A0A096MWS3_PAPAN Loading...

CTTNBP2 N-terminal like

AlphaFold DB , UniProt , Accession A0A096MWS3, Species PAPAN (Papio anubis, Olive baboon), Gene CTTNBP2NL, Length 639 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
1M60.2Low81Confident205 Ų205115.1 Ų115.1100%1.0157%0.574SS**  0168.40-63176.8-17500109
2N72.3Confident81.8Confident87 Ų87113.9 Ų113.947%0.46557%0.57SS.*  trans-104.993.7178.7-172.7-121.1000109E4 K5N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.36Å; N2-K5 PolarHBondContact O-N 3.37Å; N2-K5 WeakPolarHBondContact OD1-CD 3.37Å; N2-K5 WeakPolarHBondContact OD1-CE 3.43Å; N2-K5 WeakPolarHBondContact OD1-CG 3.32Å
3L71.9Confident82.6Confident102 Ų102111.8 Ų111.853%0.53457%0.567SS.*G310 helixtrans-61.8-31.4-166-81.467.6000113.3K5 L6L3-K5 PolarHBondContact O-N 2.87Å; L3-L6 PolarHBondContact O-N 3.42Å
4E75.2Confident83.2Confident182 Ų182107.2 Ų107.285%0.8554%0.544SS*.G310 helixtrans-63.2-9.9179.5-6017615900114.3N2N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.36Å
5K80.3Confident83.8Confident170 Ų170108.3 Ų108.374%0.73954%0.544SS*.G310 helixtrans-106.3-1.2-180-66.3-179.5-175.7174.20114.2N2 L3N2-K5 PolarHBondContact O-N 3.37Å; N2-K5 WeakPolarHBondContact OD1-CD 3.37Å; N2-K5 WeakPolarHBondContact OD1-CE 3.43Å; N2-K5 WeakPolarHBondContact OD1-CG 3.32Å; L3-K5 PolarHBondContact O-N 2.87Å
6L82.8Confident84.4Confident54 Ų54106.1 Ų106.128%0.28354%0.542SS..SBendtrans-79.9135.8174.7-62.4177.5000110L3 E10 L11 L14L3-L6 PolarHBondContact O-N 3.42Å; L6-E10 HydrophobicContact CB-CB 4.29Å; L6-E10 HydrophobicContact CD2-CB 4.37Å; L6-L11 HydrophobicContact CB-CB 4.33Å; L6-L11 HydrophobicContact CD1-CD1 4.37Å; L6-L14 HydrophobicContact CD1-CD2 3.81Å
7S87.5Confident85Confident54 Ų54105.8 Ų105.838%0.37854%0.541SS..  trans-69.8158.9169.971.10000110.8P9 E10 L11S7-P9 VanDerWaalsContact C-CD 3.5Å; S7-P9 WeakPolarHBondContact OG-CD 3.3Å; S7-E10 WeakPolarHBondContact CB-OE2 3.27Å; S7-E10 PolarHBondContact N-OE2 3.46Å; S7-E10 PolarHBondContact O-N 3.02Å; S7-E10 VanDerWaalsContact OG-CD 3.32Å; S7-E10 WeakPolarHBondContact OG-CG 3.24Å; S7-E10 PolarHBondContact OG-OE2 2.86Å; S7-L11 PolarHBondContact O-N 3.34Å
8K88.1Confident85.5Confident168 Ų168104.6 Ų104.673%0.7354%0.535SS*.Hα-helixtrans-48.8-44.7-179.6-172.2174.7179.4-179.70114.9L12K8-L12 HydrophobicContact CG-CD1 4.26Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.49Å; K8-L12 VanDerWaalsContact O-N 3.09Å
9P91.6Very high85.9Confident83 Ų83105.2 Ų105.254%0.53954%0.536SS..Hα-helixtrans-70.5-34.7177.227.2-35.3000113.7S7 L12 T13S7-P9 VanDerWaalsContact C-CD 3.5Å; S7-P9 WeakPolarHBondContact OG-CD 3.3Å; P9-L12 PolarHBondContact O-N 2.84Å; P9-T13 WeakPolarHBondContact O-CB 3.11Å; P9-T13 PolarHBondContact O-N 3.41Å; P9-T13 PolarHBondContact O-OG1 3.28Å
10E90.3Very high86.4Confident104 Ų104101.6 Ų101.649%0.48653%0.526SS..Hα-helixtrans-66.4-41.8175.7-66166.3121.200110.9L6 S7 T13 L14L6-E10 HydrophobicContact CB-CB 4.29Å; L6-E10 HydrophobicContact CD2-CB 4.37Å; S7-E10 WeakPolarHBondContact CB-OE2 3.27Å; S7-E10 PolarHBondContact N-OE2 3.46Å; S7-E10 PolarHBondContact O-N 3.02Å; S7-E10 VanDerWaalsContact OG-CD 3.32Å; S7-E10 WeakPolarHBondContact OG-CG 3.24Å; S7-E10 PolarHBondContact OG-OE2 2.86Å; E10-T13 PolarHBondContact O-N 3.28Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 PolarHBondContact O-N 3.39Å
11L90.6Very high86.9Confident57 Ų57100.7 Ų100.730%0.29852%0.519SS..Hα-helixtrans-64.8-42.2177.1-176.762000112L6 S7 L14 F15L6-L11 HydrophobicContact CB-CB 4.33Å; L6-L11 HydrophobicContact CD1-CD1 4.37Å; S7-L11 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 2.96Å; L11-F15 HydrophobicContact CD1-CD2 4.08Å; L11-F15 HydrophobicContact CD1-CE2 3.67Å; L11-F15 HydrophobicContact CD1-CZ 4.48Å; L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 HydrophobicContact CG-CD2 3.97Å; L11-F15 HydrophobicContact CG-CE2 3.74Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.37Å; L11-F15 PolarHBondContact O-N 2.81Å
12L91.4Very high88.6Confident101 Ų10195.8 Ų95.853%0.52950%0.496SS..Hα-helixtrans-62.4-43.8173.4-79.3166000111.9K8 P9 L14 F15 S16K8-L12 HydrophobicContact CG-CD1 4.26Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.49Å; K8-L12 VanDerWaalsContact O-N 3.09Å; P9-L12 PolarHBondContact O-N 2.84Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.78Å; L12-F15 PolarHBondContact O-N 3.17Å; L12-S16 PolarHBondContact O-N 2.91Å
13T91.8Very high89.7Confident86 Ų8697.5 Ų97.553%0.52850%0.502SS..Hα-helixtrans-60.3-42.6176.7-54.70000111.2P9 E10 S16 I17P9-T13 WeakPolarHBondContact O-CB 3.11Å; P9-T13 PolarHBondContact O-N 3.41Å; P9-T13 PolarHBondContact O-OG1 3.28Å; E10-T13 PolarHBondContact O-N 3.28Å; T13-S16 PolarHBondContact O-N 3.36Å; T13-I17 HydrophobicContact CG2-CD1 4.12Å; T13-I17 VanDerWaalsContact O-CG1 3.31Å; T13-I17 WeakPolarHBondContact O-CG1 3.13Å; T13-I17 PolarHBondContact O-N 3.24Å; T13-I17 VanDerWaalsContact O-N 3.13Å
14L91.6Very high90.8Very high48 Ų4895.3 Ų95.325%0.25150%0.498SS..Hα-helixtrans-64.3-40.6175.7-179.260.8000112.2L6 E10 L11 L12 I17 L18L6-L14 HydrophobicContact CD1-CD2 3.81Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 2.96Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.78Å; L14-I17 PolarHBondContact O-N 3.38Å; L14-L18 HydrophobicContact CD1-CD1 4.19Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.36Å
15F91.4Very high91.8Very high123 Ų12393.2 Ų93.254%0.53948%0.483SS..Hα-helixtrans-62.5-47.6175.9-85.8-62.1000112.3L11 L12 I17 L18 E19L11-F15 HydrophobicContact CD1-CD2 4.08Å; L11-F15 HydrophobicContact CD1-CE2 3.67Å; L11-F15 HydrophobicContact CD1-CZ 4.48Å; L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 HydrophobicContact CG-CD2 3.97Å; L11-F15 HydrophobicContact CG-CE2 3.74Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.37Å; L11-F15 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 3.17Å; F15-I17 VanDerWaalsContact C-N 3.27Å; F15-I17 PolarHBondContact O-N 2.82Å; F15-L18 PolarHBondContact O-N 3.23Å; F15-L18 VanDerWaalsContact O-N 3.12Å; F15-E19 WeakPolarHBondContact O-CB 3.37Å; F15-E19 PolarHBondContact O-N 2.83Å
16S93.1Very high92.5Very high74 Ų7489.6 Ų89.652%0.51747%0.471SS..Hα-helixtrans-65.4-27.8178.3-61.90000113.6L12 T13 G20L12-S16 PolarHBondContact O-N 2.91Å; T13-S16 PolarHBondContact O-N 3.36Å; S16-G20 PolarHBondContact O-N 3.19Å
17I94.3Very high93.1Very high101 Ų10192.6 Ų92.652%0.51849%0.487SS..Hα-helixtrans-69.7-44.1171.1-69.4166.1000110.9T13 L14 F15 E19 G20 E21T13-I17 HydrophobicContact CG2-CD1 4.12Å; T13-I17 VanDerWaalsContact O-CG1 3.31Å; T13-I17 WeakPolarHBondContact O-CG1 3.13Å; T13-I17 PolarHBondContact O-N 3.24Å; T13-I17 VanDerWaalsContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 3.38Å; F15-I17 VanDerWaalsContact C-N 3.27Å; F15-I17 PolarHBondContact O-N 2.82Å; I17-E19 VanDerWaalsContact C-N 3.34Å; I17-G20 PolarHBondContact O-N 3.48Å; I17-E21 WeakPolarHBondContact O-CB 3.44Å; I17-E21 PolarHBondContact O-N 2.8Å
18L93.9Very high93.5Very high84 Ų8494.1 Ų94.144%0.4449%0.494SS..Hα-helixtrans-68.9-32.4178.9-70169.4000112.8L14 F15 L22L14-L18 HydrophobicContact CD1-CD1 4.19Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.36Å; F15-L18 PolarHBondContact O-N 3.23Å; F15-L18 VanDerWaalsContact O-N 3.12Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.82Å
19E94.4Very high93.8Very high116 Ų11689.4 Ų89.454%0.54248%0.476SS..Hα-helixtrans-62-54.7172.1-174.2168.3-137.900110.4F15 I17 E21 L22 E23F15-E19 WeakPolarHBondContact O-CB 3.37Å; F15-E19 PolarHBondContact O-N 2.83Å; I17-E19 VanDerWaalsContact C-N 3.34Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 3.06Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 2.64Å; E19-L22 VanDerWaalsContact O-N 3.09Å; E19-E23 PolarHBondContact O-N 3.44Å
20G96.1Very high94Very high33 Ų3391.4 Ų91.434%0.3448%0.478SS..Hα-helixtrans-64.4-31.4175.500000114.5S16 I17 L22 A24S16-G20 PolarHBondContact O-N 3.19Å; I17-G20 PolarHBondContact O-N 3.48Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-A24 VanDerWaalsContact O-CB 3.25Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.21Å
21E95.9Very high94.2Very high82 Ų8289.3 Ų89.338%0.38348%0.478SS..Hα-helixtrans-66.2-35.5172.4-173.1-176.4125.700111.8I17 E19 R25I17-E21 WeakPolarHBondContact O-CB 3.44Å; I17-E21 PolarHBondContact O-N 2.8Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 3.06Å; E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.64Å; E21-R25 PolarHBondContact OE1-NH1 3.13Å; E21-R25 IonicContact OE1-NH2 3.64Å; E21-R25 PolarHBondContact OE1-NH2 2.78Å
22L96.1Very high94.4Very high102 Ų10291.2 Ų91.253%0.53449%0.488SS..Hα-helixtrans-72.5-48.3177.1-17265.6000111.3L18 E19 G20 A24 R25 D26L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.82Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 2.64Å; E19-L22 VanDerWaalsContact O-N 3.09Å; G20-L22 VanDerWaalsContact C-N 3.33Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.85Å; L22-R25 WeakPolarHBondContact O-CB 3.49Å; L22-R25 PolarHBondContact O-N 2.85Å; L22-D26 PolarHBondContact O-N 3.32Å
23E95.9Very high94.5Very high124 Ų12492.5 Ų92.558%0.57949%0.49SS*.Hα-helixtrans-57.8-43.8176-68.9-175.8155.800111.9E19 R25 D26 L27E19-E23 PolarHBondContact O-N 3.44Å; E23-R25 VanDerWaalsContact C-N 3.29Å; E23-R25 PolarHBondContact O-N 2.78Å; E23-D26 PolarHBondContact O-N 3.03Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.15Å
24A95.6Very high94.4Very high55 Ų5590 Ų9046%0.45548%0.477SS..Hα-helixtrans-63-34.4176.300000112.7G20 L22 V28G20-A24 VanDerWaalsContact O-CB 3.25Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.21Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.85Å; A24-V28 WeakPolarHBondContact O-CG2 3.39Å; A24-V28 PolarHBondContact O-N 3.42Å
25R95.4Very high94.4Very high139 Ų13993.5 Ų93.553%0.52549%0.492SS..Hα-helixtrans-69.6-43.9173.8-79.3173.8173.4145.511.5112.1E21 L22 E23 L27 V28 I29E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.64Å; E21-R25 PolarHBondContact OE1-NH1 3.13Å; E21-R25 IonicContact OE1-NH2 3.64Å; E21-R25 PolarHBondContact OE1-NH2 2.78Å; L22-R25 WeakPolarHBondContact O-CB 3.49Å; L22-R25 PolarHBondContact O-N 2.85Å; E23-R25 VanDerWaalsContact C-N 3.29Å; E23-R25 PolarHBondContact O-N 2.78Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.37Å; R25-V28 PolarHBondContact O-N 2.87Å; R25-I29 WeakPolarHBondContact O-CB 3.27Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.11Å
26D95.1Very high94.3Very high93 Ų9393.1 Ų93.150%0.49750%0.496SS..Hα-helixtrans-64.7-38.5179.6-80-31.6000111.7L22 E23 I29 E30L22-D26 PolarHBondContact O-N 3.32Å; E23-D26 PolarHBondContact O-N 3.03Å; D26-I29 PolarHBondContact O-N 3.05Å; D26-E30 WeakPolarHBondContact O-CB 3.35Å; D26-E30 PolarHBondContact O-N 3.34Å
27L95.4Very high94Very high118 Ų11896.4 Ų96.462%0.61850%0.497SS*.Hα-helixtrans-60.7-42.9171-73.6170.4000112.8E23 R25 E30 A31E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.15Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 3.43Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.8Å
28V96.3Very high93.6Very high85 Ų8596.4 Ų96.452%0.51550%0.498SS..Hα-helixtrans-67.6-38.3175.7169.40000111.4A24 R25 A31 L32A24-V28 WeakPolarHBondContact O-CG2 3.39Å; A24-V28 PolarHBondContact O-N 3.42Å; R25-V28 PolarHBondContact O-N 2.87Å; V28-A31 PolarHBondContact O-N 3.42Å; V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 HydrophobicContact CG1-CG 4.38Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.41Å
29I94.7Very high93.2Very high70 Ų7095.4 Ų95.436%0.35950%0.496SS..Hα-helixtrans-65.2-39.8175.3-72.2165.6000110.7R25 D26 K33R25-I29 WeakPolarHBondContact O-CB 3.27Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.11Å; D26-I29 PolarHBondContact O-N 3.05Å; I29-K33 HydrophobicContact CG2-CD 3.9Å; I29-K33 VanDerWaalsContact CG2-CE 3.42Å; I29-K33 VanDerWaalsContact CG2-NZ 3.3Å; I29-K33 VanDerWaalsContact O-CB 3.29Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 WeakPolarHBondContact O-CD 3.27Å; I29-K33 WeakPolarHBondContact O-CG 3.4Å; I29-K33 PolarHBondContact O-N 2.93Å
30E95.7Very high92.7Very high124 Ų12494.7 Ų94.758%0.57949%0.491SS*.Hα-helixtrans-66.7-45.1174.4-178.6161.5-148.600111.7D26 L27 L32 K33 A34D26-E30 WeakPolarHBondContact O-CB 3.35Å; D26-E30 PolarHBondContact O-N 3.34Å; L27-E30 PolarHBondContact O-N 3.43Å; E30-L32 PolarHBondContact O-N 3.47Å; E30-K33 CarbonylContact O-C 3.55Å; E30-K33 PolarHBondContact O-N 3.12Å; E30-K33 VanDerWaalsContact O-N 3.17Å; E30-A34 PolarHBondContact O-N 3.5Å
31A94Very high92Very high60 Ų6097.4 Ų97.450%0.49650%0.497SS..Hα-helixtrans-59.3-45.517600000112.1L27 V28 A34 Q35L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.8Å; V28-A31 PolarHBondContact O-N 3.42Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 2.91Å; A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.17Å
32L94.5Very high91.2Very high98 Ų98100.3 Ų100.351%0.51351%0.51SS..Hα-helixtrans-66.5-35.3175.3-70.4170.8000112.2V28 E30 A34 N36V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 HydrophobicContact CG1-CG 4.38Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.41Å; E30-L32 PolarHBondContact O-N 3.47Å; L32-A34 VanDerWaalsContact C-N 3.35Å; L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 2.78Å
33K92.8Very high90.5Very high128 Ų128101.5 Ų101.556%0.55751%0.513SS*.Hα-helixtrans-69.8-28172.3-77.1167.8-179167.70112.9I29 E30 R37I29-K33 HydrophobicContact CG2-CD 3.9Å; I29-K33 VanDerWaalsContact CG2-CE 3.42Å; I29-K33 VanDerWaalsContact CG2-NZ 3.3Å; I29-K33 VanDerWaalsContact O-CB 3.29Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 WeakPolarHBondContact O-CD 3.27Å; I29-K33 WeakPolarHBondContact O-CG 3.4Å; I29-K33 PolarHBondContact O-N 2.93Å; E30-K33 CarbonylContact O-C 3.55Å; E30-K33 PolarHBondContact O-N 3.12Å; E30-K33 VanDerWaalsContact O-N 3.17Å; K33-R37 VanDerWaalsContact O-CG 3.32Å; K33-R37 WeakPolarHBondContact O-CG 3.2Å; K33-R37 PolarHBondContact O-N 2.84Å; K33-R37 PolarHBondContact O-NE 2.81Å
34A91.2Very high89.2Confident32 Ų32102 Ų10226%0.26451%0.51SS..Hα-helixtrans-72-57.3171.100000109.8E30 A31 L32 N36 R37 D38E30-A34 PolarHBondContact O-N 3.5Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 2.91Å; L32-A34 VanDerWaalsContact C-N 3.35Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 3.31Å; A34-R37 WeakPolarHBondContact O-CA 3.27Å; A34-R37 WeakPolarHBondContact O-CB 3.5Å; A34-R37 PolarHBondContact O-N 3.18Å; A34-D38 PolarHBondContact O-N 2.72Å
35Q90.9Very high88Confident122 Ų122103.6 Ų103.657%0.5751%0.505SS*.Hα-helixtrans-51.9-45.9178-172.9-179.29.800112.4A31 R37 D38 T39A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.17Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.86Å; Q35-D38 PolarHBondContact O-N 2.79Å; Q35-T39 PolarHBondContact O-N 2.77Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; Q35-T39 VanDerWaalsContact O-OG1 3.04Å
36N90.1Very high86.8Confident115 Ų11599.7 Ų99.762%0.61551%0.508SS*.Hα-helixtrans-72-24.9-180-161.717.1000113.2L32 A34 F40L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 2.78Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 3.31Å; N36-F40 WeakPolarHBondContact O-CB 3.48Å; N36-F40 PolarHBondContact O-N 2.8Å; N36-F40 VanDerWaalsContact O-N 3.09Å
37R86.7Confident85.7Confident144 Ų144103 Ų10354%0.54352%0.518SS..Hα-helixtrans-69-44.7168.1-83.6177-72.8162.2-4110.6K33 A34 Q35 F40 I41K33-R37 VanDerWaalsContact O-CG 3.32Å; K33-R37 WeakPolarHBondContact O-CG 3.2Å; K33-R37 PolarHBondContact O-N 2.84Å; K33-R37 PolarHBondContact O-NE 2.81Å; A34-R37 WeakPolarHBondContact O-CA 3.27Å; A34-R37 WeakPolarHBondContact O-CB 3.5Å; A34-R37 PolarHBondContact O-N 3.18Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.86Å; R37-F40 PolarHBondContact O-N 3.37Å; R37-I41 WeakPolarHBondContact O-CB 3.25Å; R37-I41 WeakPolarHBondContact O-CD1 3.38Å; R37-I41 VanDerWaalsContact O-CG1 3.24Å; R37-I41 WeakPolarHBondContact O-CG1 3.27Å; R37-I41 PolarHBondContact O-N 2.61Å
38D85Confident84.5Confident101 Ų101100 Ų10054%0.5450%0.498SS..Hα-helixtrans-66.7-45-178.6-60.2-28.6000110.7A34 Q35 F40 I41 E42A34-D38 PolarHBondContact O-N 2.72Å; Q35-D38 PolarHBondContact O-N 2.79Å; D38-F40 PolarHBondContact O-N 3.38Å; D38-I41 PolarHBondContact O-N 2.81Å; D38-E42 WeakPolarHBondContact O-CB 3.33Å; D38-E42 PolarHBondContact O-N 2.95Å
39T85.1Confident83.3Confident63 Ų63100.9 Ų100.939%0.38750%0.5SS..Hα-helixtrans-58.9-44.9172-56.50000112.2Q35 I41 E42 E43Q35-T39 PolarHBondContact O-N 2.77Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; Q35-T39 VanDerWaalsContact O-OG1 3.04Å; T39-I41 VanDerWaalsContact C-N 3.29Å; T39-I41 PolarHBondContact O-N 2.59Å; T39-E42 PolarHBondContact O-N 3.29Å; T39-E42 VanDerWaalsContact O-N 3.17Å; T39-E43 HydrophobicContact CG2-CG 4.43Å; T39-E43 PolarHBondContact O-N 2.88Å
40F84.3Confident82Confident100 Ų100105.1 Ų105.144%0.43952%0.522SS..Hα-helixtrans-63.6-34.9177.2174.7-100.3000112.6N36 R37 D38 R44N36-F40 WeakPolarHBondContact O-CB 3.48Å; N36-F40 PolarHBondContact O-N 2.8Å; N36-F40 VanDerWaalsContact O-N 3.09Å; R37-F40 PolarHBondContact O-N 3.37Å; D38-F40 PolarHBondContact O-N 3.38Å; F40-R44 HydrophobicContact CE2-CG 4.43Å; F40-R44 PolarHBondContact O-N 2.87Å
41I81.5Confident80.9Confident90 Ų90104.3 Ų104.346%0.46253%0.53SS..Hα-helixtrans-70.2-40.5173.4-70.4165000110.2R37 D38 T39 Y45 G46R37-I41 WeakPolarHBondContact O-CB 3.25Å; R37-I41 WeakPolarHBondContact O-CD1 3.38Å; R37-I41 VanDerWaalsContact O-CG1 3.24Å; R37-I41 WeakPolarHBondContact O-CG1 3.27Å; R37-I41 PolarHBondContact O-N 2.61Å; D38-I41 PolarHBondContact O-N 2.81Å; T39-I41 VanDerWaalsContact C-N 3.29Å; T39-I41 PolarHBondContact O-N 2.59Å; I41-Y45 HydrophobicContact CG2-CD2 4.24Å; I41-Y45 WeakPolarHBondContact O-CA 3.46Å; I41-Y45 VanDerWaalsContact O-CB 3.27Å; I41-Y45 WeakPolarHBondContact O-CB 3.44Å; I41-Y45 PolarHBondContact O-N 3.47Å; I41-G46 PolarHBondContact O-N 2.86Å
42E80.1Confident80.2Confident144 Ų144104.4 Ų104.467%0.67352%0.522SS*.Iπ-helixtrans-66.4-45.6177.9-165.9174.1110.800112.3D38 T39 R44 G46D38-E42 WeakPolarHBondContact O-CB 3.33Å; D38-E42 PolarHBondContact O-N 2.95Å; T39-E42 PolarHBondContact O-N 3.29Å; T39-E42 VanDerWaalsContact O-N 3.17Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.3Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.34Å; E42-G46 PolarHBondContact O-N 3.4Å
43E79.5Confident79.2Confident127 Ų127104.8 Ų104.859%0.59353%0.531SS*.Iπ-helixtrans-62.3-37.5178.8-76.5-162.2133.300113.5T39 K47T39-E43 HydrophobicContact CG2-CG 4.43Å; T39-E43 PolarHBondContact O-N 2.88Å; E43-K47 WeakPolarHBondContact O-CE 3.48Å; E43-K47 PolarHBondContact O-NZ 3.43Å
44R70.3Confident78.5Confident133 Ų133104.5 Ų104.550%0.50254%0.535SS..Iπ-helixtrans-89.3-34.1-179.2-68.1-135.1-61.4-170.8-0114F40 E42 Y48F40-R44 HydrophobicContact CE2-CG 4.43Å; F40-R44 PolarHBondContact O-N 2.87Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.3Å; R44-Y48 WeakPolarHBondContact O-CE2 3.41Å
45Y70Confident77.9Confident90 Ų90106.3 Ų106.335%0.35354%0.538SS..Iπ-helixtrans-123.7-23.1-169.5-52.7-67.7000114.3I41 K47 Y48I41-Y45 HydrophobicContact CG2-CD2 4.24Å; I41-Y45 WeakPolarHBondContact O-CA 3.46Å; I41-Y45 VanDerWaalsContact O-CB 3.27Å; I41-Y45 WeakPolarHBondContact O-CB 3.44Å; I41-Y45 PolarHBondContact O-N 3.47Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-K47 VanDerWaalsContact O-N 3.16Å; Y45-Y48 PolarHBondContact O-N 3.44Å
46G70.4Confident77.2Confident57 Ų57102 Ų10259%0.58852%0.523SS*.Iπ-helixtrans-63.5-18.3176.700000114.5I41 E42 Y48I41-G46 PolarHBondContact O-N 2.86Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.34Å; E42-G46 PolarHBondContact O-N 3.4Å; G46-Y48 PolarHBondContact O-N 3.34Å
47K70.6Confident76.5Confident162 Ų162102.2 Ų102.270%0.70452%0.524SS*.THydrogen-bonded Turntrans-68.8-18.2169.6-66.2168.6-177.2146.20113.6E43 Y45E43-K47 WeakPolarHBondContact O-CE 3.48Å; E43-K47 PolarHBondContact O-NZ 3.43Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-K47 VanDerWaalsContact O-N 3.16Å
48Y70.7Confident76Confident54 Ų5499.3 Ų99.321%0.21252%0.517CS..SBendtrans-111.7115.5-177.1-57.3-84.7000109.7R44 Y45 G46 I50 M55 R59R44-Y48 WeakPolarHBondContact O-CE2 3.41Å; Y45-Y48 PolarHBondContact O-N 3.44Å; G46-Y48 PolarHBondContact O-N 3.34Å; Y48-I50 PolarHBondContact O-N 2.83Å; Y48-I50 VanDerWaalsContact O-N 3.15Å; Y48-M55 HydrophobicContact CD1-CB 4.14Å; Y48-M55 WeakPolarHBondContact CD1-O 3.44Å; Y48-M55 HydrophobicContact CD1-SD 4.25Å; Y48-R59 HydrophobicContact CD1-CB 4.31Å; Y48-R59 HydrophobicContact CE1-CB 3.99Å; Y48-R59 HydrophobicContact CE2-CB 4.45Å; Y48-R59 HydrophobicContact CE2-CG 4.44Å
49N70.9Confident75.6Confident105 Ų10598.7 Ų98.756%0.56151%0.507SS*.  trans-68.4114.8171.2-172.5-19.2000109.2S51 D52N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 VanDerWaalsContact O-N 3.11Å; N49-S51 WeakPolarHBondContact OD1-CB 3.46Å; N49-S51 PolarHBondContact OD1-N 2.69Å; N49-D52 HydrophobicContact CB-CB 4.43Å; N49-D52 PolarHBondContact O-N 3.45Å
50I67.5Low75.1Confident159 Ų15999 Ų9982%0.81551%0.506SS*.THydrogen-bonded Turntrans-63.1-18.8-177.6-61.2167.7000111.8Y48Y48-I50 PolarHBondContact O-N 2.83Å; Y48-I50 VanDerWaalsContact O-N 3.15Å
51S72.4Confident74.5Confident107 Ų107100.6 Ų100.675%0.74851%0.513SS*.THydrogen-bonded Turntrans-84.2-3172.9-54.70000114.8N49N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 VanDerWaalsContact O-N 3.11Å; N49-S51 WeakPolarHBondContact OD1-CB 3.46Å; N49-S51 PolarHBondContact OD1-N 2.69Å
52D79.4Confident74.1Confident61 Ų61100.5 Ų100.533%0.32651%0.511SS..  trans-104.1109.7173.9-179.91.5000111.2N49 L54 M55 A56N49-D52 HydrophobicContact CB-CB 4.43Å; N49-D52 PolarHBondContact O-N 3.45Å; D52-L54 PolarHBondContact O-N 3.17Å; D52-L54 WeakPolarHBondContact OD1-CB 3.49Å; D52-L54 PolarHBondContact OD1-N 2.98Å; D52-M55 HydrophobicContact CB-CB 4.18Å; D52-M55 HydrophobicContact CB-CG 4.29Å; D52-M55 PolarHBondContact O-N 3.36Å; D52-M55 VanDerWaalsContact OD2-CG 3.26Å; D52-M55 WeakPolarHBondContact OD2-CG 3.34Å; D52-A56 PolarHBondContact O-N 2.91Å
53P74.9Confident73.4Confident106 Ų10697.2 Ų97.269%0.68850%0.501SS*.Hα-helixtrans-59.7-28.5177.6-24.134.7000114.5L57P53-L57 PolarHBondContact O-N 2.85Å; P53-L57 VanDerWaalsContact O-N 3.13Å
54L77.2Confident72.8Confident123 Ų12396.5 Ų96.564%0.64450%0.5SS*.Hα-helixtrans-72.7-40.9-177-162.973.1000111D52 L57 Q58D52-L54 PolarHBondContact O-N 3.17Å; D52-L54 WeakPolarHBondContact OD1-CB 3.49Å; D52-L54 PolarHBondContact OD1-N 2.98Å; L54-L57 PolarHBondContact O-N 3.45Å; L54-Q58 PolarHBondContact O-N 2.97Å; L54-Q58 VanDerWaalsContact O-N 3.07Å
55M78.3Confident72.3Confident69 Ų6998 Ų9834%0.3451%0.51SS..Hα-helixtrans-66.3-38.1174.9-75.9-73.399.400112.6Y48 D52 L57 Q58 R59Y48-M55 HydrophobicContact CD1-CB 4.14Å; Y48-M55 WeakPolarHBondContact CD1-O 3.44Å; Y48-M55 HydrophobicContact CD1-SD 4.25Å; D52-M55 HydrophobicContact CB-CB 4.18Å; D52-M55 HydrophobicContact CB-CG 4.29Å; D52-M55 PolarHBondContact O-N 3.36Å; D52-M55 VanDerWaalsContact OD2-CG 3.26Å; D52-M55 WeakPolarHBondContact OD2-CG 3.34Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-Q58 HydrophobicContact CE-CB 4.49Å; M55-Q58 PolarHBondContact O-N 3.31Å; M55-R59 PolarHBondContact O-N 3.43Å
