A0A077Z4B9_TRITR Loading...

MYND finger family protein

AlphaFold DB , UniProt , Accession A0A077Z4B9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 482 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
1M29.3Very low61.7Low231 Ų23192.2 Ų92.2100%1.13850%0.495SS*.  0106.80-68.7173.6168.700107.4T3M1-T3 PolarHBondContact O-N 3.01Å
2K31.7Very low64.1Low182 Ų18284.8 Ų84.879%0.79146%0.456SS*.  trans-72.688.3169.4-73.2179.8-179.5175.10105.8N4K2-N4 PolarHBondContact O-N 3.24Å
3T33.3Very low66.2Low115 Ų11584 Ų8471%0.70645%0.448SS*.  trans-57.3108170.145.70000106.4M1 P5M1-T3 PolarHBondContact O-N 3.01Å; T3-P5 WeakPolarHBondContact O-CD 3.48Å; T3-P5 WeakPolarHBondContact O-CG 3.3Å; T3-P5 VanDerWaalsContact O-N 3.15Å
4N45.1Very low68.1Low74 Ų7479 Ų7940%0.39642%0.422SS..  trans-70.2103.2174.8-163.7-21.8000107K2 F6 W92K2-N4 PolarHBondContact O-N 3.24Å; N4-F6 PolarHBondContact O-N 3.42Å; N4-W92 WeakPolarHBondContact ND2-CH2 3.29Å
5P50.1Low69.7Low99 Ų9973.7 Ų73.764%0.64339%0.394SS*.  trans-83.31.7-167.91.417.3000113.1T3T3-P5 WeakPolarHBondContact O-CD 3.48Å; T3-P5 WeakPolarHBondContact O-CG 3.3Å; T3-P5 VanDerWaalsContact O-N 3.15Å
6F62Low70.9Confident92 Ų9272.2 Ų72.240%0.40438%0.381SS..  trans-104.8107.1-167.5-63.2-74.4000111.3N4 R8 D61N4-F6 PolarHBondContact O-N 3.42Å; F6-R8 PolarHBondContact O-N 3.21Å; F6-D61 HydrophobicContact CD1-CB 4.37Å; F6-D61 HydrophobicContact CE1-CB 4.11Å; F6-D61 HydrophobicContact CZ-CB 4.32Å
7V72.9Confident72.2Confident86 Ų8670.2 Ų70.252%0.52137%0.369SS..  trans-62.8112.1155.9177.90000106.2S9 G101V7-S9 PolarHBondContact O-N 2.84Å; V7-G101 WeakPolarHBondContact CG1-O 3.38Å
8R84.6Confident73.3Confident19 Ų1966.3 Ų66.37%0.07235%0.348CS..  trans-66.1116.7169.2-74-174.9178.7-174.4-1.3107.4F6 C62 W92 A100 G101 L157F6-R8 PolarHBondContact O-N 3.21Å; R8-C62 HydrophobicContact CG-CB 4.16Å; R8-C62 PolarHBondContact NH2-O 3.03Å; R8-W92 HydrophobicContact CG-CD2 4.35Å; R8-W92 HydrophobicContact CG-CE3 3.92Å; R8-W92 HydrophobicContact CG-CZ3 4.43Å; R8-W92 VanDerWaalsContact CZ-CD1 3.47Å; R8-A100 WeakPolarHBondContact O-CB 3.28Å; R8-G101 PolarHBondContact O-N 3.37Å; R8-L157 PolarHBondContact NH1-O 2.87Å; R8-L157 PolarHBondContact NH2-O 3.35Å
9S88Confident74.3Confident65 Ų6563.3 Ų63.346%0.45533%0.332SS..  trans-105.2-21176.583.90000112.2V7 P11 E58V7-S9 PolarHBondContact O-N 2.84Å; S9-P11 WeakPolarHBondContact O-CD 3.31Å; S9-E58 WeakPolarHBondContact CA-OE1 3.47Å; S9-E58 WeakPolarHBondContact CB-OE1 3.33Å; S9-E58 PolarHBondContact N-OE1 2.86Å; S9-E58 PolarHBondContact OG-OE1 3.4Å; S9-E58 PolarHBondContact OG-OE2 2.98Å
10I90Very high75.1Confident5 Ų562.9 Ų62.93%0.02634%0.338CS..SBendtrans-64125.5176.5-64.2152.1000111.9V14 V15 Y55 E58 C59 A100I10-V14 HydrophobicContact CG2-CB 3.66Å; I10-V14 HydrophobicContact CG2-CG1 3.66Å; I10-V15 HydrophobicContact CB-CG2 4.4Å; I10-V15 HydrophobicContact CG2-CG2 3.62Å; I10-Y55 HydrophobicContact CG1-CD1 4.46Å; I10-E58 HydrophobicContact CD1-CB 3.5Å; I10-E58 HydrophobicContact CD1-CG 3.52Å; I10-E58 HydrophobicContact CG1-CB 4.12Å; I10-E58 VanDerWaalsContact CG1-CD 3.4Å; I10-E58 HydrophobicContact CG1-CG 3.99Å; I10-E58 WeakPolarHBondContact CG1-OE1 3.48Å; I10-E58 PolarHBondContact N-OE1 3.38Å; I10-C59 HydrophobicContact CD1-CB 4.29Å; I10-C59 WeakPolarHBondContact CD1-SG 3.29Å; I10-A100 WeakPolarHBondContact O-CB 3.29Å
11P91.9Very high75.9Confident46 Ų4660.1 Ų60.130%0.29932%0.323SS..  trans-60.4143.9171.8-2333.7000112.5S9 E13 V14 V15S9-P11 WeakPolarHBondContact O-CD 3.31Å; P11-E13 PolarHBondContact O-N 3.15Å; P11-E13 VanDerWaalsContact O-N 3.1Å; P11-V14 HydrophobicContact CB-CG2 4.25Å; P11-V14 HydrophobicContact CG-CG2 4.21Å; P11-V14 WeakPolarHBondContact O-CB 3.41Å; P11-V14 PolarHBondContact O-N 2.91Å; P11-V15 PolarHBondContact O-N 3.21Å
12P90.6Very high78.8Confident3 Ų349.4 Ų49.42%0.01927%0.27CS..Hα-helixtrans-59.4-28.5179.923.6-32.6000113.2V15 R16 Y93 H98 V196P12-V15 PolarHBondContact O-N 2.85Å; P12-R16 WeakPolarHBondContact O-CG 3.39Å; P12-R16 PolarHBondContact O-N 3.45Å; P12-Y93 HydrophobicContact CB-CD1 4.42Å; P12-Y93 HydrophobicContact CB-CE1 3.87Å; P12-Y93 HydrophobicContact CG-CD1 4.19Å; P12-Y93 HydrophobicContact CG-CE1 4.05Å; P12-H98 WeakPolarHBondContact CG-O 3.43Å; P12-V196 HydrophobicContact CB-CG1 4.16Å
13E90.6Very high81.6Confident75 Ų7544.7 Ų44.735%0.3525%0.25SC..Hα-helixtrans-59.3-47.6172.2-179.961.8-137.700112.2P11 V15 R16 Q17P11-E13 PolarHBondContact O-N 3.15Å; P11-E13 VanDerWaalsContact O-N 3.1Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.48Å; E13-R16 VanDerWaalsContact CD-NH1 3.3Å; E13-R16 PolarHBondContact O-N 2.97Å; E13-R16 IonicContact OE1-NH1 3.62Å; E13-R16 PolarHBondContact OE1-NH1 3.21Å; E13-R16 IonicContact OE2-CZ 3.84Å; E13-R16 IonicContact OE2-NH1 2.92Å; E13-R16 PolarHBondContact OE2-NH1 3.43Å; E13-R16 IonicContact OE2-NH2 3.95Å; E13-R16 PolarHBondContact OE2-NH2 3.46Å; E13-Q17 HydrophobicContact CG-CG 4.43Å; E13-Q17 WeakPolarHBondContact O-CB 3.43Å; E13-Q17 VanDerWaalsContact O-CG 3.31Å; E13-Q17 WeakPolarHBondContact O-CG 3.38Å; E13-Q17 PolarHBondContact O-N 3.3Å; E13-Q17 WeakPolarHBondContact OE1-CG 3.29Å; E13-Q17 PolarHBondContact OE1-NE2 2.92Å
14V92.9Very high84.2Confident14 Ų1443.2 Ų43.29%0.08524%0.238CC..Hα-helixtrans-63-40.2179.9173.60000110.3I10 P11 R16 Q17 L18 W47 Y55I10-V14 HydrophobicContact CG2-CB 3.66Å; I10-V14 HydrophobicContact CG2-CG1 3.66Å; P11-V14 HydrophobicContact CB-CG2 4.25Å; P11-V14 HydrophobicContact CG-CG2 4.21Å; P11-V14 WeakPolarHBondContact O-CB 3.41Å; P11-V14 PolarHBondContact O-N 2.91Å; V14-R16 PolarHBondContact O-N 2.91Å; V14-Q17 PolarHBondContact O-N 3.16Å; V14-L18 VanDerWaalsContact O-CB 3.31Å; V14-L18 WeakPolarHBondContact O-CB 3.28Å; V14-L18 PolarHBondContact O-N 3.32Å; V14-W47 HydrophobicContact CB-CH2 4.5Å; V14-W47 HydrophobicContact CB-CZ2 4.48Å; V14-W47 HydrophobicContact CG1-CH2 3.72Å; V14-W47 HydrophobicContact CG1-CZ2 4.02Å; V14-W47 HydrophobicContact CG2-CZ2 4.32Å; V14-Y55 HydrophobicContact CG1-CD1 3.94Å; V14-Y55 HydrophobicContact CG1-CD2 3.65Å; V14-Y55 HydrophobicContact CG1-CE1 4.28Å; V14-Y55 HydrophobicContact CG1-CE2 4Å; V14-Y55 HydrophobicContact CG1-CG 3.62Å
15V92.4Very high86.2Confident0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-59.3-46.8174.9-174.50000111I10 P11 P12 E13 L18 W19 L64 L158I10-V15 HydrophobicContact CB-CG2 4.4Å; I10-V15 HydrophobicContact CG2-CG2 3.62Å; P11-V15 PolarHBondContact O-N 3.21Å; P12-V15 PolarHBondContact O-N 2.85Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-W19 HydrophobicContact CG1-CD2 4.14Å; V15-W19 HydrophobicContact CG1-CH2 4.3Å; V15-W19 HydrophobicContact CG1-CZ2 3.87Å; V15-W19 PolarHBondContact O-N 2.89Å; V15-L64 HydrophobicContact CG1-CB 4.34Å; V15-L64 HydrophobicContact CG1-CD1 4Å; V15-L64 HydrophobicContact CG1-CD2 4.33Å; V15-L64 HydrophobicContact CG1-CG 4.47Å; V15-L64 HydrophobicContact CG2-CD1 3.73Å; V15-L158 HydrophobicContact CB-CD2 4.27Å; V15-L158 HydrophobicContact CG1-CD2 3.94Å
16R89.2Confident88Confident49 Ų4940.2 Ų40.219%0.18521%0.213CC..Hα-helixtrans-64.4-42.7178.9-72.4-172.6-76.894.2-4.8112.4P12 E13 V14 L18 W19 A20 L158 V196 V197P12-R16 WeakPolarHBondContact O-CG 3.39Å; P12-R16 PolarHBondContact O-N 3.45Å; E13-R16 VanDerWaalsContact CD-NH1 3.3Å; E13-R16 PolarHBondContact O-N 2.97Å; E13-R16 IonicContact OE1-NH1 3.62Å; E13-R16 PolarHBondContact OE1-NH1 3.21Å; E13-R16 IonicContact OE2-CZ 3.84Å; E13-R16 IonicContact OE2-NH1 2.92Å; E13-R16 PolarHBondContact OE2-NH1 3.43Å; E13-R16 IonicContact OE2-NH2 3.95Å; E13-R16 PolarHBondContact OE2-NH2 3.46Å; V14-R16 PolarHBondContact O-N 2.91Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-W19 PolarHBondContact O-N 2.86Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.36Å; R16-L158 HydrophobicContact CG-CD1 4.36Å; R16-V196 PolarHBondContact NE-O 2.84Å; R16-V197 WeakPolarHBondContact CD-O 3.47Å; R16-V197 PolarHBondContact NE-O 2.87Å
17Q92Very high89Confident39 Ų3942.3 Ų42.318%0.18223%0.228CC..Hα-helixtrans-61.4-44.1175.8-73.8176.2-5.900111E13 V14 A20 L21 F45 W47E13-Q17 HydrophobicContact CG-CG 4.43Å; E13-Q17 WeakPolarHBondContact O-CB 3.43Å; E13-Q17 VanDerWaalsContact O-CG 3.31Å; E13-Q17 WeakPolarHBondContact O-CG 3.38Å; E13-Q17 PolarHBondContact O-N 3.3Å; E13-Q17 WeakPolarHBondContact OE1-CG 3.29Å; E13-Q17 PolarHBondContact OE1-NE2 2.92Å; V14-Q17 PolarHBondContact O-N 3.16Å; Q17-A20 WeakPolarHBondContact O-CB 3.47Å; Q17-A20 PolarHBondContact O-N 3.12Å; Q17-L21 WeakPolarHBondContact O-CG 3.02Å; Q17-L21 PolarHBondContact O-N 2.85Å; Q17-F45 HydrophobicContact CB-CD2 4.43Å; Q17-F45 HydrophobicContact CB-CE1 4.29Å; Q17-F45 HydrophobicContact CB-CE2 3.76Å; Q17-F45 HydrophobicContact CB-CZ 3.69Å; Q17-F45 HydrophobicContact CG-CE1 3.91Å; Q17-F45 HydrophobicContact CG-CE2 4.29Å; Q17-F45 HydrophobicContact CG-CZ 3.78Å; Q17-W47 HydrophobicContact CB-CH2 4.06Å; Q17-W47 HydrophobicContact CB-CZ2 4.2Å
18L93.1Very high89.4Confident0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-65-43.6177.7-16863.5000112V14 V15 R16 A20 L21 V22 I37 W47 V56 C59 L65V14-L18 VanDerWaalsContact O-CB 3.31Å; V14-L18 WeakPolarHBondContact O-CB 3.28Å; V14-L18 PolarHBondContact O-N 3.32Å; V15-L18 PolarHBondContact O-N 3.18Å; R16-L18 VanDerWaalsContact C-N 3.34Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.45Å; L18-L21 WeakPolarHBondContact O-CB 3.24Å; L18-L21 PolarHBondContact O-N 3.47Å; L18-V22 VanDerWaalsContact O-CG2 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.64Å; L18-I37 HydrophobicContact CD1-CG2 3.68Å; L18-W47 HydrophobicContact CD1-CZ3 4.43Å; L18-V56 HydrophobicContact CD1-CG2 3.87Å; L18-V56 HydrophobicContact CD2-CG2 4.2Å; L18-C59 HydrophobicContact CD2-CB 3.94Å; L18-C59 VanDerWaalsContact CD2-SG 3.51Å; L18-L65 HydrophobicContact CD2-CD1 3.46Å; L18-L65 VanDerWaalsContact CD2-CD1 3.46Å; L18-L65 HydrophobicContact CD2-CG 4.34Å; L18-L65 HydrophobicContact CG-CD1 4.06Å
