE2 2.76Å; R733-E783 PolarHBondContact O-N 3.37Å; L735-E783 HydrophobicContact CD1-CB 4.24Å; L735-E783 HydrophobicContact CD2-CB 3.99Å; L735-E783 HydrophobicContact CG-CB 4.14Å
784L89.8Confident91Very high93 Ų9360.3 Ų60.349%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-69.6139.4173.7-69.2169.4000110.2A732 V757 L766A732-L784 HydrophobicContact CB-CD2 4.15Å; V757-L784 HydrophobicContact CG1-CD2 4.33Å; L766-L784 HydrophobicContact CD1-CD2 4.36Å
785L81.4Confident90.9Very high129 Ų12958.7 Ų58.768%0.67529%0.294SS*.  trans-107.20-176.9-58.4179.4000112.5K731 R733 V753K731-L785 HydrophobicContact CB-CB 4.21Å; K731-L785 HydrophobicContact CB-CD1 4.18Å; K731-L785 PolarHBondContact O-N 2.98Å; R733-L785 HydrophobicContact CB-CD1 4.16Å; R733-L785 HydrophobicContact CB-CD2 4.04Å; R733-L785 HydrophobicContact CB-CG 4.23Å; V753-L785 HydrophobicContact CG1-CD1 4.06Å

Retrieved 785 of 785 residues in 262.9 ms (Link to these results)

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