56A75.9Confident71.7Confident31 Ų31101.9 Ų101.926%0.25653%0.532SS..Hα-helixtrans-62.5-40.6172.200000112.3D52 R59 D60D52-A56 PolarHBondContact O-N 2.91Å; A56-R59 PolarHBondContact O-N 3.27Å; A56-D60 PolarHBondContact O-N 3.42Å
57L77Confident71Confident121 Ų121107.3 Ų107.363%0.63454%0.539SS*.Hα-helixtrans-68.8-36.2179.8-154.175.4000112.6P53 L54 M55 D60 F61P53-L57 PolarHBondContact O-N 2.85Å; P53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.45Å; M55-L57 VanDerWaalsContact C-N 3.34Å; L57-D60 PolarHBondContact O-N 3.29Å; L57-F61 PolarHBondContact O-N 3.01Å
58Q76.2Confident69.9Low83 Ų83105.2 Ų105.239%0.38854%0.536SS..Hα-helixtrans-61.5-46.9175.4-177.964.726.900111.8L54 M55 D60 F61 E62L54-Q58 PolarHBondContact O-N 2.97Å; L54-Q58 VanDerWaalsContact O-N 3.07Å; M55-Q58 HydrophobicContact CE-CB 4.49Å; M55-Q58 PolarHBondContact O-N 3.31Å; Q58-D60 VanDerWaalsContact C-N 3.29Å; Q58-D60 PolarHBondContact O-N 3Å; Q58-F61 PolarHBondContact O-N 3.46Å; Q58-E62 PolarHBondContact NE2-OE1 3.46Å; Q58-E62 PolarHBondContact O-N 3.01Å
59R75.7Confident69Low88 Ų88111.1 Ų111.133%0.33257%0.571SS.*Hα-helixtrans-54.6-44.6174.9178.6-157.270.5-163.2-5.7112Y48 M55 A56 E62 T63Y48-R59 HydrophobicContact CD1-CB 4.31Å; Y48-R59 HydrophobicContact CE1-CB 3.99Å; Y48-R59 HydrophobicContact CE2-CB 4.45Å; Y48-R59 HydrophobicContact CE2-CG 4.44Å; M55-R59 PolarHBondContact O-N 3.43Å; A56-R59 PolarHBondContact O-N 3.27Å; R59-E62 PolarHBondContact O-N 2.7Å; R59-T63 WeakPolarHBondContact O-CB 3.3Å; R59-T63 PolarHBondContact O-N 3.11Å; R59-T63 PolarHBondContact O-OG1 3.46Å
60D73.4Confident68Low68 Ų68109.1 Ų109.136%0.36458%0.575SS.*Hα-helixtrans-72.8-33.6-176.3-67.8-10.9000111.8A56 L57 Q58 L64A56-D60 PolarHBondContact O-N 3.42Å; L57-D60 PolarHBondContact O-N 3.29Å; Q58-D60 VanDerWaalsContact C-N 3.29Å; Q58-D60 PolarHBondContact O-N 3Å; D60-L64 WeakPolarHBondContact O-CG 3.38Å; D60-L64 PolarHBondContact O-N 2.85Å; D60-L64 VanDerWaalsContact O-N 3.08Å
61F72.9Confident67Low134 Ų134110.7 Ų110.759%0.58858%0.579SS**Hα-helixtrans-64.6-43.6171.8-179-100.8000112.6L57 Q58 L64 K65L57-F61 PolarHBondContact O-N 3.01Å; Q58-F61 PolarHBondContact O-N 3.46Å; F61-L64 PolarHBondContact O-N 2.87Å; F61-K65 PolarHBondContact O-N 3.22Å
62E73.1Confident66.1Low89 Ų89115.7 Ų115.742%0.41659%0.587SS.*Hα-helixtrans-65.1-41.6176.4-72.5175.5-163.400111.6Q58 R59 L64 K65Q58-E62 PolarHBondContact NE2-OE1 3.46Å; Q58-E62 PolarHBondContact O-N 3.01Å; R59-E62 PolarHBondContact O-N 2.7Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.11Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 3.13Å
63T66.1Low64.4Low75 Ų75121.3 Ų121.346%0.4661%0.611SS.*Hα-helixtrans-63.4-31.4176.5-52.20000112.8R59 K65R59-T63 WeakPolarHBondContact O-CB 3.3Å; R59-T63 PolarHBondContact O-N 3.11Å; R59-T63 PolarHBondContact O-OG1 3.46Å; T63-K65 VanDerWaalsContact C-N 3.33Å
64L65.6Low63.2Low112 Ų112121.3 Ų121.359%0.58661%0.611SS**Hα-helixtrans-72.3-25.6173.9-84.4163.8000113.3D60 F61 E62 N68D60-L64 WeakPolarHBondContact O-CG 3.38Å; D60-L64 PolarHBondContact O-N 2.85Å; D60-L64 VanDerWaalsContact O-N 3.08Å; F61-L64 PolarHBondContact O-N 2.87Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.11Å; L64-N68 PolarHBondContact O-ND2 3.29Å
65K59.8Low62Low163 Ų163122.9 Ų122.971%0.70963%0.625SS**Hα-helixtrans-76.2-34.8-176.3-165.6-178.6176.7-171.10112.8F61 E62 T63 K67F61-K65 PolarHBondContact O-N 3.22Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 3.13Å; T63-K65 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.87Å; K65-K67 VanDerWaalsContact O-N 3.15Å
66E57.6Low60.8Low173 Ų173125.2 Ų125.281%0.80865%0.648SS**THydrogen-bonded Turntrans-64.9-13.8179.3-70.6-167.1132.900114.9
67K56.4Low59.9Low171 Ų171128.8 Ų128.874%0.74367%0.666SS**THydrogen-bonded Turntrans-117.44.7-169.9-71.8-178177.8173.10115.8K65K65-K67 PolarHBondContact O-N 2.87Å; K65-K67 VanDerWaalsContact O-N 3.15Å
68N47Very low59.8Low118 Ų118127.4 Ų127.463%0.63166%0.66SS**  trans-135.568.4-173.3-67.5-83.3000112.5L64L64-N68 PolarHBondContact O-ND2 3.29Å
69D51.8Low60Low178 Ų178128.2 Ų128.295%0.95267%0.672SS**  trans-109.693.8163-160.210.7000109
70G49.6Very low60.4Low62 Ų62129.3 Ų129.364%0.63968%0.684SS**SBendtrans150.3112.5-172.900000114.1
71E46.2Very low60.9Low192 Ų192128.7 Ų128.790%0.89769%0.685SS**  trans45.9100.2160.8-57.1-162.8137.900119.8
72K53.9Low61.5Low213 Ų213126.3 Ų126.393%0.92668%0.677SS**  trans-96.9116.7148.3-69.4-179.1-179.2176.40109.5
73Q44.3Very low62.4Low179 Ų179126.5 Ų126.584%0.83668%0.681SS**  trans-138.8142.5169-107.9-80.8-44.700109.8
74P49Very low63.5Low106 Ų106130.2 Ų130.269%0.68869%0.69SS**  trans-99.1179-157.738.5-34.8000115.4C76P74-C76 PolarHBondContact O-N 2.9Å
75V52.8Low64.7Low155 Ų155129.3 Ų129.394%0.93969%0.689SS**SBendtrans-73.290-169.6-174.40000112.9
76C51.6Low66.3Low119 Ų119124.7 Ų124.780%0.80468%0.675SS**  trans-157103.4154.9-172.90000111P74 N78P74-C76 PolarHBondContact O-N 2.9Å; C76-N78 PolarHBondContact O-N 2.72Å
77T58.3Low68.1Low106 Ų106122.3 Ų122.365%0.6567%0.665SS**  trans-86.6107.2-174.1430000113.1
78N74.9Confident69.9Low92 Ų92121.1 Ų121.149%0.49266%0.66SS.*  trans-62.5131.7167.4-177.8-43.1000110.1C76 L80 S81 I82C76-N78 PolarHBondContact O-N 2.72Å; N78-L80 PolarHBondContact O-N 3.09Å; N78-L80 VanDerWaalsContact O-N 3.1Å; N78-L80 WeakPolarHBondContact OD1-CB 3.32Å; N78-L80 PolarHBondContact OD1-N 2.66Å; N78-S81 PolarHBondContact O-N 3.14Å; N78-S81 PolarHBondContact O-OG 3.18Å; N78-I82 PolarHBondContact O-N 2.9Å
79P79.4Confident72.2Confident99 Ų99121.3 Ų121.364%0.64366%0.657SS**Hα-helixtrans-58.6-28.4-178.222.5-33.7000113.6I82 L83P79-I82 PolarHBondContact O-N 2.77Å; P79-L83 PolarHBondContact O-N 3.02Å
80L84.7Confident74.2Confident111 Ų111116.5 Ų116.558%0.58164%0.636SS**Hα-helixtrans-72.9-25.2176-62.8173.9000113.3N78 K84N78-L80 PolarHBondContact O-N 3.09Å; N78-L80 VanDerWaalsContact O-N 3.1Å; N78-L80 WeakPolarHBondContact OD1-CB 3.32Å; N78-L80 PolarHBondContact OD1-N 2.66Å; L80-K84 WeakPolarHBondContact O-CB 3.12Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 3.03Å; L80-K84 VanDerWaalsContact O-N 3.15Å
81S83.8Confident76.4Confident55 Ų55120.2 Ų120.239%0.38564%0.635SS.*Hα-helixtrans-76.6-39.4172.967.30000111N78 L83 K84 V85N78-S81 PolarHBondContact O-N 3.14Å; N78-S81 PolarHBondContact O-OG 3.18Å; S81-L83 PolarHBondContact O-N 3.1Å; S81-K84 PolarHBondContact O-N 2.84Å; S81-V85 WeakPolarHBondContact O-CG2 3.49Å; S81-V85 PolarHBondContact O-N 3.21Å
82I86.3Confident78.7Confident84 Ų84113.9 Ų113.943%0.43161%0.607SS.*Hα-helixtrans-57.5-50.2171.4-55.1176.7000110.1N78 P79 K84 V85 V86N78-I82 PolarHBondContact O-N 2.9Å; P79-I82 PolarHBondContact O-N 2.77Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 2.71Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-V85 VanDerWaalsContact O-N 3.13Å; I82-V86 HydrophobicContact CG2-CG2 4.43Å; I82-V86 WeakPolarHBondContact O-CG2 3.12Å; I82-V86 PolarHBondContact O-N 3.34Å
83L90.6Very high80.7Confident94 Ų94109.4 Ų109.449%0.49259%0.591SS.*Hα-helixtrans-59.8-41.9179.2-178.460.1000112.4P79 S81 V85 V86 M87P79-L83 PolarHBondContact O-N 3.02Å; S81-L83 PolarHBondContact O-N 3.1Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.91Å; L83-V86 PolarHBondContact O-N 3.11Å; L83-M87 HydrophobicContact CD1-CG 4.21Å; L83-M87 HydrophobicContact CD1-SD 4.39Å; L83-M87 HydrophobicContact CG-CG 4.43Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.31Å; L83-M87 WeakPolarHBondContact O-CG 3.2Å; L83-M87 PolarHBondContact O-N 3.29Å
84K90.3Very high83.2Confident152 Ų152107.2 Ų107.266%0.66158%0.581SS**Hα-helixtrans-61.7-39.7174.8-77171.9-179.9-178.50112.6L80 S81 I82 K88L80-K84 WeakPolarHBondContact O-CB 3.12Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 3.03Å; L80-K84 VanDerWaalsContact O-N 3.15Å; S81-K84 PolarHBondContact O-N 2.84Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 2.71Å; K84-K88 WeakPolarHBondContact O-CB 3.23Å; K84-K88 PolarHBondContact O-N 2.97Å
85V91Very high85.5Confident93 Ų93107.7 Ų107.756%0.56457%0.574SS**Hα-helixtrans-65.1-46.1175.2171.30000110.8S81 I82 L83 K88 Q89S81-V85 WeakPolarHBondContact O-CG2 3.49Å; S81-V85 PolarHBondContact O-N 3.21Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-V85 VanDerWaalsContact O-N 3.13Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.91Å; V85-K88 PolarHBondContact O-N 3.35Å; V85-Q89 WeakPolarHBondContact O-CB 3.47Å; V85-Q89 PolarHBondContact O-N 3.11Å
86V93.7Very high87.6Confident67 Ų67107.7 Ų107.741%0.40656%0.557SS.*Hα-helixtrans-62.7-45177.3174.30000111.4I82 L83 K88 Q89 C90I82-V86 HydrophobicContact CG2-CG2 4.43Å; I82-V86 WeakPolarHBondContact O-CG2 3.12Å; I82-V86 PolarHBondContact O-N 3.34Å; L83-V86 PolarHBondContact O-N 3.11Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.87Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.16Å; V86-C90 PolarHBondContact O-N 3.33Å; V86-C90 PolarHBondContact O-SG 3.02Å; V86-C90 VanDerWaalsContact O-SG 3.33Å
87M94.3Very high89.8Confident123 Ų123107.1 Ų107.161%0.60654%0.544SS*.Hα-helixtrans-60.8-41.6175.7-71.9179.47400112.2L83 C90 K91L83-M87 HydrophobicContact CD1-CG 4.21Å; L83-M87 HydrophobicContact CD1-SD 4.39Å; L83-M87 HydrophobicContact CG-CG 4.43Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.31Å; L83-M87 WeakPolarHBondContact O-CG 3.2Å; L83-M87 PolarHBondContact O-N 3.29Å; M87-C90 PolarHBondContact O-N 3.31Å; M87-K91 PolarHBondContact O-N 3.03Å
88K94.2Very high91.6Very high145 Ų145107.8 Ų107.863%0.6354%0.543SS*.Hα-helixtrans-62.8-42.6173.6-174.8178.2-179.8-179.40111.3K84 V85 V86 K91 N92K84-K88 WeakPolarHBondContact O-CB 3.23Å; K84-K88 PolarHBondContact O-N 2.97Å; V85-K88 PolarHBondContact O-N 3.35Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.87Å; K88-K91 PolarHBondContact O-N 2.83Å; K88-N92 VanDerWaalsContact O-CB 3.29Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 3.42Å; K88-N92 PolarHBondContact O-OD1 3.41Å; K88-N92 VanDerWaalsContact O-OD1 3.14Å
89Q94.6Very high92.7Very high123 Ų123107 Ų10758%0.57554%0.544SS*.Hα-helixtrans-65-43.3177.6-174.9173-6.400112.2V85 V86 N92 M93V85-Q89 WeakPolarHBondContact O-CB 3.47Å; V85-Q89 PolarHBondContact O-N 3.11Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.16Å; Q89-N92 PolarHBondContact O-N 2.85Å; Q89-M93 WeakPolarHBondContact O-CB 3.35Å; Q89-M93 PolarHBondContact O-N 3.49Å
90C94.1Very high93.5Very high77 Ų77108.9 Ų108.952%0.5254%0.544SS..Hα-helixtrans-63.2-45.1175.5-68.70000112V86 M87 M93 Q94V86-C90 PolarHBondContact O-N 3.33Å; V86-C90 PolarHBondContact O-SG 3.02Å; V86-C90 VanDerWaalsContact O-SG 3.33Å; M87-C90 PolarHBondContact O-N 3.31Å; C90-M93 PolarHBondContact O-N 3.23Å; C90-Q94 PolarHBondContact O-N 3.03Å
91K96Very high94.2Very high139 Ų139108.6 Ų108.660%0.60454%0.543SS*.Hα-helixtrans-60.7-47.6174.9-173.1-178176.9-174.20111.3M87 K88 M93 Q94 E95M87-K91 PolarHBondContact O-N 3.03Å; K88-K91 PolarHBondContact O-N 2.83Å; K91-M93 PolarHBondContact O-N 3.26Å; K91-Q94 PolarHBondContact O-N 2.88Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 2.91Å
92N95.6Very high94.8Very high59 Ų59108.5 Ų108.532%0.31655%0.546SS..Hα-helixtrans-62.8-29177.9-69.65.7000112.6K88 Q89 R96K88-N92 VanDerWaalsContact O-CB 3.29Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 3.42Å; K88-N92 PolarHBondContact O-OD1 3.41Å; K88-N92 VanDerWaalsContact O-OD1 3.14Å; Q89-N92 PolarHBondContact O-N 2.85Å; N92-R96 WeakPolarHBondContact O-CG 3.4Å; N92-R96 PolarHBondContact O-N 3.12Å
93M96.2Very high95.4Very high119 Ų119106.5 Ų106.559%0.58654%0.542SS*.Hα-helixtrans-74.4-46.3173.9-174.963.581.500111.4Q89 C90 K91 E95 R96 M97Q89-M93 WeakPolarHBondContact O-CB 3.35Å; Q89-M93 PolarHBondContact O-N 3.49Å; C90-M93 PolarHBondContact O-N 3.23Å; K91-M93 PolarHBondContact O-N 3.26Å; M93-E95 VanDerWaalsContact C-N 3.3Å; M93-E95 PolarHBondContact O-N 3.42Å; M93-R96 PolarHBondContact O-N 3.04Å; M93-M97 WeakPolarHBondContact O-CB 3.44Å; M93-M97 PolarHBondContact O-N 3.45Å
94Q96.5Very high95.7Very high133 Ų133103.1 Ų103.162%0.62153%0.528SS*.Hα-helixtrans-57.9-43.3176.1-176.7-176.35.900111.6C90 K91 M97 L98C90-Q94 PolarHBondContact O-N 3.03Å; K91-Q94 PolarHBondContact O-N 2.88Å; Q94-M97 PolarHBondContact O-N 3.49Å; Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 PolarHBondContact O-N 2.7Å
95E96.8Very high96.1Very high116 Ų116100.9 Ų100.954%0.54252%0.519SS..Hα-helixtrans-63-49.3177.3-173.4168.2-167.700111.7K91 M93 M97 L98 S99K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 2.91Å; M93-E95 VanDerWaalsContact C-N 3.3Å; M93-E95 PolarHBondContact O-N 3.42Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.86Å; E95-L98 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-N 3.08Å; E95-S99 PolarHBondContact O-OG 3.19Å; E95-S99 VanDerWaalsContact O-OG 3.09Å
96R96.8Very high96.5Very high156 Ų156100.1 Ų100.159%0.58952%0.518SS*.Hα-helixtrans-58.5-43.1174.2-72.4172.8-155.6-162.63112.6N92 M93 L98 S99 Q100N92-R96 WeakPolarHBondContact O-CG 3.4Å; N92-R96 PolarHBondContact O-N 3.12Å; M93-R96 PolarHBondContact O-N 3.04Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-S99 PolarHBondContact O-N 3.24Å; R96-Q100 WeakPolarHBondContact O-CB 3.46Å; R96-Q100 VanDerWaalsContact O-CG 3.27Å; R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.35Å
97M96.9Very high96.7Very high107 Ų107103.8 Ų103.853%0.52753%0.525SS..Hα-helixtrans-63-41.6178.5-175.4-179.57700111.1M93 Q94 E95 Q100 L101M93-M97 WeakPolarHBondContact O-CB 3.44Å; M93-M97 PolarHBondContact O-N 3.45Å; Q94-M97 PolarHBondContact O-N 3.49Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.86Å; M97-Q100 PolarHBondContact O-N 3.15Å; M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 2.82Å
98L97.1Very high96.9Very high120 Ų120103.8 Ų103.863%0.62852%0.523SS*.Hα-helixtrans-65.5-43.2175.2-174.363.4000111.9Q94 E95 R96 Q100 L101 A102Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 PolarHBondContact O-N 2.7Å; E95-L98 PolarHBondContact O-N 3.45Å; R96-L98 VanDerWaalsContact C-N 3.34Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.01Å; L98-L101 PolarHBondContact O-N 3.46Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 3.23Å
99S97.2Very high97.1Very high75 Ų75103.4 Ų103.452%0.52452%0.517SS..Hα-helixtrans-62.5-39.1173.9-54.30000112.4E95 R96 A103E95-S99 PolarHBondContact O-N 3.08Å; E95-S99 PolarHBondContact O-OG 3.19Å; E95-S99 VanDerWaalsContact O-OG 3.09Å; R96-S99 PolarHBondContact O-N 3.24Å; S99-A103 VanDerWaalsContact O-CB 3.25Å; S99-A103 WeakPolarHBondContact O-CB 3.32Å; S99-A103 PolarHBondContact O-N 3Å
100Q97.7Very high97.3Very high138 Ų138103.5 Ų103.565%0.64552%0.516SS*.Hα-helixtrans-67.5-40.3176.3-75.7175.54.300112.1R96 M97 L98 A103 A104R96-Q100 WeakPolarHBondContact O-CB 3.46Å; R96-Q100 VanDerWaalsContact O-CG 3.27Å; R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.35Å; M97-Q100 PolarHBondContact O-N 3.15Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.01Å; Q100-A103 PolarHBondContact O-N 2.68Å; Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 2.97Å
101L97.8Very high97.5Very high105 Ų105103.7 Ų103.755%0.5551%0.514SS..Hα-helixtrans-61.7-51.2173.1-79.6163.4000111.3M97 L98 A103 A104 E105M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3.46Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 2.91Å; L101-A104 VanDerWaalsContact O-N 3.1Å; L101-E105 WeakPolarHBondContact O-CB 3.25Å; L101-E105 PolarHBondContact O-N 3.38Å
102A97.8Very high97.6Very high54 Ų54101.4 Ų101.445%0.44651%0.508SS..Hα-helixtrans-60.4-39.4177.600000112.3L98 S106L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 3.23Å; A102-S106 VanDerWaalsContact O-CB 3.27Å; A102-S106 WeakPolarHBondContact O-CB 3.32Å; A102-S106 PolarHBondContact O-N 2.85Å
103A97.7Very high97.7Very high42 Ų42103.3 Ų103.335%0.34752%0.518SS..Hα-helixtrans-68.4-35.2174.800000112.7S99 Q100 L101 R107S99-A103 VanDerWaalsContact O-CB 3.25Å; S99-A103 WeakPolarHBondContact O-CB 3.32Å; S99-A103 PolarHBondContact O-N 3Å; Q100-A103 PolarHBondContact O-N 2.68Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 2.93Å; A103-R107 VanDerWaalsContact C-NH1 3.34Å; A103-R107 WeakPolarHBondContact O-CG 3.08Å; A103-R107 PolarHBondContact O-N 2.87Å; A103-R107 VanDerWaalsContact O-N 3.08Å; A103-R107 PolarHBondContact O-NH1 3.46Å; A103-R107 VanDerWaalsContact O-NH1 3.1Å
104A98.2Very high97.8Very high23 Ų23101 Ų10119%0.1951%0.507CS..Hα-helixtrans-69-45.2174.300000111.6Q100 L101 S106 R107 H108Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 2.97Å; L101-A104 PolarHBondContact O-N 2.91Å; L101-A104 VanDerWaalsContact O-N 3.1Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.92Å; A104-R107 PolarHBondContact O-N 3.27Å; A104-H108 PolarHBondContact O-CD2 3.1Å; A104-H108 VanDerWaalsContact O-CG 3.28Å; A104-H108 PolarHBondContact O-N 2.68Å
105E98.2Very high97.9Very high105 Ų105100 Ų10049%0.49151%0.506SS..Hα-helixtrans-59.7-43.4174.7-167.5-156.5122.200111.5L101 H108 R109L101-E105 WeakPolarHBondContact O-CB 3.25Å; L101-E105 PolarHBondContact O-N 3.38Å; E105-H108 PolarHBondContact O-N 2.86Å; E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.96Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NH1 2.73Å; E105-R109 PolarHBondContact OE1-NH1 3.27Å; E105-R109 IonicContact OE1-NH2 2.71Å; E105-R109 PolarHBondContact OE1-NH2 2.84Å
106S98.4Very high97.9Very high76 Ų7698.8 Ų98.853%0.53150%0.5SS..Hα-helixtrans-59.5-46.4174.1178.60000112.1A102 A104 K110A102-S106 VanDerWaalsContact O-CB 3.27Å; A102-S106 WeakPolarHBondContact O-CB 3.32Å; A102-S106 PolarHBondContact O-N 2.85Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.92Å; S106-K110 PolarHBondContact O-N 3.49Å
107R98.3Very high98Very high145 Ų14596.4 Ų96.455%0.54750%0.496SS..Hα-helixtrans-62.9-44.7175-72.6-172.2-52.6-85.74112.2A103 A104 K110 V111A103-R107 VanDerWaalsContact C-NH1 3.34Å; A103-R107 WeakPolarHBondContact O-CG 3.08Å; A103-R107 PolarHBondContact O-N 2.87Å; A103-R107 VanDerWaalsContact O-N 3.08Å; A103-R107 PolarHBondContact O-NH1 3.46Å; A103-R107 VanDerWaalsContact O-NH1 3.1Å; A104-R107 PolarHBondContact O-N 3.27Å; R107-K110 PolarHBondContact O-N 3.33Å; R107-V111 WeakPolarHBondContact O-CG2 3.42Å; R107-V111 PolarHBondContact O-N 3.04Å
108H98.4Very high98.1Very high123 Ų12394.7 Ų94.757%0.56949%0.486SS*.Hα-helixtrans-65.3-43179.7-68-177.6000111.5A104 E105 K110 V111 I112A104-H108 PolarHBondContact O-CD2 3.1Å; A104-H108 VanDerWaalsContact O-CG 3.28Å; A104-H108 PolarHBondContact O-N 2.68Å; E105-H108 PolarHBondContact O-N 2.86Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.94Å; H108-V111 PolarHBondContact O-N 2.88Å; H108-I112 VanDerWaalsContact O-CG1 3.31Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.25Å
109R98.5Very high98.1Very high136 Ų13696.6 Ų96.651%0.51349%0.485SS..Hα-helixtrans-57.4-42.3173.1-179.5179.6-73.6104.8-3.3111.3E105 L113E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.96Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NH1 2.73Å; E105-R109 PolarHBondContact OE1-NH1 3.27Å; E105-R109 IonicContact OE1-NH2 2.71Å; E105-R109 PolarHBondContact OE1-NH2 2.84Å; R109-L113 HydrophobicContact CG-CD1 4.44Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 2.85Å
110K98.5Very high98.2Very high126 Ų12698.5 Ų98.555%0.54849%0.486SS..Hα-helixtrans-63.6-50.4174.4-163.9-163.2173.5-150.10111.7S106 R107 H108 I112 L113 D114S106-K110 PolarHBondContact O-N 3.49Å; R107-K110 PolarHBondContact O-N 3.33Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.94Å; K110-I112 PolarHBondContact O-N 3.4Å; K110-L113 PolarHBondContact O-N 3.39Å; K110-D114 VanDerWaalsContact CE-OD1 3.25Å; K110-D114 WeakPolarHBondContact CE-OD1 3.3Å; K110-D114 WeakPolarHBondContact CE-OD2 3.43Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 IonicContact NZ-OD2 2.74Å; K110-D114 PolarHBondContact NZ-OD2 3.29Å; K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 2.89Å
111V98.5Very high98.2Very high80 Ų8096.6 Ų96.649%0.48547%0.473SS..Hα-helixtrans-59.2-35.2-179.3170.40000112.1R107 H108 L115R107-V111 WeakPolarHBondContact O-CG2 3.42Å; R107-V111 PolarHBondContact O-N 3.04Å; H108-V111 PolarHBondContact O-N 2.88Å; V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 WeakPolarHBondContact O-CD1 3.43Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.31Å
112I98.3Very high98.2Very high92 Ų9296.4 Ų96.447%0.47247%0.469SS..Hα-helixtrans-63-49.3173.2-68.7163.2000110.6H108 K110 L115 E116H108-I112 VanDerWaalsContact O-CG1 3.31Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.25Å; K110-I112 PolarHBondContact O-N 3.4Å; I112-L115 PolarHBondContact O-N 2.88Å; I112-E116 HydrophobicContact CG2-CG 4.37Å; I112-E116 WeakPolarHBondContact O-CB 3.49Å; I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.35Å
113L98.3Very high98.2Very high99 Ų9996.4 Ų96.452%0.51847%0.469SS..Hα-helixtrans-62.9-43.4178.2-67.6169000112.4R109 K110 L115 E116 E117R109-L113 HydrophobicContact CG-CD1 4.44Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 2.85Å; K110-L113 PolarHBondContact O-N 3.39Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 3.03Å; L113-E116 PolarHBondContact O-N 3.38Å; L113-E117 WeakPolarHBondContact O-CB 3.4Å; L113-E117 PolarHBondContact O-N 3.45Å
114D98.1Very high98.2Very high69 Ų6999.4 Ų99.437%0.36948%0.476SS..Hα-helixtrans-60.2-37.6177-65.5-12.3000110.7K110 E118K110-D114 VanDerWaalsContact CE-OD1 3.25Å; K110-D114 WeakPolarHBondContact CE-OD1 3.3Å; K110-D114 WeakPolarHBondContact CE-OD2 3.43Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 IonicContact NZ-OD2 2.74Å; K110-D114 PolarHBondContact NZ-OD2 3.29Å; K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 2.89Å; D114-E118 PolarHBondContact O-N 2.88Å; D114-E118 VanDerWaalsContact O-N 3.15Å
115L98.4Very high98.2Very high114 Ų114102.7 Ų102.760%0.59749%0.49SS*.Hα-helixtrans-77.1-34.2176.2-72.4170.3000113.7V111 I112 L113 R119V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 WeakPolarHBondContact O-CD1 3.43Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.31Å; I112-L115 PolarHBondContact O-N 2.88Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 3.03Å; L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.39Å
116E98.1Very high98.2Very high89 Ų89101.9 Ų101.942%0.41649%0.492SS..Hα-helixtrans-68.9-37174.6-75.2179.5152.300111.4I112 L113 Q120I112-E116 HydrophobicContact CG2-CG 4.37Å; I112-E116 WeakPolarHBondContact O-CB 3.49Å; I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.35Å; L113-E116 PolarHBondContact O-N 3.38Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.36Å