19W92.7Very high89Confident9 Ų944.9 Ų44.93%0.03425%0.252CS..Hα-helixtrans-60.8-38.4173.2-75.3-6.6000112.8V15 R16 V22 K23 L64 I80 Q154 L157 L158V15-W19 HydrophobicContact CG1-CD2 4.14Å; V15-W19 HydrophobicContact CG1-CH2 4.3Å; V15-W19 HydrophobicContact CG1-CZ2 3.87Å; V15-W19 PolarHBondContact O-N 2.89Å; R16-W19 PolarHBondContact O-N 2.86Å; W19-V22 PolarHBondContact O-N 3.47Å; W19-K23 WeakPolarHBondContact O-CB 3.16Å; W19-K23 VanDerWaalsContact O-CG 3.3Å; W19-K23 WeakPolarHBondContact O-CG 3.34Å; W19-K23 PolarHBondContact O-N 2.83Å; W19-L64 HydrophobicContact CZ2-CD2 4.25Å; W19-L64 PolarHBondContact NE1-O 3.48Å; W19-I80 HydrophobicContact CB-CD1 3.74Å; W19-I80 HydrophobicContact CD2-CD1 4.43Å; W19-I80 HydrophobicContact CG-CD1 3.75Å; W19-I80 HydrophobicContact CG-CG1 4.13Å; W19-Q154 HydrophobicContact CE3-CB 4.13Å; W19-Q154 HydrophobicContact CE3-CG 3.97Å; W19-Q154 HydrophobicContact CH2-CB 3.92Å; W19-Q154 HydrophobicContact CH2-CG 4.09Å; W19-Q154 WeakPolarHBondContact CH2-O 3.48Å; W19-Q154 HydrophobicContact CZ3-CB 3.49Å; W19-Q154 VanDerWaalsContact CZ3-CB 3.49Å; W19-Q154 HydrophobicContact CZ3-CG 3.75Å; W19-L157 HydrophobicContact CH2-CB 3.81Å; W19-L157 HydrophobicContact CH2-CD1 4.06Å; W19-L157 HydrophobicContact CZ2-CB 4.01Å; W19-L157 HydrophobicContact CZ2-CD1 3.7Å; W19-L158 HydrophobicContact CH2-CD1 4.21Å; W19-L158 HydrophobicContact CH2-CD2 4.19Å; W19-L158 HydrophobicContact CH2-CG 3.84Å; W19-L158 HydrophobicContact CZ3-CD1 3.88Å; W19-L158 HydrophobicContact CZ3-CG 4.04Å
20A89.5Confident88.6Confident55 Ų5543.8 Ų43.846%0.45525%0.251SS..Hα-helixtrans-64-41.2175.200000111.8R16 Q17 L18 N24R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.36Å; Q17-A20 WeakPolarHBondContact O-CB 3.47Å; Q17-A20 PolarHBondContact O-N 3.12Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.45Å; A20-N24 WeakPolarHBondContact O-CB 3.26Å; A20-N24 PolarHBondContact O-N 3.37Å
21L91.5Very high88.4Confident5 Ų545.8 Ų45.83%0.02626%0.263CS..Hα-helixtrans-62-51173.7-68.1174.2000111.5Q17 L18 K23 N24 I25 I37 K40 A41 F45Q17-L21 WeakPolarHBondContact O-CG 3.02Å; Q17-L21 PolarHBondContact O-N 2.85Å; L18-L21 WeakPolarHBondContact O-CB 3.24Å; L18-L21 PolarHBondContact O-N 3.47Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 3.32Å; L21-N24 PolarHBondContact O-N 2.57Å; L21-N24 VanDerWaalsContact O-N 3.13Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 2.97Å; L21-I37 HydrophobicContact CD1-CG2 4.44Å; L21-K40 HydrophobicContact CD2-CB 4.04Å; L21-K40 HydrophobicContact CD2-CG 3.51Å; L21-A41 HydrophobicContact CD1-CB 3.74Å; L21-F45 HydrophobicContact CD1-CD2 4.03Å; L21-F45 HydrophobicContact CD1-CE2 3.66Å; L21-F45 HydrophobicContact CD2-CE2 3.85Å; L21-F45 HydrophobicContact CG-CD2 4.47Å; L21-F45 HydrophobicContact CG-CE2 3.68Å
22V91.6Very high88.3Confident5 Ų543.7 Ų43.73%0.0325%0.25CC..Hα-helixtrans-58.6-45.9-179.3172.10000110.7L18 W19 N24 I25 H26 V32 I37 L65 I80L18-V22 VanDerWaalsContact O-CG2 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.64Å; W19-V22 PolarHBondContact O-N 3.47Å; V22-N24 PolarHBondContact O-N 3.46Å; V22-I25 PolarHBondContact O-N 2.87Å; V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 2.99Å; V22-V32 HydrophobicContact CG1-CG1 4.47Å; V22-V32 HydrophobicContact CG1-CG2 4.22Å; V22-V32 HydrophobicContact CG2-CG1 4.29Å; V22-I37 HydrophobicContact CG2-CD1 4.19Å; V22-L65 HydrophobicContact CG2-CD2 4.15Å; V22-I80 HydrophobicContact CG1-CG1 4.12Å
23K89Confident88.4Confident83 Ų8344.3 Ų44.336%0.36125%0.253SS..Hα-helixtrans-59.9-44.2175.5-74.4176.5-174.2-179.80112.2W19 L21 N27 I80 Q154W19-K23 WeakPolarHBondContact O-CB 3.16Å; W19-K23 VanDerWaalsContact O-CG 3.3Å; W19-K23 WeakPolarHBondContact O-CG 3.34Å; W19-K23 PolarHBondContact O-N 2.83Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 3.32Å; K23-N27 WeakPolarHBondContact O-CB 3.31Å; K23-N27 PolarHBondContact O-N 3.03Å; K23-N27 PolarHBondContact O-ND2 3Å; K23-N27 PolarHBondContact O-OD1 3.29Å; K23-I80 HydrophobicContact CD-CD1 4.21Å; K23-I80 HydrophobicContact CG-CD1 3.75Å; K23-Q154 VanDerWaalsContact NZ-NE2 3.14Å
24N87.6Confident88.5Confident84 Ų8442.6 Ų42.645%0.44925%0.246SC..Hα-helixtrans-65.3-47.6-178.5-167.1-19.3000111.4A20 L21 V22 N27 S28A20-N24 WeakPolarHBondContact O-CB 3.26Å; A20-N24 PolarHBondContact O-N 3.37Å; L21-N24 PolarHBondContact O-N 2.57Å; L21-N24 VanDerWaalsContact O-N 3.13Å; V22-N24 PolarHBondContact O-N 3.46Å; N24-N27 PolarHBondContact O-N 3.2Å; N24-S28 PolarHBondContact O-N 2.75Å; N24-S28 VanDerWaalsContact O-N 3.15Å; N24-S28 PolarHBondContact O-OG 3.25Å
25I88.6Confident88.4Confident8 Ų846.9 Ų46.94%0.04127%0.265CS..Hα-helixtrans-65.5-40.6178.5-61.2162.3000110.8L21 V22 N27 S28 C29 V32 D36 I37 K40L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 2.97Å; V22-I25 PolarHBondContact O-N 2.87Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 3.42Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-S28 PolarHBondContact O-OG 3.01Å; I25-S28 VanDerWaalsContact O-OG 3.05Å; I25-C29 HydrophobicContact CG2-CB 4.49Å; I25-C29 WeakPolarHBondContact O-CB 3.48Å; I25-C29 PolarHBondContact O-N 3.19Å; I25-V32 HydrophobicContact CB-CG1 4.13Å; I25-V32 HydrophobicContact CB-CG2 4Å; I25-V32 HydrophobicContact CD1-CG1 4.12Å; I25-V32 HydrophobicContact CG2-CB 4.19Å; I25-V32 HydrophobicContact CG2-CG1 3.98Å; I25-V32 HydrophobicContact CG2-CG2 3.89Å; I25-D36 HydrophobicContact CD1-CB 4.1Å; I25-D36 WeakPolarHBondContact CD1-O 3.45Å; I25-D36 HydrophobicContact CG2-CB 3.73Å; I25-I37 HydrophobicContact CD1-CG1 4.09Å; I25-K40 HydrophobicContact CD1-CB 4.08Å; I25-K40 HydrophobicContact CG1-CB 4.45Å; I25-K40 HydrophobicContact CG1-CG 4.49Å
26H86.8Confident88.4Confident102 Ų10249.4 Ų49.447%0.47228%0.279SS..Hα-helixtrans-61.2-42.2177.1-173.871.1000111.3V22 S28 G30 V32V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 2.99Å; H26-S28 VanDerWaalsContact C-N 3.3Å; H26-S28 PolarHBondContact O-N 3.29Å; H26-G30 PolarHBondContact CE1-O 3.09Å; H26-G30 PolarHBondContact ND1-O 3.02Å; H26-G30 VanDerWaalsContact O-CA 3.25Å; H26-G30 WeakPolarHBondContact O-CA 3.36Å; H26-G30 PolarHBondContact O-N 2.94Å; H26-V32 HydrophobicContact CB-CG2 3.75Å
27N82.6Confident88.6Confident136 Ų13647 Ų4773%0.72727%0.27SS*.Hα-helixtrans-66.3-29.6177.2-70.2-11.9000113.3K23 N24 I25K23-N27 WeakPolarHBondContact O-CB 3.31Å; K23-N27 PolarHBondContact O-N 3.03Å; K23-N27 PolarHBondContact O-ND2 3Å; K23-N27 PolarHBondContact O-OD1 3.29Å; N24-N27 PolarHBondContact O-N 3.2Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 3.42Å
28S82.1Confident88.8Confident83 Ų8345.5 Ų45.558%0.5826%0.263SS*.Hα-helixtrans-88.7-37.1179.762.10000113.9N24 I25 H26N24-S28 PolarHBondContact O-N 2.75Å; N24-S28 VanDerWaalsContact O-N 3.15Å; N24-S28 PolarHBondContact O-OG 3.25Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-S28 PolarHBondContact O-OG 3.01Å; I25-S28 VanDerWaalsContact O-OG 3.05Å; H26-S28 VanDerWaalsContact C-N 3.3Å; H26-S28 PolarHBondContact O-N 3.29Å
29C76.5Confident88.8Confident77 Ų7747 Ų4752%0.5228%0.278SS..Hα-helixtrans-124.6-7.2-166.4-60.60000114.2I25 V31I25-C29 HydrophobicContact CG2-CB 4.49Å; I25-C29 WeakPolarHBondContact O-CB 3.48Å; I25-C29 PolarHBondContact O-N 3.19Å; C29-V31 PolarHBondContact O-N 2.91Å
30G79.3Confident88.7Confident41 Ų4150.4 Ų50.442%0.42329%0.293SS..SBendtrans72.4-39.8-178.300000115.2H26H26-G30 PolarHBondContact CE1-O 3.09Å; H26-G30 PolarHBondContact ND1-O 3.02Å; H26-G30 VanDerWaalsContact O-CA 3.25Å; H26-G30 WeakPolarHBondContact O-CA 3.36Å; H26-G30 PolarHBondContact O-N 2.94Å
31V85.5Confident89Confident47 Ų4747.8 Ų47.829%0.28527%0.272SS..SBendtrans-117.4130.3177.6-176.70000109.5C29 T33 C77C29-V31 PolarHBondContact O-N 2.91Å; V31-T33 HydrophobicContact CG1-CG2 4.41Å; V31-C77 HydrophobicContact CG1-CB 3.67Å
32V91Very high89.1Confident3 Ų353.6 Ų53.62%0.01830%0.299CS..  trans-105.5109.1-178.9-174.30000109.3V22 I25 H26 I37 C77 Y78V22-V32 HydrophobicContact CG1-CG1 4.47Å; V22-V32 HydrophobicContact CG1-CG2 4.22Å; V22-V32 HydrophobicContact CG2-CG1 4.29Å; I25-V32 HydrophobicContact CB-CG1 4.13Å; I25-V32 HydrophobicContact CB-CG2 4Å; I25-V32 HydrophobicContact CD1-CG1 4.12Å; I25-V32 HydrophobicContact CG2-CB 4.19Å; I25-V32 HydrophobicContact CG2-CG1 3.98Å; I25-V32 HydrophobicContact CG2-CG2 3.89Å; H26-V32 HydrophobicContact CB-CG2 3.75Å; V32-I37 HydrophobicContact CG1-CD1 3.84Å; V32-I37 HydrophobicContact CG1-CG1 3.6Å; V32-C77 CarbonylContact O-C 3.51Å; V32-C77 WeakPolarHBondContact O-CA 3.24Å; V32-Y78 WeakPolarHBondContact CB-O 3.45Å; V32-Y78 PolarHBondContact O-N 3.2Å
33T92Very high89.1Confident15 Ų1561.9 Ų61.99%0.09233%0.334CS..BIsolated β-bridgetrans-97.6166.9175.770.50000111.7V31 E35 D36 I37 K73V31-T33 HydrophobicContact CG1-CG2 4.41Å; T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 3.12Å; T33-D36 WeakPolarHBondContact CB-OD2 3.05Å; T33-D36 PolarHBondContact N-OD2 3.37Å; T33-D36 PolarHBondContact O-N 3.24Å; T33-D36 PolarHBondContact OG1-N 3.11Å; T33-D36 PolarHBondContact OG1-OD2 3.19Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 2.86Å; T33-I37 VanDerWaalsContact O-N 3.15Å; T33-K73 HydrophobicContact CG2-CD 4.06Å
34L92.6Very high89.3Confident40 Ų4061.4 Ų61.421%0.20934%0.339CS..Hα-helixtrans-57.4-41.5175.5-175.558.7000111.9D36 I37 V38 E53 V56 Y78L34-D36 VanDerWaalsContact C-N 3.33Å; L34-D36 PolarHBondContact O-N 3.26Å; L34-I37 PolarHBondContact O-N 3.49Å; L34-V38 HydrophobicContact CD1-CG2 4.35Å; L34-V38 HydrophobicContact CG-CG2 4.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.18Å; L34-V38 PolarHBondContact O-N 3.25Å; L34-E53 HydrophobicContact CD1-CG 4.2Å; L34-E53 HydrophobicContact CD2-CG 4.06Å; L34-E53 HydrophobicContact CG-CG 4.36Å; L34-V56 HydrophobicContact CD1-CB 4.11Å; L34-V56 HydrophobicContact CD1-CG1 4.01Å; L34-V56 HydrophobicContact CD1-CG2 4.14Å; L34-Y78 HydrophobicContact CB-CE2 3.96Å
35E91.7Very high89.5Confident103 Ų10360.9 Ų60.948%0.48133%0.332SS..Hα-helixtrans-63.5-38.5179.2-62.3-55.1140.800112.2T33 I37 V38 G39 R49T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 3.12Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 2.97Å; E35-V38 PolarHBondContact O-N 2.99Å; E35-G39 PolarHBondContact O-N 3.46Å; E35-R49 IonicContact OE1-CZ 3.15Å; E35-R49 IonicContact OE1-NH1 2.63Å; E35-R49 IonicContact OE1-NH2 3.92Å; E35-R49 PolarHBondContact OE1-NH2 3.32Å; E35-R49 IonicContact OE2-CZ 3.03Å; E35-R49 IonicContact OE2-NH1 3.37Å; E35-R49 PolarHBondContact OE2-NH1 2.88Å; E35-R49 IonicContact OE2-NH2 2.77Å; E35-R49 PolarHBondContact OE2-NH2 3.49Å
36D92.1Very high89.6Confident53 Ų5363.3 Ų63.328%0.28336%0.359SS..Hα-helixtrans-64.5-40.8176.4-56.7-52.8000110.9I25 T33 L34 K40I25-D36 HydrophobicContact CD1-CB 4.1Å; I25-D36 WeakPolarHBondContact CD1-O 3.45Å; I25-D36 HydrophobicContact CG2-CB 3.73Å; T33-D36 WeakPolarHBondContact CB-OD2 3.05Å; T33-D36 PolarHBondContact N-OD2 3.37Å; T33-D36 PolarHBondContact O-N 3.24Å; T33-D36 PolarHBondContact OG1-N 3.11Å; T33-D36 PolarHBondContact OG1-OD2 3.19Å; L34-D36 VanDerWaalsContact C-N 3.33Å; L34-D36 PolarHBondContact O-N 3.26Å; D36-K40 VanDerWaalsContact O-CB 3.31Å; D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 PolarHBondContact O-N 3.15Å; D36-K40 VanDerWaalsContact O-N 3.1Å
37I93.7Very high90Very high0 Ų059.9 Ų59.90%034%0.342CS..Hα-helixtrans-65.8-50.5177.9-62.1171.2000109.9L18 L21 V22 I25 V32 T33 L34 E35 G39 K40 A41 T52 V56 Y78L18-I37 HydrophobicContact CD1-CG2 3.68Å; L21-I37 HydrophobicContact CD1-CG2 4.44Å; V22-I37 HydrophobicContact CG2-CD1 4.19Å; I25-I37 HydrophobicContact CD1-CG1 4.09Å; V32-I37 HydrophobicContact CG1-CD1 3.84Å; V32-I37 HydrophobicContact CG1-CG1 3.6Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 2.86Å; T33-I37 VanDerWaalsContact O-N 3.15Å; L34-I37 PolarHBondContact O-N 3.49Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 2.97Å; I37-G39 PolarHBondContact O-N 3.36Å; I37-K40 PolarHBondContact O-N 3.05Å; I37-A41 WeakPolarHBondContact O-CB 3.44Å; I37-A41 PolarHBondContact O-N 3.4Å; I37-T52 HydrophobicContact CG2-CG2 3.77Å; I37-V56 HydrophobicContact CD1-CG2 4.06Å; I37-V56 HydrophobicContact CG2-CG2 3.93Å; I37-Y78 HydrophobicContact CD1-CD2 4Å; I37-Y78 HydrophobicContact CD1-CG 4.22Å
38V94.8Very high90.6Very high7 Ų756.5 Ų56.54%0.04233%0.327CS..Hα-helixtrans-56.1-52.5178.81710000110.5L34 E35 K40 A41 E42 R49 T52 E53L34-V38 HydrophobicContact CD1-CG2 4.35Å; L34-V38 HydrophobicContact CG-CG2 4.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.18Å; L34-V38 PolarHBondContact O-N 3.25Å; E35-V38 PolarHBondContact O-N 2.99Å; V38-K40 VanDerWaalsContact C-N 3.25Å; V38-K40 PolarHBondContact O-N 3.27Å; V38-A41 PolarHBondContact O-N 2.81Å; V38-E42 WeakPolarHBondContact O-CB 3.28Å; V38-E42 PolarHBondContact O-N 3.1Å; V38-R49 HydrophobicContact CG1-CB 4.16Å; V38-R49 HydrophobicContact CG1-CG 3.93Å; V38-R49 HydrophobicContact CG2-CG 4.35Å; V38-T52 HydrophobicContact CG2-CG2 3.88Å; V38-E53 HydrophobicContact CG2-CG 4.35Å
39G92.5Very high91.2Very high30 Ų3057.4 Ų57.431%0.30932%0.317SS..Hα-helixtrans-64-28.1-178.200000113.9E35 I37 K43E35-G39 PolarHBondContact O-N 3.46Å; I37-G39 PolarHBondContact O-N 3.36Å; G39-K43 WeakPolarHBondContact O-CD 3.29Å; G39-K43 WeakPolarHBondContact O-CG 3.36Å
40K92.2Very high92.1Very high81 Ų8160.2 Ų60.235%0.35232%0.323SS..Hα-helixtrans-85.7-37.2175.8-163.774.1179-172.50112.4L21 I25 D36 I37 V38 K43 T44L21-K40 HydrophobicContact CD2-CB 4.04Å; L21-K40 HydrophobicContact CD2-CG 3.51Å; I25-K40 HydrophobicContact CD1-CB 4.08Å; I25-K40 HydrophobicContact CG1-CB 4.45Å; I25-K40 HydrophobicContact CG1-CG 4.49Å; D36-K40 VanDerWaalsContact O-CB 3.31Å; D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 PolarHBondContact O-N 3.15Å; D36-K40 VanDerWaalsContact O-N 3.1Å; I37-K40 PolarHBondContact O-N 3.05Å; V38-K40 VanDerWaalsContact C-N 3.25Å; V38-K40 PolarHBondContact O-N 3.27Å; K40-K43 PolarHBondContact O-N 3.07Å; K40-T44 VanDerWaalsContact O-CB 3.26Å; K40-T44 WeakPolarHBondContact O-CB 3.26Å; K40-T44 PolarHBondContact O-N 3.37Å; K40-T44 PolarHBondContact O-OG1 2.9Å
41A94.5Very high92.9Very high0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-65.6-45.6179.300000111.5L21 I37 V38 K43 T44 F45 G46 W47 T52L21-A41 HydrophobicContact CD1-CB 3.74Å; I37-A41 WeakPolarHBondContact O-CB 3.44Å; I37-A41 PolarHBondContact O-N 3.4Å; V38-A41 PolarHBondContact O-N 2.81Å; A41-K43 VanDerWaalsContact C-N 3.31Å; A41-K43 PolarHBondContact O-N 3.03Å; A41-T44 PolarHBondContact O-N 2.92Å; A41-F45 PolarHBondContact O-N 3.27Å; A41-G46 PolarHBondContact O-N 3.37Å; A41-W47 HydrophobicContact CB-CB 4.45Å; A41-W47 HydrophobicContact CB-CD2 4.41Å; A41-W47 HydrophobicContact CB-CE3 3.76Å; A41-W47 HydrophobicContact CB-CZ3 4.44Å; A41-T52 HydrophobicContact CB-CG2 3.94Å
42E93.9Very high93.4Very high127 Ų12759.3 Ų59.359%0.59331%0.307SS*.Hα-helixtrans-57-45.6176.1-173.5-178.9-173.700110.9V38 G46V38-E42 WeakPolarHBondContact O-CB 3.28Å; V38-E42 PolarHBondContact O-N 3.1Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.46Å; E42-G46 PolarHBondContact O-N 2.83Å
43K92.5Very high93.6Very high180 Ų18062.5 Ų62.578%0.78332%0.321SS*.Hα-helixtrans-71.2-31.3179.7-67.9177.7-173.3176.50114.3G39 K40 A41G39-K43 WeakPolarHBondContact O-CD 3.29Å; G39-K43 WeakPolarHBondContact O-CG 3.36Å; K40-K43 PolarHBondContact O-N 3.07Å; A41-K43 VanDerWaalsContact C-N 3.31Å; A41-K43 PolarHBondContact O-N 3.03Å
44T92.5Very high93.7Very high73 Ų7364.2 Ų64.245%0.44834%0.337SS..Hα-helixtrans-95.2-39.6-170.8-49.30000112.2K40 A41K40-T44 VanDerWaalsContact O-CB 3.26Å; K40-T44 WeakPolarHBondContact O-CB 3.26Å; K40-T44 PolarHBondContact O-N 3.37Å; K40-T44 PolarHBondContact O-OG1 2.9Å; A41-T44 PolarHBondContact O-N 2.92Å
45F92.1Very high93.8Very high72 Ų7265 Ų6532%0.31634%0.338SS..Hα-helixtrans-122.7-7.9-172.9-53.6-58.3000113.5Q17 L21 A41 W47Q17-F45 HydrophobicContact CB-CD2 4.43Å; Q17-F45 HydrophobicContact CB-CE1 4.29Å; Q17-F45 HydrophobicContact CB-CE2 3.76Å; Q17-F45 HydrophobicContact CB-CZ 3.69Å; Q17-F45 HydrophobicContact CG-CE1 3.91Å; Q17-F45 HydrophobicContact CG-CE2 4.29Å; Q17-F45 HydrophobicContact CG-CZ 3.78Å; L21-F45 HydrophobicContact CD1-CD2 4.03Å; L21-F45 HydrophobicContact CD1-CE2 3.66Å; L21-F45 HydrophobicContact CD2-CE2 3.85Å; L21-F45 HydrophobicContact CG-CD2 4.47Å; L21-F45 HydrophobicContact CG-CE2 3.68Å; A41-F45 PolarHBondContact O-N 3.27Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 HydrophobicContact CB-CD2 4.17Å; F45-W47 HydrophobicContact CB-CG 4.07Å; F45-W47 HydrophobicContact CD2-CD2 4.42Å; F45-W47 HydrophobicContact CD2-CH2 4.4Å; F45-W47 HydrophobicContact CD2-CZ2 4.24Å; F45-W47 PolarHBondContact O-N 3.37Å
46G91.7Very high93.9Very high59 Ų5960.2 Ų60.261%0.60832%0.315SS*.  trans70.922.7-177.900000113.7A41 E42A41-G46 PolarHBondContact O-N 3.37Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.46Å; E42-G46 PolarHBondContact O-N 2.83Å
47W95.4Very high93.9Very high30 Ų3064 Ų6411%0.11433%0.329CS..  trans-69.3142.4177.1-65.5-8.4000111.1V14 Q17 L18 A41 F45 T52 Y55V14-W47 HydrophobicContact CB-CH2 4.5Å; V14-W47 HydrophobicContact CB-CZ2 4.48Å; V14-W47 HydrophobicContact CG1-CH2 3.72Å; V14-W47 HydrophobicContact CG1-CZ2 4.02Å; V14-W47 HydrophobicContact CG2-CZ2 4.32Å; Q17-W47 HydrophobicContact CB-CH2 4.06Å; Q17-W47 HydrophobicContact CB-CZ2 4.2Å; L18-W47 HydrophobicContact CD1-CZ3 4.43Å; A41-W47 HydrophobicContact CB-CB 4.45Å; A41-W47 HydrophobicContact CB-CD2 4.41Å; A41-W47 HydrophobicContact CB-CE3 3.76Å; A41-W47 HydrophobicContact CB-CZ3 4.44Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 HydrophobicContact CB-CD2 4.17Å; F45-W47 HydrophobicContact CB-CG 4.07Å; F45-W47 HydrophobicContact CD2-CD2 4.42Å; F45-W47 HydrophobicContact CD2-CH2 4.4Å; F45-W47 HydrophobicContact CD2-CZ2 4.24Å; F45-W47 PolarHBondContact O-N 3.37Å; W47-T52 WeakPolarHBondContact CB-OG1 3.3Å; W47-T52 HydrophobicContact CE3-CG2 4.42Å; W47-Y55 HydrophobicContact CD2-CD2 4.11Å; W47-Y55 AromaticContact CD2-CE2 3.96Å; W47-Y55 HydrophobicContact CD2-CE2 3.96Å; W47-Y55 AromaticContact CE2-CE2 4Å; W47-Y55 AromaticContact CE3-CD2 3.76Å; W47-Y55 HydrophobicContact CE3-CD2 3.76Å; W47-Y55 HydrophobicContact CE3-CE2 4.1Å; W47-Y55 HydrophobicContact CG-CE2 4.46Å; W47-Y55 HydrophobicContact CH2-CD2 4Å; W47-Y55 HydrophobicContact CH2-CE2 4.37Å; W47-Y55 HydrophobicContact CZ2-CD2 4.28Å; W47-Y55 HydrophobicContact CZ2-CE2 4.18Å; W47-Y55 AromaticContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CE2 4.33Å
48T95.2Very high93.8Very high65 Ų6566 Ų6640%0.39934%0.338SS..  trans-68.6161.7169.270.10000110E50 D51 T52T48-E50 VanDerWaalsContact C-N 3.3Å; T48-D51 PolarHBondContact O-N 2.96Å; T48-D51 WeakPolarHBondContact OG1-CB 3.27Å; T48-D51 PolarHBondContact OG1-N 3.02Å; T48-D51 VanDerWaalsContact OG1-N 3.07Å; T48-D51 PolarHBondContact OG1-OD2 3.25Å; T48-T52 WeakPolarHBondContact O-CB 3.39Å; T48-T52 PolarHBondContact O-N 3.39Å; T48-T52 PolarHBondContact O-OG1 3.21Å
49R94.6Very high93.7Very high103 Ų10365.7 Ų65.739%0.38934%0.336SS..Hα-helixtrans-61.8-44.5175.2179.6169.8-177.6117.210.4110.2E35 V38 D51 T52 E53E35-R49 IonicContact OE1-CZ 3.15Å; E35-R49 IonicContact OE1-NH1 2.63Å; E35-R49 IonicContact OE1-NH2 3.92Å; E35-R49 PolarHBondContact OE1-NH2 3.32Å; E35-R49 IonicContact OE2-CZ 3.03Å; E35-R49 IonicContact OE2-NH1 3.37Å; E35-R49 PolarHBondContact OE2-NH1 2.88Å; E35-R49 IonicContact OE2-NH2 2.77Å; E35-R49 PolarHBondContact OE2-NH2 3.49Å; V38-R49 HydrophobicContact CG1-CB 4.16Å; V38-R49 HydrophobicContact CG1-CG 3.93Å; V38-R49 HydrophobicContact CG2-CG 4.35Å; R49-D51 PolarHBondContact O-N 2.86Å; R49-T52 PolarHBondContact O-N 2.74Å; R49-E53 HydrophobicContact CG-CG 4.31Å; R49-E53 IonicContact CZ-OE1 3.41Å; R49-E53 IonicContact NE-OE1 3.08Å; R49-E53 PolarHBondContact NE-OE1 2.89Å; R49-E53 IonicContact NH2-OE1 3.09Å; R49-E53 PolarHBondContact NH2-OE1 2.86Å; R49-E53 WeakPolarHBondContact O-CB 3.28Å; R49-E53 VanDerWaalsContact O-CG 3.31Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.17Å
50E95.5Very high93.6Very high136 Ų13665 Ų6564%0.63633%0.328SS*.Hα-helixtrans-59.1-46.2179.8-64.772.8-160.900111.7T48 A54T48-E50 VanDerWaalsContact C-N 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.43Å; E50-A54 PolarHBondContact O-N 2.99Å