117E98.1Very high98.2Very high106 Ų106100.8 Ų100.850%0.49549%0.488SS..Hα-helixtrans-64.3-47.6171.8-167.2-165.7-136.200111.4L113 R119 Q120 R121L113-E117 WeakPolarHBondContact O-CB 3.4Å; L113-E117 PolarHBondContact O-N 3.45Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-Q120 CarbonylContact O-C 3.56Å; E117-Q120 WeakPolarHBondContact O-CB 3.5Å; E117-Q120 PolarHBondContact O-N 3.38Å; E117-R121 PolarHBondContact O-N 3.28Å; E117-R121 IonicContact OE1-NH1 3.52Å; E117-R121 PolarHBondContact OE1-NH1 3.31Å; E117-R121 IonicContact OE2-CZ 2.69Å; E117-R121 IonicContact OE2-NH1 3.53Å; E117-R121 PolarHBondContact OE2-NH1 3.15Å; E117-R121 IonicContact OE2-NH2 3.16Å; E117-R121 PolarHBondContact OE2-NH2 2.96Å
118E97.9Very high98.1Very high71 Ų7198.9 Ų98.933%0.33249%0.485SS..Hα-helixtrans-63.6-39.1178.7-162.861.9-137.900112.1D114 Q120 R121 H122D114-E118 PolarHBondContact O-N 2.88Å; D114-E118 VanDerWaalsContact O-N 3.15Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.9Å; E118-R121 PolarHBondContact O-N 3.09Å; E118-R121 IonicContact OE1-NE 2.73Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.44Å; E118-R121 PolarHBondContact OE2-NE 3.12Å; E118-R121 IonicContact OE2-NH2 2.71Å; E118-R121 PolarHBondContact OE2-NH2 3.48Å; E118-H122 PolarHBondContact O-N 3.41Å; E118-H122 IonicContact OE1-CE1 2.67Å; E118-H122 PolarHBondContact OE1-CE1 3.48Å; E118-H122 IonicContact OE1-ND1 3.95Å; E118-H122 IonicContact OE1-NE2 2.77Å
119R98.3Very high98.1Very high161 Ų16194.6 Ų94.661%0.60847%0.474SS*.Hα-helixtrans-60.9-38.6172.1-170.6-164.369.8-152.3-6.7111.5L115 E117 A123L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.39Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 2.96Å; R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.12Å
120Q98.1Very high98.1Very high115 Ų11593.1 Ų93.154%0.53748%0.477SS..Hα-helixtrans-71.5-39.5178.3-172.759.736.700112E116 E117 E118 A123 Q124E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.36Å; E117-Q120 CarbonylContact O-C 3.56Å; E117-Q120 WeakPolarHBondContact O-CB 3.5Å; E117-Q120 PolarHBondContact O-N 3.38Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.9Å; Q120-A123 PolarHBondContact O-N 2.96Å; Q120-Q124 PolarHBondContact O-N 2.68Å; Q120-Q124 VanDerWaalsContact O-N 3.09Å
121R98.1Very high98.1Very high97 Ų9792.6 Ų92.637%0.36648%0.48SS..Hα-helixtrans-55.6-57169.8-83.9-165.8-80.5-86.2-4.5110.7E117 E118 A123 Q124 D125E117-R121 PolarHBondContact O-N 3.28Å; E117-R121 IonicContact OE1-NH1 3.52Å; E117-R121 PolarHBondContact OE1-NH1 3.31Å; E117-R121 IonicContact OE2-CZ 2.69Å; E117-R121 IonicContact OE2-NH1 3.53Å; E117-R121 PolarHBondContact OE2-NH1 3.15Å; E117-R121 IonicContact OE2-NH2 3.16Å; E117-R121 PolarHBondContact OE2-NH2 2.96Å; E118-R121 PolarHBondContact O-N 3.09Å; E118-R121 IonicContact OE1-NE 2.73Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.44Å; E118-R121 PolarHBondContact OE2-NE 3.12Å; E118-R121 IonicContact OE2-NH2 2.71Å; E118-R121 PolarHBondContact OE2-NH2 3.48Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-A123 VanDerWaalsContact O-N 3.16Å; R121-Q124 CarbonylContact O-C 3.54Å; R121-Q124 WeakPolarHBondContact O-CA 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.31Å; R121-Q124 PolarHBondContact O-N 2.88Å; R121-D125 PolarHBondContact O-N 3.16Å
122H98.3Very high98.1Very high102 Ų10293 Ų9347%0.47248%0.482SS..Hα-helixtrans-58.7-33.1-179.3-69-9.8000113.9E118 D125 T126E118-H122 PolarHBondContact O-N 3.41Å; E118-H122 IonicContact OE1-CE1 2.67Å; E118-H122 PolarHBondContact OE1-CE1 3.48Å; E118-H122 IonicContact OE1-ND1 3.95Å; E118-H122 IonicContact OE1-NE2 2.77Å; H122-D125 IonicContact ND1-OD2 3.96Å; H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 3.41Å; H122-T126 VanDerWaalsContact O-N 3.07Å; H122-T126 PolarHBondContact O-OG1 3.38Å
123A98.1Very high98.1Very high54 Ų5492 Ų9245%0.44648%0.48SS..Hα-helixtrans-67-39.9173.900000112.2R119 Q120 R121 A127R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.12Å; Q120-A123 PolarHBondContact O-N 2.96Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-A123 VanDerWaalsContact O-N 3.16Å; A123-A127 PolarHBondContact O-N 2.97Å
124Q97.6Very high98.1Very high105 Ų10593.5 Ų93.549%0.49148%0.48SS..Hα-helixtrans-69.8-48.3174.1-179.5174.9-15.800111.8Q120 R121 T126 A127 E128Q120-Q124 PolarHBondContact O-N 2.68Å; Q120-Q124 VanDerWaalsContact O-N 3.09Å; R121-Q124 CarbonylContact O-C 3.54Å; R121-Q124 WeakPolarHBondContact O-CA 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.31Å; R121-Q124 PolarHBondContact O-N 2.88Å; Q124-T126 PolarHBondContact O-N 3.28Å; Q124-A127 PolarHBondContact O-N 3.47Å; Q124-E128 HydrophobicContact CG-CG 4.36Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.21Å; Q124-E128 PolarHBondContact NE2-OE1 2.71Å; Q124-E128 PolarHBondContact O-N 3.32Å
125D97.8Very high98.1Very high92 Ų9296.3 Ų96.349%0.49249%0.493SS..Hα-helixtrans-54.1-38.4177.2-59.7-36000111.6R121 H122 G129R121-D125 PolarHBondContact O-N 3.16Å; H122-D125 IonicContact ND1-OD2 3.96Å; D125-G129 PolarHBondContact O-N 2.96Å
126T97.8Very high98.1Very high87 Ų8796.5 Ų96.553%0.53449%0.493SS..Hα-helixtrans-68.9-46.7176.9-560000111.3H122 Q124 G129 D130H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 3.41Å; H122-T126 VanDerWaalsContact O-N 3.07Å; H122-T126 PolarHBondContact O-OG1 3.38Å; Q124-T126 PolarHBondContact O-N 3.28Å; T126-G129 WeakPolarHBondContact O-CA 3.36Å; T126-G129 PolarHBondContact O-N 3.22Å; T126-G129 VanDerWaalsContact O-N 3.17Å; T126-D130 PolarHBondContact O-N 2.98Å
127A98.2Very high98.1Very high53 Ų5397.4 Ų97.444%0.43850%0.498SS..Hα-helixtrans-65-41.1179.700000112.7A123 Q124 G129 D130 D131A123-A127 PolarHBondContact O-N 2.97Å; Q124-A127 PolarHBondContact O-N 3.47Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.43Å; A127-D130 PolarHBondContact O-N 2.93Å; A127-D131 PolarHBondContact O-N 3.14Å
128E97.5Very high98.2Very high106 Ų10697.7 Ų97.750%0.49550%0.498SS..Hα-helixtrans-65.2-34.1173.3-68.7-175.7-157.500111.5Q124 V132Q124-E128 HydrophobicContact CG-CG 4.36Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.21Å; Q124-E128 PolarHBondContact NE2-OE1 2.71Å; Q124-E128 PolarHBondContact O-N 3.32Å; E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 3.19Å; E128-V132 VanDerWaalsContact O-N 3.08Å
129G97.9Very high98.2Very high33 Ų3398 Ų9834%0.3450%0.499SS..Hα-helixtrans-64.6-39.3171.600000113.8D125 T126 A127 T133D125-G129 PolarHBondContact O-N 2.96Å; T126-G129 WeakPolarHBondContact O-CA 3.36Å; T126-G129 PolarHBondContact O-N 3.22Å; T126-G129 VanDerWaalsContact O-N 3.17Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.43Å; G129-T133 WeakPolarHBondContact O-CB 3.32Å; G129-T133 PolarHBondContact O-N 2.91Å; G129-T133 PolarHBondContact O-OG1 3.02Å
130D98.3Very high98.2Very high105 Ų10598.1 Ų98.156%0.56150%0.499SS*.Hα-helixtrans-67.5-43175.9-74.4-25.4000111.4T126 A127 V132 T133 Y134T126-D130 PolarHBondContact O-N 2.98Å; A127-D130 PolarHBondContact O-N 2.93Å; D130-V132 PolarHBondContact O-N 3.42Å; D130-T133 WeakPolarHBondContact O-CB 3.31Å; D130-T133 PolarHBondContact O-N 2.98Å; D130-Y134 PolarHBondContact O-N 2.64Å
131D98.3Very high98.2Very high115 Ų11598.1 Ų98.162%0.61550%0.499SS*.Hα-helixtrans-61-44.4175.1-93.5-17.6000112.2A127 T133 Y134 M135A127-D131 PolarHBondContact O-N 3.14Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.33Å; D131-Y134 PolarHBondContact O-N 3.21Å; D131-M135 WeakPolarHBondContact O-CB 3.47Å; D131-M135 VanDerWaalsContact O-CG 3.29Å; D131-M135 WeakPolarHBondContact O-CG 3.41Å; D131-M135 PolarHBondContact O-N 3.31Å
132V98.4Very high98.3Very high87 Ų8799.2 Ų99.253%0.52750%0.503SS..Hα-helixtrans-63.3-39.2174.4169.40000111.2E128 D130 M135 L136E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 3.19Å; E128-V132 VanDerWaalsContact O-N 3.08Å; D130-V132 PolarHBondContact O-N 3.42Å; V132-M135 PolarHBondContact O-N 3.23Å; V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 2.96Å
133T98.3Very high98.3Very high71 Ų7198.5 Ų98.544%0.43650%0.503SS..Hα-helixtrans-64.3-49.2177.4-60.30000110.9G129 D130 D131 M135 L136 E137G129-T133 WeakPolarHBondContact O-CB 3.32Å; G129-T133 PolarHBondContact O-N 2.91Å; G129-T133 PolarHBondContact O-OG1 3.02Å; D130-T133 WeakPolarHBondContact O-CB 3.31Å; D130-T133 PolarHBondContact O-N 2.98Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.33Å; T133-M135 VanDerWaalsContact C-N 3.33Å; T133-M135 PolarHBondContact O-N 3.46Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.14Å; T133-E137 HydrophobicContact CG2-CG 4.48Å; T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 3.38Å
134Y98.6Very high98.3Very high131 Ų13199.6 Ų99.651%0.51450%0.504SS..Hα-helixtrans-58.3-42.3176.4173.5-103.5000112.4D130 D131 L136 E137 K138D130-Y134 PolarHBondContact O-N 2.64Å; D131-Y134 PolarHBondContact O-N 3.21Å; Y134-L136 PolarHBondContact O-N 3.35Å; Y134-E137 PolarHBondContact O-N 3.4Å; Y134-K138 HydrophobicContact CE1-CD 4.05Å; Y134-K138 VanDerWaalsContact O-CB 3.28Å; Y134-K138 WeakPolarHBondContact O-CB 3.45Å; Y134-K138 PolarHBondContact O-N 3.05Å; Y134-K138 PolarHBondContact OH-NZ 3.15Å; Y134-K138 VanDerWaalsContact OH-NZ 3.12Å
135M98.6Very high98.4Very high129 Ų129101.1 Ų101.164%0.63551%0.511SS*.Hα-helixtrans-60.1-42.6175.2-78.1-78.7-76.200112.5D131 V132 T133 E139D131-M135 WeakPolarHBondContact O-CB 3.47Å; D131-M135 VanDerWaalsContact O-CG 3.29Å; D131-M135 WeakPolarHBondContact O-CG 3.41Å; D131-M135 PolarHBondContact O-N 3.31Å; V132-M135 PolarHBondContact O-N 3.23Å; T133-M135 VanDerWaalsContact C-N 3.33Å; T133-M135 PolarHBondContact O-N 3.46Å; M135-E139 PolarHBondContact O-N 3.35Å; M135-E139 VanDerWaalsContact O-N 3.11Å
136L98.4Very high98.4Very high117 Ų117100.6 Ų100.661%0.61351%0.506SS*.Hα-helixtrans-71.6-37.8178.2-70.6171.4000112.7V132 T133 Y134 E139 R140V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 2.96Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.14Å; Y134-L136 PolarHBondContact O-N 3.35Å; L136-E139 PolarHBondContact O-N 3.38Å; L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.18Å
137E98.5Very high98.5Very high109 Ų109100.8 Ų100.851%0.50950%0.503SS..Hα-helixtrans-64.6-42.2174.7-71.6-164.9141.500111.7T133 Y134 E139 R140 E141T133-E137 HydrophobicContact CG2-CG 4.48Å; T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 3.38Å; Y134-E137 PolarHBondContact O-N 3.4Å; E137-E139 PolarHBondContact O-N 2.9Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.84Å; E137-E141 PolarHBondContact O-N 2.83Å
138K98.8Very high98.5Very high112 Ų112102.9 Ų102.949%0.48750%0.504SS..Hα-helixtrans-63.1-40.6176.3-169.6172.6-168.3161.70112.7Y134 E141 R142Y134-K138 HydrophobicContact CE1-CD 4.05Å; Y134-K138 VanDerWaalsContact O-CB 3.28Å; Y134-K138 WeakPolarHBondContact O-CB 3.45Å; Y134-K138 PolarHBondContact O-N 3.05Å; Y134-K138 PolarHBondContact OH-NZ 3.15Å; Y134-K138 VanDerWaalsContact OH-NZ 3.12Å; K138-E141 PolarHBondContact O-N 3.14Å; K138-R142 PolarHBondContact O-N 3.38Å
139E98.5Very high98.5Very high78 Ų78102.9 Ų102.936%0.36450%0.502SS..Hα-helixtrans-69.1-38.3174.1178.359.4-172.200111.7M135 L136 E137 E141 R142 L143M135-E139 PolarHBondContact O-N 3.35Å; M135-E139 VanDerWaalsContact O-N 3.11Å; L136-E139 PolarHBondContact O-N 3.38Å; E137-E139 PolarHBondContact O-N 2.9Å; E139-E141 PolarHBondContact O-N 2.92Å; E139-R142 PolarHBondContact O-N 2.94Å; E139-R142 IonicContact OE1-CZ 3.02Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 IonicContact OE1-NH2 3.64Å; E139-R142 PolarHBondContact OE1-NH2 3.08Å; E139-R142 IonicContact OE2-CZ 2.96Å; E139-R142 IonicContact OE2-NE 3.85Å; E139-R142 PolarHBondContact OE2-NE 2.87Å; E139-R142 IonicContact OE2-NH2 2.99Å; E139-R142 PolarHBondContact OE2-NH2 3.44Å; E139-L143 HydrophobicContact CG-CD1 4.01Å; E139-L143 HydrophobicContact CG-CG 4.46Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 2.93Å
140R98.7Very high98.6Very high163 Ų163106 Ų10662%0.61551%0.508SS*.Hα-helixtrans-59.1-43.8171.4168.6-176.6171.2-102.6-3.7111.8L136 E137 T144L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.18Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.84Å; R140-T144 WeakPolarHBondContact O-CB 3.43Å; R140-T144 PolarHBondContact O-N 3.37Å; R140-T144 PolarHBondContact O-OG1 3.03Å
141E98.8Very high98.6Very high115 Ų115105.9 Ų105.954%0.53750%0.502SS..Hα-helixtrans-63.1-47.2175.5-73.4-168.216200111.6E137 K138 E139 L143 T144 Q145E137-E141 PolarHBondContact O-N 2.83Å; K138-E141 PolarHBondContact O-N 3.14Å; E139-E141 PolarHBondContact O-N 2.92Å; E141-L143 PolarHBondContact O-N 3.13Å; E141-T144 WeakPolarHBondContact O-CB 3.49Å; E141-T144 PolarHBondContact O-N 2.92Å; E141-T144 VanDerWaalsContact O-N 3.12Å; E141-Q145 WeakPolarHBondContact O-CG 3.4Å; E141-Q145 PolarHBondContact O-N 3.23Å
142R98.8Very high98.6Very high119 Ų119102.8 Ų102.845%0.44949%0.49SS..Hα-helixtrans-57.9-45.4177.2-167.1-161.866.572.1-0.6112.1K138 E139 Q145 Q146K138-R142 PolarHBondContact O-N 3.38Å; E139-R142 PolarHBondContact O-N 2.94Å; E139-R142 IonicContact OE1-CZ 3.02Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 IonicContact OE1-NH2 3.64Å; E139-R142 PolarHBondContact OE1-NH2 3.08Å; E139-R142 IonicContact OE2-CZ 2.96Å; E139-R142 IonicContact OE2-NE 3.85Å; E139-R142 PolarHBondContact OE2-NE 2.87Å; E139-R142 IonicContact OE2-NH2 2.99Å; E139-R142 PolarHBondContact OE2-NH2 3.44Å; R142-Q145 PolarHBondContact O-N 3.35Å; R142-Q146 PolarHBondContact O-N 3.24Å
143L98.8Very high98.6Very high87 Ų87102.2 Ų102.246%0.45548%0.481SS..Hα-helixtrans-65.1-37.5175.7-72.4169.1000112.1E139 E141 Q146 L147E139-L143 HydrophobicContact CG-CD1 4.01Å; E139-L143 HydrophobicContact CG-CG 4.46Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 2.93Å; E141-L143 PolarHBondContact O-N 3.13Å; L143-Q146 PolarHBondContact O-N 3.18Å; L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.5Å; L143-L147 PolarHBondContact O-N 2.96Å
144T98.6Very high98.6Very high77 Ų77102.7 Ų102.747%0.47248%0.484SS..Hα-helixtrans-65.2-42.2176.4-58.30000111.5R140 E141 L147 E148R140-T144 WeakPolarHBondContact O-CB 3.43Å; R140-T144 PolarHBondContact O-N 3.37Å; R140-T144 PolarHBondContact O-OG1 3.03Å; E141-T144 WeakPolarHBondContact O-CB 3.49Å; E141-T144 PolarHBondContact O-N 2.92Å; E141-T144 VanDerWaalsContact O-N 3.12Å; T144-L147 PolarHBondContact O-N 3.42Å; T144-E148 PolarHBondContact O-N 2.91Å
145Q98.8Very high98.6Very high137 Ų137102.7 Ų102.764%0.6449%0.487SS*.Hα-helixtrans-64.2-44.9175.7-68.7173.222.600111.8E141 R142 L147 E148 F149E141-Q145 WeakPolarHBondContact O-CG 3.4Å; E141-Q145 PolarHBondContact O-N 3.23Å; R142-Q145 PolarHBondContact O-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.28Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q145-F149 PolarHBondContact O-N 2.95Å
146Q98.6Very high98.7Very high82 Ų82102.3 Ų102.338%0.38348%0.482SS..Hα-helixtrans-58.8-46.5175.5-178.163.927.700111.6R142 L143 E148 F149 E150R142-Q146 PolarHBondContact O-N 3.24Å; L143-Q146 PolarHBondContact O-N 3.18Å; Q146-E148 PolarHBondContact O-N 3.27Å; Q146-F149 WeakPolarHBondContact O-CB 3.38Å; Q146-F149 PolarHBondContact O-N 3.5Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.37Å; Q146-E150 PolarHBondContact NE2-OE1 2.67Å; Q146-E150 WeakPolarHBondContact O-CG 3.32Å; Q146-E150 PolarHBondContact O-N 3.07Å
147L98.7Very high98.7Very high90 Ų90102.8 Ų102.847%0.47148%0.479SS..Hα-helixtrans-65.1-35.5-179.6176.6147.3000112.7L143 T144 Q145 K151L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.5Å; L143-L147 PolarHBondContact O-N 2.96Å; T144-L147 PolarHBondContact O-N 3.42Å; Q145-L147 PolarHBondContact O-N 3.28Å; L147-K151 HydrophobicContact CD2-CD 3.88Å; L147-K151 VanDerWaalsContact CD2-CE 3.43Å; L147-K151 WeakPolarHBondContact O-CB 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.46Å; L147-K151 PolarHBondContact O-N 2.69Å
148E98.7Very high98.7Very high98 Ų98102.7 Ų102.746%0.45848%0.478SS..Hα-helixtrans-76.4-30.6175.6-161.757.5-138.800112.8T144 Q145 Q146 K151 S152T144-E148 PolarHBondContact O-N 2.91Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q146-E148 PolarHBondContact O-N 3.27Å; E148-K151 WeakPolarHBondContact OE2-CD 3.42Å; E148-K151 IonicContact OE2-NZ 3.88Å; E148-K151 PolarHBondContact OE2-NZ 2.85Å; E148-S152 VanDerWaalsContact O-CB 3.24Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.03Å; E148-S152 PolarHBondContact O-OG 2.73Å
149F98.7Very high98.7Very high106 Ų106104 Ų10447%0.46548%0.484SS..Hα-helixtrans-63.5-46.8167.5173.6-103.2000111.5Q145 Q146 S152 Q153Q145-F149 PolarHBondContact O-N 2.95Å; Q146-F149 WeakPolarHBondContact O-CB 3.38Å; Q146-F149 PolarHBondContact O-N 3.5Å; F149-S152 CarbonylContact O-C 3.59Å; F149-S152 WeakPolarHBondContact O-CA 3.28Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; F149-Q153 HydrophobicContact CE1-CG 4.17Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.28Å; F149-Q153 HydrophobicContact CE2-CG 4.31Å; F149-Q153 HydrophobicContact CZ-CG 4.02Å; F149-Q153 WeakPolarHBondContact O-CG 3.33Å; F149-Q153 PolarHBondContact O-N 2.88Å
150E98.5Very high98.7Very high98 Ų98105.4 Ų105.446%0.45849%0.491SS..Hα-helixtrans-63.3-47.6178.3-75.6173.3-165.700112.4Q146 S152 Q153 V154Q146-E150 WeakPolarHBondContact CG-OE1 3.37Å; Q146-E150 PolarHBondContact NE2-OE1 2.67Å; Q146-E150 WeakPolarHBondContact O-CG 3.32Å; Q146-E150 PolarHBondContact O-N 3.07Å; E150-S152 PolarHBondContact O-N 2.57Å; E150-Q153 PolarHBondContact O-N 3.22Å; E150-V154 WeakPolarHBondContact O-CG2 3.44Å; E150-V154 PolarHBondContact O-N 2.81Å
151K98.8Very high98.7Very high102 Ų102104.4 Ų104.444%0.44349%0.493SS..Hα-helixtrans-52-43168.8-78.6164168169.10112.1L147 E148 Q153 V154 K155L147-K151 HydrophobicContact CD2-CD 3.88Å; L147-K151 VanDerWaalsContact CD2-CE 3.43Å; L147-K151 WeakPolarHBondContact O-CB 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.46Å; L147-K151 PolarHBondContact O-N 2.69Å; E148-K151 WeakPolarHBondContact OE2-CD 3.42Å; E148-K151 IonicContact OE2-NZ 3.88Å; E148-K151 PolarHBondContact OE2-NZ 2.85Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.98Å; K151-V154 PolarHBondContact O-N 3.31Å; K151-K155 WeakPolarHBondContact O-CB 3.46Å; K151-K155 PolarHBondContact O-N 3.48Å
152S98.5Very high98.7Very high51 Ų51106.7 Ų106.736%0.35750%0.501SS..Hα-helixtrans-68.4-24.9179.3-66.30000113.3E148 F149 E150 K156E148-S152 VanDerWaalsContact O-CB 3.24Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.03Å; E148-S152 PolarHBondContact O-OG 2.73Å; F149-S152 CarbonylContact O-C 3.59Å; F149-S152 WeakPolarHBondContact O-CA 3.28Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; E150-S152 PolarHBondContact O-N 2.57Å; S152-K156 WeakPolarHBondContact O-CD 3.41Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.2Å
153Q98.7Very high98.7Very high74 Ų74108.3 Ų108.335%0.34651%0.511SS..Hα-helixtrans-79-47.7170-64.5-157.8106.100111.8F149 E150 K151 K155 K156 F157F149-Q153 HydrophobicContact CE1-CG 4.17Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.28Å; F149-Q153 HydrophobicContact CE2-CG 4.31Å; F149-Q153 HydrophobicContact CZ-CG 4.02Å; F149-Q153 WeakPolarHBondContact O-CG 3.33Å; F149-Q153 PolarHBondContact O-N 2.88Å; E150-Q153 PolarHBondContact O-N 3.22Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.98Å; Q153-K155 VanDerWaalsContact C-N 3.29Å; Q153-K155 PolarHBondContact O-N 3.18Å; Q153-K156 WeakPolarHBondContact O-CA 3.34Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 3.37Å; Q153-F157 HydrophobicContact CB-CE2 4.32Å; Q153-F157 VanDerWaalsContact O-CD2 3.29Å; Q153-F157 WeakPolarHBondContact O-CD2 3.37Å; Q153-F157 PolarHBondContact O-N 3.3Å
154V98.7Very high98.6Very high82 Ų82109.5 Ų109.550%0.49752%0.518SS..Hα-helixtrans-53.8-48.1175.4172.80000110.3E150 K151 K156 F157 E158E150-V154 WeakPolarHBondContact O-CG2 3.44Å; E150-V154 PolarHBondContact O-N 2.81Å; K151-V154 PolarHBondContact O-N 3.31Å; V154-K156 PolarHBondContact O-N 2.95Å; V154-K156 VanDerWaalsContact O-N 3.12Å; V154-F157 PolarHBondContact O-N 2.91Å; V154-F157 VanDerWaalsContact O-N 3.09Å; V154-E158 HydrophobicContact CG1-CG 4.13Å; V154-E158 WeakPolarHBondContact O-CG 3.24Å; V154-E158 PolarHBondContact O-N 3.4Å
155K98.7Very high98.6Very high131 Ų131109.3 Ų109.357%0.5752%0.52SS*.Hα-helixtrans-66.1-11.1177.6-167173.5-174.8174.90115.1K151 Q153 K159K151-K155 WeakPolarHBondContact O-CB 3.46Å; K151-K155 PolarHBondContact O-N 3.48Å; Q153-K155 VanDerWaalsContact C-N 3.29Å; Q153-K155 PolarHBondContact O-N 3.18Å; K155-K159 WeakPolarHBondContact O-CD 3.37Å; K155-K159 WeakPolarHBondContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CG 3.44Å
156K98.7Very high98.6Very high121 Ų121106.6 Ų106.653%0.52652%0.516SS..Hα-helixtrans-86.2-52.2166.4-70.9165.9-174.7176.30109.8S152 Q153 V154 E158 K159 E160S152-K156 WeakPolarHBondContact O-CD 3.41Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.2Å; Q153-K156 WeakPolarHBondContact O-CA 3.34Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 3.37Å; V154-K156 PolarHBondContact O-N 2.95Å; V154-K156 VanDerWaalsContact O-N 3.12Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.4Å; K156-K159 PolarHBondContact O-N 3.5Å; K156-E160 PolarHBondContact O-N 3.03Å
157F98.4Very high98.6Very high127 Ų127107.9 Ų107.956%0.55752%0.522SS*.Hα-helixtrans-61.9-35.7180-65.2-54.4000113.1Q153 V154 K159 E160 Q161Q153-F157 HydrophobicContact CB-CE2 4.32Å; Q153-F157 VanDerWaalsContact O-CD2 3.29Å; Q153-F157 WeakPolarHBondContact O-CD2 3.37Å; Q153-F157 PolarHBondContact O-N 3.3Å; V154-F157 PolarHBondContact O-N 2.91Å; V154-F157 VanDerWaalsContact O-N 3.09Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.03Å; F157-E160 PolarHBondContact O-N 3.2Å; F157-Q161 VanDerWaalsContact O-CB 3.25Å; F157-Q161 WeakPolarHBondContact O-CB 3.15Å; F157-Q161 PolarHBondContact O-N 2.98Å
158E98.6Very high98.6Very high106 Ų106108.1 Ų108.150%0.49552%0.523SS..Hα-helixtrans-57.3-40.5170.5-74.8174.8159.900112.5V154 K156 K162V154-E158 HydrophobicContact CG1-CG 4.13Å; V154-E158 WeakPolarHBondContact O-CG 3.24Å; V154-E158 PolarHBondContact O-N 3.4Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.13Å; E158-K162 VanDerWaalsContact O-CB 3.23Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 PolarHBondContact O-N 3.32Å
159K98.7Very high98.6Very high140 Ų140108.4 Ų108.461%0.60952%0.524SS*.Hα-helixtrans-71.7-38.5178.2-67.4173.6-177.6-1800111.4K155 K156 F157 K162 K163K155-K159 WeakPolarHBondContact O-CD 3.37Å; K155-K159 WeakPolarHBondContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CG 3.44Å; K156-K159 WeakPolarHBondContact O-CB 3.4Å; K156-K159 PolarHBondContact O-N 3.5Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.03Å; K159-K162 PolarHBondContact O-N 3.38Å; K159-K163 WeakPolarHBondContact O-CB 3.46Å; K159-K163 PolarHBondContact O-N 3.33Å
160E98.6Very high98.6Very high108 Ų108107.7 Ų107.751%0.50552%0.523SS..Hα-helixtrans-68.9-45.1177.4-69.5174.9177.300111.1K156 F157 K162 K163 L164K156-E160 PolarHBondContact O-N 3.03Å; F157-E160 PolarHBondContact O-N 3.2Å; E160-K162 PolarHBondContact O-N 2.92Å; E160-K163 WeakPolarHBondContact O-CB 3.31Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-L164 WeakPolarHBondContact O-CB 3.22Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.94Å