51D95.1Very high93.5Very high69 Ų6963.8 Ų63.837%0.36933%0.325SS..Hα-helixtrans-64.6-44.5177.5-65.5-38.8000111.4T48 R49 E53 A54 Y55T48-D51 PolarHBondContact O-N 2.96Å; T48-D51 WeakPolarHBondContact OG1-CB 3.27Å; T48-D51 PolarHBondContact OG1-N 3.02Å; T48-D51 VanDerWaalsContact OG1-N 3.07Å; T48-D51 PolarHBondContact OG1-OD2 3.25Å; R49-D51 PolarHBondContact O-N 2.86Å; D51-E53 PolarHBondContact O-N 3.04Å; D51-A54 PolarHBondContact O-N 3.17Å; D51-Y55 HydrophobicContact CB-CE2 3.97Å; D51-Y55 WeakPolarHBondContact O-CD2 3.46Å; D51-Y55 PolarHBondContact O-N 2.82Å
52T95.5Very high93.2Very high0 Ų064.2 Ų64.20%033%0.329CS..Hα-helixtrans-62.8-44.8-179.8-55.50000111.2I37 V38 A41 W47 T48 R49 A54 Y55 V56I37-T52 HydrophobicContact CG2-CG2 3.77Å; V38-T52 HydrophobicContact CG2-CG2 3.88Å; A41-T52 HydrophobicContact CB-CG2 3.94Å; W47-T52 WeakPolarHBondContact CB-OG1 3.3Å; W47-T52 HydrophobicContact CE3-CG2 4.42Å; T48-T52 WeakPolarHBondContact O-CB 3.39Å; T48-T52 PolarHBondContact O-N 3.39Å; T48-T52 PolarHBondContact O-OG1 3.21Å; R49-T52 PolarHBondContact O-N 2.74Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-Y55 PolarHBondContact O-N 3.36Å; T52-V56 HydrophobicContact CG2-CG2 4.43Å; T52-V56 WeakPolarHBondContact O-CB 3.2Å; T52-V56 VanDerWaalsContact O-CG2 3.28Å; T52-V56 WeakPolarHBondContact O-CG2 3.42Å; T52-V56 PolarHBondContact O-N 2.75Å
53E95.2Very high92.9Very high70 Ų7064.2 Ų64.233%0.32732%0.323SS..Hα-helixtrans-62.7-41.1176.5-69.9-173.9-177.300111.4L34 V38 R49 D51 K57L34-E53 HydrophobicContact CD1-CG 4.2Å; L34-E53 HydrophobicContact CD2-CG 4.06Å; L34-E53 HydrophobicContact CG-CG 4.36Å; V38-E53 HydrophobicContact CG2-CG 4.35Å; R49-E53 HydrophobicContact CG-CG 4.31Å; R49-E53 IonicContact CZ-OE1 3.41Å; R49-E53 IonicContact NE-OE1 3.08Å; R49-E53 PolarHBondContact NE-OE1 2.89Å; R49-E53 IonicContact NH2-OE1 3.09Å; R49-E53 PolarHBondContact NH2-OE1 2.86Å; R49-E53 WeakPolarHBondContact O-CB 3.28Å; R49-E53 VanDerWaalsContact O-CG 3.31Å; R49-E53 WeakPolarHBondContact O-CG 3.26Å; R49-E53 PolarHBondContact O-N 3.17Å; D51-E53 PolarHBondContact O-N 3.04Å; E53-K57 VanDerWaalsContact O-CB 3.24Å; E53-K57 WeakPolarHBondContact O-CB 3.43Å; E53-K57 PolarHBondContact O-N 3.49Å
54A94.1Very high92.8Very high50 Ų5055.7 Ų55.741%0.41329%0.286SS..Hα-helixtrans-62.3-47.5175.200000112.2E50 D51 T52 V56 K57 E58E50-A54 WeakPolarHBondContact O-CB 3.43Å; E50-A54 PolarHBondContact O-N 2.99Å; D51-A54 PolarHBondContact O-N 3.17Å; T52-A54 VanDerWaalsContact C-N 3.34Å; A54-V56 PolarHBondContact O-N 3.37Å; A54-K57 PolarHBondContact O-N 3.44Å; A54-E58 WeakPolarHBondContact O-CB 3.43Å; A54-E58 PolarHBondContact O-N 3.23Å
55Y95Very high92.7Very high58 Ų5852.4 Ų52.423%0.22727%0.266CS..Hα-helixtrans-63.1-42.6178.3-62.1-30.2000112.6I10 V14 W47 D51 T52 C59I10-Y55 HydrophobicContact CG1-CD1 4.46Å; V14-Y55 HydrophobicContact CG1-CD1 3.94Å; V14-Y55 HydrophobicContact CG1-CD2 3.65Å; V14-Y55 HydrophobicContact CG1-CE1 4.28Å; V14-Y55 HydrophobicContact CG1-CE2 4Å; V14-Y55 HydrophobicContact CG1-CG 3.62Å; W47-Y55 HydrophobicContact CD2-CD2 4.11Å; W47-Y55 AromaticContact CD2-CE2 3.96Å; W47-Y55 HydrophobicContact CD2-CE2 3.96Å; W47-Y55 AromaticContact CE2-CE2 4Å; W47-Y55 AromaticContact CE3-CD2 3.76Å; W47-Y55 HydrophobicContact CE3-CD2 3.76Å; W47-Y55 HydrophobicContact CE3-CE2 4.1Å; W47-Y55 HydrophobicContact CG-CE2 4.46Å; W47-Y55 HydrophobicContact CH2-CD2 4Å; W47-Y55 HydrophobicContact CH2-CE2 4.37Å; W47-Y55 HydrophobicContact CZ2-CD2 4.28Å; W47-Y55 HydrophobicContact CZ2-CE2 4.18Å; W47-Y55 AromaticContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CD2 3.73Å; W47-Y55 HydrophobicContact CZ3-CE2 4.33Å; D51-Y55 HydrophobicContact CB-CE2 3.97Å; D51-Y55 WeakPolarHBondContact O-CD2 3.46Å; D51-Y55 PolarHBondContact O-N 2.82Å; T52-Y55 PolarHBondContact O-N 3.36Å; Y55-C59 WeakPolarHBondContact O-CB 3.18Å; Y55-C59 PolarHBondContact O-N 2.89Å; Y55-C59 PolarHBondContact O-SG 2.93Å
56V94.5Very high92.7Very high1 Ų151.3 Ų51.31%0.00627%0.265CS..Hα-helixtrans-64.6-45.1177.6170.90000110.6L18 L34 I37 T52 A54 C59 A60 L65 Y78L18-V56 HydrophobicContact CD1-CG2 3.87Å; L18-V56 HydrophobicContact CD2-CG2 4.2Å; L34-V56 HydrophobicContact CD1-CB 4.11Å; L34-V56 HydrophobicContact CD1-CG1 4.01Å; L34-V56 HydrophobicContact CD1-CG2 4.14Å; I37-V56 HydrophobicContact CD1-CG2 4.06Å; I37-V56 HydrophobicContact CG2-CG2 3.93Å; T52-V56 HydrophobicContact CG2-CG2 4.43Å; T52-V56 WeakPolarHBondContact O-CB 3.2Å; T52-V56 VanDerWaalsContact O-CG2 3.28Å; T52-V56 WeakPolarHBondContact O-CG2 3.42Å; T52-V56 PolarHBondContact O-N 2.75Å; A54-V56 PolarHBondContact O-N 3.37Å; V56-C59 PolarHBondContact O-N 3.31Å; V56-A60 WeakPolarHBondContact O-CB 3.48Å; V56-A60 PolarHBondContact O-N 3.32Å; V56-L65 HydrophobicContact CG1-CD1 4.46Å; V56-Y78 HydrophobicContact CG1-CD1 3.67Å; V56-Y78 HydrophobicContact CG1-CD2 4.26Å; V56-Y78 HydrophobicContact CG1-CE1 3.29Å; V56-Y78 HydrophobicContact CG1-CE2 3.95Å; V56-Y78 HydrophobicContact CG1-CG 4.13Å; V56-Y78 VanDerWaalsContact CG1-CZ 3.44Å
57K92.5Very high92.7Very high133 Ų13354.2 Ų54.258%0.57826%0.257SS*.Hα-helixtrans-60.9-51.7178.6-178.1-177.2175.8-173.30111.2E53 A54 C59 A60 D61E53-K57 VanDerWaalsContact O-CB 3.24Å; E53-K57 WeakPolarHBondContact O-CB 3.43Å; E53-K57 PolarHBondContact O-N 3.49Å; A54-K57 PolarHBondContact O-N 3.44Å; K57-C59 PolarHBondContact O-N 3.19Å; K57-A60 WeakPolarHBondContact O-CB 3.5Å; K57-A60 PolarHBondContact O-N 2.94Å; K57-A60 VanDerWaalsContact O-N 3.16Å; K57-D61 VanDerWaalsContact O-CG 3.29Å; K57-D61 PolarHBondContact O-N 3.28Å
58E91.7Very high92.4Very high42 Ų4256.8 Ų56.820%0.19627%0.273CS..Hα-helixtrans-68.4-35-178.8-173.3-170.4151.600111.7S9 I10 A54 A60 D61 C62S9-E58 WeakPolarHBondContact CA-OE1 3.47Å; S9-E58 WeakPolarHBondContact CB-OE1 3.33Å; S9-E58 PolarHBondContact N-OE1 2.86Å; S9-E58 PolarHBondContact OG-OE1 3.4Å; S9-E58 PolarHBondContact OG-OE2 2.98Å; I10-E58 HydrophobicContact CD1-CB 3.5Å; I10-E58 HydrophobicContact CD1-CG 3.52Å; I10-E58 HydrophobicContact CG1-CB 4.12Å; I10-E58 VanDerWaalsContact CG1-CD 3.4Å; I10-E58 HydrophobicContact CG1-CG 3.99Å; I10-E58 WeakPolarHBondContact CG1-OE1 3.48Å; I10-E58 PolarHBondContact N-OE1 3.38Å; A54-E58 WeakPolarHBondContact O-CB 3.43Å; A54-E58 PolarHBondContact O-N 3.23Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.43Å; E58-D61 PolarHBondContact O-N 3.43Å; E58-C62 WeakPolarHBondContact O-CB 3.48Å; E58-C62 PolarHBondContact O-N 3.44Å; E58-C62 PolarHBondContact O-SG 2.91Å
59C92.3Very high91.9Very high0 Ų057.3 Ų57.30%028%0.284CS..Hα-helixtrans-61.1-40.5171.4-80.60000111.7I10 L18 Y55 V56 K57 R63 L64 L65I10-C59 HydrophobicContact CD1-CB 4.29Å; I10-C59 WeakPolarHBondContact CD1-SG 3.29Å; L18-C59 HydrophobicContact CD2-CB 3.94Å; L18-C59 VanDerWaalsContact CD2-SG 3.51Å; Y55-C59 WeakPolarHBondContact O-CB 3.18Å; Y55-C59 PolarHBondContact O-N 2.89Å; Y55-C59 PolarHBondContact O-SG 2.93Å; V56-C59 PolarHBondContact O-N 3.31Å; K57-C59 PolarHBondContact O-N 3.19Å; C59-R63 PolarHBondContact O-N 3.46Å; C59-R63 VanDerWaalsContact O-N 3.16Å; C59-L64 HydrophobicContact CB-CB 4.11Å; C59-L64 WeakPolarHBondContact O-CA 3.19Å; C59-L64 WeakPolarHBondContact O-CB 3.34Å; C59-L64 PolarHBondContact O-N 3.25Å; C59-L65 HydrophobicContact CB-CB 4.25Å; C59-L65 HydrophobicContact CB-CD1 3.85Å; C59-L65 HydrophobicContact CB-CG 3.89Å; C59-L65 PolarHBondContact O-N 2.97Å; C59-L65 VanDerWaalsContact O-N 3.09Å
60A90.8Very high91Very high17 Ų1753.9 Ų53.914%0.1427%0.274CS..Hα-helixtrans-66.2-43.9176.400000111.5V56 K57 E58 C62 R63 L65 R67V56-A60 WeakPolarHBondContact O-CB 3.48Å; V56-A60 PolarHBondContact O-N 3.32Å; K57-A60 WeakPolarHBondContact O-CB 3.5Å; K57-A60 PolarHBondContact O-N 2.94Å; K57-A60 VanDerWaalsContact O-N 3.16Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.43Å; A60-C62 VanDerWaalsContact C-N 3.32Å; A60-C62 PolarHBondContact O-N 3.31Å; A60-R63 PolarHBondContact O-N 2.87Å; A60-R63 VanDerWaalsContact O-N 3.11Å; A60-L65 WeakPolarHBondContact CA-O 3.38Å; A60-R67 HydrophobicContact CB-CB 4.21Å
61D89.1Confident90Very high54 Ų5453.1 Ų53.129%0.28928%0.284SS..Hα-helixtrans-64.9-36.9177.9-66.3-19.2000111.5F6 K57 E58 R63F6-D61 HydrophobicContact CD1-CB 4.37Å; F6-D61 HydrophobicContact CE1-CB 4.11Å; F6-D61 HydrophobicContact CZ-CB 4.32Å; K57-D61 VanDerWaalsContact O-CG 3.29Å; K57-D61 PolarHBondContact O-N 3.28Å; E58-D61 PolarHBondContact O-N 3.43Å; D61-R63 PolarHBondContact O-N 3Å
62C87.3Confident88.9Confident10 Ų1056.2 Ų56.27%0.06831%0.305CS..THydrogen-bonded Turntrans-80.43175.4-64.70000114.2R8 E58 A60 L64R8-C62 HydrophobicContact CG-CB 4.16Å; R8-C62 PolarHBondContact NH2-O 3.03Å; E58-C62 WeakPolarHBondContact O-CB 3.48Å; E58-C62 PolarHBondContact O-N 3.44Å; E58-C62 PolarHBondContact O-SG 2.91Å; A60-C62 VanDerWaalsContact C-N 3.32Å; A60-C62 PolarHBondContact O-N 3.31Å; C62-L64 HydrophobicContact CB-CD1 4.12Å; C62-L64 HydrophobicContact CB-CG 4.16Å; C62-L64 PolarHBondContact O-N 3.49Å
63R88.2Confident87.7Confident126 Ų12661.7 Ų61.748%0.47533%0.328SS..THydrogen-bonded Turntrans58.824.9-177.5-52.8171.7-178.3168.9-10.7114.3C59 A60 D61 L65 P81 E85C59-R63 PolarHBondContact O-N 3.46Å; C59-R63 VanDerWaalsContact O-N 3.16Å; A60-R63 PolarHBondContact O-N 2.87Å; A60-R63 VanDerWaalsContact O-N 3.11Å; D61-R63 PolarHBondContact O-N 3Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-P81 VanDerWaalsContact O-CG 3.3Å; R63-P81 WeakPolarHBondContact O-CG 3.35Å; R63-E85 IonicContact CZ-OE1 2.94Å; R63-E85 IonicContact CZ-OE2 3.87Å; R63-E85 VanDerWaalsContact NH1-CD 3.25Å; R63-E85 IonicContact NH1-OE1 3.93Å; R63-E85 PolarHBondContact NH1-OE1 2.98Å; R63-E85 IonicContact NH1-OE2 2.65Å; R63-E85 PolarHBondContact NH1-OE2 3.5Å
64L89.8Confident86.9Confident2 Ų265.9 Ų65.91%0.0135%0.353CS..SBendtrans-82.4-18.8169.5-63.8171.6000111.6V15 W19 C59 C62 P81 L157V15-L64 HydrophobicContact CG1-CB 4.34Å; V15-L64 HydrophobicContact CG1-CD1 4Å; V15-L64 HydrophobicContact CG1-CD2 4.33Å; V15-L64 HydrophobicContact CG1-CG 4.47Å; V15-L64 HydrophobicContact CG2-CD1 3.73Å; W19-L64 HydrophobicContact CZ2-CD2 4.25Å; W19-L64 PolarHBondContact NE1-O 3.48Å; C59-L64 HydrophobicContact CB-CB 4.11Å; C59-L64 WeakPolarHBondContact O-CA 3.19Å; C59-L64 WeakPolarHBondContact O-CB 3.34Å; C59-L64 PolarHBondContact O-N 3.25Å; C62-L64 HydrophobicContact CB-CD1 4.12Å; C62-L64 HydrophobicContact CB-CG 4.16Å; C62-L64 PolarHBondContact O-N 3.49Å; L64-P81 VanDerWaalsContact O-CD 3.3Å; L64-P81 WeakPolarHBondContact O-CD 3.4Å; L64-L157 HydrophobicContact CD2-CB 4.12Å
65L92.2Very high86.4Confident3 Ų365.2 Ų65.22%0.01635%0.348CS..SBendtrans-130.7145.7167.9-71.8178.9000110.2L18 V22 V56 C59 A60 R63 Y78 I80L18-L65 HydrophobicContact CD2-CD1 3.46Å; L18-L65 VanDerWaalsContact CD2-CD1 3.46Å; L18-L65 HydrophobicContact CD2-CG 4.34Å; L18-L65 HydrophobicContact CG-CD1 4.06Å; V22-L65 HydrophobicContact CG2-CD2 4.15Å; V56-L65 HydrophobicContact CG1-CD1 4.46Å; C59-L65 HydrophobicContact CB-CB 4.25Å; C59-L65 HydrophobicContact CB-CD1 3.85Å; C59-L65 HydrophobicContact CB-CG 3.89Å; C59-L65 PolarHBondContact O-N 2.97Å; C59-L65 VanDerWaalsContact O-N 3.09Å; A60-L65 WeakPolarHBondContact CA-O 3.38Å; R63-L65 VanDerWaalsContact C-N 3.34Å; L65-Y78 HydrophobicContact CD1-CD1 4.46Å; L65-I80 HydrophobicContact CD2-CG1 4.48Å
66V91.3Very high86.1Confident50 Ų5068.5 Ų68.530%0.30336%0.361SS..EExtended strand (participates in β ladder)trans-92.9122.8168.7-179.10000108Y78 S79 P81V66-Y78 WeakPolarHBondContact O-CA 3.5Å; V66-S79 PolarHBondContact N-O 3.49Å; V66-S79 PolarHBondContact O-N 3.47Å; V66-P81 HydrophobicContact CG2-CB 4.03Å; V66-P81 HydrophobicContact CG2-CG 3.92Å
67R91.4Very high85.9Confident119 Ų11969.6 Ų69.645%0.44937%0.368SS..EExtended strand (participates in β ladder)trans-100.1112.2173.3-178.9-175.267.1-155.1-4109.4A60 Y76 Y78A60-R67 HydrophobicContact CB-CB 4.21Å; R67-Y76 HydrophobicContact CG-CD1 3.59Å; R67-Y76 HydrophobicContact CG-CE1 4.32Å; R67-Y76 HydrophobicContact CG-CG 3.88Å; R67-Y78 HydrophobicContact CB-CD1 4.18Å; R67-Y78 HydrophobicContact CB-CE1 3.93Å; R67-Y78 HydrophobicContact CG-CD1 4.39Å; R67-Y78 HydrophobicContact CG-CE1 3.78Å
68N89.1Confident86Confident84 Ų8464.3 Ų64.345%0.44935%0.345SS..EExtended strand (participates in β ladder)trans-111.8144175.6-70.9-28.1000110.3Y76 C77N68-Y76 CarbonylContact O-C 3.48Å; N68-Y76 WeakPolarHBondContact O-CA 3.36Å; N68-C77 PolarHBondContact N-O 3.42Å; N68-C77 PolarHBondContact O-N 2.87Å; N68-C77 PolarHBondContact O-SG 2.89Å
69A84.7Confident86Confident76 Ų7664.4 Ų64.463%0.62835%0.35SS*.EExtended strand (participates in β ladder)trans-81.2120.717300000109.4Y76A69-Y76 HydrophobicContact CB-CD1 4.26Å; A69-Y76 HydrophobicContact CB-CE1 4.1Å
70D76.3Confident85.8Confident31 Ų3165.7 Ų65.717%0.16636%0.357CS..EExtended strand (participates in β ladder)trans-89.1111173.6-174.4-9.8000109.4V72 N74 A75D70-V72 PolarHBondContact O-N 2.92Å; D70-V72 WeakPolarHBondContact OD1-CB 3.48Å; D70-V72 PolarHBondContact OD1-N 2.88Å; D70-N74 WeakPolarHBondContact O-CA 3.27Å; D70-N74 PolarHBondContact O-N 3.49Å; D70-N74 VanDerWaalsContact O-N 3.08Å; D70-A75 WeakPolarHBondContact CB-O 3.31Å; D70-A75 PolarHBondContact N-O 2.99Å; D70-A75 PolarHBondContact O-N 3.37Å
71S74.7Confident85.6Confident121 Ų12165.6 Ų65.685%0.84636%0.355SS*.THydrogen-bonded Turntrans-64.6-23.6178.1-49.10000113.2
72V71.9Confident85.3Confident134 Ų13471.3 Ų71.381%0.81238%0.382SS*.THydrogen-bonded Turntrans-82.1-42.4-175.3-175.20000111.2D70D70-V72 PolarHBondContact O-N 2.92Å; D70-V72 WeakPolarHBondContact OD1-CB 3.48Å; D70-V72 PolarHBondContact OD1-N 2.88Å
73K70Confident84.6Confident114 Ų11478.6 Ų78.650%0.49642%0.415SS..THydrogen-bonded Turntrans-93.4-3.9179.6-70-171.6177.5-177.50114.2T33 A75T33-K73 HydrophobicContact CG2-CD 4.06Å; K73-A75 HydrophobicContact CB-CB 4.16Å; K73-A75 PolarHBondContact O-N 3.17Å
74N78.1Confident83.8Confident158 Ų15873.7 Ų73.785%0.84540%0.401SS*.THydrogen-bonded Turntrans49.738.3-171.1-165.550.5000112.1D70D70-N74 WeakPolarHBondContact O-CA 3.27Å; D70-N74 PolarHBondContact O-N 3.49Å; D70-N74 VanDerWaalsContact O-N 3.08Å
75A83.4Confident82.7Confident37 Ų3779.5 Ų79.531%0.30643%0.428SS..EExtended strand (participates in β ladder)trans-140.1159.1-173.200000110.2D70 K73D70-A75 WeakPolarHBondContact CB-O 3.31Å; D70-A75 PolarHBondContact N-O 2.99Å; D70-A75 PolarHBondContact O-N 3.37Å; K73-A75 HydrophobicContact CB-CB 4.16Å; K73-A75 PolarHBondContact O-N 3.17Å
76Y89.2Confident81Confident126 Ų12688.3 Ų88.349%0.49447%0.469SS..EExtended strand (participates in β ladder)trans-80.1134171.5-69.4-70.3000110.8R67 N68 A69R67-Y76 HydrophobicContact CG-CD1 3.59Å; R67-Y76 HydrophobicContact CG-CE1 4.32Å; R67-Y76 HydrophobicContact CG-CG 3.88Å; N68-Y76 CarbonylContact O-C 3.48Å; N68-Y76 WeakPolarHBondContact O-CA 3.36Å; A69-Y76 HydrophobicContact CB-CD1 4.26Å; A69-Y76 HydrophobicContact CB-CE1 4.1Å
77C90.3Very high79.5Confident25 Ų2591.1 Ų91.117%0.16949%0.486CS..EExtended strand (participates in β ladder)trans-105147.216965.80000111.1V31 V32 N68V31-C77 HydrophobicContact CG1-CB 3.67Å; V32-C77 CarbonylContact O-C 3.51Å; V32-C77 WeakPolarHBondContact O-CA 3.24Å; N68-C77 PolarHBondContact N-O 3.42Å; N68-C77 PolarHBondContact O-N 2.87Å; N68-C77 PolarHBondContact O-SG 2.89Å
78Y93.4Very high78.2Confident21 Ų2188 Ų888%0.08248%0.479CS..EExtended strand (participates in β ladder)trans-118.5135.7-175.7-60.6-86.7000110.6V32 L34 I37 V56 L65 V66 R67V32-Y78 WeakPolarHBondContact CB-O 3.45Å; V32-Y78 PolarHBondContact O-N 3.2Å; L34-Y78 HydrophobicContact CB-CE2 3.96Å; I37-Y78 HydrophobicContact CD1-CD2 4Å; I37-Y78 HydrophobicContact CD1-CG 4.22Å; V56-Y78 HydrophobicContact CG1-CD1 3.67Å; V56-Y78 HydrophobicContact CG1-CD2 4.26Å; V56-Y78 HydrophobicContact CG1-CE1 3.29Å; V56-Y78 HydrophobicContact CG1-CE2 3.95Å; V56-Y78 HydrophobicContact CG1-CG 4.13Å; V56-Y78 VanDerWaalsContact CG1-CZ 3.44Å; L65-Y78 HydrophobicContact CD1-CD1 4.46Å; V66-Y78 WeakPolarHBondContact O-CA 3.5Å; R67-Y78 HydrophobicContact CB-CD1 4.18Å; R67-Y78 HydrophobicContact CB-CE1 3.93Å; R67-Y78 HydrophobicContact CG-CD1 4.39Å; R67-Y78 HydrophobicContact CG-CE1 3.78Å
79S91.4Very high77.6Confident44 Ų4491.9 Ų91.931%0.30849%0.494SS..EExtended strand (participates in β ladder)trans-140.2157.3175.856.20000110.7V66V66-S79 PolarHBondContact N-O 3.49Å; V66-S79 PolarHBondContact O-N 3.47Å
80I89.7Confident77.7Confident28 Ų2889.2 Ų89.214%0.14447%0.469CS..  trans-74.7135.5173.5-56.3178000107.7W19 V22 K23 L65 M82 Q154W19-I80 HydrophobicContact CB-CD1 3.74Å; W19-I80 HydrophobicContact CD2-CD1 4.43Å; W19-I80 HydrophobicContact CG-CD1 3.75Å; W19-I80 HydrophobicContact CG-CG1 4.13Å; V22-I80 HydrophobicContact CG1-CG1 4.12Å; K23-I80 HydrophobicContact CD-CD1 4.21Å; K23-I80 HydrophobicContact CG-CD1 3.75Å; L65-I80 HydrophobicContact CD2-CG1 4.48Å; I80-M82 PolarHBondContact O-N 2.98Å; I80-Q154 HydrophobicContact CG2-CG 4.12Å
81P86.6Confident78.2Confident15 Ų1587.9 Ų87.910%0.09746%0.462CS..  trans-53.9138.3176.4-21.228.6000112R63 L64 V66 E83 V153 L157R63-P81 VanDerWaalsContact O-CG 3.3Å; R63-P81 WeakPolarHBondContact O-CG 3.35Å; L64-P81 VanDerWaalsContact O-CD 3.3Å; L64-P81 WeakPolarHBondContact O-CD 3.4Å; V66-P81 HydrophobicContact CG2-CB 4.03Å; V66-P81 HydrophobicContact CG2-CG 3.92Å; P81-E83 WeakPolarHBondContact CB-O 3.35Å; P81-V153 VanDerWaalsContact O-CG1 3.31Å; P81-V153 WeakPolarHBondContact O-CG1 2.93Å; P81-L157 HydrophobicContact CB-CD1 4.03Å; P81-L157 HydrophobicContact CB-CD2 4.49Å; P81-L157 HydrophobicContact CG-CD1 3.8Å; P81-L157 HydrophobicContact CG-CD2 4.29Å
82M81.9Confident78.9Confident174 Ų17483.3 Ų83.386%0.85743%0.426SS*.SBendtrans-84.4-16.8174.7-67.2-176.865.100112.7I80 V153I80-M82 PolarHBondContact O-N 2.98Å; M82-V153 VanDerWaalsContact O-CG2 3.23Å; M82-V153 WeakPolarHBondContact O-CG2 3.33Å
83E73.4Confident79.9Confident163 Ų16377 Ų7776%0.76239%0.388SS*.SBendtrans-135.5148179.6-65.2177-17800108.8P81P81-E83 WeakPolarHBondContact CB-O 3.35Å
84A70.2Confident81Confident22 Ų2271.6 Ų71.618%0.18236%0.364CS..PPolyproline II helixtrans-102.5130.217000000107.7V153 R156 L157A84-V153 HydrophobicContact CB-CG1 4.48Å; A84-R156 HydrophobicContact CB-CB 3.75Å; A84-L157 HydrophobicContact CB-CD2 4.24Å; A84-L157 HydrophobicContact CB-CG 4.33Å
85E66.8Low81.8Confident124 Ų12465 Ų6558%0.57933%0.329SS*.PPolyproline II helixtrans-62152.9171.3-75.9-163.5-176.200110.6R63R63-E85 IonicContact CZ-OE1 2.94Å; R63-E85 IonicContact CZ-OE2 3.87Å; R63-E85 VanDerWaalsContact NH1-CD 3.25Å; R63-E85 IonicContact NH1-OE1 3.93Å; R63-E85 PolarHBondContact NH1-OE1 2.98Å; R63-E85 IonicContact NH1-OE2 2.65Å; R63-E85 PolarHBondContact NH1-OE2 3.5Å
86E57.9Low82.3Confident188 Ų18868 Ų6888%0.87934%0.339SS*.SBendtrans-56.8154.2-177.2-72.1-176.6169.200114.1
87V58.2Low82.6Confident110 Ų11063.9 Ų63.967%0.66733%0.329SS*.  trans-36.2121.5-166.6-172.40000114.4
88N65Low82.8Confident54 Ų5464 Ų6429%0.28933%0.327SS..  trans-74.5134.1161.9-63.3-75000108.7N90 W92 H161N88-N90 PolarHBondContact O-N 2.85Å; N88-W92 HydrophobicContact CB-CZ2 4.08Å; N88-W92 WeakPolarHBondContact ND2-CZ2 3.47Å; N88-W92 PolarHBondContact ND2-NE1 3.37Å; N88-W92 VanDerWaalsContact ND2-NE1 3.15Å; N88-W92 VanDerWaalsContact OD1-CZ2 3.23Å; N88-W92 WeakPolarHBondContact OD1-CZ2 3.33Å; N88-H161 PolarHBondContact O-CE1 2.6Å
89E75.8Confident82.8Confident164 Ų16466.4 Ų66.477%0.76634%0.339SS*.SBendtrans-58.8-30.5179.4-66.4175.2-178.300112.4F110 H161E89-F110 WeakPolarHBondContact O-CA 2.99Å; E89-F110 WeakPolarHBondContact O-CB 3.08Å; E89-H161 PolarHBondContact O-CE1 2.94Å
90N87.1Confident82.9Confident20 Ų2064.9 Ų64.911%0.10733%0.329CS..SBendtrans-123.7150.8179.3-57.998.4000112.6N88 K105 C106 C109 F110N88-N90 PolarHBondContact O-N 2.85Å; N90-K105 HydrophobicContact CB-CB 4.29Å; N90-K105 HydrophobicContact CB-CD 4Å; N90-K105 HydrophobicContact CB-CG 3.99Å; N90-C106 PolarHBondContact ND2-O 3.26Å; N90-C109 PolarHBondContact ND2-O 2.83Å; N90-F110 CarbonylContact C-O 3.52Å; N90-F110 WeakPolarHBondContact CA-O 3.19Å; N90-F110 WeakPolarHBondContact CB-O 3.36Å