161Q98.6Very high98.6Very high141 Ų141107.5 Ų107.566%0.65952%0.522SS*.Hα-helixtrans-56.9-47.6171.1-173.9-169.152.600111.1F157 K163 L164 S165F157-Q161 VanDerWaalsContact O-CB 3.25Å; F157-Q161 WeakPolarHBondContact O-CB 3.15Å; F157-Q161 PolarHBondContact O-N 2.98Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; Q161-K163 PolarHBondContact O-N 3.42Å; Q161-L164 PolarHBondContact O-N 3.02Å; Q161-S165 VanDerWaalsContact O-CB 3.26Å; Q161-S165 WeakPolarHBondContact O-CB 3.09Å; Q161-S165 PolarHBondContact O-N 3.18Å
162K98.8Very high98.6Very high164 Ų164109.5 Ų109.571%0.71353%0.526SS*.Hα-helixtrans-62.4-38.8176.8-174.3170.3-177172.30112.4E158 K159 E160 S166E158-K162 VanDerWaalsContact O-CB 3.23Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 PolarHBondContact O-N 3.32Å; K159-K162 PolarHBondContact O-N 3.38Å; E160-K162 PolarHBondContact O-N 2.92Å; K162-S166 WeakPolarHBondContact O-CB 3.12Å; K162-S166 PolarHBondContact O-N 3.24Å
163K98.7Very high98.6Very high152 Ų152110.2 Ų110.266%0.66153%0.531SS*.Hα-helixtrans-64.9-49.6175.3-176.9-174.9175.5-171.90111.4K159 E160 Q161 S165 S166 Q167K159-K163 WeakPolarHBondContact O-CB 3.46Å; K159-K163 PolarHBondContact O-N 3.33Å; E160-K163 WeakPolarHBondContact O-CB 3.31Å; E160-K163 PolarHBondContact O-N 3.09Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; Q161-K163 PolarHBondContact O-N 3.42Å; K163-S165 PolarHBondContact O-N 3.05Å; K163-S166 WeakPolarHBondContact O-CB 3.28Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-Q167 PolarHBondContact O-N 2.96Å
164L98.5Very high98.6Very high112 Ų112111.9 Ų111.959%0.58653%0.534SS*.Hα-helixtrans-63.8-40178.8-69.7170.4000111.7E160 Q161 Q167 L168E160-L164 WeakPolarHBondContact O-CB 3.22Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.94Å; Q161-L164 PolarHBondContact O-N 3.02Å; L164-Q167 PolarHBondContact O-N 2.9Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 PolarHBondContact O-N 3.41Å
165S98.4Very high98.6Very high74 Ų74114.4 Ų114.452%0.51754%0.54SS..Hα-helixtrans-62.8-40.6173.7-176.40000112.2Q161 K163 E169Q161-S165 VanDerWaalsContact O-CB 3.26Å; Q161-S165 WeakPolarHBondContact O-CB 3.09Å; Q161-S165 PolarHBondContact O-N 3.18Å; K163-S165 PolarHBondContact O-N 3.05Å; S165-E169 PolarHBondContact O-N 2.88Å; S165-E169 VanDerWaalsContact O-N 3.16Å
166S98.5Very high98.6Very high79 Ų79116.1 Ų116.155%0.55255%0.548SS*.Hα-helixtrans-65.3-40.1175.6-167.30000111.8K162 K163 E169 E170K162-S166 WeakPolarHBondContact O-CB 3.12Å; K162-S166 PolarHBondContact O-N 3.24Å; K163-S166 WeakPolarHBondContact O-CB 3.28Å; K163-S166 PolarHBondContact O-N 3.2Å; S166-E169 PolarHBondContact O-N 3.48Å; S166-E170 PolarHBondContact O-N 3.41Å
167Q98.6Very high98.6Very high109 Ų109117.2 Ų117.251%0.50956%0.555SS.*Hα-helixtrans-68.4-38.9177.9-173.4176.3-4.300112.1K163 L164 E169 E170 E171K163-Q167 PolarHBondContact O-N 2.96Å; L164-Q167 PolarHBondContact O-N 2.9Å; Q167-E169 VanDerWaalsContact C-N 3.33Å; Q167-E169 PolarHBondContact O-N 3.17Å; Q167-E170 PolarHBondContact O-N 3.41Å; Q167-E171 PolarHBondContact O-N 3.21Å
168L98.4Very high98.6Very high95 Ų95116 Ų11650%0.49755%0.554SS.*Hα-helixtrans-62.5-40174.9178.361.8000111.9L164 R172L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 PolarHBondContact O-N 3.41Å; L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.5Å; L168-R172 PolarHBondContact O-N 3.39Å
169E98.4Very high98.6Very high105 Ų105113.6 Ų113.649%0.49155%0.549SS..Hα-helixtrans-74.9-32.6178.5-161.457.5-150.800112.2S165 S166 Q167 R172 S173S165-E169 PolarHBondContact O-N 2.88Å; S165-E169 VanDerWaalsContact O-N 3.16Å; S166-E169 PolarHBondContact O-N 3.48Å; Q167-E169 VanDerWaalsContact C-N 3.33Å; Q167-E169 PolarHBondContact O-N 3.17Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 WeakPolarHBondContact OE2-CD 3.36Å; E169-R172 IonicContact OE2-CZ 2.68Å; E169-R172 IonicContact OE2-NE 3.56Å; E169-R172 IonicContact OE2-NH1 3.71Å; E169-R172 PolarHBondContact OE2-NH1 3.28Å; E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.02Å
170E98.6Very high98.6Very high91 Ų91110.9 Ų110.943%0.42555%0.547SS..Hα-helixtrans-60.1-48.4169.3-166.7-174.5151.600111.3S166 Q167 R172 S173 R174S166-E170 PolarHBondContact O-N 3.41Å; Q167-E170 PolarHBondContact O-N 3.41Å; E170-R172 PolarHBondContact O-N 2.85Å; E170-S173 WeakPolarHBondContact O-CB 3.45Å; E170-S173 PolarHBondContact O-N 2.99Å; E170-S173 VanDerWaalsContact O-N 3.11Å; E170-S173 PolarHBondContact O-OG 3.04Å; E170-R174 PolarHBondContact O-N 3.2Å; E170-R174 IonicContact OE1-CZ 3.19Å; E170-R174 IonicContact OE1-NH1 2.69Å; E170-R174 PolarHBondContact OE1-NH1 3.38Å; E170-R174 IonicContact OE1-NH2 2.69Å; E170-R174 PolarHBondContact OE1-NH2 2.85Å
171E98.4Very high98.6Very high94 Ų94111.1 Ų111.144%0.43955%0.55SS..Hα-helixtrans-67.5-34.9177.7-73.3-54.8119.800113.2Q167 S173 R174 H175Q167-E171 PolarHBondContact O-N 3.21Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 3.09Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE1-CZ 3.3Å; E171-R174 IonicContact OE1-NE 2.67Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 3.07Å; E171-H175 WeakPolarHBondContact O-CB 3.35Å; E171-H175 PolarHBondContact O-N 3.12Å
172R98.5Very high98.6Very high143 Ų143109.8 Ų109.854%0.5455%0.547SS..Hα-helixtrans-60.8-40168.5-77.7167.4166.5-173.6-2.9112L168 E169 E170 H175 K176L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.5Å; L168-R172 PolarHBondContact O-N 3.39Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 WeakPolarHBondContact OE2-CD 3.36Å; E169-R172 IonicContact OE2-CZ 2.68Å; E169-R172 IonicContact OE2-NE 3.56Å; E169-R172 IonicContact OE2-NH1 3.71Å; E169-R172 PolarHBondContact OE2-NH1 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; R172-H175 PolarHBondContact O-N 3.03Å; R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 PolarHBondContact O-N 3.39Å
173S98.6Very high98.6Very high66 Ų66106.5 Ų106.546%0.46254%0.54SS..Hα-helixtrans-65.5-42.3176.883.70000111.8E169 E170 E171 K176 Q177E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.02Å; E170-S173 WeakPolarHBondContact O-CB 3.45Å; E170-S173 PolarHBondContact O-N 2.99Å; E170-S173 VanDerWaalsContact O-N 3.11Å; E170-S173 PolarHBondContact O-OG 3.04Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 3.09Å; S173-K176 PolarHBondContact O-N 2.77Å; S173-Q177 PolarHBondContact O-N 3.06Å
174R98.5Very high98.6Very high109 Ų109104.6 Ų104.641%0.41154%0.536SS..Hα-helixtrans-59.8-49.3171.8-73.6-166.917490.219.6111.6E170 E171 K176 Q177 L178E170-R174 PolarHBondContact O-N 3.2Å; E170-R174 IonicContact OE1-CZ 3.19Å; E170-R174 IonicContact OE1-NH1 2.69Å; E170-R174 PolarHBondContact OE1-NH1 3.38Å; E170-R174 IonicContact OE1-NH2 2.69Å; E170-R174 PolarHBondContact OE1-NH2 2.85Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE1-CZ 3.3Å; E171-R174 IonicContact OE1-NE 2.67Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 3.07Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 2.67Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 PolarHBondContact O-N 3.23Å; R174-Q177 VanDerWaalsContact O-N 3.17Å; R174-L178 WeakPolarHBondContact O-CG 3.33Å; R174-L178 PolarHBondContact O-N 3.23Å
175H98.6Very high98.6Very high135 Ų135103.5 Ų103.563%0.62553%0.529SS*.Hα-helixtrans-61.2-41.7-179.9-170.693.6000111.8E171 R172 Q177 L178 S179E171-H175 WeakPolarHBondContact O-CB 3.35Å; E171-H175 PolarHBondContact O-N 3.12Å; R172-H175 PolarHBondContact O-N 3.03Å; H175-Q177 PolarHBondContact O-N 3.14Å; H175-L178 PolarHBondContact O-N 3.44Å; H175-S179 VanDerWaalsContact O-CB 3.24Å; H175-S179 WeakPolarHBondContact O-CB 3.45Å; H175-S179 PolarHBondContact O-N 3.16Å
176K98.8Very high98.6Very high167 Ų167103.2 Ų103.273%0.72653%0.526SS*.Hα-helixtrans-61.9-41.2174.7-174.7177.6-180179.50112.2R172 S173 R174 S180R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 PolarHBondContact O-N 3.39Å; S173-K176 PolarHBondContact O-N 2.77Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 2.67Å; K176-S180 WeakPolarHBondContact O-CB 3.43Å; K176-S180 PolarHBondContact O-N 3.49Å
177Q98.6Very high98.6Very high144 Ų144106 Ų10667%0.67353%0.528SS*.Hα-helixtrans-65.1-47.6175.5-174.7-179.72.900111.7S173 R174 H175 S180 M181S173-Q177 PolarHBondContact O-N 3.06Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 PolarHBondContact O-N 3.23Å; R174-Q177 VanDerWaalsContact O-N 3.17Å; H175-Q177 PolarHBondContact O-N 3.14Å; Q177-S180 PolarHBondContact O-N 2.66Å; Q177-M181 WeakPolarHBondContact O-CB 3.44Å; Q177-M181 PolarHBondContact O-N 3.11Å
178L98.7Very high98.6Very high101 Ų101106.3 Ų106.353%0.52953%0.528SS..Hα-helixtrans-61.8-43.7177.8-70.9170.3000111.9R174 H175 M181 L182R174-L178 WeakPolarHBondContact O-CG 3.33Å; R174-L178 PolarHBondContact O-N 3.23Å; H175-L178 PolarHBondContact O-N 3.44Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-M181 PolarHBondContact O-N 2.92Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.5Å
179S98.8Very high98.6Very high57 Ų57104.8 Ų104.840%0.39953%0.528SS..Hα-helixtrans-60.7-46.8174.6-179.60000111.5H175 M181 L182 V183H175-S179 VanDerWaalsContact O-CB 3.24Å; H175-S179 WeakPolarHBondContact O-CB 3.45Å; H175-S179 PolarHBondContact O-N 3.16Å; S179-M181 VanDerWaalsContact C-N 3.31Å; S179-M181 PolarHBondContact O-N 3.47Å; S179-L182 PolarHBondContact O-N 2.97Å; S179-V183 WeakPolarHBondContact O-CG2 3.44Å; S179-V183 PolarHBondContact O-N 3.44Å
180S98.6Very high98.6Very high82 Ų82104.3 Ų104.357%0.57353%0.533SS*.Hα-helixtrans-62.6-35.6176.7-171.10000113K176 Q177 L184K176-S180 WeakPolarHBondContact O-CB 3.43Å; K176-S180 PolarHBondContact O-N 3.49Å; Q177-S180 PolarHBondContact O-N 2.66Å; S180-L184 PolarHBondContact O-N 2.95Å
181M98.6Very high98.6Very high113 Ų113104.1 Ų104.156%0.55754%0.535SS*.Hα-helixtrans-70.4-43.5175.7-176.7179.371.700111.5Q177 L178 S179 L184 E185Q177-M181 WeakPolarHBondContact O-CB 3.44Å; Q177-M181 PolarHBondContact O-N 3.11Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-M181 PolarHBondContact O-N 2.92Å; S179-M181 VanDerWaalsContact C-N 3.31Å; S179-M181 PolarHBondContact O-N 3.47Å; M181-L184 WeakPolarHBondContact O-CB 3.5Å; M181-L184 PolarHBondContact O-N 2.89Å; M181-E185 PolarHBondContact O-N 2.88Å
182L98.7Very high98.6Very high113 Ų113105.9 Ų105.959%0.59254%0.541SS*.Hα-helixtrans-63.1-44.5177.1-178.461.1000111.4L178 S179 L184 E185 C186L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.5Å; S179-L182 PolarHBondContact O-N 2.97Å; L182-L184 VanDerWaalsContact C-N 3.27Å; L182-L184 PolarHBondContact O-N 3.01Å; L182-E185 PolarHBondContact O-N 3.38Å; L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 3.01Å; L182-C186 PolarHBondContact O-SG 2.91Å
183V98.8Very high98.6Very high95 Ų95102.2 Ų102.258%0.57654%0.542SS*.Hα-helixtrans-59.7-37.7175.2169.10000111.7S179 K187S179-V183 WeakPolarHBondContact O-CG2 3.44Å; S179-V183 PolarHBondContact O-N 3.44Å; V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.35Å
184L98.5Very high98.5Very high112 Ų112102.2 Ų102.259%0.58655%0.546SS*.Hα-helixtrans-67.1-45.7176.7-175.963.6000112.1S180 M181 L182 K187 K188S180-L184 PolarHBondContact O-N 2.95Å; M181-L184 WeakPolarHBondContact O-CB 3.5Å; M181-L184 PolarHBondContact O-N 2.89Å; L182-L184 VanDerWaalsContact C-N 3.27Å; L182-L184 PolarHBondContact O-N 3.01Å; L184-K187 PolarHBondContact O-N 2.69Å; L184-K188 VanDerWaalsContact O-CB 3.28Å; L184-K188 WeakPolarHBondContact O-CB 3.47Å; L184-K188 PolarHBondContact O-N 2.92Å
185E98.4Very high98.5Very high90 Ų90102 Ų10242%0.42155%0.549SS..Hα-helixtrans-68.4-37.8176.6-74.1-62.1134.200112.5M181 L182 K188 A189M181-E185 PolarHBondContact O-N 2.88Å; L182-E185 PolarHBondContact O-N 3.38Å; E185-K188 PolarHBondContact O-N 3.4Å; E185-K188 WeakPolarHBondContact OE1-CD 3.42Å; E185-K188 IonicContact OE1-NZ 3.92Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; E185-K188 IonicContact OE2-NZ 3.25Å; E185-K188 PolarHBondContact OE2-NZ 2.83Å; E185-A189 WeakPolarHBondContact O-CB 3.25Å; E185-A189 PolarHBondContact O-N 3.2Å
186C98.4Very high98.5Very high68 Ų6899.9 Ų99.946%0.45954%0.54SS..Hα-helixtrans-59.3-49.5171.1-72.50000111.1L182 K188 A189 T190L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 3.01Å; L182-C186 PolarHBondContact O-SG 2.91Å; C186-K188 VanDerWaalsContact C-N 3.32Å; C186-K188 PolarHBondContact O-N 2.82Å; C186-A189 PolarHBondContact O-N 3.2Å; C186-T190 PolarHBondContact O-N 3.48Å; C186-T190 PolarHBondContact O-OG1 3.18Å; C186-T190 VanDerWaalsContact O-OG1 3.08Å
187K98.6Very high98.4Very high136 Ų13694 Ų9459%0.59153%0.526SS*.Hα-helixtrans-59.2-42.3177.1-179.3173.5179.8174.60112.1V183 L184 T190 N191V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.35Å; L184-K187 PolarHBondContact O-N 2.69Å; K187-T190 PolarHBondContact O-N 3.46Å; K187-N191 WeakPolarHBondContact O-CB 3.39Å; K187-N191 VanDerWaalsContact O-CG 3.29Å; K187-N191 PolarHBondContact O-N 3.42Å; K187-N191 PolarHBondContact O-OD1 2.85Å
188K98.6Very high98.4Very high117 Ų11793.1 Ų93.151%0.50952%0.522SS..Hα-helixtrans-63.8-40.3176174.1-177.5163.1-146.90112.2L184 E185 C186 K192L184-K188 VanDerWaalsContact O-CB 3.28Å; L184-K188 WeakPolarHBondContact O-CB 3.47Å; L184-K188 PolarHBondContact O-N 2.92Å; E185-K188 PolarHBondContact O-N 3.4Å; E185-K188 WeakPolarHBondContact OE1-CD 3.42Å; E185-K188 IonicContact OE1-NZ 3.92Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; E185-K188 IonicContact OE2-NZ 3.25Å; E185-K188 PolarHBondContact OE2-NZ 2.83Å; C186-K188 VanDerWaalsContact C-N 3.32Å; C186-K188 PolarHBondContact O-N 2.82Å; K188-K192 PolarHBondContact O-N 3.12Å
189A98.3Very high98.4Very high62 Ų6292.3 Ų92.351%0.51251%0.514SS..Hα-helixtrans-66.5-43.7173.900000112E185 C186 K192 A193E185-A189 WeakPolarHBondContact O-CB 3.25Å; E185-A189 PolarHBondContact O-N 3.2Å; C186-A189 PolarHBondContact O-N 3.2Å; A189-K192 PolarHBondContact O-N 3.07Å; A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.37Å
190T98.6Very high98.3Very high96 Ų9692.3 Ų92.359%0.58952%0.518SS*.Hα-helixtrans-60.7-46174.5-57.50000111.8C186 K187 K192 A193 A194C186-T190 PolarHBondContact O-N 3.48Å; C186-T190 PolarHBondContact O-OG1 3.18Å; C186-T190 VanDerWaalsContact O-OG1 3.08Å; K187-T190 PolarHBondContact O-N 3.46Å; T190-K192 PolarHBondContact O-N 2.95Å; T190-A193 PolarHBondContact O-N 3.05Å; T190-A194 PolarHBondContact O-N 3.06Å
191N98.5Very high98.3Very high86 Ų8690.4 Ų90.446%0.4651%0.511SS..Hα-helixtrans-57.6-49.5175.4-75.510.9000111.2K187 A193 A194 E195K187-N191 WeakPolarHBondContact O-CB 3.39Å; K187-N191 VanDerWaalsContact O-CG 3.29Å; K187-N191 PolarHBondContact O-N 3.42Å; K187-N191 PolarHBondContact O-OD1 2.85Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.43Å; N191-A194 WeakPolarHBondContact O-CB 3.48Å; N191-A194 PolarHBondContact O-N 3.03Å; N191-A194 VanDerWaalsContact O-N 3.15Å; N191-E195 WeakPolarHBondContact O-CG 3.4Å; N191-E195 PolarHBondContact O-N 3.01Å
192K98.4Very high98.3Very high131 Ų13188.9 Ų88.957%0.5750%0.503SS*.Hα-helixtrans-62.7-38.9178.5-172.1176.1-180-178.20112.3K188 A189 T190 A194 E195 E196K188-K192 PolarHBondContact O-N 3.12Å; A189-K192 PolarHBondContact O-N 3.07Å; T190-K192 PolarHBondContact O-N 2.95Å; K192-A194 VanDerWaalsContact C-N 3.32Å; K192-A194 PolarHBondContact O-N 3.06Å; K192-E195 PolarHBondContact O-N 2.71Å; K192-E196 WeakPolarHBondContact O-CG 3.46Å; K192-E196 PolarHBondContact O-N 2.73Å
193A98.4Very high98.3Very high67 Ų6788.8 Ų88.855%0.55450%0.502SS*.Hα-helixtrans-63.6-37.4175.300000112.1A189 T190 N191 G197A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.37Å; T190-A193 PolarHBondContact O-N 3.05Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.43Å; A193-G197 PolarHBondContact O-N 2.83Å
194A98.3Very high98.2Very high66 Ų6687.6 Ų87.655%0.54550%0.498SS..Hα-helixtrans-67.5-41.2173.500000112.3T190 N191 K192 G197 Q198T190-A194 PolarHBondContact O-N 3.06Å; N191-A194 WeakPolarHBondContact O-CB 3.48Å; N191-A194 PolarHBondContact O-N 3.03Å; N191-A194 VanDerWaalsContact O-N 3.15Å; K192-A194 VanDerWaalsContact C-N 3.32Å; K192-A194 PolarHBondContact O-N 3.06Å; A194-G197 PolarHBondContact O-N 2.81Å; A194-Q198 PolarHBondContact O-N 3.23Å
195E98Very high98.2Very high103 Ų10388.5 Ų88.548%0.48150%0.502SS..Hα-helixtrans-62.1-45174.7-71.3172-147.700112.6N191 K192 G197 Q198 K199N191-E195 WeakPolarHBondContact O-CG 3.4Å; N191-E195 PolarHBondContact O-N 3.01Å; K192-E195 PolarHBondContact O-N 2.71Å; E195-G197 VanDerWaalsContact C-N 3.34Å; E195-Q198 PolarHBondContact O-N 3.38Å; E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 VanDerWaalsContact O-CG 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 IonicContact OE2-NZ 2.91Å
196E97.3Very high98.2Very high92 Ų9289.8 Ų89.843%0.4351%0.507SS..Hα-helixtrans-68.4-33.7175-61.5-50.5144.500112K192 K199 A200K192-E196 WeakPolarHBondContact O-CG 3.46Å; K192-E196 PolarHBondContact O-N 2.73Å; E196-K199 PolarHBondContact O-N 2.98Å; E196-K199 IonicContact OE1-NZ 2.68Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 WeakPolarHBondContact OE2-CD 3.26Å; E196-K199 IonicContact OE2-NZ 2.93Å; E196-A200 VanDerWaalsContact O-CB 3.31Å; E196-A200 WeakPolarHBondContact O-CB 3.48Å; E196-A200 PolarHBondContact O-N 3.19Å
197G98Very high98.2Very high43 Ų4391.4 Ų91.444%0.44351%0.51SS..Hα-helixtrans-60.8-43.5170.500000112.9A193 A194 E195 A200 G201A193-G197 PolarHBondContact O-N 2.83Å; A194-G197 PolarHBondContact O-N 2.81Å; E195-G197 VanDerWaalsContact C-N 3.34Å; G197-A200 PolarHBondContact O-N 3.5Å; G197-G201 PolarHBondContact O-N 3.46Å
198Q98.1Very high98.1Very high126 Ų12689.8 Ų89.859%0.58951%0.505SS*.Hα-helixtrans-61.9-50.1173.7-176.2-170.8-35.200111.1A194 E195 A200 G201 E202A194-Q198 PolarHBondContact O-N 3.23Å; E195-Q198 PolarHBondContact O-N 3.38Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 2.85Å; Q198-G201 PolarHBondContact O-N 2.82Å; Q198-G201 VanDerWaalsContact O-N 3.1Å; Q198-E202 PolarHBondContact NE2-OE1 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å
199K98.3Very high98.1Very high84 Ų8491.7 Ų91.737%0.36551%0.513SS..Hα-helixtrans-57.4-42.4178.3-69.1157.9-174147.90111.6E195 E196 E202 L203E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 VanDerWaalsContact O-CG 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 IonicContact OE2-NZ 2.91Å; E196-K199 PolarHBondContact O-N 2.98Å; E196-K199 IonicContact OE1-NZ 2.68Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 WeakPolarHBondContact OE2-CD 3.26Å; E196-K199 IonicContact OE2-NZ 2.93Å; K199-E202 PolarHBondContact O-N 3.04Å; K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 VanDerWaalsContact O-CG 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.25Å; K199-L203 PolarHBondContact O-N 3.45Å
200A97.9Very high98.1Very high57 Ų5792.4 Ų92.447%0.47151%0.506SS..Hα-helixtrans-63.8-41.5175.500000112.1E196 G197 Q198 L203 S204E196-A200 VanDerWaalsContact O-CB 3.31Å; E196-A200 WeakPolarHBondContact O-CB 3.48Å; E196-A200 PolarHBondContact O-N 3.19Å; G197-A200 PolarHBondContact O-N 3.5Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 2.85Å; A200-L203 PolarHBondContact O-N 2.93Å; A200-S204 VanDerWaalsContact O-CB 3.31Å; A200-S204 WeakPolarHBondContact O-CB 3.17Å; A200-S204 PolarHBondContact O-N 3.2Å
201G98Very high98Very high42 Ų4292.8 Ų92.843%0.43350%0.499SS..Hα-helixtrans-61.4-45.1173.200000112.9G197 Q198 L203 S204 L205G197-G201 PolarHBondContact O-N 3.46Å; Q198-G201 PolarHBondContact O-N 2.82Å; Q198-G201 VanDerWaalsContact O-N 3.1Å; G201-L203 PolarHBondContact O-N 3.38Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.23Å; G201-L205 WeakPolarHBondContact O-CB 3.29Å; G201-L205 PolarHBondContact O-N 2.8Å
202E98.1Very high98Very high81 Ų8191.4 Ų91.438%0.37950%0.497SS..Hα-helixtrans-63.3-39.9175.6-73.1-176.9-146.400113Q198 K199 K206Q198-E202 PolarHBondContact NE2-OE1 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å; K199-E202 PolarHBondContact O-N 3.04Å; E202-K206 VanDerWaalsContact O-CD 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.44Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 3.17Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 2.91Å
203L97.9Very high98Very high111 Ų11191.1 Ų91.158%0.58149%0.492SS*.Hα-helixtrans-68.8-38.2175.4-72.7171.4000111.6K199 A200 G201 K206 L207K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 VanDerWaalsContact O-CG 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.25Å; K199-L203 PolarHBondContact O-N 3.45Å; A200-L203 PolarHBondContact O-N 2.93Å; G201-L203 PolarHBondContact O-N 3.38Å; L203-K206 HydrophobicContact CD2-CD 4.46Å; L203-K206 PolarHBondContact O-N 2.93Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.19Å
204S97.8Very high98Very high70 Ų7090.8 Ų90.849%0.4948%0.483SS..Hα-helixtrans-61.8-44.8173.6-171.50000111.5A200 G201 K206 L207 E208A200-S204 VanDerWaalsContact O-CB 3.31Å; A200-S204 WeakPolarHBondContact O-CB 3.17Å; A200-S204 PolarHBondContact O-N 3.2Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.23Å; S204-K206 PolarHBondContact O-N 3.46Å; S204-L207 PolarHBondContact O-N 3.03Å; S204-E208 WeakPolarHBondContact O-CB 3.2Å; S204-E208 PolarHBondContact O-N 2.92Å
205L98.3Very high97.9Very high130 Ų13091 Ų9168%0.68148%0.48SS*.Hα-helixtrans-61.5-41.9174.8-17570.2000112.4G201 K209G201-L205 WeakPolarHBondContact O-CB 3.29Å; G201-L205 PolarHBondContact O-N 2.8Å; L205-K209 WeakPolarHBondContact O-CB 3.41Å; L205-K209 PolarHBondContact O-N 3.48Å
206K98.1Very high97.9Very high118 Ų11891.9 Ų91.951%0.51348%0.483SS..Hα-helixtrans-64.1-42.9175.5-72158.2-171.1154.50111.3E202 L203 S204 E210E202-K206 VanDerWaalsContact O-CD 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.44Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 3.17Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 2.91Å; L203-K206 HydrophobicContact CD2-CD 4.46Å; L203-K206 PolarHBondContact O-N 2.93Å; S204-K206 PolarHBondContact O-N 3.46Å; K206-E210 PolarHBondContact O-N 2.97Å; K206-E210 VanDerWaalsContact O-N 3.08Å
207L97.8Very high97.9Very high102 Ų10291.3 Ų91.353%0.53448%0.482SS..Hα-helixtrans-63.8-45.2176.1176.162.3000111.9L203 S204 E210 K211L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.19Å; S204-L207 PolarHBondContact O-N 3.03Å; L207-E210 PolarHBondContact O-N 3.11Å; L207-K211 HydrophobicContact CD1-CG 4.47Å; L207-K211 WeakPolarHBondContact O-CG 3.23Å; L207-K211 PolarHBondContact O-N 3.38Å
208E97.8Very high97.9Very high102 Ų10295.2 Ų95.248%0.47749%0.489SS..Hα-helixtrans-67.5-37.6-179.6-158.158.7-134.400111.7S204 E210 K211 S212S204-E208 WeakPolarHBondContact O-CB 3.2Å; S204-E208 PolarHBondContact O-N 2.92Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E208-E210 PolarHBondContact O-N 3Å; E208-K211 PolarHBondContact O-N 3.37Å; E208-K211 IonicContact OE1-NZ 3.05Å; E208-K211 WeakPolarHBondContact OE2-CD 3.32Å; E208-K211 IonicContact OE2-NZ 3.75Å; E208-K211 PolarHBondContact OE2-NZ 2.92Å; E208-S212 WeakPolarHBondContact O-CB 3.41Å; E208-S212 PolarHBondContact O-N 3.45Å