91D87.3Confident83Confident4 Ų464.4 Ų64.42%0.02133%0.331CS..  trans-67.1148.7174.2-97.5-34.5000112.1Y93 F110 S112 A160 H192D91-Y93 VanDerWaalsContact C-N 3.29Å; D91-F110 HydrophobicContact CB-CD2 4.17Å; D91-F110 PolarHBondContact N-O 3.17Å; D91-F110 WeakPolarHBondContact OD2-CD2 3.44Å; D91-F110 WeakPolarHBondContact OD2-CE2 3.46Å; D91-S112 WeakPolarHBondContact O-CB 3.49Å; D91-S112 PolarHBondContact O-OG 2.89Å; D91-A160 WeakPolarHBondContact OD1-CA 3.31Å; D91-A160 WeakPolarHBondContact OD1-CB 3.25Å; D91-A160 PolarHBondContact OD1-N 3.46Å; D91-H192 IonicContact OD2-CD2 3.8Å; D91-H192 IonicContact OD2-NE2 2.83Å
92W88.8Confident83.2Confident25 Ų2569.1 Ų69.110%0.09536%0.355CS..SBendtrans-78.1-13.4179.2-68.1117.3000114.5N4 R8 N88 L103N4-W92 WeakPolarHBondContact ND2-CH2 3.29Å; R8-W92 HydrophobicContact CG-CD2 4.35Å; R8-W92 HydrophobicContact CG-CE3 3.92Å; R8-W92 HydrophobicContact CG-CZ3 4.43Å; R8-W92 VanDerWaalsContact CZ-CD1 3.47Å; N88-W92 HydrophobicContact CB-CZ2 4.08Å; N88-W92 WeakPolarHBondContact ND2-CZ2 3.47Å; N88-W92 PolarHBondContact ND2-NE1 3.37Å; N88-W92 VanDerWaalsContact ND2-NE1 3.15Å; N88-W92 VanDerWaalsContact OD1-CZ2 3.23Å; N88-W92 WeakPolarHBondContact OD1-CZ2 3.33Å; W92-L103 VanDerWaalsContact O-CD1 3.32Å; W92-L103 WeakPolarHBondContact O-CD1 3.32Å
93Y92.9Very high83.6Confident1 Ų162.1 Ų62.10%0.00432%0.321CS..SBendtrans-126.4147.2-171.4-57.4-70.2000109.6P12 D91 F95 A100 L158 V196P12-Y93 HydrophobicContact CB-CD1 4.42Å; P12-Y93 HydrophobicContact CB-CE1 3.87Å; P12-Y93 HydrophobicContact CG-CD1 4.19Å; P12-Y93 HydrophobicContact CG-CE1 4.05Å; D91-Y93 VanDerWaalsContact C-N 3.29Å; Y93-F95 PolarHBondContact O-N 3.3Å; Y93-A100 HydrophobicContact CD1-CB 3.95Å; Y93-A100 HydrophobicContact CE1-CB 3.92Å; Y93-L158 WeakPolarHBondContact CD2-O 3.45Å; Y93-L158 HydrophobicContact CE2-CB 4.32Å; Y93-L158 HydrophobicContact CE2-CD2 4.25Å; Y93-L158 WeakPolarHBondContact CE2-O 3.37Å; Y93-L158 VanDerWaalsContact OH-CD2 3.3Å; Y93-L158 WeakPolarHBondContact OH-CD2 3.27Å; Y93-V196 HydrophobicContact CD2-CB 4.38Å; Y93-V196 HydrophobicContact CD2-CG1 3.46Å; Y93-V196 VanDerWaalsContact CD2-CG1 3.46Å; Y93-V196 HydrophobicContact CD2-CG2 3.92Å; Y93-V196 HydrophobicContact CE2-CG1 3.53Å; Y93-V196 HydrophobicContact CG-CG1 4.23Å; Y93-V196 HydrophobicContact CG-CG2 4.11Å
94C94.6Very high84.4Confident0 Ų058.3 Ų58.30%030%0.303CS..BIsolated β-bridgetrans-60.4130177.7173.10000110.5N96 C97 H98 Q99 L103 S112 H114 C117 H192C94-N96 PolarHBondContact O-N 2.92Å; C94-N96 PolarHBondContact SG-N 3.29Å; C94-N96 VanDerWaalsContact SG-N 3.42Å; C94-C97 VanDerWaalsContact CB-SG 3.53Å; C94-H98 WeakPolarHBondContact O-CA 3.32Å; C94-H98 PolarHBondContact O-N 3.33Å; C94-Q99 PolarHBondContact N-O 3.49Å; C94-L103 HydrophobicContact CB-CD2 3.75Å; C94-S112 CarbonylContact C-O 3.6Å; C94-S112 VanDerWaalsContact CA-O 3.26Å; C94-S112 WeakPolarHBondContact CA-O 3.28Å; C94-H114 VanDerWaalsContact CB-CE1 3.46Å; C94-H114 WeakPolarHBondContact CB-CE1 3.16Å; C94-H114 VanDerWaalsContact CB-ND1 3.26Å; C94-H114 WeakPolarHBondContact CB-ND1 3.42Å; C94-C117 VanDerWaalsContact SG-CB 3.53Å; C94-H192 PolarHBondContact O-CE1 3.43Å; C94-H192 VanDerWaalsContact O-CE1 3.3Å
95F94.7Very high85.4Confident21 Ų2162.5 Ų62.59%0.09232%0.317CS..THydrogen-bonded Turntrans-61.3-30-177.8-164.7-99.5000112.7Y93 H98 F110 R111 S112 F113 E188 H192Y93-F95 PolarHBondContact O-N 3.3Å; F95-H98 PolarHBondContact O-CE1 3.48Å; F95-F110 HydrophobicContact CD2-CE2 4.27Å; F95-F110 HydrophobicContact CE2-CE2 4.13Å; F95-F110 HydrophobicContact CE2-CZ 4.29Å; F95-R111 HydrophobicContact CB-CB 4.08Å; F95-R111 HydrophobicContact CB-CG 4.36Å; F95-R111 HydrophobicContact CD1-CG 4.36Å; F95-R111 HydrophobicContact CD2-CB 4.23Å; F95-R111 HydrophobicContact CD2-CG 3.65Å; F95-R111 HydrophobicContact CE2-CG 4.01Å; F95-R111 HydrophobicContact CG-CB 4.13Å; F95-R111 HydrophobicContact CG-CG 3.84Å; F95-R111 VanDerWaalsContact CZ-NH2 3.33Å; F95-S112 PolarHBondContact N-O 2.98Å; F95-F113 HydrophobicContact CB-CD1 4.37Å; F95-F113 HydrophobicContact CB-CE1 3.75Å; F95-F113 HydrophobicContact CB-CE2 4.23Å; F95-F113 HydrophobicContact CB-CZ 3.67Å; F95-F113 HydrophobicContact CD1-CE1 4.44Å; F95-F113 HydrophobicContact CD1-CZ 4.24Å; F95-F113 HydrophobicContact CG-CZ 4.27Å; F95-E188 HydrophobicContact CE1-CB 4.22Å; F95-E188 HydrophobicContact CZ-CB 3.97Å; F95-H192 WeakPolarHBondContact CA-ND1 3.26Å; F95-H192 HydrophobicContact CD2-CB 4.11Å; F95-H192 AromaticContact CD2-CG 3.73Å; F95-H192 AromaticContact CD2-ND1 3.7Å; F95-H192 HydrophobicContact CE2-CB 3.72Å; F95-H192 AromaticContact CE2-CG 3.83Å; F95-H192 HydrophobicContact CZ-CB 4.21Å; F95-H192 PolarHBondContact O-ND1 3.48Å
96N93.6Very high86.5Confident98 Ų9856.8 Ų56.852%0.52429%0.291SS..THydrogen-bonded Turntrans-87.2-51-177.6-175.761.6000114C94 H98 F113 C117C94-N96 PolarHBondContact O-N 2.92Å; C94-N96 PolarHBondContact SG-N 3.29Å; C94-N96 VanDerWaalsContact SG-N 3.42Å; N96-H98 PolarHBondContact O-NE2 3.31Å; N96-F113 HydrophobicContact CB-CD1 4.38Å; N96-F113 HydrophobicContact CB-CE1 4.47Å; N96-C117 HydrophobicContact CB-CB 4.11Å
97C94.8Very high88Confident41 Ų4151.7 Ų51.728%0.27727%0.273SS..THydrogen-bonded Turntrans-99.8-7.2-176.176.90000113.8C94 Q99 H114C94-C97 VanDerWaalsContact CB-SG 3.53Å; C97-Q99 PolarHBondContact O-N 3.41Å; C97-Q99 VanDerWaalsContact O-N 3.14Å; C97-Q99 PolarHBondContact O-NE2 3.38Å; C97-Q99 PolarHBondContact SG-N 2.85Å; C97-H114 PolarHBondContact SG-CE1 2.91Å; C97-H114 PolarHBondContact SG-ND1 2.87Å
98H94.5Very high89.3Confident28 Ų2850.5 Ų50.513%0.1327%0.266CS..  trans61.817179.7-41.5-68.4000114.3P12 C94 F95 N96 H192 N195 V196P12-H98 WeakPolarHBondContact CG-O 3.43Å; C94-H98 WeakPolarHBondContact O-CA 3.32Å; C94-H98 PolarHBondContact O-N 3.33Å; F95-H98 PolarHBondContact O-CE1 3.48Å; N96-H98 PolarHBondContact O-NE2 3.31Å; H98-H192 AromaticContact CE1-ND1 3.49Å; H98-H192 PolarHBondContact CE1-ND1 2.91Å; H98-H192 AromaticContact ND1-CE1 3.6Å; H98-H192 AromaticContact ND1-CG 3.68Å; H98-H192 AromaticContact ND1-ND1 2.9Å; H98-H192 PolarHBondContact ND1-ND1 2.92Å; H98-N195 HydrophobicContact CB-CB 3.82Å; H98-N195 VanDerWaalsContact CD2-CB 3.41Å; H98-N195 WeakPolarHBondContact CD2-CB 3.44Å; H98-N195 VanDerWaalsContact CD2-CG 3.43Å; H98-V196 HydrophobicContact CB-CG2 4.13Å
99Q94.5Very high90.4Very high71 Ų7148.7 Ų48.733%0.33226%0.257SS..  trans-102.7157.6178.4-57.5-51.4-52.800112.5C94 C97 H114C94-Q99 PolarHBondContact N-O 3.49Å; C97-Q99 PolarHBondContact O-N 3.41Å; C97-Q99 VanDerWaalsContact O-N 3.14Å; C97-Q99 PolarHBondContact O-NE2 3.38Å; C97-Q99 PolarHBondContact SG-N 2.85Å; Q99-H114 PolarHBondContact O-CE1 3.41Å
100A93Very high91.1Very high12 Ų1241 Ų4110%0.09922%0.221CC..  trans-77.5176.7172.900000111.5R8 I10 Y93 H114R8-A100 WeakPolarHBondContact O-CB 3.28Å; I10-A100 WeakPolarHBondContact O-CB 3.29Å; Y93-A100 HydrophobicContact CD1-CB 3.95Å; Y93-A100 HydrophobicContact CE1-CB 3.92Å; A100-H114 PolarHBondContact O-CE1 2.92Å; A100-H114 PolarHBondContact O-NE2 2.89Å
101G90.8Very high91.3Very high18 Ų1840.3 Ų40.319%0.18622%0.217CC..SBendtrans133.8-160.5177.400000112.7V7 R8 L103V7-G101 WeakPolarHBondContact CG1-O 3.38Å; R8-G101 PolarHBondContact O-N 3.37Å; G101-L103 WeakPolarHBondContact O-CG 3.32Å; G101-L103 PolarHBondContact O-N 3.05Å
102D91.1Very high91.6Very high113 Ų11340.1 Ų40.160%0.60422%0.216SC*.SBendtrans-75.1108.8176-172.322.8000110.5H114D102-H114 PolarHBondContact O-CD2 2.97Å
103L91.3Very high91.8Very high28 Ų2839.5 Ų39.515%0.14721%0.214CC..  trans-116.9132.9-171.4-59.4180000111.7W92 C94 G101 F113 H114W92-L103 VanDerWaalsContact O-CD1 3.32Å; W92-L103 WeakPolarHBondContact O-CD1 3.32Å; C94-L103 HydrophobicContact CB-CD2 3.75Å; G101-L103 WeakPolarHBondContact O-CG 3.32Å; G101-L103 PolarHBondContact O-N 3.05Å; L103-F113 CarbonylContact C-O 3.57Å; L103-F113 WeakPolarHBondContact CA-O 3.35Å; L103-H114 VanDerWaalsContact CD2-CD2 3.41Å; L103-H114 WeakPolarHBondContact CD2-CD2 3.47Å; L103-H114 WeakPolarHBondContact CD2-NE2 3.3Å
104Q90.2Very high91.8Very high82 Ų8241.1 Ų41.138%0.38322%0.222SC..EExtended strand (participates in β ladder)trans-81.3123.9165.1-60.7-61.4-46.200109.1S112 F113 L129Q104-S112 CarbonylContact O-C 3.53Å; Q104-S112 WeakPolarHBondContact O-CA 3.35Å; Q104-F113 PolarHBondContact N-O 3.31Å; Q104-F113 PolarHBondContact O-N 3.48Å; Q104-L129 HydrophobicContact CB-CB 4.41Å; Q104-L129 HydrophobicContact CB-CD2 3.63Å; Q104-L129 WeakPolarHBondContact O-CD2 3.22Å
105K90.2Very high91.6Very high110 Ų11045.4 Ų45.448%0.47825%0.248SC..EExtended strand (participates in β ladder)trans-90.9134-178.2-66.1178.2179.9-174.30110.4N90N90-K105 HydrophobicContact CB-CB 4.29Å; N90-K105 HydrophobicContact CB-CD 4Å; N90-K105 HydrophobicContact CB-CG 3.99Å
106C90.6Very high91.5Very high4 Ų452 Ų523%0.02728%0.284CS..BIsolated β-bridgetrans-69138.4172.2-172.50000110.9N90 T108 C109 R111 L129 C131N90-C106 PolarHBondContact ND2-O 3.26Å; C106-T108 PolarHBondContact SG-OG1 3.06Å; C106-C109 VanDerWaalsContact SG-SG 3.6Å; C106-R111 WeakPolarHBondContact CB-O 3.48Å; C106-R111 PolarHBondContact N-O 3.26Å; C106-L129 CarbonylContact C-O 3.58Å; C106-L129 VanDerWaalsContact CA-O 3.26Å; C106-L129 WeakPolarHBondContact CA-O 3.32Å; C106-C131 HydrophobicContact CB-CB 4Å; C106-C131 PolarHBondContact SG-N 3.43Å
107T88.6Confident91.5Very high82 Ų8248.6 Ų48.650%0.50327%0.268SS..SBendtrans-79.2-14.7179.352.20000115D128 L129T107-D128 HydrophobicContact CG2-CB 3.6Å; T107-L129 PolarHBondContact N-O 3.46Å; T107-L129 PolarHBondContact OG1-O 2.91Å
108T86.3Confident91.4Very high84 Ų8448 Ų4852%0.51526%0.261SS..SBendtrans-119.9-6.7-174.156.10000113.9C106 L130 C134C106-T108 PolarHBondContact SG-OG1 3.06Å; T108-L130 HydrophobicContact CG2-CD1 3.72Å; T108-L130 WeakPolarHBondContact OG1-CD1 3.21Å; T108-C134 VanDerWaalsContact OG1-CB 3.26Å; T108-C134 WeakPolarHBondContact OG1-CB 3.44Å; T108-C134 PolarHBondContact OG1-SG 2.93Å
109C88.8Confident91.1Very high16 Ų1649.6 Ų49.611%0.10827%0.274CS..SBendtrans-150176175.376.30000109.8N90 C106 R111 C134N90-C109 PolarHBondContact ND2-O 2.83Å; C106-C109 VanDerWaalsContact SG-SG 3.6Å; C109-R111 VanDerWaalsContact C-N 3.3Å; C109-R111 PolarHBondContact O-N 2.86Å; C109-R111 PolarHBondContact SG-N 3.25Å; C109-R111 VanDerWaalsContact SG-N 3.43Å; C109-C134 VanDerWaalsContact CB-SG 3.59Å; C109-C134 PolarHBondContact SG-SG 3.01Å
110F89.2Confident90.5Very high2 Ų251.6 Ų51.61%0.00930%0.304CS..SBendtrans-76.7-12.6-177.468.8-95.1000115.8E89 N90 D91 F95 S112 L140 H161 I189E89-F110 WeakPolarHBondContact O-CA 2.99Å; E89-F110 WeakPolarHBondContact O-CB 3.08Å; N90-F110 CarbonylContact C-O 3.52Å; N90-F110 WeakPolarHBondContact CA-O 3.19Å; N90-F110 WeakPolarHBondContact CB-O 3.36Å; D91-F110 HydrophobicContact CB-CD2 4.17Å; D91-F110 PolarHBondContact N-O 3.17Å; D91-F110 WeakPolarHBondContact OD2-CD2 3.44Å; D91-F110 WeakPolarHBondContact OD2-CE2 3.46Å; F95-F110 HydrophobicContact CD2-CE2 4.27Å; F95-F110 HydrophobicContact CE2-CE2 4.13Å; F95-F110 HydrophobicContact CE2-CZ 4.29Å; F110-S112 PolarHBondContact O-N 3.47Å; F110-L140 HydrophobicContact CD1-CD2 3.36Å; F110-L140 HydrophobicContact CE1-CD1 4.01Å; F110-L140 HydrophobicContact CE1-CD2 3.57Å; F110-L140 HydrophobicContact CE1-CG 4.45Å; F110-H161 WeakPolarHBondContact CB-CE1 3.34Å; F110-H161 WeakPolarHBondContact CB-ND1 3.47Å; F110-H161 WeakPolarHBondContact CB-NE2 3.45Å; F110-H161 HydrophobicContact CD1-CB 3.91Å; F110-H161 AromaticContact CD1-CD2 3.41Å; F110-H161 VanDerWaalsContact CD1-CD2 3.41Å; F110-H161 WeakPolarHBondContact CD1-CD2 3.43Å; F110-H161 AromaticContact CD1-CG 3.37Å; F110-H161 AromaticContact CD1-ND1 3.81Å; F110-H161 AromaticContact CD1-NE2 3.88Å; F110-H161 HydrophobicContact CD2-CB 3.97Å; F110-H161 AromaticContact CD2-CG 3.7Å; F110-H161 AromaticContact CD2-ND1 3.56Å; F110-H161 HydrophobicContact CE1-CB 3.91Å; F110-H161 AromaticContact CE1-CG 3.91Å; F110-H161 HydrophobicContact CE2-CB 3.94Å; F110-H161 HydrophobicContact CG-CB 3.96Å; F110-H161 AromaticContact CG-CD2 3.66Å; F110-H161 AromaticContact CG-CE1 3.6Å; F110-H161 AromaticContact CG-CG 3.28Å; F110-H161 AromaticContact CG-ND1 3.21Å; F110-H161 WeakPolarHBondContact CG-ND1 3.32Å; F110-H161 AromaticContact CG-NE2 3.83Å; F110-H161 HydrophobicContact CZ-CB 3.92Å; F110-I189 HydrophobicContact CE1-CD1 3.61Å; F110-I189 HydrophobicContact CE1-CG1 4.3Å; F110-I189 HydrophobicContact CZ-CB 4.45Å; F110-I189 HydrophobicContact CZ-CD1 3.52Å; F110-I189 HydrophobicContact CZ-CG1 3.72Å; F110-I189 HydrophobicContact CZ-CG2 3.97Å
111R92.4Very high90.1Very high6 Ų657.9 Ų57.92%0.02334%0.335CS..  trans-65.3136.3-171.2-59.1-180177-157-6.1110.4F95 C106 C109 F113 S133 S185 E188F95-R111 HydrophobicContact CB-CB 4.08Å; F95-R111 HydrophobicContact CB-CG 4.36Å; F95-R111 HydrophobicContact CD1-CG 4.36Å; F95-R111 HydrophobicContact CD2-CB 4.23Å; F95-R111 HydrophobicContact CD2-CG 3.65Å; F95-R111 HydrophobicContact CE2-CG 4.01Å; F95-R111 HydrophobicContact CG-CB 4.13Å; F95-R111 HydrophobicContact CG-CG 3.84Å; F95-R111 VanDerWaalsContact CZ-NH2 3.33Å; C106-R111 WeakPolarHBondContact CB-O 3.48Å; C106-R111 PolarHBondContact N-O 3.26Å; C109-R111 VanDerWaalsContact C-N 3.3Å; C109-R111 PolarHBondContact O-N 2.86Å; C109-R111 PolarHBondContact SG-N 3.25Å; C109-R111 VanDerWaalsContact SG-N 3.43Å; R111-F113 HydrophobicContact CB-CE2 3.53Å; R111-F113 HydrophobicContact CB-CZ 3.97Å; R111-S133 PolarHBondContact NH1-OG 2.96Å; R111-S185 PolarHBondContact NH2-O 2.87Å; R111-S185 PolarHBondContact NH2-OG 3.23Å; R111-E188 IonicContact CZ-OE2 3.49Å; R111-E188 IonicContact NH1-OE2 3.01Å; R111-E188 PolarHBondContact NH1-OE2 3.42Å; R111-E188 IonicContact NH2-OE2 2.94Å; R111-E188 PolarHBondContact NH2-OE2 3.42Å
112S92.4Very high89.7Confident1 Ų158.8 Ų58.81%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-118.6148.3176-62.90000109.9D91 C94 F95 Q104 F110D91-S112 WeakPolarHBondContact O-CB 3.49Å; D91-S112 PolarHBondContact O-OG 2.89Å; C94-S112 CarbonylContact C-O 3.6Å; C94-S112 VanDerWaalsContact CA-O 3.26Å; C94-S112 WeakPolarHBondContact CA-O 3.28Å; F95-S112 PolarHBondContact N-O 2.98Å; Q104-S112 CarbonylContact O-C 3.53Å; Q104-S112 WeakPolarHBondContact O-CA 3.35Å; F110-S112 PolarHBondContact O-N 3.47Å
113F93.5Very high89.1Confident12 Ų1257.5 Ų57.55%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-140.4141.8-176.3-62.8-97.3000112.2F95 N96 L103 Q104 R111 L118 L129 C131F95-F113 HydrophobicContact CB-CD1 4.37Å; F95-F113 HydrophobicContact CB-CE1 3.75Å; F95-F113 HydrophobicContact CB-CE2 4.23Å; F95-F113 HydrophobicContact CB-CZ 3.67Å; F95-F113 HydrophobicContact CD1-CE1 4.44Å; F95-F113 HydrophobicContact CD1-CZ 4.24Å; F95-F113 HydrophobicContact CG-CZ 4.27Å; N96-F113 HydrophobicContact CB-CD1 4.38Å; N96-F113 HydrophobicContact CB-CE1 4.47Å; L103-F113 CarbonylContact C-O 3.57Å; L103-F113 WeakPolarHBondContact CA-O 3.35Å; Q104-F113 PolarHBondContact N-O 3.31Å; Q104-F113 PolarHBondContact O-N 3.48Å; R111-F113 HydrophobicContact CB-CE2 3.53Å; R111-F113 HydrophobicContact CB-CZ 3.97Å; F113-L118 HydrophobicContact CB-CD2 3.85Å; F113-L118 HydrophobicContact CB-CG 4.04Å; F113-L118 HydrophobicContact CD1-CD2 4.12Å; F113-L118 HydrophobicContact CD2-CD2 4.32Å; F113-L118 HydrophobicContact CG-CD2 3.84Å; F113-L129 HydrophobicContact CD2-CD2 4.04Å; F113-C131 HydrophobicContact CD2-CB 4.23Å; F113-C131 HydrophobicContact CE2-CB 3.43Å; F113-C131 VanDerWaalsContact CE2-CB 3.43Å; F113-C131 HydrophobicContact CZ-CB 4.02Å
114H92.9Very high88.2Confident35 Ų3559.3 Ų59.316%0.16235%0.347CS..  trans-67.2147.7159.7-56.9106.6000109.2C94 C97 Q99 A100 D102 L103 N116 C117 L118C94-H114 VanDerWaalsContact CB-CE1 3.46Å; C94-H114 WeakPolarHBondContact CB-CE1 3.16Å; C94-H114 VanDerWaalsContact CB-ND1 3.26Å; C94-H114 WeakPolarHBondContact CB-ND1 3.42Å; C97-H114 PolarHBondContact SG-CE1 2.91Å; C97-H114 PolarHBondContact SG-ND1 2.87Å; Q99-H114 PolarHBondContact O-CE1 3.41Å; A100-H114 PolarHBondContact O-CE1 2.92Å; A100-H114 PolarHBondContact O-NE2 2.89Å; D102-H114 PolarHBondContact O-CD2 2.97Å; L103-H114 VanDerWaalsContact CD2-CD2 3.41Å; L103-H114 WeakPolarHBondContact CD2-CD2 3.47Å; L103-H114 WeakPolarHBondContact CD2-NE2 3.3Å; H114-N116 PolarHBondContact O-N 3.38Å; H114-C117 HydrophobicContact CB-CB 3.93Å; H114-C117 WeakPolarHBondContact O-CA 3.29Å; H114-C117 WeakPolarHBondContact O-CB 3.24Å; H114-C117 PolarHBondContact O-N 3.43Å; H114-L118 PolarHBondContact O-N 2.89Å
115T90.9Very high87.1Confident89 Ų8959.5 Ų59.555%0.54636%0.363SS..G310 helixtrans-52.4-40.4174.4-510000111.9C117T115-C117 VanDerWaalsContact C-N 3.3Å; T115-C117 PolarHBondContact O-N 3.02Å
116N91.6Very high86.3Confident159 Ų15956.8 Ų56.885%0.8537%0.367SS*.G310 helixtrans-81.1-6.6179.4-61-17.1000114.1H114H114-N116 PolarHBondContact O-N 3.38Å
117C94.4Very high85.6Confident27 Ų2765.6 Ų65.618%0.18241%0.41CS..G310 helixtrans-98.5-2176.6-76.30000112.6C94 N96 H114 T115C94-C117 VanDerWaalsContact SG-CB 3.53Å; N96-C117 HydrophobicContact CB-CB 4.11Å; H114-C117 HydrophobicContact CB-CB 3.93Å; H114-C117 WeakPolarHBondContact O-CA 3.29Å; H114-C117 WeakPolarHBondContact O-CB 3.24Å; H114-C117 PolarHBondContact O-N 3.43Å; T115-C117 VanDerWaalsContact C-N 3.3Å; T115-C117 PolarHBondContact O-N 3.02Å
118L91.7Very high85.4Confident28 Ų2867 Ų6715%0.14741%0.414CS..SBendtrans-77.7153.7168.4-68.1164.8000109.6F113 H114 F122 L129F113-L118 HydrophobicContact CB-CD2 3.85Å; F113-L118 HydrophobicContact CB-CG 4.04Å; F113-L118 HydrophobicContact CD1-CD2 4.12Å; F113-L118 HydrophobicContact CD2-CD2 4.32Å; F113-L118 HydrophobicContact CG-CD2 3.84Å; H114-L118 PolarHBondContact O-N 2.89Å; L118-F122 HydrophobicContact CB-CB 4.27Å; L118-F122 HydrophobicContact CB-CD1 4.13Å; L118-F122 HydrophobicContact CB-CG 4.29Å; L118-F122 HydrophobicContact CD1-CD1 3.86Å; L118-F122 HydrophobicContact CD1-CE1 3.99Å; L118-F122 HydrophobicContact CD2-CD1 4.15Å; L118-F122 HydrophobicContact CD2-CE1 4.16Å; L118-F122 HydrophobicContact CD2-CG 4.45Å; L118-F122 HydrophobicContact CD2-CZ 4.48Å; L118-F122 HydrophobicContact CG-CD1 4.27Å; L118-L129 HydrophobicContact CD1-CD1 4.09Å; L118-L129 HydrophobicContact CD2-CD1 4.14Å
119P88.2Confident85.4Confident62 Ų6263.6 Ų63.640%0.40339%0.392SS..  trans-53.7144.3173-23.432.3000111.9D121 F122 P132P119-D121 WeakPolarHBondContact CB-OD1 3.33Å; P119-D121 PolarHBondContact O-N 2.94Å; P119-F122 HydrophobicContact CB-CB 4.11Å; P119-F122 HydrophobicContact CG-CB 4.38Å; P119-F122 WeakPolarHBondContact O-CB 3.46Å; P119-F122 PolarHBondContact O-N 2.95Å; P119-P132 HydrophobicContact CG-CG 3.98Å
120A83.4Confident85.4Confident114 Ų11465 Ų6594%0.94240%0.399SS*.THydrogen-bonded Turntrans-62.9-28.2-174.800000113.5
121D82.7Confident85.5Confident144 Ų14464.9 Ų64.977%0.7740%0.398SS*.THydrogen-bonded Turntrans-93.1717754.8-29000113.2P119 S123P119-D121 WeakPolarHBondContact CB-OD1 3.33Å; P119-D121 PolarHBondContact O-N 2.94Å; D121-S123 PolarHBondContact O-N 2.91Å
122F82.4Confident85.3Confident36 Ų3666.4 Ų66.416%0.15841%0.409CS..  trans-69.4114.4-179.2-176.4-99.9000111.5L118 P119 P124 L129 L130 P132 Q135L118-F122 HydrophobicContact CB-CB 4.27Å; L118-F122 HydrophobicContact CB-CD1 4.13Å; L118-F122 HydrophobicContact CB-CG 4.29Å; L118-F122 HydrophobicContact CD1-CD1 3.86Å; L118-F122 HydrophobicContact CD1-CE1 3.99Å; L118-F122 HydrophobicContact CD2-CD1 4.15Å; L118-F122 HydrophobicContact CD2-CE1 4.16Å; L118-F122 HydrophobicContact CD2-CG 4.45Å; L118-F122 HydrophobicContact CD2-CZ 4.48Å; L118-F122 HydrophobicContact CG-CD1 4.27Å; P119-F122 HydrophobicContact CB-CB 4.11Å; P119-F122 HydrophobicContact CG-CB 4.38Å; P119-F122 WeakPolarHBondContact O-CB 3.46Å; P119-F122 PolarHBondContact O-N 2.95Å; F122-P124 HydrophobicContact CE1-CB 4.11Å; F122-L129 HydrophobicContact CE1-CD1 3.42Å; F122-L129 VanDerWaalsContact CE1-CD1 3.42Å; F122-L129 HydrophobicContact CZ-CD1 3.52Å; F122-L130 WeakPolarHBondContact CE2-O 3.45Å; F122-L130 WeakPolarHBondContact CZ-O 3.13Å; F122-P132 HydrophobicContact CD2-CG 4.04Å; F122-P132 HydrophobicContact CE2-CG 4.06Å; F122-Q135 VanDerWaalsContact CE2-OE1 3.31Å
123S79.6Confident85Confident86 Ų8667.2 Ų67.260%0.60141%0.414SS*.  trans-103.4110.6173.2-173.50000109.7D121 A125D121-S123 PolarHBondContact O-N 2.91Å; S123-A125 PolarHBondContact O-N 3.33Å