209K98.3Very high97.9Very high156 Ų15696 Ų9668%0.67849%0.492SS*.Hα-helixtrans-57.4-46.6169.7-177.3176.6178.3179.70111.2L205 S212 R213L205-K209 WeakPolarHBondContact O-CB 3.41Å; L205-K209 PolarHBondContact O-N 3.48Å; K209-S212 PolarHBondContact O-N 3.32Å; K209-S212 PolarHBondContact O-OG 3.35Å; K209-R213 PolarHBondContact O-N 3Å; K209-R213 VanDerWaalsContact O-N 3.15Å
210E97.5Very high97.9Very high78 Ų7897.7 Ų97.736%0.36450%0.501SS..Hα-helixtrans-72-37.7-178.8-16857.7-161.800112.8K206 L207 E208 S212 R213 V214K206-E210 PolarHBondContact O-N 2.97Å; K206-E210 VanDerWaalsContact O-N 3.08Å; L207-E210 PolarHBondContact O-N 3.11Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E208-E210 PolarHBondContact O-N 3Å; E210-S212 VanDerWaalsContact C-N 3.31Å; E210-S212 PolarHBondContact O-N 2.94Å; E210-R213 VanDerWaalsContact CD-NE 3.3Å; E210-R213 CarbonylContact O-C 3.54Å; E210-R213 WeakPolarHBondContact O-CA 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.82Å; E210-R213 IonicContact OE1-CZ 2.71Å; E210-R213 IonicContact OE1-NE 2.74Å; E210-R213 PolarHBondContact OE1-NE 3.49Å; E210-R213 IonicContact OE1-NH2 3.74Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 3.21Å; E210-R213 PolarHBondContact OE2-NE 2.78Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.25Å
211K97.9Very high97.8Very high103 Ų10398.9 Ų98.945%0.44850%0.5SS..Hα-helixtrans-54.6-46.5168.4-72.5177.8-169.3165.20111.6L207 E208 R213 V214 S215L207-K211 HydrophobicContact CD1-CG 4.47Å; L207-K211 WeakPolarHBondContact O-CG 3.23Å; L207-K211 PolarHBondContact O-N 3.38Å; E208-K211 PolarHBondContact O-N 3.37Å; E208-K211 IonicContact OE1-NZ 3.05Å; E208-K211 WeakPolarHBondContact OE2-CD 3.32Å; E208-K211 IonicContact OE2-NZ 3.75Å; E208-K211 PolarHBondContact OE2-NZ 2.92Å; K211-R213 PolarHBondContact O-N 3.2Å; K211-V214 PolarHBondContact O-N 2.92Å; K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 3.15Å
212S98Very high97.8Very high58 Ų5899.4 Ų99.441%0.40650%0.5SS..Hα-helixtrans-64.3-22.5178.182.80000113.1E208 K209 E210 K216E208-S212 WeakPolarHBondContact O-CB 3.41Å; E208-S212 PolarHBondContact O-N 3.45Å; K209-S212 PolarHBondContact O-N 3.32Å; K209-S212 PolarHBondContact O-OG 3.35Å; E210-S212 VanDerWaalsContact C-N 3.31Å; E210-S212 PolarHBondContact O-N 2.94Å; S212-K216 WeakPolarHBondContact O-CD 3.29Å; S212-K216 VanDerWaalsContact O-CG 3.3Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å
213R98Very high97.8Very high125 Ų12597.5 Ų97.547%0.47250%0.498SS..Hα-helixtrans-84.3-41.6175.7-155.4-174.272.177.78.8111.5K209 E210 K211 K216 L217K209-R213 PolarHBondContact O-N 3Å; K209-R213 VanDerWaalsContact O-N 3.15Å; E210-R213 VanDerWaalsContact CD-NE 3.3Å; E210-R213 CarbonylContact O-C 3.54Å; E210-R213 WeakPolarHBondContact O-CA 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.82Å; E210-R213 IonicContact OE1-CZ 2.71Å; E210-R213 IonicContact OE1-NE 2.74Å; E210-R213 PolarHBondContact OE1-NE 3.49Å; E210-R213 IonicContact OE1-NH2 3.74Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 3.21Å; E210-R213 PolarHBondContact OE2-NE 2.78Å; K211-R213 PolarHBondContact O-N 3.2Å; R213-K216 PolarHBondContact O-N 2.91Å; R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.46Å; R213-L217 VanDerWaalsContact O-N 3.12Å
214V97.7Very high97.7Very high59 Ų5996.9 Ų96.936%0.35849%0.492SS..Hα-helixtrans-60.8-48.9172.4171.60000110.5E210 K211 K216 L217 E218E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.25Å; K211-V214 PolarHBondContact O-N 2.92Å; V214-K216 VanDerWaalsContact C-N 3.27Å; V214-K216 PolarHBondContact O-N 3.42Å; V214-L217 CarbonylContact O-C 3.51Å; V214-L217 PolarHBondContact O-N 3.38Å; V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CG 3.49Å; V214-E218 PolarHBondContact O-N 2.78Å
215S97.5Very high97.7Very high70 Ų70101.1 Ų101.149%0.4950%0.497SS..Hα-helixtrans-58.3-36.2179.2173.10000113.1K211 E218 E219K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 3.15Å; S215-E218 PolarHBondContact O-N 2.82Å; S215-E219 PolarHBondContact O-N 2.93Å
216K98.1Very high97.6Very high123 Ų123102.1 Ų102.154%0.53550%0.496SS..Hα-helixtrans-68-44.2173.2-72.8171.9-176.8-177.10112.3S212 R213 V214 E218 E219 E220S212-K216 WeakPolarHBondContact O-CD 3.29Å; S212-K216 VanDerWaalsContact O-CG 3.3Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å; R213-K216 PolarHBondContact O-N 2.91Å; V214-K216 VanDerWaalsContact C-N 3.27Å; V214-K216 PolarHBondContact O-N 3.42Å; K216-E218 VanDerWaalsContact C-N 3.28Å; K216-E218 PolarHBondContact O-N 2.92Å; K216-E219 PolarHBondContact O-N 3.16Å; K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 VanDerWaalsContact O-CG 3.32Å; K216-E220 WeakPolarHBondContact O-CG 3.35Å; K216-E220 PolarHBondContact O-N 2.82Å
217L97.9Very high97.6Very high79 Ų79102.5 Ų102.541%0.41449%0.494SS..Hα-helixtrans-64.7-32.6175.6-68.8172.7000112.3R213 V214 L221R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.46Å; R213-L217 VanDerWaalsContact O-N 3.12Å; V214-L217 CarbonylContact O-C 3.51Å; V214-L217 PolarHBondContact O-N 3.38Å; L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.36Å
218E97.4Very high97.6Very high125 Ų12599.1 Ų99.158%0.58448%0.484SS*.Hα-helixtrans-68.3-40.5172.9-72.2178.6146.900112V214 S215 K216 A222V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CG 3.49Å; V214-E218 PolarHBondContact O-N 2.78Å; S215-E218 PolarHBondContact O-N 2.82Å; K216-E218 VanDerWaalsContact C-N 3.28Å; K216-E218 PolarHBondContact O-N 2.92Å; E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 3.17Å
219E97.5Very high97.5Very high143 Ų14399.7 Ų99.767%0.66849%0.49SS*.Hα-helixtrans-65.1-47.4173.4-175.4176-167.800111.8S215 K216 L221 A222 A223S215-E219 PolarHBondContact O-N 2.93Å; K216-E219 PolarHBondContact O-N 3.16Å; E219-L221 PolarHBondContact O-N 3.4Å; E219-A222 PolarHBondContact O-N 3.35Å; E219-A223 WeakPolarHBondContact O-CB 3.19Å; E219-A223 PolarHBondContact O-N 3.36Å
220E97.6Very high97.5Very high119 Ų11998.4 Ų98.456%0.55649%0.486SS*.Hα-helixtrans-59-44.2175.2-73.3169.3-158.500111.6K216 A223 E224K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 VanDerWaalsContact O-CG 3.32Å; K216-E220 WeakPolarHBondContact O-CG 3.35Å; K216-E220 PolarHBondContact O-N 2.82Å; E220-A223 PolarHBondContact O-N 2.84Å; E220-E224 PolarHBondContact O-N 3.37Å
221L97.4Very high97.4Very high83 Ų8398.7 Ų98.744%0.43549%0.493SS..Hα-helixtrans-69.6-34.1177.6-178.362.4000112.6L217 E219 R225L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.36Å; E219-L221 PolarHBondContact O-N 3.4Å; L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 VanDerWaalsContact O-CG 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 2.94Å
222A97.5Very high97.3Very high53 Ų5399.7 Ų99.744%0.43850%0.5SS..Hα-helixtrans-68.5-39.8172.500000111.6E218 E219 R225 K226E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 3.17Å; E219-A222 PolarHBondContact O-N 3.35Å; A222-R225 PolarHBondContact O-N 2.97Å; A222-K226 WeakPolarHBondContact O-CB 3.32Å; A222-K226 PolarHBondContact O-N 3.15Å
223A97.6Very high97.2Very high41 Ų4199.4 Ų99.434%0.33950%0.501SS..Hα-helixtrans-63.5-41.8173.200000111.7E219 E220 K226 R227E219-A223 WeakPolarHBondContact O-CB 3.19Å; E219-A223 PolarHBondContact O-N 3.36Å; E220-A223 PolarHBondContact O-N 2.84Å; A223-K226 PolarHBondContact O-N 2.85Å; A223-R227 PolarHBondContact O-N 3.09Å
224E96.3Very high97.2Very high97 Ų9799.3 Ų99.345%0.45351%0.506SS..Hα-helixtrans-66.5-43.7176.2-16567.2-85.700112.3E220 K226 R227 G228E220-E224 PolarHBondContact O-N 3.37Å; E224-K226 VanDerWaalsContact C-N 3.26Å; E224-K226 PolarHBondContact O-N 3.21Å; E224-R227 WeakPolarHBondContact O-CB 3.49Å; E224-R227 PolarHBondContact O-N 3.21Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 3.09Å; E224-R227 IonicContact OE1-NE 3.37Å; E224-R227 PolarHBondContact OE1-NE 3.17Å; E224-R227 IonicContact OE1-NH2 2.66Å; E224-R227 PolarHBondContact OE1-NH2 2.89Å; E224-R227 IonicContact OE2-CZ 2.72Å; E224-R227 IonicContact OE2-NE 3.63Å; E224-R227 IonicContact OE2-NH2 3.73Å; E224-R227 PolarHBondContact OE2-NH2 2.9Å; E224-G228 PolarHBondContact O-N 3.32Å
225R97.4Very high97.1Very high159 Ų159100.7 Ų100.760%0.651%0.514SS*.Hα-helixtrans-57.1-40.6172.9-76.3173.2178.6137.4-1.7112L221 A222 G228 L229L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 VanDerWaalsContact O-CG 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 2.94Å; A222-R225 PolarHBondContact O-N 2.97Å; R225-G228 PolarHBondContact O-N 3.09Å; R225-L229 WeakPolarHBondContact O-CG 3.33Å; R225-L229 PolarHBondContact O-N 3.12Å
226K97.4Very high97.1Very high152 Ų152103.9 Ų103.966%0.66152%0.522SS*.Hα-helixtrans-65.8-39.5175.9-174.3179.2176.8-177.20112.2A222 A223 E224 Q230A222-K226 WeakPolarHBondContact O-CB 3.32Å; A222-K226 PolarHBondContact O-N 3.15Å; A223-K226 PolarHBondContact O-N 2.85Å; E224-K226 VanDerWaalsContact C-N 3.26Å; E224-K226 PolarHBondContact O-N 3.21Å; K226-Q230 WeakPolarHBondContact O-CB 3.31Å; K226-Q230 PolarHBondContact O-N 3.42Å; K226-Q230 VanDerWaalsContact O-N 3.11Å
227R97.1Very high97.1Very high125 Ų125103.4 Ų103.447%0.47252%0.519SS..Hα-helixtrans-63-47.2172.4-73.5-169.4-67.9-105.48.2111.4A223 E224 Q230 T231A223-R227 PolarHBondContact O-N 3.09Å; E224-R227 WeakPolarHBondContact O-CB 3.49Å; E224-R227 PolarHBondContact O-N 3.21Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 3.09Å; E224-R227 IonicContact OE1-NE 3.37Å; E224-R227 PolarHBondContact OE1-NE 3.17Å; E224-R227 IonicContact OE1-NH2 2.66Å; E224-R227 PolarHBondContact OE1-NH2 2.89Å; E224-R227 IonicContact OE2-CZ 2.72Å; E224-R227 IonicContact OE2-NE 3.63Å; E224-R227 IonicContact OE2-NH2 3.73Å; E224-R227 PolarHBondContact OE2-NH2 2.9Å; R227-Q230 WeakPolarHBondContact O-CB 3.46Å; R227-Q230 PolarHBondContact O-N 3.39Å; R227-Q230 VanDerWaalsContact O-N 3.14Å; R227-T231 PolarHBondContact O-N 3.41Å; R227-T231 PolarHBondContact O-OG1 2.51Å
228G96.8Very high97.1Very high31 Ų31104.1 Ų104.132%0.3252%0.521SS..Hα-helixtrans-53.7-55.7177.200000112.3E224 R225 Q230 T231 E232E224-G228 PolarHBondContact O-N 3.32Å; R225-G228 PolarHBondContact O-N 3.09Å; G228-Q230 VanDerWaalsContact C-N 3.27Å; G228-Q230 PolarHBondContact O-N 3.37Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 VanDerWaalsContact O-N 3.1Å; G228-T231 PolarHBondContact O-OG1 2.99Å; G228-E232 WeakPolarHBondContact O-CB 3.18Å; G228-E232 PolarHBondContact O-N 3.27Å
229L97.3Very high97Very high114 Ų114103 Ų10360%0.59752%0.518SS*.Hα-helixtrans-58.3-36.6176.7-70.5168.9000112.9R225 A233R225-L229 WeakPolarHBondContact O-CG 3.33Å; R225-L229 PolarHBondContact O-N 3.12Å; L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å
230Q96.9Very high97Very high130 Ų13098.9 Ų98.961%0.60751%0.505SS*.Hα-helixtrans-67-42.7175.6-178179.3-4.300111.9K226 R227 G228 Q234K226-Q230 WeakPolarHBondContact O-CB 3.31Å; K226-Q230 PolarHBondContact O-N 3.42Å; K226-Q230 VanDerWaalsContact O-N 3.11Å; R227-Q230 WeakPolarHBondContact O-CB 3.46Å; R227-Q230 PolarHBondContact O-N 3.39Å; R227-Q230 VanDerWaalsContact O-N 3.14Å; G228-Q230 VanDerWaalsContact C-N 3.27Å; G228-Q230 PolarHBondContact O-N 3.37Å; Q230-Q234 WeakPolarHBondContact O-CB 3.36Å; Q230-Q234 PolarHBondContact O-N 3.01Å; Q230-Q234 VanDerWaalsContact O-N 3.11Å
231T96.4Very high97Very high83 Ų8396.3 Ų96.351%0.50949%0.493SS..Hα-helixtrans-70-36.1176.8500000112.6R227 G228 Q234 V235R227-T231 PolarHBondContact O-N 3.41Å; R227-T231 PolarHBondContact O-OG1 2.51Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 VanDerWaalsContact O-N 3.1Å; G228-T231 PolarHBondContact O-OG1 2.99Å; T231-Q234 PolarHBondContact O-N 3.24Å; T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3.27Å
232E95.7Very high96.9Very high124 Ų12498.1 Ų98.158%0.57950%0.498SS*.Hα-helixtrans-61.8-52.3175.3-176.2171-154.800110.7G228 Q234 V235 E236G228-E232 WeakPolarHBondContact O-CB 3.18Å; G228-E232 PolarHBondContact O-N 3.27Å; E232-Q234 VanDerWaalsContact C-N 3.27Å; E232-Q234 PolarHBondContact O-N 3.04Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.11Å; E232-E236 PolarHBondContact O-N 3.29Å
233A96.7Very high97Very high53 Ų5399 Ų9944%0.43850%0.495SS..Hα-helixtrans-62-31.4176.100000113.3L229 K237L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å; A233-K237 VanDerWaalsContact O-CB 3.3Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.89Å
234Q96.1Very high96.9Very high123 Ų123101.8 Ų101.858%0.57550%0.503SS*.Hα-helixtrans-68.9-40.2174-177.3175.8-9.300112Q230 T231 E232 Q238Q230-Q234 WeakPolarHBondContact O-CB 3.36Å; Q230-Q234 PolarHBondContact O-N 3.01Å; Q230-Q234 VanDerWaalsContact O-N 3.11Å; T231-Q234 PolarHBondContact O-N 3.24Å; E232-Q234 VanDerWaalsContact C-N 3.27Å; E232-Q234 PolarHBondContact O-N 3.04Å; Q234-Q238 VanDerWaalsContact O-CG 3.32Å; Q234-Q238 WeakPolarHBondContact O-CG 3.35Å; Q234-Q238 PolarHBondContact O-N 3.39Å; Q234-Q238 VanDerWaalsContact O-N 3.13Å
235V97.6Very high96.9Very high88 Ų88102.2 Ų102.253%0.53351%0.505SS..Hα-helixtrans-71.2-41.9176.6171.70000111.1T231 E232 K237 Q238 L239T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3.27Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.11Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.74Å; V235-Q238 PolarHBondContact O-N 2.92Å; V235-L239 HydrophobicContact CG1-CD1 4Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 2.95Å
236E96.2Very high96.9Very high137 Ų13799.5 Ų99.564%0.6450%0.495SS*.Hα-helixtrans-59.1-44.6174.3-174.6179.3-151.200111.4E232 Q238 L239 S240E232-E236 PolarHBondContact O-N 3.29Å; E236-Q238 PolarHBondContact O-N 2.95Å; E236-L239 PolarHBondContact O-N 3.01Å; E236-S240 PolarHBondContact O-N 3.47Å
237K97.8Very high96.8Very high112 Ų11296.9 Ų96.949%0.48749%0.485SS..Hα-helixtrans-56.8-50173.5-178.8-179.9172.8-68.60111.5A233 V235 L239 S240 E241A233-K237 VanDerWaalsContact O-CB 3.3Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.89Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.74Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.35Å; K237-S240 PolarHBondContact O-N 3.24Å; K237-S240 VanDerWaalsContact O-N 3.17Å; K237-S240 PolarHBondContact O-OG 3.2Å; K237-E241 IonicContact NZ-OE1 2.73Å; K237-E241 PolarHBondContact NZ-OE1 3.48Å; K237-E241 IonicContact NZ-OE2 3.55Å; K237-E241 PolarHBondContact NZ-OE2 3.41Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.07Å
238Q97.8Very high96.8Very high94 Ų9495.8 Ų95.844%0.43949%0.485SS..Hα-helixtrans-62.8-39178.9-71.1-87.6-96.500112.5Q234 V235 E236 E241 F242Q234-Q238 VanDerWaalsContact O-CG 3.32Å; Q234-Q238 WeakPolarHBondContact O-CG 3.35Å; Q234-Q238 PolarHBondContact O-N 3.39Å; Q234-Q238 VanDerWaalsContact O-N 3.13Å; V235-Q238 PolarHBondContact O-N 2.92Å; E236-Q238 PolarHBondContact O-N 2.95Å; Q238-E241 PolarHBondContact NE2-OE2 3.34Å; Q238-E241 PolarHBondContact O-N 3.3Å; Q238-F242 WeakPolarHBondContact O-CD2 3.48Å; Q238-F242 PolarHBondContact O-N 3.45Å
239L97.1Very high96.8Very high102 Ų10299.5 Ų99.553%0.53450%0.497SS..Hα-helixtrans-61.8-43172.9-74.3167.4000111.4V235 E236 K237 E241 F242 D243V235-L239 HydrophobicContact CG1-CD1 4Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 2.95Å; E236-L239 PolarHBondContact O-N 3.01Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.35Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 3.49Å; L239-F242 PolarHBondContact O-N 2.91Å; L239-D243 WeakPolarHBondContact O-CB 3.26Å; L239-D243 PolarHBondContact O-N 2.74Å
240S96.6Very high96.7Very high57 Ų5799.8 Ų99.840%0.39949%0.49SS..Hα-helixtrans-63.5-35.6175.7790000112.7E236 K237 D243 I244E236-S240 PolarHBondContact O-N 3.47Å; K237-S240 PolarHBondContact O-N 3.24Å; K237-S240 VanDerWaalsContact O-N 3.17Å; K237-S240 PolarHBondContact O-OG 3.2Å; S240-D243 PolarHBondContact O-N 3.13Å; S240-I244 WeakPolarHBondContact O-CB 3.31Å; S240-I244 WeakPolarHBondContact O-CD1 3.46Å; S240-I244 VanDerWaalsContact O-CG1 3.23Å; S240-I244 WeakPolarHBondContact O-CG1 3.34Å; S240-I244 PolarHBondContact O-N 3Å
241E96.6Very high96.7Very high65 Ų6595.3 Ų95.330%0.30448%0.475SS..Hα-helixtrans-66.4-48.1175.6-70.8170.8137.700110.8K237 Q238 L239 D243 I244 E245K237-E241 IonicContact NZ-OE1 2.73Å; K237-E241 PolarHBondContact NZ-OE1 3.48Å; K237-E241 IonicContact NZ-OE2 3.55Å; K237-E241 PolarHBondContact NZ-OE2 3.41Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.07Å; Q238-E241 PolarHBondContact NE2-OE2 3.34Å; Q238-E241 PolarHBondContact O-N 3.3Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 3.49Å; E241-D243 VanDerWaalsContact C-N 3.34Å; E241-D243 PolarHBondContact O-N 3.3Å; E241-I244 PolarHBondContact O-N 2.96Å; E241-E245 WeakPolarHBondContact O-CG 3.5Å; E241-E245 PolarHBondContact O-N 3.45Å
242F97.2Very high96.6Very high121 Ų12196.8 Ų96.853%0.53148%0.475SS..Hα-helixtrans-63.2-35.6174-73.1-56.4000113.4Q238 L239 E245 R246Q238-F242 WeakPolarHBondContact O-CD2 3.48Å; Q238-F242 PolarHBondContact O-N 3.45Å; L239-F242 PolarHBondContact O-N 2.91Å; F242-E245 PolarHBondContact O-N 3.27Å; F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 PolarHBondContact O-N 3.36Å
243D97.8Very high96.6Very high71 Ų7195.7 Ų95.738%0.3847%0.472SS..Hα-helixtrans-66.5-41.5176.5-93.734.4000111.7L239 S240 E241 R246 E247L239-D243 WeakPolarHBondContact O-CB 3.26Å; L239-D243 PolarHBondContact O-N 2.74Å; S240-D243 PolarHBondContact O-N 3.13Å; E241-D243 VanDerWaalsContact C-N 3.34Å; E241-D243 PolarHBondContact O-N 3.3Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 3.2Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 3.8Å; D243-R246 PolarHBondContact OD1-NH2 3.11Å; D243-R246 VanDerWaalsContact OD1-NH2 3.09Å; D243-R246 IonicContact OD2-CZ 2.92Å; D243-R246 IonicContact OD2-NH1 3.64Å; D243-R246 IonicContact OD2-NH2 2.7Å; D243-R246 PolarHBondContact OD2-NH2 3.07Å; D243-E247 WeakPolarHBondContact O-CB 3.08Å; D243-E247 PolarHBondContact O-N 3.27Å
244I97.1Very high96.4Very high99 Ų9997.3 Ų97.351%0.50847%0.474SS..Hα-helixtrans-63.9-46.6172.8-71.3164.1000110.8S240 E241 E247 Q248S240-I244 WeakPolarHBondContact O-CB 3.31Å; S240-I244 WeakPolarHBondContact O-CD1 3.46Å; S240-I244 VanDerWaalsContact O-CG1 3.23Å; S240-I244 WeakPolarHBondContact O-CG1 3.34Å; S240-I244 PolarHBondContact O-N 3Å; E241-I244 PolarHBondContact O-N 2.96Å; I244-E247 PolarHBondContact O-N 2.78Å; I244-Q248 WeakPolarHBondContact O-CG 3.39Å; I244-Q248 PolarHBondContact O-N 3.05Å
245E96.3Very high96.3Very high107 Ų10798.5 Ų98.550%0.547%0.473SS..Hα-helixtrans-61.3-44.5177.2-75.5-176.4-179.100112.1E241 F242 E247 Q248 L249E241-E245 WeakPolarHBondContact O-CG 3.5Å; E241-E245 PolarHBondContact O-N 3.45Å; F242-E245 PolarHBondContact O-N 3.27Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3Å; E245-Q248 WeakPolarHBondContact O-CB 3.47Å; E245-Q248 PolarHBondContact O-N 3.36Å; E245-L249 WeakPolarHBondContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CG 3.47Å; E245-L249 PolarHBondContact O-N 3.45Å
246R96Very high96Very high102 Ų10299 Ų9939%0.38547%0.469SS..Hα-helixtrans-60.4-41.2176.3-175.9-175.467.3-132.7-5.4111.6F242 D243 L249 R250F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 PolarHBondContact O-N 3.36Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 3.2Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 3.8Å; D243-R246 PolarHBondContact OD1-NH2 3.11Å; D243-R246 VanDerWaalsContact OD1-NH2 3.09Å; D243-R246 IonicContact OD2-CZ 2.92Å; D243-R246 IonicContact OD2-NH1 3.64Å; D243-R246 IonicContact OD2-NH2 2.7Å; D243-R246 PolarHBondContact OD2-NH2 3.07Å; R246-L249 PolarHBondContact O-N 3.35Å; R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.45Å
247E96Very high95.8Very high97 Ų9797.5 Ų97.545%0.45346%0.463SS..Hα-helixtrans-73.8-34.9178.2-156.855.5-128.600112.3D243 I244 E245 L249 R250 A251D243-E247 WeakPolarHBondContact O-CB 3.08Å; D243-E247 PolarHBondContact O-N 3.27Å; I244-E247 PolarHBondContact O-N 2.78Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.05Å; E247-R250 PolarHBondContact O-N 2.68Å; E247-R250 WeakPolarHBondContact OE2-CD 3.44Å; E247-R250 IonicContact OE2-CZ 3.7Å; E247-R250 IonicContact OE2-NE 2.59Å; E247-R250 IonicContact OE2-NH1 2.61Å; E247-R250 PolarHBondContact OE2-NH1 3.47Å; E247-A251 VanDerWaalsContact O-CB 3.3Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 3.04Å
248Q96.6Very high95.5Very high102 Ų10296 Ų9648%0.47746%0.459SS..Hα-helixtrans-60.4-40.1168-72.7-178.236.900112I244 E245 A251 K252I244-Q248 WeakPolarHBondContact O-CG 3.39Å; I244-Q248 PolarHBondContact O-N 3.05Å; E245-Q248 WeakPolarHBondContact O-CB 3.47Å; E245-Q248 PolarHBondContact O-N 3.36Å; Q248-A251 PolarHBondContact O-N 2.78Å; Q248-K252 WeakPolarHBondContact O-CB 3.46Å; Q248-K252 VanDerWaalsContact O-CG 3.27Å; Q248-K252 WeakPolarHBondContact O-CG 3.5Å; Q248-K252 PolarHBondContact O-N 3.38Å
249L96.2Very high95.3Very high108 Ų10897.8 Ų97.857%0.56546%0.462SS*.Hα-helixtrans-68.9-42.8176.9-73.5169.8000111.9E245 R246 E247 A251 K252 L253E245-L249 WeakPolarHBondContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CG 3.47Å; E245-L249 PolarHBondContact O-N 3.45Å; R246-L249 PolarHBondContact O-N 3.35Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.05Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 2.75Å; L249-K252 HydrophobicContact CD2-CD 4.4Å; L249-K252 PolarHBondContact O-N 3.2Å; L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 PolarHBondContact O-N 2.91Å
250R96Very high94.9Very high121 Ų12196 Ų9646%0.45746%0.456SS..Hα-helixtrans-57.2-46.1170.2-75.2165.8174166.2-3.4111.6R246 E247 K252 L253 N254R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.45Å; E247-R250 PolarHBondContact O-N 2.68Å; E247-R250 WeakPolarHBondContact OE2-CD 3.44Å; E247-R250 IonicContact OE2-CZ 3.7Å; E247-R250 IonicContact OE2-NE 2.59Å; E247-R250 IonicContact OE2-NH1 2.61Å; E247-R250 PolarHBondContact OE2-NH1 3.47Å; R250-K252 VanDerWaalsContact C-N 3.31Å; R250-K252 PolarHBondContact O-N 3.34Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-N254 VanDerWaalsContact O-CB 3.27Å; R250-N254 WeakPolarHBondContact O-CB 3.47Å; R250-N254 PolarHBondContact O-N 2.92Å
251A96Very high94.6Very high35 Ų3598.5 Ų98.529%0.28946%0.459SS..Hα-helixtrans-67.7-28.4177.700000112.8E247 Q248 L249 R255E247-A251 VanDerWaalsContact O-CB 3.3Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 3.04Å; Q248-A251 PolarHBondContact O-N 2.78Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 2.75Å; A251-R255 VanDerWaalsContact O-CG 3.27Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.07Å; A251-R255 PolarHBondContact O-NH1 2.88Å
252K96.3Very high94.3Very high115 Ų11598.6 Ų98.650%0.547%0.465SS..Hα-helixtrans-71.3-48.2170.6-75.8164.8-177.4169.90110.8Q248 L249 R250 N254 R255 E256Q248-K252 WeakPolarHBondContact O-CB 3.46Å; Q248-K252 VanDerWaalsContact O-CG 3.27Å; Q248-K252 WeakPolarHBondContact O-CG 3.5Å; Q248-K252 PolarHBondContact O-N 3.38Å; L249-K252 HydrophobicContact CD2-CD 4.4Å; L249-K252 PolarHBondContact O-N 3.2Å; R250-K252 VanDerWaalsContact C-N 3.31Å; R250-K252 PolarHBondContact O-N 3.34Å; K252-N254 PolarHBondContact O-N 3.12Å; K252-R255 WeakPolarHBondContact O-CB 3.48Å; K252-R255 PolarHBondContact O-N 3.26Å; K252-E256 PolarHBondContact O-N 2.91Å; K252-E256 VanDerWaalsContact O-N 3.12Å
253L94.4Very high93.9Very high100 Ų10097.6 Ų97.652%0.52446%0.464SS..Hα-helixtrans-56.3-52.1176.9178.662.5000111.3L249 R250 R255 E256 E257L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 PolarHBondContact O-N 2.91Å; R250-L253 PolarHBondContact O-N 3.23Å; L253-R255 PolarHBondContact O-N 3.46Å; L253-E256 CarbonylContact O-C 3.59Å; L253-E256 WeakPolarHBondContact O-CA 3.28Å; L253-E256 PolarHBondContact O-N 3.42Å; L253-E257 HydrophobicContact CD1-CG 4.12Å; L253-E257 HydrophobicContact CG-CG 4.21Å; L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 2.7Å
254N93.3Very high93.5Very high88 Ų88101 Ų10147%0.47148%0.476SS..Hα-helixtrans-59.1-33179.1-168.2-19.1000112.1R250 K252 N258R250-N254 VanDerWaalsContact O-CB 3.27Å; R250-N254 WeakPolarHBondContact O-CB 3.47Å; R250-N254 PolarHBondContact O-N 2.92Å; K252-N254 PolarHBondContact O-N 3.12Å; N254-N258 WeakPolarHBondContact O-CB 3.38Å; N254-N258 PolarHBondContact O-N 3.48Å; N254-N258 PolarHBondContact O-ND2 3.43Å; N254-N258 PolarHBondContact OD1-ND2 2.88Å
255R94Very high93.1Very high147 Ų147100.5 Ų100.556%0.55547%0.471SS*.Hα-helixtrans-68.9-37.1171.7-73.2175.5-170.8101.8-10.4112.9A251 K252 L253 R259A251-R255 VanDerWaalsContact O-CG 3.27Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.07Å; A251-R255 PolarHBondContact O-NH1 2.88Å; K252-R255 WeakPolarHBondContact O-CB 3.48Å; K252-R255 PolarHBondContact O-N 3.26Å; L253-R255 PolarHBondContact O-N 3.46Å; R255-R259 WeakPolarHBondContact O-CG 3.48Å; R255-R259 PolarHBondContact O-N 3.32Å; R255-R259 PolarHBondContact O-NH1 2.73Å
256E90.7Very high92.8Very high99 Ų99100 Ų10046%0.46347%0.469SS..Hα-helixtrans-75.5-34.5174.3-65.5-50.8144.800112.8K252 L253 R259 T260K252-E256 PolarHBondContact O-N 2.91Å; K252-E256 VanDerWaalsContact O-N 3.12Å; L253-E256 CarbonylContact O-C 3.59Å; L253-E256 WeakPolarHBondContact O-CA 3.28Å; L253-E256 PolarHBondContact O-N 3.42Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.97Å; E256-R259 IonicContact OE1-NH1 3.98Å; E256-R259 PolarHBondContact OE1-NH1 3.04Å; E256-R259 IonicContact OE1-NH2 3.41Å; E256-R259 IonicContact OE2-NH1 2.64Å; E256-T260 VanDerWaalsContact O-CB 3.25Å; E256-T260 WeakPolarHBondContact O-CB 3.34Å; E256-T260 PolarHBondContact O-N 3.04Å; E256-T260 PolarHBondContact O-OG1 3.08Å
257E92.6Very high92.3Very high106 Ų106101.5 Ų101.550%0.49548%0.482SS..Hα-helixtrans-62.9-43172-70.9175.7142.700110.9L253 T260 K261L253-E257 HydrophobicContact CD1-CG 4.12Å; L253-E257 HydrophobicContact CG-CG 4.21Å; L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 2.7Å; E257-T260 CarbonylContact O-C 3.58Å; E257-T260 PolarHBondContact O-N 3.29Å; E257-K261 WeakPolarHBondContact O-CB 3.38Å; E257-K261 PolarHBondContact O-N 3.33Å
258N92Very high91.9Very high79 Ų79103.7 Ų103.742%0.42249%0.492SS..Hα-helixtrans-66.4-42.4173.4-78.6-60.3000112.7N254 T260 K261 T262N254-N258 WeakPolarHBondContact O-CB 3.38Å; N254-N258 PolarHBondContact O-N 3.48Å; N254-N258 PolarHBondContact O-ND2 3.43Å; N254-N258 PolarHBondContact OD1-ND2 2.88Å; N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 3.33Å; N258-K261 WeakPolarHBondContact O-CB 3.45Å; N258-K261 PolarHBondContact O-N 3.07Å; N258-K261 VanDerWaalsContact O-N 3.15Å; N258-T262 PolarHBondContact O-N 3.47Å; N258-T262 PolarHBondContact O-OG1 3.11Å
259R92.4Very high91.2Very high133 Ų133101.7 Ų101.750%0.50249%0.489SS..Hα-helixtrans-58.7-43.7171.6-75.9-175.2-169.6100.7-19.1111.6R255 E256 K261 T262 L263R255-R259 WeakPolarHBondContact O-CG 3.48Å; R255-R259 PolarHBondContact O-N 3.32Å; R255-R259 PolarHBondContact O-NH1 2.73Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.97Å; E256-R259 IonicContact OE1-NH1 3.98Å; E256-R259 PolarHBondContact OE1-NH1 3.04Å; E256-R259 IonicContact OE1-NH2 3.41Å; E256-R259 IonicContact OE2-NH1 2.64Å; R259-K261 VanDerWaalsContact C-N 3.29Å; R259-K261 PolarHBondContact O-N 3.02Å; R259-T262 PolarHBondContact O-N 3.44Å; R259-L263 WeakPolarHBondContact O-CB 3.47Å; R259-L263 VanDerWaalsContact O-CG 3.29Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.89Å
260T88.5Confident90.7Very high65 Ų65101.1 Ų101.140%0.39949%0.486SS..Hα-helixtrans-64.7-33.7176.9-57.60000111.7E256 E257 N258 K264E256-T260 VanDerWaalsContact O-CB 3.25Å; E256-T260 WeakPolarHBondContact O-CB 3.34Å; E256-T260 PolarHBondContact O-N 3.04Å; E256-T260 PolarHBondContact O-OG1 3.08Å; E257-T260 CarbonylContact O-C 3.58Å; E257-T260 PolarHBondContact O-N 3.29Å; N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 3.33Å; T260-K264 HydrophobicContact CG2-CD 4.35Å; T260-K264 WeakPolarHBondContact O-CB 3.33Å; T260-K264 WeakPolarHBondContact O-CD 3.47Å; T260-K264 WeakPolarHBondContact O-CG 3.35Å; T260-K264 PolarHBondContact O-N 3.18Å
261K91.1Very high90.1Very high108 Ų108102.3 Ų102.347%0.4750%0.495SS..Hα-helixtrans-68.7-49.7173.9-176.6176.5177-68.20111.1E257 N258 R259 L263 K264 E265E257-K261 WeakPolarHBondContact O-CB 3.38Å; E257-K261 PolarHBondContact O-N 3.33Å; N258-K261 WeakPolarHBondContact O-CB 3.45Å; N258-K261 PolarHBondContact O-N 3.07Å; N258-K261 VanDerWaalsContact O-N 3.15Å; R259-K261 VanDerWaalsContact C-N 3.29Å; R259-K261 PolarHBondContact O-N 3.02Å; K261-L263 PolarHBondContact O-N 3.49Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.48Å; K261-K264 VanDerWaalsContact O-N 3.11Å; K261-E265 WeakPolarHBondContact CE-OE1 3.28Å; K261-E265 IonicContact NZ-OE1 3.47Å; K261-E265 PolarHBondContact NZ-OE1 3.17Å; K261-E265 IonicContact NZ-OE2 3.53Å; K261-E265 WeakPolarHBondContact O-CG 3.37Å; K261-E265 PolarHBondContact O-N 3.2Å
262T90.6Very high89.4Confident68 Ų68106.8 Ų106.842%0.41751%0.508SS..Hα-helixtrans-60.6-44.5175.5-57.20000111.7N258 R259 K264 E265 E266N258-T262 PolarHBondContact O-N 3.47Å; N258-T262 PolarHBondContact O-OG1 3.11Å; R259-T262 PolarHBondContact O-N 3.44Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 2.74Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact O-N 3.13Å; T262-E266 HydrophobicContact CG2-CG 4.46Å; T262-E266 WeakPolarHBondContact O-CB 3.36Å; T262-E266 WeakPolarHBondContact O-CG 3.35Å; T262-E266 PolarHBondContact O-N 3.14Å
263L88.6Confident88.7Confident100 Ų100105.6 Ų105.652%0.52451%0.506SS..Hα-helixtrans-62.6-31.9174.9-73.3167.5000112.8R259 K261 M267R259-L263 WeakPolarHBondContact O-CB 3.47Å; R259-L263 VanDerWaalsContact O-CG 3.29Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.89Å; K261-L263 PolarHBondContact O-N 3.49Å; L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.96Å
264K88.1Confident87.8Confident143 Ų143104.6 Ų104.662%0.62250%0.504SS*.Hα-helixtrans-71.7-40.3172-78.5168.8-179174.70112.1T260 K261 T262 M267 E268T260-K264 HydrophobicContact CG2-CD 4.35Å; T260-K264 WeakPolarHBondContact O-CB 3.33Å; T260-K264 WeakPolarHBondContact O-CD 3.47Å; T260-K264 WeakPolarHBondContact O-CG 3.35Å; T260-K264 PolarHBondContact O-N 3.18Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.48Å; K261-K264 VanDerWaalsContact O-N 3.11Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 2.74Å; K264-M267 PolarHBondContact O-N 3.46Å; K264-E268 WeakPolarHBondContact O-CB 3.29Å; K264-E268 PolarHBondContact O-N 3.41Å
265E89.3Confident87Confident88 Ų88106.6 Ų106.641%0.41151%0.509SS..Hα-helixtrans-66.8-39.9176.3-71.5165.216700111.2K261 T262 E268 S269K261-E265 WeakPolarHBondContact CE-OE1 3.28Å; K261-E265 IonicContact NZ-OE1 3.47Å; K261-E265 PolarHBondContact NZ-OE1 3.17Å; K261-E265 IonicContact NZ-OE2 3.53Å; K261-E265 WeakPolarHBondContact O-CG 3.37Å; K261-E265 PolarHBondContact O-N 3.2Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact O-N 3.13Å; E265-E268 PolarHBondContact O-N 3Å; E265-S269 WeakPolarHBondContact O-CB 3.33Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 3.18Å
266E90.1Very high85.9Confident97 Ų97103.7 Ų103.745%0.45350%0.504SS..Hα-helixtrans-61.1-51.2169.6-75.5176.5179.500111T262 E268 S269 L270T262-E266 HydrophobicContact CG2-CG 4.46Å; T262-E266 WeakPolarHBondContact O-CB 3.36Å; T262-E266 WeakPolarHBondContact O-CG 3.35Å; T262-E266 PolarHBondContact O-N 3.14Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.06Å; E266-S269 PolarHBondContact O-N 3.46Å; E266-S269 VanDerWaalsContact O-N 3.17Å; E266-S269 PolarHBondContact O-OG 3.08Å; E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.21Å; E266-L270 PolarHBondContact O-N 3.5Å
267M85.8Confident84.4Confident133 Ų133104.4 Ų104.466%0.65551%0.51SS*.Hα-helixtrans-60.3-36.3176.4-76.8-76.9172.500112.9L263 K264 K271L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.96Å; K264-M267 PolarHBondContact O-N 3.46Å; M267-K271 WeakPolarHBondContact O-CB 3.45Å; M267-K271 PolarHBondContact O-N 3.35Å
268E86.5Confident82.8Confident142 Ų142106 Ų10666%0.66452%0.518SS*.Hα-helixtrans-71.7-39.4174.7-176.1159.5-14400111.7K264 E265 E266 K271 K272K264-E268 WeakPolarHBondContact O-CB 3.29Å; K264-E268 PolarHBondContact O-N 3.41Å; E265-E268 PolarHBondContact O-N 3Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.06Å; E268-K271 PolarHBondContact O-N 2.94Å; E268-K272 WeakPolarHBondContact O-CB 3.37Å; E268-K272 PolarHBondContact O-N 3.05Å
269S83.9Confident81Confident60 Ų60106.4 Ų106.442%0.4253%0.532SS..Hα-helixtrans-65.4-41.1173.978.40000112.1E265 E266 K272 I273E265-S269 WeakPolarHBondContact O-CB 3.33Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 3.18Å; E266-S269 PolarHBondContact O-N 3.46Å; E266-S269 VanDerWaalsContact O-N 3.17Å; E266-S269 PolarHBondContact O-OG 3.08Å; S269-K272 WeakPolarHBondContact O-CB 3.48Å; S269-K272 PolarHBondContact O-N 2.86Å; S269-I273 WeakPolarHBondContact O-CB 3.41Å; S269-I273 VanDerWaalsContact O-CG1 3.27Å; S269-I273 WeakPolarHBondContact O-CG1 3.45Å; S269-I273 PolarHBondContact O-N 3.48Å
270L84.4Confident78.7Confident96 Ų96104.6 Ų104.650%0.50354%0.54SS..Hα-helixtrans-63.1-45.3173.3-79162.8000110.9E266 K272 I273 V274E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.21Å; E266-L270 PolarHBondContact O-N 3.5Å; L270-K272 VanDerWaalsContact C-N 3.26Å; L270-K272 PolarHBondContact O-N 2.97Å; L270-I273 PolarHBondContact O-N 3.15Å; L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.33Å
271K83.1Confident76.2Confident147 Ų147108.5 Ų108.564%0.63955%0.553SS**Hα-helixtrans-64-30.7175.1-175177.3-177179.80112.6M267 E268 K275M267-K271 WeakPolarHBondContact O-CB 3.45Å; M267-K271 PolarHBondContact O-N 3.35Å; E268-K271 PolarHBondContact O-N 2.94Å; K271-K275 PolarHBondContact O-N 3.24Å
272K81.8Confident73.5Confident128 Ų128111.2 Ų111.256%0.55757%0.568SS**Hα-helixtrans-72.9-46.1171.3-168.3-168.5171.7-163.70111.3E268 S269 L270 V274 K275 D276E268-K272 WeakPolarHBondContact O-CB 3.37Å; E268-K272 PolarHBondContact O-N 3.05Å; S269-K272 WeakPolarHBondContact O-CB 3.48Å; S269-K272 PolarHBondContact O-N 2.86Å; L270-K272 VanDerWaalsContact C-N 3.26Å; L270-K272 PolarHBondContact O-N 2.97Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.69Å; K272-K275 CarbonylContact O-C 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.36Å; K272-K275 WeakPolarHBondContact O-CB 3.4Å; K272-K275 PolarHBondContact O-N 3.02Å; K272-D276 VanDerWaalsContact CE-OD2 3.26Å; K272-D276 WeakPolarHBondContact CE-OD2 3.22Å; K272-D276 IonicContact NZ-OD2 2.68Å; K272-D276 WeakPolarHBondContact O-CB 3.4Å; K272-D276 VanDerWaalsContact O-CG 3.28Å; K272-D276 PolarHBondContact O-N 2.69Å
273I81.4Confident70.6Confident91 Ų91117 Ų11747%0.46759%0.589SS.*Hα-helixtrans-59.4-39.9175.7-70.4162000110.9S269 L270 D276 L277S269-I273 WeakPolarHBondContact O-CB 3.41Å; S269-I273 VanDerWaalsContact O-CG1 3.27Å; S269-I273 WeakPolarHBondContact O-CG1 3.45Å; S269-I273 PolarHBondContact O-N 3.48Å; L270-I273 PolarHBondContact O-N 3.15Å; I273-D276 PolarHBondContact O-N 2.96Å; I273-L277 HydrophobicContact CG2-CD1 3.84Å; I273-L277 HydrophobicContact CG2-CG 4.39Å; I273-L277 VanDerWaalsContact O-CB 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.48Å; I273-L277 VanDerWaalsContact O-CG 3.24Å; I273-L277 WeakPolarHBondContact O-CG 3.27Å; I273-L277 PolarHBondContact O-N 3.3Å
274V76.1Confident67.7Low79 Ų79118.1 Ų118.148%0.47961%0.606SS.*Hα-helixtrans-59.4-48.3172168.10000110.9L270 K272 D276 L277 E278L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.33Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.69Å; V274-D276 PolarHBondContact O-N 2.79Å; V274-L277 PolarHBondContact O-N 2.84Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 2.78Å
275K76.4Confident64.9Low130 Ų130116.4 Ų116.457%0.56561%0.612SS**Hα-helixtrans-62.5-40.8175.4-81-174.4167.8-165.80113.9K271 K272 L277 E278 A279K271-K275 PolarHBondContact O-N 3.24Å; K272-K275 CarbonylContact O-C 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.36Å; K272-K275 WeakPolarHBondContact O-CB 3.4Å; K272-K275 PolarHBondContact O-N 3.02Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-E278 PolarHBondContact O-N 2.93Å; K275-A279 VanDerWaalsContact O-CB 3.27Å; K275-A279 WeakPolarHBondContact O-CB 3.34Å; K275-A279 PolarHBondContact O-N 3.07Å
276D69.6Low62.7Low86 Ų86117.6 Ų117.646%0.4663%0.627SS.*Hα-helixtrans-72.1-28.7-178.7-66.1-13.8000110.4K272 I273 V274 S280K272-D276 VanDerWaalsContact CE-OD2 3.26Å; K272-D276 WeakPolarHBondContact CE-OD2 3.22Å; K272-D276 IonicContact NZ-OD2 2.68Å; K272-D276 WeakPolarHBondContact O-CB 3.4Å; K272-D276 VanDerWaalsContact O-CG 3.28Å; K272-D276 PolarHBondContact O-N 2.69Å; I273-D276 PolarHBondContact O-N 2.96Å; V274-D276 PolarHBondContact O-N 2.79Å; D276-S280 WeakPolarHBondContact O-CB 3.25Å; D276-S280 PolarHBondContact O-N 3.34Å
277L60.2Low59.6Low114 Ų114120.1 Ų120.160%0.59764%0.644SS**Hα-helixtrans-74.2-43.4169-75168.1000112.6I273 V274 K275 A279 S280 H281I273-L277 HydrophobicContact CG2-CD1 3.84Å; I273-L277 HydrophobicContact CG2-CG 4.39Å; I273-L277 VanDerWaalsContact O-CB 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.48Å; I273-L277 VanDerWaalsContact O-CG 3.24Å; I273-L277 WeakPolarHBondContact O-CG 3.27Å; I273-L277 PolarHBondContact O-N 3.3Å; V274-L277 PolarHBondContact O-N 2.84Å; K275-L277 VanDerWaalsContact C-N 3.3Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.16Å; L277-S280 PolarHBondContact O-N 3.41Å; L277-H281 PolarHBondContact O-N 2.96Å
278E59.2Low56.8Low139 Ų139120.2 Ų120.265%0.6564%0.642SS**Hα-helixtrans-56.6-42.6170.8-75.8178.3135.500110.7V274 K275 S280V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 2.78Å; K275-E278 PolarHBondContact O-N 2.93Å; E278-S280 PolarHBondContact O-N 3.09Å
279A53.7Low54.1Low88 Ų88120.2 Ų120.273%0.72764%0.643SS**THydrogen-bonded Turntrans-69.3-13.9176.200000114.1K275 L277K275-A279 VanDerWaalsContact O-CB 3.27Å; K275-A279 WeakPolarHBondContact O-CB 3.34Å; K275-A279 PolarHBondContact O-N 3.07Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.16Å
280S44Very low51.5Low94 Ų94123 Ų12366%0.65765%0.652SS**THydrogen-bonded Turntrans-103.56.1-177.9-170.10000113.9D276 L277 E278D276-S280 WeakPolarHBondContact O-CB 3.25Å; D276-S280 PolarHBondContact O-N 3.34Å; L277-S280 PolarHBondContact O-N 3.41Å; E278-S280 PolarHBondContact O-N 3.09Å
281H36.7Very low48.9Very low148 Ų148127.2 Ų127.269%0.68567%0.666SS**SBendtrans-137.4100.3178.3-144.364.2000115L277L277-H281 PolarHBondContact O-N 2.96Å
282Q35Very low46.9Very low165 Ų165129 Ų12977%0.77167%0.674SS**  trans81.7145.9162.7-58.6-72.321.600120
283H29.3Very low45Very low189 Ų189128.6 Ų128.688%0.87569%0.685SS**  trans-93.2128172.2-80.1-104.6000111.5
284S27.6Very low42.7Very low123 Ų123129.9 Ų129.986%0.8670%0.696SS**  trans-173.7171.313861.80000112.2
285S29.6Very low40.7Very low107 Ų107132.3 Ų132.375%0.74871%0.711SS**  trans-137.4179.9170.669.20000107.9
286P42.4Very low38.5Very low113 Ų113132.4 Ų132.473%0.73472%0.723SS**  cis-142173.52.643.8-26.4000117.5
287N25.1Very low36.8Very low150 Ų150133.3 Ų133.380%0.80274%0.736SS**  trans71.6164.9144.3-153.224.8000122.8
288E27.2Very low35.4Very low135 Ų135137.1 Ų137.163%0.63175%0.747SS**  trans87.8111.2162.1-65.4-102.988.800120.6
289Q28.7Very low34Very low143 Ų143133.5 Ų133.567%0.66875%0.748SS**  trans47151.8138.9-38.4-170.22900120.6
290L30.1Very low33Very low119 Ų119136.3 Ų136.362%0.62376%0.756SS**  cis-172.6149.334.9-172.349.4000113.3
291K29.7Very low32.4Very low183 Ų183136.1 Ų136.180%0.79676%0.76SS**  trans66.8129.9158.7-78.5160.2-164.5166.90122.1
292K40.3Very low32.2Very low185 Ų185135.8 Ų135.880%0.80477%0.769SS**  trans-89.8164.1154.5-57174-178.4176.70109.7
293P42.9Very low32.1Very low120 Ų120136.1 Ų136.178%0.77977%0.77SS**  -125.8162100.60.422.2000112.1
294V32Very low33.6Very low117 Ų117131.8 Ų131.871%0.70976%0.759SS**  cis79.5128.731.4178.10000112.8
295T34.5Very low33.7Very low130 Ų130133.2 Ų133.280%0.79876%0.756SS**  cis-112.1-126.92.6-290000112
296V31.8Very low34.4Very low133 Ų133136.3 Ų136.381%0.80676%0.761SS**  cis-151.5177.5-0.8830000111.7
297S32.4Very low34.4Very low104 Ų104137.7 Ų137.773%0.72776%0.761SS**  trans-66.8167.8178.1-133.30000114
298K31.5Very low34.8Very low194 Ų194138.1 Ų138.184%0.84376%0.76SS**  cis-156.5139.339.5-161172.3180-179.20108
299G29.8Very low35.3Very low64 Ų64137 Ų13766%0.6677%0.767SS**  83.5123.559.100000109.2
300T32.8Very low35.7Very low146 Ų146135.7 Ų135.790%0.89677%0.769SS**  cis-150.317119.839.60000112.9
301A30.9Very low35.7Very low90 Ų90136.6 Ų136.674%0.74477%0.768SS**  trans-74.8167.8172.900000113.5
302T32.9Very low36Very low142 Ų142133.9 Ų133.987%0.87177%0.771SS**  -168.3156.9119.4-66.80000108.4
303E33.1Very low35.9Very low172 Ų172132.1 Ų132.180%0.80477%0.766SS**  trans-87.4-148.4172.7-156.3-152.8-177.700111.1
304P59.9Low35.4Very low97 Ų97133.1 Ų133.163%0.6377%0.769SS**  trans-90.1164.4-138.440.3-28.4000113.2
305L29.1Very low35.3Very low154 Ų154136.7 Ų136.781%0.80678%0.778SS**  trans-155.9124.5155.2-114.6156.1000113.2L307L305-L307 HydrophobicContact CD2-CD1 4.16Å; L305-L307 HydrophobicContact CD2-CG 3.9Å
306M46.2Very low35.4Very low172 Ų172134.2 Ų134.285%0.84777%0.766SS**  trans-90.3114.1160.4173.3-144-59.500108.1
307L40.6Very low35.3Very low141 Ų141136.7 Ų136.774%0.73877%0.767SS**  trans-152.8121.1159.2-79.6-174.6000107.2L305L305-L307 HydrophobicContact CD2-CD1 4.16Å; L305-L307 HydrophobicContact CD2-CG 3.9Å
308M35.3Very low36.1Very low159 Ų159137.6 Ų137.678%0.78377%0.77SS**  69.3112.675.3-73.6-93.687.800114.3
309S37.8Very low36.1Very low111 Ų111132.9 Ų132.978%0.77677%0.767SS**  trans-14796.1142.2-161.60000107.4
310V36.6Very low36.2Very low116 Ų116136.6 Ų136.670%0.70377%0.767SS**  67.294.2108.1177.60000111.2
311F30.7Very low36.5Very low138 Ų138138.5 Ų138.561%0.60576%0.758SS**  cis67.1114.448-170.1-82.5000114.3Q313F311-Q313 HydrophobicContact CD2-CG 4.48Å; F311-Q313 HydrophobicContact CE1-CB 4.09Å; F311-Q313 HydrophobicContact CE1-CG 4.48Å; F311-Q313 HydrophobicContact CE2-CB 4.13Å; F311-Q313 HydrophobicContact CE2-CG 3.64Å; F311-Q313 HydrophobicContact CZ-CB 3.59Å; F311-Q313 HydrophobicContact CZ-CG 3.65Å
312C34.9Very low36.7Very low127 Ų127139 Ų13986%0.85875%0.752SS**  trans-149.587.7148.5-1040000109.1
313Q38.5Very low37Very low148 Ų148140.9 Ų140.969%0.69275%0.751SS**  trans-74.4149.8147.5-62.7172.3-19.100108F311F311-Q313 HydrophobicContact CD2-CG 4.48Å; F311-Q313 HydrophobicContact CE1-CB 4.09Å; F311-Q313 HydrophobicContact CE1-CG 4.48Å; F311-Q313 HydrophobicContact CE2-CB 4.13Å; F311-Q313 HydrophobicContact CE2-CG 3.64Å; F311-Q313 HydrophobicContact CZ-CB 3.59Å; F311-Q313 HydrophobicContact CZ-CG 3.65Å
314T31.9Very low37Very low140 Ų140135.6 Ų135.686%0.85974%0.743SS**  trans-157148.9149.7-72.20000108.1
315E29.7Very low36.1Very low192 Ų192135.5 Ų135.590%0.89774%0.744SS**  trans-86.6-161-174.4-57.5-174.6112.300113.4
316S36.3Very low36.5Very low78 Ų78134.9 Ų134.955%0.54574%0.742SS.*  trans-100.6-177.4-162.746.70000115.5
317F30Very low36.2Very low186 Ų186134.6 Ų134.682%0.81674%0.742SS**  trans86.2164.5164.3-46.6-58.3000116.9
318P49.7Very low35.9Very low122 Ų122131.8 Ų131.879%0.79274%0.739SS**  -140.2163.1-52.538.8-24.8000115.3
319A31.8Very low35.8Very low95 Ų95133.2 Ų133.279%0.78574%0.741SS**  trans-160.2126.2153.800000107
320E31.8Very low35.6Very low143 Ų143135 Ų13567%0.66874%0.739SS**  cis58.7134.339.2-75.4-146.1121.100114
321R39.8Very low35.3Very low186 Ų186136.2 Ų136.270%0.70275%0.746SS**  cis-156.7170.38.7-140-177.5-73.7119.23.8107.8
322T34.7Very low35.3Very low101 Ų101135.5 Ų135.562%0.6275%0.749SS**  cis-161.8142.620.6-39.80000112.2
323H39.7Very low35.2Very low180 Ų180136.5 Ų136.583%0.83375%0.751SS**  trans48.2149.8156.6-77.4-52.2000123.1
324G33.3Very low34.8Very low62 Ų62133 Ų13364%0.63976%0.755SS**  cis-161.4144.4-1.500000111.3
325S40.8Very low35.1Very low94 Ų94134.4 Ų134.466%0.65776%0.756SS**  75.8122.976.1-149.90000111.9
326N36.2Very low36.2Very low142 Ų142130.9 Ų130.976%0.75975%0.75SS**  cis-135.6-167.521.4-54.6-104.4000108.9
327I39.5Very low36.1Very low166 Ų166130.5 Ų130.585%0.85176%0.759SS**  cis-153.1-167.24.8-152.1161.7000110.7
328A35.1Very low37Very low82 Ų82128.3 Ų128.368%0.67876%0.763SS**  trans-87.2-179.5-177.100000113.8
329K34Very low36.1Very low189 Ų189126.3 Ų126.382%0.82276%0.757SS**  cis-165.2113.429.2-168.8171.1-179-178.80116.3
330M32.5Very low36.3Very low149 Ų149128.2 Ų128.273%0.73476%0.759SS**  trans43.1123.3131.4-173.9-176-178.100122.6
331T30Very low37.4Very low140 Ų140127.2 Ų127.286%0.85977%0.765SS**  trans-163.4176134.22.70000112.4
332N31Very low36.9Very low124 Ų124123.2 Ų123.266%0.66377%0.772SS**  trans-111.3173.7-153.9-67.9-19.1000116.9
333T33.1Very low36.9Very low148 Ų148129 Ų12991%0.90878%0.784SS**  trans96.8144.8150.772.80000120.5
334G29.7Very low36.6Very low74 Ų74125.9 Ų125.976%0.76378%0.782SS**  trans110.993.7144.600000119.6
335L37.4Very low36.6Very low169 Ų169132.4 Ų132.489%0.88579%0.789SS**  trans-103.2173150.5-118.273.5000108
336P54.7Low36.1Very low118 Ų118132.7 Ų132.777%0.76680%0.797SS**  cis-138.2179.6-15.139.7-22.3000115.5
337G34Very low36.2Very low71 Ų71134.1 Ų134.173%0.73280%0.796SS**  trans88174.6154.400000117.4
338P48.2Very low36Very low140 Ų140131.5 Ų131.591%0.90979%0.788SS**  cis-116.1-155.38.443.2-31.4000113.5
339A31.2Very low36.1Very low80 Ų80135.1 Ų135.166%0.66180%0.796SS**  trans-140.7154.1-171.200000114.8
340T36.6Very low36.2Very low135 Ų135129.5 Ų129.583%0.82879%0.791SS**  trans62.6-179.9157.363.60000117.6
341P54.8Low36Very low121 Ų121131.6 Ų131.679%0.78680%0.799SS**  -138.1168.7-83.642.5-25.9000116.3
342A28.1Very low36.1Very low103 Ų103129.6 Ų129.685%0.85179%0.79SS**  trans-160.7157.2153.300000112.1
343Y34.9Very low36.1Very low222 Ų222131.1 Ų131.187%0.87180%0.798SS**  trans-130.3144.9-174.5-124.4-99.7000110.6
344S33.6Very low36.6Very low115 Ų115129 Ų12980%0.80479%0.787SS**  trans-172.1111.5142.247.50000114.7
345Y33.1Very low36.3Very low199 Ų199133.4 Ų133.478%0.7879%0.788SS**  trans22.5131.3143.3-101.1-98.1000123
346A29.6Very low36.1Very low99 Ų99131.8 Ų131.882%0.81878%0.778SS**  trans-150.2148.4145.100000111.9
347K38.4Very low34.9Very low172 Ų172135 Ų13575%0.74878%0.783SS**  trans-160.4155.6178.2-95.9177.6175.3174.70107.2
348T36.8Very low34.6Very low111 Ų111137.9 Ų137.968%0.68179%0.786SS**  cis-148.8-171.57.9-6.80000109.8
349N37Very low33.5Very low159 Ų159137.5 Ų137.585%0.8578%0.782SS**  trans-6.6144.7152.5-47.5-0.7000117.8
350G34.8Very low33.5Very low70 Ų70145 Ų14572%0.72279%0.793SS**  cis155.3-1652.600000112.2
351H28Very low33.1Very low194 Ų194147.2 Ų147.290%0.89879%0.794SS**  trans83.3162.2176.3-153.340.1000117.3
352C32.3Very low31.7Very low98 Ų98149.2 Ų149.266%0.66280%0.797SS**  trans-147.3141.4-158.8-52.30000114.2
353D32.7Very low31.7Very low155 Ų155150.3 Ų150.383%0.82979%0.794SS**  trans56.8162.7152-83.4-58000121.1
354P42.7Very low31.3Very low105 Ų105145.3 Ų145.368%0.68279%0.786SS**  cis-125.2175.7-11.833-14.3000113.9
355E24.1Very low31Very low166 Ų166142.9 Ų142.978%0.77678%0.779SS**  165.1130.5118.4-87.1-160.6152.300115.2
356I32.4Very low30.7Very low134 Ų134140.5 Ų140.569%0.68778%0.78SS**  trans27.9108.7141.4-45.6176.4000118.5T358I356-T358 HydrophobicContact CG2-CG2 4.28Å
357Q29Very low30.5Very low187 Ų187142.9 Ų142.987%0.87478%0.779SS**  trans-126.8121.6146.7-76.6-164.70.200111.9
358T28.2Very low30.1Very low130 Ų130140.2 Ų140.280%0.79878%0.777SS**  trans-89.7101.1176.252.60000110.9I356I356-T358 HydrophobicContact CG2-CG2 4.28Å
359T26Very low29.7Very low132 Ų132142 Ų14281%0.8178%0.778SS**PPolyproline II helixtrans-80.8126.4168.8-61.50000110
360R31.5Very low29.1Very low239 Ų239139.9 Ų139.990%0.90277%0.766SS**PPolyproline II helixtrans-67.6128.2177.5-75.8173.6161.7144.6-7.5111.4
361E26.9Very low28.7Very low180 Ų180144.1 Ų144.184%0.84177%0.767SS**PPolyproline II helixtrans-77.3148.1154.3-68.3-166126.500110.6
362L26.5Very low29.1Very low163 Ų163140.5 Ų140.585%0.85376%0.759SS**  trans-106.488.5178.1-178.866.8000109.8T364L362-T364 PolarHBondContact O-N 2.9Å
363T28.2Very low29.3Very low127 Ų127141.5 Ų141.578%0.77976%0.764SS**  trans-81.398.4180-41.90000111.4G365T363-G365 PolarHBondContact O-N 3.05Å
364T26.2Very low29.8Very low117 Ų117140 Ų14072%0.71876%0.762SS**  trans-71.993.1172.6-56.60000110.9L362L362-T364 PolarHBondContact O-N 2.9Å
365G26.5Very low29.1Very low64 Ų64145.4 Ų145.466%0.6677%0.769SS**  trans-100.4123.1169.300000111.3T363T363-G365 PolarHBondContact O-N 3.05Å
366N26.3Very low29.4Very low149 Ų149144.2 Ų144.280%0.79776%0.764SS**  trans-140.3109.5178.6-101.7-25.9000112.1
367N26.3Very low29.2Very low148 Ų148144.9 Ų144.979%0.79176%0.761SS**  trans-153.4126.7153.6-127.7-118.3000109.8
368V30.4Very low29.1Very low116 Ų116141.2 Ų141.270%0.70376%0.757SS**  47.3131.4122.8174.40000117.5
369E27.9Very low29Very low150 Ų150141.2 Ų141.270%0.70176%0.756SS**  cis178.3151-5.5174.1177.1109.900106.5
370N24.4Very low29Very low113 Ų113139 Ų13960%0.60475%0.751SS**  166.7137.5129.4-97.7-90.1000116.3
371Q26.3Very low28.9Very low159 Ų159135.9 Ų135.974%0.74375%0.752SS**  trans66.6117.3140.4-77.1176.171.400124.2
372V36.1Very low29.1Very low119 Ų119130.6 Ų130.672%0.72174%0.739SS**  61.4123117.1176.30000119
373P36Very low29.3Very low119 Ų119131.3 Ų131.377%0.77374%0.738SS**  -139.9-158.3107.843.1-27.7000112.7
374P43Very low29.2Very low123 Ų123133.5 Ų133.580%0.79974%0.739SS**  -129.6-170.7-99.640.1-20.2000116
375R29.7Very low29.3Very low219 Ų219136.8 Ų136.883%0.82674%0.744SS**  trans-67.9159.6175.6-84.3-175.9158.9-152.2-2.8114.7
376E30Very low30.1Very low140 Ų140139.1 Ų139.165%0.65475%0.747SS**  -174168.3106.6-86.4-97.8100.100113.4
377K28.8Very low30.4Very low148 Ų148137.8 Ų137.864%0.64374%0.744SS**  trans-59.6157.7-167.2-46.5115.3178.7162.90115.2
378S26.3Very low30.7Very low111 Ų111138.2 Ų138.278%0.77674%0.741SS**  168.917373-99.90000111.3
379V25.5Very low30.8Very low129 Ų129139.3 Ų139.378%0.78274%0.743SS**  cis-170.4134.4-29.91320000111.3
380A26.9Very low30.9Very low86 Ų86135.8 Ų135.871%0.71175%0.747SS**  trans54.9154.6150.700000127.4
381L29.6Very low31Very low173 Ų173134.2 Ų134.291%0.90676%0.757SS**  trans74.8146.8162.7-97.669.1000119.6
382A31.2Very low31.3Very low70 Ų70132.7 Ų132.758%0.57976%0.763SS**  cis-158.3155.2-4.500000114
383Q29Very low32Very low177 Ų177132.8 Ų132.883%0.82777%0.766SS**  trans59.9158.2155.5-75.8168.2-105.200119.9
384E26.3Very low31.8Very low174 Ų174133.7 Ų133.781%0.81377%0.769SS**  cis-142.1-165.17.2-142-165.415500114.4
385K27.8Very low31.2Very low186 Ų186131.5 Ų131.581%0.80977%0.769SS**  trans-114.8-168.5-177.9-89.5-167.7176-1720110.8
386P43.8Very low31.5Very low113 Ų113128.1 Ų128.173%0.73477%0.766SS**  cis-117.1-176-18.521.53.5000112
387V32.6Very low31.4Very low120 Ų120129 Ų12973%0.72777%0.77SS**  -176.2146.876.2159.90000111.1
388E32.3Very low31.6Very low158 Ų158127.5 Ų127.574%0.73877%0.774SS**  trans-12.9162.5154-73.81718400121.4
389N32.6Very low32.5Very low138 Ų138128.1 Ų128.174%0.73878%0.775SS**  cis-137.6161.8-1.2-102.2-51.3000107.1
390G30.6Very low33Very low76 Ų76127.7 Ų127.778%0.78477%0.772SS**  cis9712347.400000109.8
391G26.1Very low34.2Very low80 Ų80129.7 Ų129.783%0.82578%0.778SS**  cis-171.3-172.7-1.300000112
392C33.3Very low34.6Very low128 Ų128128.3 Ų128.387%0.86577%0.77SS**  trans-98.5170.6174.7-56.40000111.8
393P51.2Low35.6Very low120 Ų120130.9 Ų130.978%0.77978%0.781SS**  -151.4150.795.138.2-20.6000118.1
394V32.1Very low35.7Very low138 Ų138127.6 Ų127.684%0.83678%0.777SS**  trans43.5131132-172.90000121.6
395G28.9Very low36.7Very low78 Ų78125.4 Ų125.480%0.80478%0.778SS**  trans-166.913315900000111.9
396I36.2Very low37Very low147 Ų147124.1 Ų124.175%0.75478%0.779SS**  trans-110.7155.6-170.4-43.6174.5000110.4
397E28.5Very low37.3Very low160 Ų160124 Ų12475%0.74878%0.779SS**  trans142156.5138.9-78.2-61.8112.100115.1
398T32.8Very low37.4Very low116 Ų116123.2 Ų123.271%0.71278%0.778SS**  trans-148.8136.9173.6-48.70000108.5
399P45.8Very low37.4Very low123 Ų123121.8 Ų121.880%0.79979%0.786SS**  -147.7172.4123.334-16.3000115.6
400V35Very low37.4Very low120 Ų120119 Ų11973%0.72779%0.79SS**  trans-119.9138178163.20000107.7
401P51.6Low37.6Very low129 Ų129121 Ų12184%0.83879%0.792SS**  -151.2165.8108.636.8-17000118.8
402I39.8Very low37.8Very low143 Ų143122.1 Ų122.173%0.73379%0.787SS**  trans-81147.1176.1-74.6162.4000109.4
403P50.7Low37.9Very low124 Ų124123.9 Ų123.981%0.80579%0.787SS**  -153.3169.776.640.4-18.3000120.8
404S31.3Very low37.1Very low108 Ų108123.3 Ų123.376%0.75579%0.786SS**  trans-69.6171.5172.2-25.30000113.3
405P48.2Very low38.1Very low128 Ų128123 Ų12383%0.83179%0.787SS**  -147.9173.86540.3-19.8000118.7
406L33.8Very low38.2Very low159 Ų159124.2 Ų124.283%0.83278%0.783SS**  trans-68.7168.4165.2-96167.7000111.7
407P49.6Very low38.2Very low112 Ų112122 Ų12273%0.72778%0.781SS**  -161.2177.956.946.3-24.3000122
408S35.4Very low38.3Very low102 Ų102121.1 Ų121.171%0.71379%0.786SS**  trans105.1134.7134.1-77.80000123.5
409S32.1Very low38.3Very low128 Ų128119.6 Ų119.690%0.89579%0.785SS**  trans83.1120.3149.7-600000120.5
410G32.8Very low37.7Very low81 Ų81118.9 Ų118.984%0.83578%0.783SS**  trans171.664.9176.400000116
411S34Very low37.7Very low118 Ų118118 Ų11883%0.82578%0.783SS**  trans-55.8161.3170.9-48.20000113.7
412S31.5Very low36.8Very low103 Ų103117 Ų11772%0.7278%0.779SS**  cis-177.7-171-14.4520000109.6
413L34.7Very low36.5Very low165 Ų165118.2 Ų118.286%0.86479%0.786SS**  trans84.2121165.4-55.4175.6000119.7
414S35.1Very low35.7Very low107 Ų107118.1 Ų118.175%0.74878%0.783SS**  trans-103.3167.8145.8-47.30000108.8
415P52.6Low35.8Very low133 Ų133118.3 Ų118.386%0.86478%0.784SS**  -139.6-164.2111.638.9-26.4000113.1
416S31.6Very low35.3Very low103 Ų103117.6 Ų117.672%0.7278%0.783SS**  trans-131.5162.5-151.5-42.20000115.9
417S34.3Very low36Very low101 Ų101115.9 Ų115.971%0.70678%0.781SS**  trans82.7152.7141.4-59.60000122.1
418T31.7Very low35.1Very low140 Ų140116.4 Ų116.486%0.85979%0.786SS**  trans75150.5167.8740000116.7
419A32.9Very low35Very low84 Ų84117.4 Ų117.469%0.69479%0.793SS**  cis-169.1-176.8-26.900000110.1
420S32.5Very low35.2Very low108 Ų108116.4 Ų116.476%0.75579%0.786SS**  trans77.797.1149.9-54.70000121.2
421S34.4Very low35.7Very low102 Ų102118.1 Ų118.171%0.71378%0.782SS**  54.5123.4123.1650000123.1
422S33.7Very low35.8Very low109 Ų109118.8 Ų118.876%0.76278%0.781SS**  trans60124.6130.1-53.20000121.2
423L34.1Very low36Very low167 Ų167121.3 Ų121.387%0.87479%0.786SS**  -172.9174.8102-98.5172.6000113
424T34.3Very low36Very low122 Ų122118.6 Ų118.675%0.74878%0.776SS**  trans-71.6150.2-16977.20000114.4
425S33.3Very low36.4Very low112 Ų112122.6 Ų122.678%0.78378%0.78SS**  176150.8115.142.90000112.6
426S36.8Very low35.5Very low114 Ų114127.1 Ų127.180%0.79778%0.78SS**  trans-97.4158.6157.9-54.40000108.9
427P47.6Very low35.7Very low123 Ų123129.2 Ų129.280%0.79978%0.782SS**  -139.7160.311138-28.2000114.3
428C32.5Very low36Very low123 Ų123132.5 Ų132.583%0.83179%0.791SS**  trans-75.5140.8166.5-59.50000110.6
429S33Very low36Very low123 Ų123129.5 Ų129.586%0.8679%0.788SS**  trans-160.2140.3153.3-85.40000111.1
430S36.2Very low36.4Very low106 Ų106131 Ų13174%0.74179%0.793SS**  trans-109.2136.3177.7-178.10000110.2
431P43.4Very low36.8Very low118 Ų118131.5 Ų131.577%0.76680%0.797SS**  trans-96.2106.5170.433.5-27.9000111.4
432V35.2Very low36.9Very low131 Ų131131.9 Ų131.979%0.79481%0.806SS**  trans-94.3105.1164.8175.10000109.2
433L35.9Very low37Very low157 Ų157132.3 Ų132.382%0.82281%0.809SS**  trans-152.8155.9169.2-70.7179.1000109.5
434T35.9Very low36.9Very low107 Ų107129.9 Ų129.966%0.65681%0.806SS**  cis-164.3137.4-36.8-101.20000105.9
435K41.5Very low37.5Very low191 Ų191130.5 Ų130.583%0.8381%0.812SS**  trans-77.6129.2-174.5-174.8-179.2-179.4-178.20111.6
436R35.1Very low37.7Very low228 Ų228128.4 Ų128.486%0.8681%0.808SS**  trans-147.2160.7164.2-152.5172.4-71.5-172.4-0.1111.5
437L36Very low38.2Very low147 Ų147134.6 Ų134.677%0.7782%0.816SS**  trans-96.9176-164-105.468.2000115
438L39.6Very low38.2Very low170 Ų170134.9 Ų134.989%0.8981%0.806SS**  trans-46.6150.9-178.4-75.956.5000116.3
439G32.9Very low38.9Very low77 Ų77132.5 Ų132.579%0.79479%0.791SS**  trans-163.6142.1160.100000109.1
440S41.5Very low40Very low115 Ų115131.6 Ų131.680%0.80479%0.785SS**  trans-106.3152.2-160.9-62.70000116.2
441S39.4Very low41.1Very low119 Ų119134.7 Ų134.783%0.83278%0.781SS**  trans58.1107.5143.758.20000121.2
442A36.2Very low41.9Very low110 Ų110134 Ų13491%0.90977%0.768SS**  trans-151.4157.8138.900000109.1
443S36.2Very low43.2Very low119 Ų119131.2 Ų131.283%0.83275%0.751SS**  trans-112.5130.6-164.455.90000115.4
444S32Very low44.9Very low115 Ų115124.6 Ų124.680%0.80472%0.721SS**  trans-163.5144.6148.1-1520000110.9G446S444-G446 PolarHBondContact O-N 3.24Å
445P47.2Very low46.7Very low135 Ų135122 Ų12288%0.87770%0.703SS**  trans-86.5101.3-170.332.6-33.7000113.4
446G37.2Very low48.3Very low68 Ų68116.9 Ų116.970%0.70168%0.684SS**  trans-120.2106.6173.700000113.1S444 Q448S444-G446 PolarHBondContact O-N 3.24Å; G446-Q448 PolarHBondContact O-N 2.92Å
447Y48.7Very low50.4Low244 Ų244112.8 Ų112.896%0.95768%0.675SS**  trans26.671.3162.1-116.9-90.8000116.9S449Y447-S449 PolarHBondContact O-N 3.2Å
448Q47Very low52.4Low129 Ų129113 Ų11360%0.60367%0.666SS**  trans-70.9116.1177.4-164.4172.124.900110.9G446 S450 V453G446-Q448 PolarHBondContact O-N 2.92Å; Q448-S450 PolarHBondContact O-N 3.05Å; Q448-V453 HydrophobicContact CG-CG2 4.46Å
449S46.1Very low54.2Low73 Ų73112 Ų11251%0.5165%0.654SS.*  trans-59130.1-178.21780000112.1Y447 Y451 Q452Y447-S449 PolarHBondContact O-N 3.2Å; S449-Y451 PolarHBondContact O-N 2.74Å; S449-Q452 PolarHBondContact O-N 3.44Å
450S56.5Low56.5Low104 Ų104114.8 Ų114.873%0.72765%0.646SS**Hα-helixtrans-54.5-28.8179.255.20000113.2Q448 Q452 V453 G454Q448-S450 PolarHBondContact O-N 3.05Å; S450-Q452 VanDerWaalsContact C-N 3.3Å; S450-Q452 PolarHBondContact O-N 3.26Å; S450-V453 PolarHBondContact O-N 3.12Å; S450-G454 PolarHBondContact O-N 2.75Å; S450-G454 VanDerWaalsContact O-N 3.07Å
451Y60.2Low58.2Low171 Ų171111.9 Ų111.967%0.67163%0.629SS**Hα-helixtrans-60-37.6175.2-161.9-104.3000112.7S449 I455S449-Y451 PolarHBondContact O-N 2.74Å; Y451-I455 HydrophobicContact CD1-CD1 3.75Å; Y451-I455 HydrophobicContact CE1-CD1 3.57Å; Y451-I455 WeakPolarHBondContact O-CG1 3.39Å; Y451-I455 PolarHBondContact O-N 3.27Å
452Q60.3Low60Low105 Ų105108.4 Ų108.449%0.49161%0.608SS.*Hα-helixtrans-77.1-37.9-179-157.8-175.253.300111.9S449 S450 I455 N456S449-Q452 PolarHBondContact O-N 3.44Å; S450-Q452 VanDerWaalsContact C-N 3.3Å; S450-Q452 PolarHBondContact O-N 3.26Å; Q452-I455 PolarHBondContact O-N 2.93Å; Q452-N456 PolarHBondContact O-N 3.23Å
453V61.6Low61.9Low72 Ų72112.8 Ų112.844%0.43660%0.601SS.*Hα-helixtrans-60.9-47.4174.5-179.30000110.5Q448 S450 I455 N456 Q457Q448-V453 HydrophobicContact CG-CG2 4.46Å; S450-V453 PolarHBondContact O-N 3.12Å; V453-I455 VanDerWaalsContact C-N 3.29Å; V453-I455 PolarHBondContact O-N 2.84Å; V453-N456 PolarHBondContact O-N 3.04Å; V453-Q457 WeakPolarHBondContact O-CB 3.35Å; V453-Q457 PolarHBondContact O-N 3.25Å
454G72.7Confident63.7Low18 Ų18114 Ų11419%0.18659%0.593CS.*Hα-helixtrans-64-29.5176.500000114S450 R458S450-G454 PolarHBondContact O-N 2.75Å; S450-G454 VanDerWaalsContact O-N 3.07Å; G454-R458 WeakPolarHBondContact O-CB 3.31Å; G454-R458 VanDerWaalsContact O-CG 3.32Å; G454-R458 WeakPolarHBondContact O-CG 3.48Å; G454-R458 VanDerWaalsContact O-CZ 3.3Å; G454-R458 PolarHBondContact O-N 3.1Å; G454-R458 PolarHBondContact O-NE 3.37Å
455I72.4Confident65.7Low53 Ų53115.8 Ų115.827%0.27259%0.586SS.*Hα-helixtrans-70.4-51.3173.3-76.6171.2000110.9Y451 Q452 V453 Q457 R458 F459Y451-I455 HydrophobicContact CD1-CD1 3.75Å; Y451-I455 HydrophobicContact CE1-CD1 3.57Å; Y451-I455 WeakPolarHBondContact O-CG1 3.39Å; Y451-I455 PolarHBondContact O-N 3.27Å; Q452-I455 PolarHBondContact O-N 2.93Å; V453-I455 VanDerWaalsContact C-N 3.29Å; V453-I455 PolarHBondContact O-N 2.84Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 3.05Å; I455-R458 PolarHBondContact O-N 2.89Å; I455-F459 HydrophobicContact CG2-CD2 3.84Å; I455-F459 HydrophobicContact CG2-CE2 3.98Å; I455-F459 WeakPolarHBondContact O-CD2 3.28Å; I455-F459 PolarHBondContact O-N 3.25Å
456N75.9Confident66.6Low83 Ų83116.8 Ų116.844%0.44458%0.577SS.*Hα-helixtrans-61.1-42.7179.2-79.1-1.7000111.6Q452 V453 R458 F459 H460Q452-N456 PolarHBondContact O-N 3.23Å; V453-N456 PolarHBondContact O-N 3.04Å; N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.26Å; N456-F459 PolarHBondContact O-N 3.06Å; N456-F459 VanDerWaalsContact O-N 3.15Å; N456-H460 PolarHBondContact O-CD2 3.38Å; N456-H460 PolarHBondContact O-N 3.04Å
457Q78.1Confident68.1Low142 Ų142118.6 Ų118.666%0.66457%0.567SS**Hα-helixtrans-61-39.8177.4-167.617772.200112.2V453 I455 A461V453-Q457 WeakPolarHBondContact O-CB 3.35Å; V453-Q457 PolarHBondContact O-N 3.25Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 3.05Å; Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 3.15Å
458R78.1Confident68.4Low152 Ų152109.8 Ų109.857%0.57454%0.541SS*.Hα-helixtrans-65.7-40.3172.7-75.9-173.9-64.3-100.34.9112.8G454 I455 N456 A461 A462G454-R458 WeakPolarHBondContact O-CB 3.31Å; G454-R458 VanDerWaalsContact O-CG 3.32Å; G454-R458 WeakPolarHBondContact O-CG 3.48Å; G454-R458 VanDerWaalsContact O-CZ 3.3Å; G454-R458 PolarHBondContact O-N 3.1Å; G454-R458 PolarHBondContact O-NE 3.37Å; I455-R458 PolarHBondContact O-N 2.89Å; N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.26Å; R458-A461 PolarHBondContact O-N 2.86Å; R458-A462 VanDerWaalsContact O-CB 3.32Å; R458-A462 WeakPolarHBondContact O-CB 3.41Å; R458-A462 PolarHBondContact O-N 3.01Å
459F78.1Confident68.8Low149 Ų149110 Ų11065%0.65454%0.543SS*.Hα-helixtrans-64.3-42.8175.4-92.6-76.4000112.5I455 N456 R463I455-F459 HydrophobicContact CG2-CD2 3.84Å; I455-F459 HydrophobicContact CG2-CE2 3.98Å; I455-F459 WeakPolarHBondContact O-CD2 3.28Å; I455-F459 PolarHBondContact O-N 3.25Å; N456-F459 PolarHBondContact O-N 3.06Å; N456-F459 VanDerWaalsContact O-N 3.15Å; F459-R463 WeakPolarHBondContact O-CB 3.41Å; F459-R463 PolarHBondContact O-N 3.35Å
460H80.9Confident69.1Low135 Ų135108.7 Ų108.763%0.62554%0.536SS*.Hα-helixtrans-65-44.5174.9-76.7-73.7000111.8N456 A462 R463 H464N456-H460 PolarHBondContact O-CD2 3.38Å; N456-H460 PolarHBondContact O-N 3.04Å; H460-A462 PolarHBondContact O-N 3.12Å; H460-R463 PolarHBondContact O-N 3.43Å; H460-H464 WeakPolarHBondContact O-CB 3.27Å; H460-H464 PolarHBondContact O-N 2.86Å
461A78.1Confident68.8Low53 Ų53108 Ų10844%0.43852%0.524SS..Hα-helixtrans-62.9-40.9177.200000112.9Q457 R458 H464 K465Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 3.15Å; R458-A461 PolarHBondContact O-N 2.86Å; A461-H464 PolarHBondContact O-N 3.36Å; A461-K465 PolarHBondContact O-N 3.35Å
462A77.6Confident68.3Low47 Ų47108 Ų10839%0.38853%0.53SS..Hα-helixtrans-62.7-47.7174.500000111.4R458 H460 H464 K465 F466R458-A462 VanDerWaalsContact O-CB 3.32Å; R458-A462 WeakPolarHBondContact O-CB 3.41Å; R458-A462 PolarHBondContact O-N 3.01Å; H460-A462 PolarHBondContact O-N 3.12Å; A462-H464 VanDerWaalsContact C-N 3.3Å; A462-H464 PolarHBondContact O-N 3.47Å; A462-K465 PolarHBondContact O-N 3.48Å; A462-F466 WeakPolarHBondContact O-CD2 3.36Å; A462-F466 PolarHBondContact O-N 3.23Å
463R75.6Confident67.8Low202 Ų202110.9 Ų110.976%0.76254%0.544SS*.Hα-helixtrans-60.4-39.6178.2-162.6172-168.8155.42.5111.9F459 H460 Q467F459-R463 WeakPolarHBondContact O-CB 3.41Å; F459-R463 PolarHBondContact O-N 3.35Å; H460-R463 PolarHBondContact O-N 3.43Å; R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 PolarHBondContact O-N 3.08Å
464H73.9Confident67Low143 Ų143115.2 Ų115.266%0.66256%0.559SS**Hα-helixtrans-69.4-34.5177.7-151.7-51.5000113H460 A461 A462 S468H460-H464 WeakPolarHBondContact O-CB 3.27Å; H460-H464 PolarHBondContact O-N 2.86Å; A461-H464 PolarHBondContact O-N 3.36Å; A462-H464 VanDerWaalsContact C-N 3.3Å; A462-H464 PolarHBondContact O-N 3.47Å; H464-S468 PolarHBondContact O-N 2.9Å; H464-S468 PolarHBondContact O-OG 2.84Å; H464-S468 VanDerWaalsContact O-OG 3.12Å
465K74.6Confident65.7Low154 Ų154123.4 Ų123.467%0.6759%0.592SS**Hα-helixtrans-69-44.1175-81.1-171.9171.4-660112.7A461 A462 S468 Q469A461-K465 PolarHBondContact O-N 3.35Å; A462-K465 PolarHBondContact O-N 3.48Å; K465-S468 WeakPolarHBondContact CA-OG 3.29Å; K465-S468 PolarHBondContact O-N 2.93Å; K465-S468 PolarHBondContact O-OG 3.37Å; K465-Q469 PolarHBondContact O-N 2.88Å
466F65.5Low64.1Low155 Ų155125 Ų12568%0.6861%0.614SS**Hα-helixtrans-65.5-37.3175.7-84.6-77.9000112.4A462 Q469 A470A462-F466 WeakPolarHBondContact O-CD2 3.36Å; A462-F466 PolarHBondContact O-N 3.23Å; F466-Q469 PolarHBondContact O-N 2.85Å; F466-A470 PolarHBondContact O-N 3.39Å
467Q69.1Low62.2Low106 Ų106127.2 Ų127.250%0.49564%0.636SS.*Hα-helixtrans-63-50.1173.9-169.66353.300111.6R463 Q469 A470 D471R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 PolarHBondContact O-N 3.08Å; Q467-Q469 PolarHBondContact O-N 3.1Å; Q467-A470 PolarHBondContact O-N 3.03Å; Q467-D471 PolarHBondContact NE2-OD1 2.84Å; Q467-D471 VanDerWaalsContact O-CG 3.27Å; Q467-D471 PolarHBondContact O-N 3.46Å
468S54.8Low60Low60 Ų60123.6 Ų123.642%0.4264%0.637SS.*Hα-helixtrans-61.8-19.8179.258.80000114.6H464 K465H464-S468 PolarHBondContact O-N 2.9Å; H464-S468 PolarHBondContact O-OG 2.84Å; H464-S468 VanDerWaalsContact O-OG 3.12Å; K465-S468 WeakPolarHBondContact CA-OG 3.29Å; K465-S468 PolarHBondContact O-N 2.93Å; K465-S468 PolarHBondContact O-OG 3.37Å
469Q54.2Low58.3Low134 Ų134124.6 Ų124.663%0.62665%0.653SS**Hα-helixtrans-84.7-34.3176.3-168.8167.3-6.300111.9K465 F466 Q467K465-Q469 PolarHBondContact O-N 2.88Å; F466-Q469 PolarHBondContact O-N 2.85Å; Q467-Q469 PolarHBondContact O-N 3.1Å
470A53.3Low56.2Low45 Ų45127.1 Ų127.137%0.37267%0.666SS.*Hα-helixtrans-68.8-45172.200000111.8F466 Q467 Q472 E473F466-A470 PolarHBondContact O-N 3.39Å; Q467-A470 PolarHBondContact O-N 3.03Å; A470-Q472 PolarHBondContact O-N 2.93Å; A470-E473 PolarHBondContact O-N 3.35Å; A470-E473 VanDerWaalsContact O-N 3.14Å
471D50.5Low54.1Low89 Ų89126 Ų12648%0.47667%0.673SS.*Hα-helixtrans-65.7-24.6-177.2-56.5-26.7000112.6Q467Q467-D471 PolarHBondContact NE2-OD1 2.84Å; Q467-D471 VanDerWaalsContact O-CG 3.27Å; Q467-D471 PolarHBondContact O-N 3.46Å
472Q50.2Low52.5Low170 Ų170129.3 Ų129.379%0.79469%0.691SS**Hα-helixtrans-80.9-22.9177.2-174.616297.600113.3A470 Q474A470-Q472 PolarHBondContact O-N 2.93Å; Q472-Q474 VanDerWaalsContact C-N 3.33Å
473E47.9Very low51.1Low167 Ų167133 Ų13378%0.7871%0.71SS**Hα-helixtrans-83.7-9.2179.9-162.6163.3-155.400112.7A470A470-E473 PolarHBondContact O-N 3.35Å; A470-E473 VanDerWaalsContact O-N 3.14Å
474Q46.3Very low49.2Very low163 Ų163129 Ų12976%0.76271%0.713SS**THydrogen-bonded Turntrans-103.311.5-177.2-64.2-169.2-63.700115.4Q472Q472-Q474 VanDerWaalsContact C-N 3.33Å
475Q43.9Very low47.7Very low189 Ų189133.2 Ų133.288%0.88372%0.724SS**SBendtrans-120.546.4170.5-67.5-157.21.400113.8
476A40.6Very low45.6Very low88 Ų88132.1 Ų132.173%0.72773%0.725SS**SBendtrans-132.1142.2159.800000110.2
477S35.8Very low44.2Very low128 Ų128131.5 Ų131.590%0.89573%0.728SS**  trans-50.1152-176.7-48.30000114.1
478G32.3Very low42.6Very low67 Ų67131.9 Ų131.969%0.69174%0.743SS**  cis123.611410.200000111.3
479L40.9Very low42.1Very low173 Ų173134.7 Ų134.791%0.90676%0.76SS**  trans59.294.3170.7-55.8177.9000118.7
480Q34.9Very low41.3Very low201 Ų201134.9 Ų134.994%0.93977%0.77SS**  -171.9157.2123.1-109.2179.3-11.100113.5
481S36.4Very low40.6Very low111 Ų111139.5 Ų139.578%0.77679%0.788SS**  trans-93.8150176.3-550000111.8
482P44.1Very low40.3Very low123 Ų123143 Ų14380%0.79980%0.804SS**  trans-88.5143.6-174.634.1-35.3000114.3
483P48Very low39.9Very low124 Ų124138.4 Ų138.481%0.80579%0.786SS**  trans-93.1-179.515736.3-31.5000112.5
484S36Very low40.2Very low118 Ų118138.1 Ų138.183%0.82579%0.79SS**  trans-83.9171-163.5-54.50000116.8
485R42.1Very low41.2Very low232 Ų232132.5 Ų132.588%0.87577%0.768SS**  trans-3.5143152.7-72179.3173.4146.8-4.1116.8
486D31.8Very low42.1Very low131 Ų131127.2 Ų127.270%0.70176%0.757SS**  -165.9170.354.4-133.6-20.9000116.9
487L36Very low43.2Very low143 Ų143126.4 Ų126.475%0.74975%0.75SS**  trans51.7115.8157.4-59.1-178.1000123.8
488S35.5Very low44.9Very low114 Ų114125.5 Ų125.580%0.79773%0.73SS**  trans81.9153.5135.5-64.80000121.4
489P44.2Very low46.8Very low119 Ų119129.3 Ų129.377%0.77373%0.73SS**  trans-121.5136.5-152.137.6-22.3000116.3
490T35.8Very low48.4Very low137 Ų137126.9 Ų126.984%0.8472%0.717SS**  trans-130.7102.1161.248.10000112I492T490-I492 PolarHBondContact O-N 3.2Å; T490-I492 VanDerWaalsContact O-N 3.09Å
491L40Very low50.3Low143 Ų143120 Ų12075%0.74970%0.695SS**  trans-20.193.1170.7-165.7126.9000116.6D493L491-D493 HydrophobicContact CD2-CB 3.51Å; L491-D493 HydrophobicContact CG-CB 4.03Å
492I44.4Very low52.2Low161 Ų161124.2 Ų124.283%0.82669%0.693SS**  trans-80.2115.5159.8-68174.6000107.6T490T490-I492 PolarHBondContact O-N 3.2Å; T490-I492 VanDerWaalsContact O-N 3.09Å
493D41.6Very low53.7Low75 Ų75122.5 Ų122.540%0.40168%0.678SS.*  trans-148.370.2-173.9-172.49.3000111.2L491 S495 K498L491-D493 HydrophobicContact CD2-CB 3.51Å; L491-D493 HydrophobicContact CG-CB 4.03Å; D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 PolarHBondContact O-N 3.09Å; D493-S495 VanDerWaalsContact O-N 3.15Å; D493-S495 PolarHBondContact OD1-OG 3.03Å; D493-K498 IonicContact OD2-NZ 2.68Å; D493-K498 PolarHBondContact OD2-NZ 2.92Å
494N53.5Low55.3Low161 Ų161120.2 Ų120.286%0.86166%0.662SS**  trans-8176.9172.9-90.2-53.1000110.4
495S68Low57.4Low44 Ų44118.8 Ų118.831%0.30865%0.648SS.*  trans-103.8125.9172.345.80000111.1D493 A497 K498D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 PolarHBondContact O-N 3.09Å; D493-S495 VanDerWaalsContact O-N 3.15Å; D493-S495 PolarHBondContact OD1-OG 3.03Å; S495-A497 PolarHBondContact O-N 3.16Å; S495-K498 WeakPolarHBondContact O-CB 3.37Å; S495-K498 PolarHBondContact O-N 2.85Å
496A62.3Low59.1Low78 Ų78112 Ų11265%0.64563%0.632SS**Hα-helixtrans-56-26.9-178.100000113.3K498 Q499 L500A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 3.41Å; A496-Q499 PolarHBondContact O-N 2.9Å; A496-L500 PolarHBondContact O-N 3.48Å
497A64.8Low61.1Low72 Ų72110.8 Ų110.860%0.59562%0.622SS**Hα-helixtrans-57-37.4172.700000113.5S495 L500 A501S495-A497 PolarHBondContact O-N 3.16Å; A497-L500 PolarHBondContact O-N 3.14Å; A497-A501 WeakPolarHBondContact O-CB 3.43Å; A497-A501 PolarHBondContact O-N 3.41Å
498K70Confident63Low109 Ų109107.5 Ų107.547%0.47461%0.608SS.*Hα-helixtrans-67.6-38175.8-82.3174.7167.51690112.1D493 S495 A496 R502D493-K498 IonicContact OD2-NZ 2.68Å; D493-K498 PolarHBondContact OD2-NZ 2.92Å; S495-K498 WeakPolarHBondContact O-CB 3.37Å; S495-K498 PolarHBondContact O-N 2.85Å; A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 3.41Å; K498-R502 VanDerWaalsContact O-CB 3.32Å; K498-R502 WeakPolarHBondContact O-CB 3.45Å; K498-R502 PolarHBondContact O-N 2.92Å
499Q73.5Confident64.8Low147 Ų147107 Ų10769%0.68760%0.596SS**Hα-helixtrans-69-40.8174.2-90.3175.6-31.600112A496 R502 N503A496-Q499 PolarHBondContact O-N 2.9Å; Q499-R502 PolarHBondContact O-N 2.89Å; Q499-N503 WeakPolarHBondContact O-CB 3.44Å; Q499-N503 PolarHBondContact O-N 3.29Å
500L74.6Confident66.1Low122 Ų122104.9 Ų104.964%0.63958%0.583SS**Hα-helixtrans-60.1-50.8174.7-170.370.3000111A496 A497 R502 N503 T504A496-L500 PolarHBondContact O-N 3.48Å; A497-L500 PolarHBondContact O-N 3.14Å; L500-R502 VanDerWaalsContact C-N 3.34Å; L500-R502 PolarHBondContact O-N 3.33Å; L500-N503 WeakPolarHBondContact O-CB 3.44Å; L500-N503 PolarHBondContact O-N 3.26Å; L500-N503 VanDerWaalsContact O-N 3.13Å; L500-T504 PolarHBondContact O-N 2.91Å; L500-T504 PolarHBondContact O-OG1 2.91Å; L500-T504 VanDerWaalsContact O-OG1 3.14Å
501A74.6Confident67.6Low56 Ų56107.8 Ų107.846%0.46358%0.579SS.*Hα-helixtrans-58.3-43.6177.300000112.4A497 N503 T504 V505A497-A501 WeakPolarHBondContact O-CB 3.43Å; A497-A501 PolarHBondContact O-N 3.41Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 2.92Å; A501-T504 PolarHBondContact O-N 3.22Å; A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.4Å
502R76.4Confident68.5Low199 Ų199109.3 Ų109.375%0.75158%0.58SS**Hα-helixtrans-66-34.1177.3-165170.1-175.1160.10.5112.2K498 Q499 L500 T506K498-R502 VanDerWaalsContact O-CB 3.32Å; K498-R502 WeakPolarHBondContact O-CB 3.45Å; K498-R502 PolarHBondContact O-N 2.92Å; Q499-R502 PolarHBondContact O-N 2.89Å; L500-R502 VanDerWaalsContact C-N 3.34Å; L500-R502 PolarHBondContact O-N 3.33Å; R502-T506 PolarHBondContact O-N 3.39Å; R502-T506 PolarHBondContact O-OG1 3.35Å
503N74.9Confident69.1Low88 Ų88106.9 Ų106.947%0.47157%0.573SS.*Hα-helixtrans-67.5-47173-165.6-66.8000111.3Q499 L500 A501 V505 T506 Q507Q499-N503 WeakPolarHBondContact O-CB 3.44Å; Q499-N503 PolarHBondContact O-N 3.29Å; L500-N503 WeakPolarHBondContact O-CB 3.44Å; L500-N503 PolarHBondContact O-N 3.26Å; L500-N503 VanDerWaalsContact O-N 3.13Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 2.92Å; N503-V505 PolarHBondContact O-N 3.22Å; N503-T506 WeakPolarHBondContact O-CB 3.31Å; N503-T506 PolarHBondContact O-N 2.92Å; N503-T506 VanDerWaalsContact O-N 3.14Å; N503-Q507 PolarHBondContact O-N 2.71Å; N503-Q507 PolarHBondContact OD1-NE2 2.73Å
504T80.6Confident69.4Low76 Ų76107.3 Ų107.347%0.46658%0.582SS.*Hα-helixtrans-57.6-46.1176.7-56.50000112.1L500 A501 T506 Q507 V508L500-T504 PolarHBondContact O-N 2.91Å; L500-T504 PolarHBondContact O-OG1 2.91Å; L500-T504 VanDerWaalsContact O-OG1 3.14Å; A501-T504 PolarHBondContact O-N 3.22Å; T504-T506 VanDerWaalsContact C-N 3.33Å; T504-T506 PolarHBondContact O-N 2.94Å; T504-Q507 PolarHBondContact O-N 3.21Å; T504-V508 WeakPolarHBondContact O-CG2 3.45Å; T504-V508 PolarHBondContact O-N 3.33Å
505V81.6Confident69.1Low88 Ų88108.5 Ų108.553%0.53358%0.582SS.*Hα-helixtrans-60.7-41.5176.2171.60000111.5A501 N503 V508 L509A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.4Å; N503-V505 PolarHBondContact O-N 3.22Å; V505-V508 PolarHBondContact O-N 3.4Å; V505-L509 HydrophobicContact CG1-CD1 4.26Å; V505-L509 PolarHBondContact O-N 3.34Å
506T76.6Confident68.1Low90 Ų90116 Ų11655%0.55261%0.612SS**Hα-helixtrans-64.4-40175.7-580000112.4R502 N503 T504 L509 S510R502-T506 PolarHBondContact O-N 3.39Å; R502-T506 PolarHBondContact O-OG1 3.35Å; N503-T506 WeakPolarHBondContact O-CB 3.31Å; N503-T506 PolarHBondContact O-N 2.92Å; N503-T506 VanDerWaalsContact O-N 3.14Å; T504-T506 VanDerWaalsContact C-N 3.33Å; T504-T506 PolarHBondContact O-N 2.94Å; T506-L509 PolarHBondContact O-N 3.49Å; T506-S510 WeakPolarHBondContact O-CB 3.35Å; T506-S510 PolarHBondContact O-N 2.95Å
507Q74.6Confident66.9Low105 Ų105115.3 Ų115.349%0.49161%0.613SS.*Hα-helixtrans-65.8-36.8175.1-70.5-169.640.800112.6N503 T504 R511N503-Q507 PolarHBondContact O-N 2.71Å; N503-Q507 PolarHBondContact OD1-NE2 2.73Å; T504-Q507 PolarHBondContact O-N 3.21Å; Q507-R511 WeakPolarHBondContact O-CG 3.37Å; Q507-R511 PolarHBondContact O-N 3.46Å
508V76.8Confident65.9Low73 Ų73118.5 Ų118.544%0.44263%0.628SS.*Hα-helixtrans-65.9-48.9174.8172.10000110.6T504 V505 S510 R511 F512T504-V508 WeakPolarHBondContact O-CG2 3.45Å; T504-V508 PolarHBondContact O-N 3.33Å; V505-V508 PolarHBondContact O-N 3.4Å; V508-S510 VanDerWaalsContact C-N 3.33Å; V508-S510 PolarHBondContact O-N 3.1Å; V508-R511 PolarHBondContact O-N 3.13Å; V508-R511 VanDerWaalsContact O-N 3.16Å; V508-F512 HydrophobicContact CG1-CD2 4.25Å; V508-F512 HydrophobicContact CG1-CE2 4.34Å; V508-F512 WeakPolarHBondContact O-CD2 3.25Å; V508-F512 PolarHBondContact O-N 3Å
509L72.6Confident64.6Low105 Ų105121 Ų12155%0.5565%0.645SS.*Hα-helixtrans-59-42.6177.1-99.365.2000112.3V505 T506 R511 F512 T513V505-L509 HydrophobicContact CG1-CD1 4.26Å; V505-L509 PolarHBondContact O-N 3.34Å; T506-L509 PolarHBondContact O-N 3.49Å; L509-R511 PolarHBondContact O-N 2.88Å; L509-F512 PolarHBondContact O-N 3.38Å; L509-T513 PolarHBondContact O-N 3.3Å; L509-T513 VanDerWaalsContact O-N 3.12Å; L509-T513 PolarHBondContact O-OG1 3.15Å
510S71.7Confident62.8Low73 Ų73123.4 Ų123.451%0.5165%0.653SS.*Hα-helixtrans-59.6-33.1177.9-173.30000113.2T506 V508 F512 S514T506-S510 WeakPolarHBondContact O-CB 3.35Å; T506-S510 PolarHBondContact O-N 2.95Å; V508-S510 VanDerWaalsContact C-N 3.33Å; V508-S510 PolarHBondContact O-N 3.1Å; S510-F512 VanDerWaalsContact C-N 3.32Å; S510-S514 PolarHBondContact O-OG 2.85Å
511R67.3Low61.5Low199 Ų199123.6 Ų123.675%0.75166%0.661SS**Hα-helixtrans-75.3-16.7174.3-70.7175.5-178.1-88.41.6113.9Q507 V508 L509Q507-R511 WeakPolarHBondContact O-CG 3.37Å; Q507-R511 PolarHBondContact O-N 3.46Å; V508-R511 PolarHBondContact O-N 3.13Å; V508-R511 VanDerWaalsContact O-N 3.16Å; L509-R511 PolarHBondContact O-N 2.88Å
512F59.3Low59.6Low175 Ų175127.2 Ų127.277%0.76868%0.677SS**Hα-helixtrans-95.8-23.2177.4-90.3-83000113.9V508 L509 S510V508-F512 HydrophobicContact CG1-CD2 4.25Å; V508-F512 HydrophobicContact CG1-CE2 4.34Å; V508-F512 WeakPolarHBondContact O-CD2 3.25Å; V508-F512 PolarHBondContact O-N 3Å; L509-F512 PolarHBondContact O-N 3.38Å; S510-F512 VanDerWaalsContact C-N 3.32Å
513T55.9Low57.5Low109 Ų109123.3 Ų123.367%0.66968%0.68SS**Hα-helixtrans-92.3-6.3-178.655.20000114.6L509 Q515L509-T513 PolarHBondContact O-N 3.3Å; L509-T513 VanDerWaalsContact O-N 3.12Å; L509-T513 PolarHBondContact O-OG1 3.15Å; T513-Q515 PolarHBondContact O-N 3.32Å
514S47.8Very low56Low84 Ų84124.8 Ų124.859%0.58770%0.695SS**  trans-95.629.9-167.941.10000115.6S510S510-S514 PolarHBondContact O-OG 2.85Å
515Q48.3Very low53.7Low186 Ų186128.6 Ų128.687%0.86971%0.713SS**  trans-137.6106.3163.8-74.1-163.998.700112.3T513T513-Q515 PolarHBondContact O-N 3.32Å
516Q45.8Very low51.5Low201 Ų201130.1 Ų130.194%0.93973%0.727SS**  trans-131.3111.5156.8-66.9-169.215.700108.2
517G38.1Very low50Low64 Ų64130.6 Ų130.666%0.6673%0.734SS**  trans-168.7152.7-175.600000109.6
518P43.4Very low48.5Very low140 Ų140131.3 Ų131.391%0.90975%0.748SS**  trans-75.5147.7-155.927.1-35.1000115.7
519I42.4Very low46.5Very low162 Ų162136.7 Ų136.783%0.83177%0.765SS**  trans-81.2138-172.3-60163.9000112.1
520K36.4Very low44.7Very low196 Ų196134.8 Ų134.885%0.85277%0.771SS**  trans-136.9154.5152.3-88.8-171.4177.6178.50110.2
521P46Very low43.1Very low127 Ų127137.7 Ų137.783%0.82579%0.786SS**  trans-81.7166.9-158.531.3-36.9000116.2
522V34.7Very low41.6Very low132 Ų132135.1 Ų135.180%0.879%0.787SS**  trans-80.1151-170.5170.80000113.7
523S33.3Very low40.4Very low116 Ų116137.6 Ų137.681%0.81179%0.793SS**  trans-117.5136.3152.2-67.80000109.5
524P43.8Very low39.7Very low120 Ų120142.8 Ų142.878%0.77980%0.8SS**  trans-87.8170.3-173.435.2-36.5000114.1
525N31.7Very low39Very low156 Ų156145.2 Ų145.283%0.83481%0.807SS**  trans89.790.8168.1-166.323.3000118.7
526S34.6Very low38.4Very low119 Ų119144 Ų14483%0.83281%0.805SS**  -161.8142.3119.643.80000110.2
527S45.1Very low37.8Very low101 Ų101138.9 Ų138.971%0.70680%0.798SS**  trans-114.4140.3-179.2-175.40000110F529S527-F529 PolarHBondContact O-N 3.49Å
528P43Very low37.4Very low119 Ų119142.7 Ų142.777%0.77380%0.803SS**SBendtrans-86.69.4-163.734.6-38.1000116.2
529F36.3Very low36.9Very low186 Ų186143 Ų14382%0.81680%0.802SS**  trans-11099.2179.4-73.9-82.8000111.2S527S527-F529 PolarHBondContact O-N 3.49Å
530G35Very low36.5Very low65 Ų65140.1 Ų140.167%0.6780%0.803SS**  trans-97.3131.6172.500000112.1
531T37.8Very low36.2Very low134 Ų134139 Ų13982%0.82281%0.806SS**  trans-152.881178.4510000109.8
532D35.7Very low35.8Very low146 Ų146137.8 Ų137.878%0.78181%0.807SS**  trans-113.198.4-164.7-67.146000110.7
533Y34.3Very low35.8Very low226 Ų226143.6 Ų143.689%0.88682%0.815SS**  trans-137.9122.4173.4-97.8-80.6000112.8
534R41.1Very low35.6Very low218 Ų218141.4 Ų141.482%0.82381%0.81SS**  trans63.9100.6163.1-81-171.8165.9-133.9-1.9120
535N32.8Very low35.1Very low136 Ų136143 Ų14373%0.72781%0.812SS**  68.4134.7105.9-77.33.9000123.2
536L35.9Very low35.3Very low159 Ų159141 Ų14183%0.83281%0.805SS**  trans78.3106.2148-66.3159.7000119.5
537A31.8Very low35.2Very low95 Ų95139.5 Ų139.579%0.78580%0.795SS**  -165.6134.3107.600000114.1
538N30.7Very low35Very low144 Ų144143.6 Ų143.677%0.7780%0.803SS**  trans8.8137.1154.7-56-1.8000122
539T31.7Very low34.6Very low146 Ų146143 Ų14390%0.89680%0.801SS**  -173.9123.610321.30000113.2
540A34.9Very low35.5Very low101 Ų101139 Ų13984%0.83579%0.794SS**  trans-173.9138.7152.200000109.6
541N30.9Very low35.6Very low173 Ų173142 Ų14293%0.92580%0.8SS**  trans-102.4144.3178.8-67.9-19.1000111.5
542A36.3Very low36.1Very low102 Ų102141.9 Ų141.984%0.84380%0.801SS**  trans-140145.2157.400000110.2
543R34.6Very low35.9Very low254 Ų254138.1 Ų138.196%0.95880%0.797SS**  trans-81.5148.3172.7-44173.9-163.5167.64.1107.7
544G30.6Very low36Very low69 Ų69137 Ų13771%0.71180%0.797SS**  cis124.41100.500000110.9
545D33.3Very low35.6Very low153 Ų153133.8 Ų133.882%0.81880%0.801SS**  trans-156.1127167.7-126.3-35.8000113.6
546T34.3Very low35.6Very low114 Ų114132.9 Ų132.970%0.69981%0.805SS**  trans39.7107.4134.2-53.20000121.7
547S34.4Very low35.5Very low89 Ų89130.6 Ų130.662%0.62280%0.802SS**  108.2146.6128.676.60000122.8
548H40.1Very low36.4Very low186 Ų186131.3 Ų131.386%0.86180%0.799SS**  trans76.3141.2163-57.8-62.2000121.6
549S33.5Very low36.5Very low107 Ų107132.2 Ų132.275%0.74880%0.803SS**  trans-173.9168-168.7178.30000105.9
550P56.4Low36.5Very low101 Ų101130.4 Ų130.466%0.65680%0.796SS**  cis-118.4-176.2-9.220.25.4000111.6
551T37.3Very low37.2Very low129 Ų129131 Ų13179%0.79179%0.792SS**  172166.586.9350000112.4
552P46.9Very low37.4Very low131 Ų131131 Ų13185%0.85179%0.791SS**  trans-125.9166.7-162.242.5-29.6000118
553G32.8Very low37.4Very low67 Ų67131.4 Ų131.469%0.69179%0.787SS**  trans-171.1121.8157.800000109.8
554K35.3Very low37.8Very low204 Ų204125.8 Ų125.889%0.88778%0.784SS**  57.510864.6-70-170.6176.5-178.50114
555V32.7Very low37.8Very low149 Ų149125.9 Ų125.990%0.90379%0.785SS**  -167.3174.2100.5-86.50000110.5
556S33.1Very low38.2Very low118 Ų118126.7 Ų126.783%0.82579%0.787SS**  trans-100.9169.2-170-52.80000114.5
557S33.8Very low38.4Very low110 Ų110131.1 Ų131.177%0.76980%0.797SS**  trans-53.6176.3159.1-29.20000113
558P51Low38.6Very low111 Ų111132.1 Ų132.172%0.72180%0.804SS**  cis-144.5-159.315.933-6.3000116
559L32.9Very low38.9Very low162 Ų162129.3 Ų129.385%0.84880%0.802SS**  trans103.2111.2156.7-60.7169.9000119.7
560S32.1Very low39.4Very low109 Ų109130.5 Ų130.576%0.76281%0.805SS**  trans-77.6173.4145.7-53.60000109.7
561P49.3Very low38.9Very low114 Ų114133 Ų13374%0.7481%0.812SS**  cis-136174.810.243.2-27.2000116
562L34.2Very low39.1Very low171 Ų171131.9 Ų131.990%0.89581%0.807SS**  trans178.3138.6130.2-97.6161.6000110.9
563S36.2Very low39.3Very low111 Ų111138.2 Ų138.278%0.77681%0.813SS**  trans-101.9150165.5-55.30000108.9
564P43.8Very low40.1Very low137 Ų137139.3 Ų139.389%0.8982%0.816SS**  -149167.295.438.5-22.9000114.6
565G30.7Very low40.6Very low71 Ų71137.9 Ų137.973%0.73281%0.812SS**  trans146.772.9162.300000118.5K567G565-K567 PolarHBondContact O-N 3Å
566I42.1Very low41.6Very low169 Ų169142.2 Ų142.287%0.86781%0.812SS**  trans-26.9122.9155.342.5145.9000117
567K38.5Very low42.1Very low207 Ų207139.3 Ų139.390%0.980%0.801SS**  trans-152.3131.7145.2-63.2-166.5-176.9178.50111G565G565-K567 PolarHBondContact O-N 3Å
568S37.6Very low42.8Very low110 Ų110141.5 Ų141.577%0.76980%0.804SS**  trans-91.7146.5170.2-56.40000110.7T570S568-T570 PolarHBondContact O-N 2.92Å
569P47Very low43.4Very low127 Ų127141.4 Ų141.483%0.82580%0.803SS**  trans-74.2109.3176.6-16.631.7000112.5
570T42.8Very low44.5Very low132 Ų132139.1 Ų139.181%0.8180%0.799SS**PPolyproline II helixtrans-87.4120.2165.8-58.50000109.2S568S568-T570 PolarHBondContact O-N 2.92Å
571I47.2Very low45.7Very low155 Ų155139.8 Ų139.880%0.79580%0.8SS**PPolyproline II helixtrans-80.6129.7178.6-59176000109.8
572P41.2Very low46.2Very low105 Ų105141.8 Ų141.868%0.68280%0.803SS**PPolyproline II helixtrans-66.7141.6-179.3-23.835.2000114.8A574P572-A574 PolarHBondContact O-N 3.42Å
573R51.2Low47.2Very low264 Ų264138.8 Ų138.8100%0.99679%0.794SS**THydrogen-bonded Turntrans-78.262.6178.1-172.5-170.8169.6101.5-6.5111.8
574A50.5Low48.1Very low89 Ų89139.2 Ų139.274%0.73679%0.794SS**THydrogen-bonded Turntrans-135-14-178.400000115P572 R576P572-A574 PolarHBondContact O-N 3.42Å; A574-R576 PolarHBondContact O-N 3.29Å
575E45.2Very low48Very low174 Ų174142.5 Ų142.581%0.81379%0.794SS**  trans-86.898.9174.1-103.5-66.1178.400110.9G577E575-G577 PolarHBondContact OE2-N 3Å
576R54.2Low48.9Very low240 Ų240148.5 Ų148.591%0.90680%0.8SS**  trans-121.451.3167.3-158.5-176.2-152.6-121.72.8110.1A574A574-R576 PolarHBondContact O-N 3.29Å
577G43.5Very low48.9Very low57 Ų57146.4 Ų146.459%0.58880%0.797SS**PPolyproline II helixtrans-49.8145.116900000112.6E575E575-G577 PolarHBondContact OE2-N 3Å
578N46.8Very low48.9Very low156 Ų156140.3 Ų140.383%0.83479%0.793SS**PPolyproline II helixtrans-65.8150.9-177.3-66.4-47.2000111.8
579P64.1Low48.9Very low109 Ų109142.6 Ų142.671%0.70880%0.796SS**PPolyproline II helixtrans-59.9150.2165.228.8-35000110.2
580P56Low48.4Very low115 Ų115142.4 Ų142.475%0.74779%0.793SS**PPolyproline II helixtrans-61.3144.5178.626.5-34.5000110.9I582P580-I582 PolarHBondContact O-N 2.84Å
581P56.8Low48.2Very low123 Ų123142.5 Ų142.580%0.79980%0.795SS**PPolyproline II helixtrans-65133.9-17726.5-34.2000111.3
582I60.4Low47.3Very low156 Ų156140.2 Ų140.280%0.879%0.793SS**PPolyproline II helixtrans-61.1133174.3-59.8171.5000108.6P580P580-I582 PolarHBondContact O-N 2.84Å
583P55Low47.1Very low107 Ų107141 Ų14170%0.69580%0.798SS**PPolyproline II helixtrans-56.3134177.6-26.234.9000111.8K585P583-K585 PolarHBondContact O-N 3.48Å
584P56.8Low46.1Very low121 Ų121134.2 Ų134.279%0.78679%0.792SS**PPolyproline II helixtrans-64.2129.6-178.825.4-33.5000110.8K586P584-K586 PolarHBondContact O-N 2.99Å
585K41.6Very low45.2Very low205 Ų205134.6 Ų134.689%0.89179%0.794SS**PPolyproline II helixtrans-57.8124.3172.9-67.8-173.9176.3-173.70109P583P583-K585 PolarHBondContact O-N 3.48Å
586K48.3Very low44.6Very low198 Ų198133 Ų13386%0.86180%0.797SS**PPolyproline II helixtrans-65.3132.3174.1-71.4-172.3176.6-176.70109.9P584P584-K586 PolarHBondContact O-N 2.99Å
587P42.3Very low43.8Very low124 Ų124127.6 Ų127.681%0.80579%0.791SS**PPolyproline II helixtrans-56.8144.9163.4-23.534.9000110.7
588G38.4Very low43.5Very low79 Ų79130.8 Ų130.881%0.81480%0.801SS**PPolyproline II helixtrans-71.6146.3-173.300000113.8
589L37.9Very low42.8Very low159 Ų159131.1 Ų131.183%0.83280%0.802SS**  trans-124.1113.3164.2-88.7168.5000109.1
590T37.2Very low41.3Very low123 Ų123132.5 Ų132.576%0.75581%0.809SS**  trans38.2131.9149.154.70000120.6
591P37.9Very low40Very low133 Ų133136.2 Ų136.286%0.86481%0.813SS**PPolyproline II helixtrans-69.9141.4178.631.2-35.8000113.1
592S27.8Very low38.7Very low107 Ų107137.4 Ų137.475%0.74882%0.818SS**PPolyproline II helixtrans-97.8140.7156.5-1800000108.3
593P36.8Very low37.2Very low121 Ų121138.4 Ų138.479%0.78682%0.819SS**PPolyproline II helixtrans-67.6145.6-174.326.6-35.1000113.3
594S30.7Very low36Very low123 Ų123139.2 Ų139.286%0.8683%0.827SS**PPolyproline II helixtrans-70.8160.3176.3-610000113
595A32Very low34.8Very low96 Ų96141.1 Ų141.179%0.79383%0.826SS**PPolyproline II helixtrans-67.7154.5-168.400000115.7
596T32.9Very low34.2Very low141 Ų141136.5 Ų136.587%0.86583%0.826SS**PPolyproline II helixtrans-56.9137.3162.841.20000112.2
597T37.1Very low33.5Very low127 Ų127131.5 Ų131.578%0.77982%0.821SS**PPolyproline II helixtrans-68.4151.8169.242.40000112.3
598P37.7Very low32.9Very low124 Ų124130.8 Ų130.881%0.80582%0.82SS**PPolyproline II helixtrans-76.1134.7174.130.9-33.8000111.6
599L32.3Very low32.6Very low162 Ų162133.8 Ų133.885%0.84882%0.816SS**  trans-86.8104.1174.5-92.8161.7000111.3
600T30.8Very low32.2Very low138 Ų138131.9 Ų131.985%0.84781%0.812SS**  trans-85.1121.2158.231.70000109.9
601K30Very low31.9Very low193 Ų193131.4 Ų131.484%0.83981%0.808SS**  trans-94126.2172.5-72.4-177.9177.9179.20110.8
602T29.3Very low31.6Very low149 Ų149130.4 Ų130.491%0.91480%0.8SS**  trans-138.2139.7149.111.20000108.2
603H29.3Very low31.8Very low176 Ų176133.8 Ų133.882%0.81580%0.804SS**  trans-126.1117.6-167.117692.2000109.5Q605H603-Q605 WeakPolarHBondContact NE2-CG 3.49Å; H603-Q605 PolarHBondContact NE2-NE2 2.91Å
604S30Very low31.6Very low124 Ų124135 Ų13587%0.86780%0.804SS**  trans-136135.2172-70.60000109
605Q31.1Very low31.7Very low161 Ų161137.9 Ų137.975%0.75281%0.809SS**  trans-97.7142.5-171.2-64.7168.5-18.700112H603H603-Q605 WeakPolarHBondContact NE2-CG 3.49Å; H603-Q605 PolarHBondContact NE2-NE2 2.91Å
606A29Very low31.8Very low109 Ų109137.8 Ų137.890%0.90181%0.808SS**  trans-148.8157.6152.700000107.8
607A32.1Very low31.6Very low92 Ų92136.3 Ų136.376%0.7680%0.803SS**  trans-126.5-179.7-160.400000114
608S31Very low31.5Very low110 Ų110135.2 Ų135.277%0.76980%0.801SS**  trans80.8145.6168.1-53.50000116.1
609L31.7Very low31.2Very low141 Ų141134.8 Ų134.874%0.73880%0.799SS**  cis-170165.2-18.5-117.7165.9000107.9
610T29.9Very low31.3Very low120 Ų120132.6 Ų132.674%0.73680%0.798SS**  trans63154.8166.560.90000117.8
611T31.1Very low31.3Very low112 Ų112132.1 Ų132.169%0.68780%0.8SS**  cis-161.8144.3-19.823.40000110.2
612T31.9Very low31.4Very low112 Ų112130.5 Ų130.569%0.68780%0.801SS**  trans48.3144.1143.859.20000124.6
613E32.3Very low31.7Very low178 Ų178129 Ų12983%0.83279%0.792SS**  trans92.7128139.9-83.2162.4-171.800122.3
614D30.5Very low31.7Very low148 Ų148126.9 Ų126.979%0.79179%0.791SS**  trans-64.3162.3-177.5-55.9-92.2000115.9
615L34.9Very low31.9Very low182 Ų182127.9 Ų127.995%0.95379%0.791SS**  -167.2159.2110.4-103.6161000112.5
616A32.5Very low32.1Very low95 Ų95124.2 Ų124.279%0.78579%0.789SS**  trans-122.5151-168.600000113.9
617S28.4Very low32.1Very low109 Ų109126.9 Ų126.976%0.76279%0.788SS**  trans-166135.2145.6-147.10000107.8
618S36.3Very low32.2Very low105 Ų105125.6 Ų125.673%0.73478%0.783SS**  64.2135.554.2-122.60000113.2
619C30Very low32.7Very low114 Ų114129.8 Ų129.877%0.7779%0.788SS**  cis-134.6165.511.3-62.50000112.8
620S34.8Very low32.8Very low116 Ų116130.8 Ų130.881%0.81179%0.794SS**  trans-73164.7160.8-44.30000112.4
621S32.1Very low33.3Very low129 Ų129130.9 Ų130.990%0.90279%0.794SS**  trans-155147.1153.8-80.30000110.1
622N31.5Very low33.4Very low158 Ų158134 Ų13485%0.84580%0.801SS**  trans-114175.7-165.3-129.1-7.3000113.2
623T35.8Very low34Very low118 Ų118135.9 Ų135.972%0.72481%0.806SS**  trans-42.7153.3174.641.60000117
624V30Very low34.2Very low131 Ų131134.9 Ų134.979%0.79481%0.805SS**  -179.7126.8116.8148.60000111.1
625V32.5Very low34.5Very low146 Ų146135.4 Ų135.489%0.88581%0.807SS**  trans-142.4132.2135.5-179.50000106
626A35.4Very low35.7Very low84 Ų84131.7 Ų131.769%0.69479%0.794SS**  trans-112.7146.9178.300000111
627N30.3Very low36.2Very low165 Ų165134.2 Ų134.288%0.88280%0.8SS**  trans-159129.8139.8-130.2-16.3000109.8
628G34.5Very low37.1Very low65 Ų65134.4 Ų134.467%0.6780%0.801SS**  trans-119.3153.3172.500000110.1
629K40.9Very low37.4Very low198 Ų198138.4 Ų138.486%0.86183%0.829SS**  trans-144.1161.4163.1-72.2-157.4174.1-168.30109.6
630D34.2Very low37.8Very low162 Ų162139.6 Ų139.687%0.86683%0.832SS**  trans-78.5170.4-146.3-66.3-93000118.3
631V40Very low37.9Very low122 Ų122140.8 Ų140.874%0.73983%0.833SS**  trans-74.4142.1173174.20000110.8L633V631-L633 HydrophobicContact CG1-CD1 3.79Å
632E32.9Very low38.3Very low178 Ų178141.5 Ų141.583%0.83283%0.829SS**  trans-143.3130145.5-160.8162.6-14600110.4
633L43.7Very low38.7Very low150 Ų150140.5 Ų140.579%0.78583%0.828SS**  trans-92.6131.4167.3-80.780.4000108V631V631-L633 HydrophobicContact CG1-CD1 3.79Å
634L36.6Very low38.9Very low158 Ų158141.9 Ų141.983%0.82784%0.835SS**  trans-159.3126.8151.9-113.3160.8000113.9
635L37.5Very low39.4Very low158 Ų158142.7 Ų142.783%0.82784%0.838SS**  trans-146.8158.4160.5-89.4175000105.9
636P60.9Low39.9Very low104 Ų104142.4 Ų142.468%0.67583%0.834SS**  cis-127.6175-13.740.2-27.2000112.4
637T42.1Very low40.3Very low148 Ų148146.9 Ų146.991%0.90885%0.845SS**  trans-161159.6136.6-1.30000112
638S47Very low41.1Very low113 Ų113145.4 Ų145.479%0.7984%0.842SS**  trans-88.8143.7-176.952.50000113.6
639S43.3Very low41.7Very low189 Ų189152.7 Ų152.7100%1.32286%0.858SS**  -154.80121.5-170.40000110.8

Retrieved 639 of 639 residues in 1886.7 ms (Link to these results)