124P71.7Confident84.7Confident66 Ų6667.5 Ų67.543%0.42942%0.418SS..  trans-66.2134.2175.925-30.8000110.3F122 G126F122-P124 HydrophobicContact CE1-CB 4.11Å; P124-G126 PolarHBondContact O-N 2.63Å
125A68Low84.3Confident87 Ų8770.8 Ų70.872%0.71943%0.433SS*.SBendtrans-77.665.4174.800000110.7S123S123-A125 PolarHBondContact O-N 3.33Å
126G74.1Confident83.9Confident53 Ų5368.8 Ų68.855%0.54643%0.426SS..SBendtrans107.7-155-179.900000114.1P124 D128P124-G126 PolarHBondContact O-N 2.63Å; G126-D128 VanDerWaalsContact C-N 3.34Å
127M75.6Confident83.1Confident189 Ų18963.4 Ų63.493%0.93141%0.408SS*.SBendtrans-77.4-22.7-177.9-59.8-62.9-173.700113
128D83.5Confident82Confident112 Ų11262.4 Ų62.460%0.59940%0.402SS*.SBendtrans-99134.8-174.2-75.1-29.1000111.1T107 G126 L130T107-D128 HydrophobicContact CG2-CB 3.6Å; G126-D128 VanDerWaalsContact C-N 3.34Å; D128-L130 PolarHBondContact O-N 3.27Å
129L87.7Confident80.7Confident11 Ų1168.8 Ų68.86%0.05843%0.428CS..BIsolated β-bridgetrans-74.5118.1179.7176.568.7000111.3Q104 C106 T107 F113 L118 F122Q104-L129 HydrophobicContact CB-CB 4.41Å; Q104-L129 HydrophobicContact CB-CD2 3.63Å; Q104-L129 WeakPolarHBondContact O-CD2 3.22Å; C106-L129 CarbonylContact C-O 3.58Å; C106-L129 VanDerWaalsContact CA-O 3.26Å; C106-L129 WeakPolarHBondContact CA-O 3.32Å; T107-L129 PolarHBondContact N-O 3.46Å; T107-L129 PolarHBondContact OG1-O 2.91Å; F113-L129 HydrophobicContact CD2-CD2 4.04Å; L118-L129 HydrophobicContact CD1-CD1 4.09Å; L118-L129 HydrophobicContact CD2-CD1 4.14Å; F122-L129 HydrophobicContact CE1-CD1 3.42Å; F122-L129 VanDerWaalsContact CE1-CD1 3.42Å; F122-L129 HydrophobicContact CZ-CD1 3.52Å
130L88.2Confident79.1Confident45 Ų4568 Ų6824%0.23642%0.42CS..  trans-100.9108.1160.7-172.865.7000109.2T108 F122 D128 C134 Q135T108-L130 HydrophobicContact CG2-CD1 3.72Å; T108-L130 WeakPolarHBondContact OG1-CD1 3.21Å; F122-L130 WeakPolarHBondContact CE2-O 3.45Å; F122-L130 WeakPolarHBondContact CZ-O 3.13Å; D128-L130 PolarHBondContact O-N 3.27Å; L130-C134 HydrophobicContact CD1-CB 3.42Å; L130-C134 VanDerWaalsContact CD1-CB 3.42Å; L130-C134 HydrophobicContact CG-CB 3.98Å; L130-Q135 HydrophobicContact CD2-CB 3.99Å; L130-Q135 HydrophobicContact CD2-CG 4.45Å; L130-Q135 HydrophobicContact CG-CB 4.17Å
131C90.1Very high77.5Confident0 Ų067.1 Ų67.10%040%0.398CS..  trans-62.1159.6-173.380.50000112.9C106 F113 S133 C134 Q135C106-C131 HydrophobicContact CB-CB 4Å; C106-C131 PolarHBondContact SG-N 3.43Å; F113-C131 HydrophobicContact CD2-CB 4.23Å; F113-C131 HydrophobicContact CE2-CB 3.43Å; F113-C131 VanDerWaalsContact CE2-CB 3.43Å; F113-C131 HydrophobicContact CZ-CB 4.02Å; C131-S133 PolarHBondContact O-N 3.34Å; C131-S133 VanDerWaalsContact O-N 3.08Å; C131-C134 PolarHBondContact O-N 2.94Å; C131-C134 PolarHBondContact SG-N 3.41Å; C131-Q135 PolarHBondContact O-N 2.97Å
132P88Confident75.3Confident38 Ų3867 Ų6725%0.24740%0.402CS..Hα-helixtrans-52.9-35.1-178.5-28.535000114.4P119 F122 A136P119-P132 HydrophobicContact CG-CG 3.98Å; F122-P132 HydrophobicContact CD2-CG 4.04Å; F122-P132 HydrophobicContact CE2-CG 4.06Å; P132-A136 VanDerWaalsContact O-CB 3.29Å; P132-A136 WeakPolarHBondContact O-CB 3.31Å; P132-A136 PolarHBondContact O-N 3.4Å
133S86.9Confident73.5Confident18 Ų1868.1 Ų68.113%0.12641%0.41CS..Hα-helixtrans-71.4-40.1177.7-61.50000113R111 C131 G137 S138R111-S133 PolarHBondContact NH1-OG 2.96Å; C131-S133 PolarHBondContact O-N 3.34Å; C131-S133 VanDerWaalsContact O-N 3.08Å; S133-G137 PolarHBondContact O-N 3.04Å; S133-S138 VanDerWaalsContact O-CB 3.24Å; S133-S138 WeakPolarHBondContact O-CB 3.42Å; S133-S138 PolarHBondContact O-N 3Å
134C87Confident71.2Confident19 Ų1969.5 Ų69.513%0.12842%0.416CS..Hα-helixtrans-74.4-37.8177.1-660000112.3T108 C109 L130 C131 A136 G137T108-C134 VanDerWaalsContact OG1-CB 3.26Å; T108-C134 WeakPolarHBondContact OG1-CB 3.44Å; T108-C134 PolarHBondContact OG1-SG 2.93Å; C109-C134 VanDerWaalsContact CB-SG 3.59Å; C109-C134 PolarHBondContact SG-SG 3.01Å; L130-C134 HydrophobicContact CD1-CB 3.42Å; L130-C134 VanDerWaalsContact CD1-CB 3.42Å; L130-C134 HydrophobicContact CG-CB 3.98Å; C131-C134 PolarHBondContact O-N 2.94Å; C131-C134 PolarHBondContact SG-N 3.41Å; C134-A136 PolarHBondContact O-N 3.47Å; C134-G137 PolarHBondContact O-N 2.93Å
135Q85.3Confident69.4Low103 Ų10369.6 Ų69.648%0.48143%0.43SS..Hα-helixtrans-60.3-34.2174.3-176.1174.70.200111.3F122 L130 C131 G137F122-Q135 VanDerWaalsContact CE2-OE1 3.31Å; L130-Q135 HydrophobicContact CD2-CB 3.99Å; L130-Q135 HydrophobicContact CD2-CG 4.45Å; L130-Q135 HydrophobicContact CG-CB 4.17Å; C131-Q135 PolarHBondContact O-N 2.97Å; Q135-G137 VanDerWaalsContact C-N 3.29Å; Q135-G137 PolarHBondContact O-N 2.87Å
136A82.7Confident68Low48 Ų4868.4 Ų68.440%0.39742%0.415SS..THydrogen-bonded Turntrans-90.516.1176.300000114.2P132 C134P132-A136 VanDerWaalsContact O-CB 3.29Å; P132-A136 WeakPolarHBondContact O-CB 3.31Å; P132-A136 PolarHBondContact O-N 3.4Å; C134-A136 PolarHBondContact O-N 3.47Å
137G74.9Confident66.1Low46 Ų4672.8 Ų72.847%0.47443%0.425SS..THydrogen-bonded Turntrans87.78.9166.900000116.7S133 C134 Q135 K139S133-G137 PolarHBondContact O-N 3.04Å; C134-G137 PolarHBondContact O-N 2.93Å; Q135-G137 VanDerWaalsContact C-N 3.29Å; Q135-G137 PolarHBondContact O-N 2.87Å; G137-K139 PolarHBondContact O-N 3.45Å
138S71.5Confident64.1Low6 Ų668.1 Ų68.14%0.04241%0.411CS..  trans-73.4111170.9-168.90000109.4S133S133-S138 VanDerWaalsContact O-CB 3.24Å; S133-S138 WeakPolarHBondContact O-CB 3.42Å; S133-S138 PolarHBondContact O-N 3Å
139K63.7Low61.9Low162 Ų16266.6 Ų66.670%0.70441%0.41SS*.PPolyproline II helixtrans-89.9131.5169.8-70.4-178.1-178.1177.50109.2G137G137-K139 PolarHBondContact O-N 3.45Å
140L54.8Low59.8Low46 Ų4672.8 Ų72.824%0.24145%0.447CS..PPolyproline II helixtrans-83.7128.2169.3-163.681.1000108.7F110 I189F110-L140 HydrophobicContact CD1-CD2 3.36Å; F110-L140 HydrophobicContact CE1-CD1 4.01Å; F110-L140 HydrophobicContact CE1-CD2 3.57Å; F110-L140 HydrophobicContact CE1-CG 4.45Å; L140-I189 HydrophobicContact CD1-CD1 3.97Å
141M48.4Very low58.6Low94 Ų9476.3 Ų76.346%0.46347%0.467SS..PPolyproline II helixtrans-81.5126.1168.3-66.6-66.3-76.600108.5I143M141-I143 VanDerWaalsContact O-CG1 3.3Å; M141-I143 WeakPolarHBondContact O-CG1 3.28Å; M141-I143 PolarHBondContact O-N 3.17Å
142T38.2Very low57.7Low141 Ų14177.6 Ų77.687%0.86547%0.473SS*.PPolyproline II helixtrans-60.2129.7176.4-53.10000110.6
143I42.9Very low57.4Low61 Ų6176.7 Ų76.731%0.31347%0.466SS..  trans-113.1129.9-174.2-49-179.9000110M141 M163M141-I143 VanDerWaalsContact O-CG1 3.3Å; M141-I143 WeakPolarHBondContact O-CG1 3.28Å; M141-I143 PolarHBondContact O-N 3.17Å; I143-M163 HydrophobicContact CD1-CE 3.39Å
144P31.4Very low57.1Low114 Ų11477.7 Ų77.774%0.7447%0.469SS*.PPolyproline II helixtrans-69.5140.8168.9-16.931.2000112.3
145G34.5Very low57Low69 Ų6979.9 Ų79.971%0.71148%0.475SS*.PPolyproline II helixtrans-67.1148-178.500000113.8
146P39.7Very low57Low62 Ų6279.8 Ų79.840%0.40347%0.47SS..PPolyproline II helixtrans-89.1172.6179.740.9-41.8000113.5
147D32.8Very low57.2Low145 Ų14578.2 Ų78.278%0.77546%0.455SS*.PPolyproline II helixtrans-92.6139.9-174.8-169.17.2000113.5
148S33.9Very low57.7Low90 Ų9076.2 Ų76.263%0.62943%0.433SS*.  trans12.7118.9167.352.90000122.3E152S148-E152 WeakPolarHBondContact CA-OE2 3.5Å; S148-E152 PolarHBondContact N-OE2 2.86Å
149S38.4Very low58.4Low81 Ų8176.1 Ų76.157%0.56643%0.432SS*.  -158.6158.4127.967.80000112.7N151 E152S149-N151 PolarHBondContact O-N 2.98Å; S149-E152 PolarHBondContact N-OE2 3.25Å; S149-E152 WeakPolarHBondContact O-CB 3.36Å; S149-E152 PolarHBondContact O-N 3.35Å
150V43.2Very low59.3Low141 Ų14168.9 Ų68.986%0.85540%0.403SS*.THydrogen-bonded Turntrans-62.1-17.3-166.6-173.90000115.4
151N63.4Low60.7Low119 Ų11968.7 Ų68.764%0.63640%0.401SS*.THydrogen-bonded Turntrans-87.1-9.6171.8-84.2-24.6000113.8S149 V153 Y155S149-N151 PolarHBondContact O-N 2.98Å; N151-V153 VanDerWaalsContact C-N 3.33Å; N151-V153 PolarHBondContact O-N 2.95Å; N151-Y155 PolarHBondContact O-N 3.44Å
152E70.4Confident62.5Low27 Ų2765.5 Ų65.513%0.12639%0.387CS..Hα-helixtrans-67.2-32.5-177.3-167.1-168.4159.300112.3S148 S149 Q154 Y155 R156S148-E152 WeakPolarHBondContact CA-OE2 3.5Å; S148-E152 PolarHBondContact N-OE2 2.86Å; S149-E152 PolarHBondContact N-OE2 3.25Å; S149-E152 WeakPolarHBondContact O-CB 3.36Å; S149-E152 PolarHBondContact O-N 3.35Å; E152-Q154 PolarHBondContact O-N 2.98Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 2.8Å; E152-R156 HydrophobicContact CG-CG 4.21Å; E152-R156 WeakPolarHBondContact O-CB 3.34Å; E152-R156 WeakPolarHBondContact O-CG 3.44Å; E152-R156 PolarHBondContact O-N 3.11Å; E152-R156 IonicContact OE1-CZ 2.63Å; E152-R156 IonicContact OE1-NE 3.41Å; E152-R156 PolarHBondContact OE1-NE 3.39Å; E152-R156 IonicContact OE1-NH1 2.6Å; E152-R156 PolarHBondContact OE1-NH1 3.35Å; E152-R156 IonicContact OE1-NH2 2.74Å
153V81.4Confident64.8Low19 Ų1959.2 Ų59.212%0.11535%0.348CS..Hα-helixtrans-61.1-46.7-179.5-179.20000110.7P81 M82 A84 N151 Y155 R156 L157P81-V153 VanDerWaalsContact O-CG1 3.31Å; P81-V153 WeakPolarHBondContact O-CG1 2.93Å; M82-V153 VanDerWaalsContact O-CG2 3.23Å; M82-V153 WeakPolarHBondContact O-CG2 3.33Å; A84-V153 HydrophobicContact CB-CG1 4.48Å; N151-V153 VanDerWaalsContact C-N 3.33Å; N151-V153 PolarHBondContact O-N 2.95Å; V153-Y155 VanDerWaalsContact C-N 3.33Å; V153-Y155 PolarHBondContact O-N 3.08Å; V153-R156 PolarHBondContact O-N 2.95Å; V153-L157 HydrophobicContact CG1-CD1 4.1Å; V153-L157 HydrophobicContact CG1-CG 4.38Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 VanDerWaalsContact O-CG 3.23Å; V153-L157 WeakPolarHBondContact O-CG 3.33Å; V153-L157 PolarHBondContact O-N 2.95Å
154Q81.6Confident66.7Low39 Ų3959.5 Ų59.518%0.18235%0.35CS..Hα-helixtrans-65.4-39.3178.8-72.4-177.415.900112.1W19 K23 I80 E152 L157 L158W19-Q154 HydrophobicContact CE3-CB 4.13Å; W19-Q154 HydrophobicContact CE3-CG 3.97Å; W19-Q154 HydrophobicContact CH2-CB 3.92Å; W19-Q154 HydrophobicContact CH2-CG 4.09Å; W19-Q154 WeakPolarHBondContact CH2-O 3.48Å; W19-Q154 HydrophobicContact CZ3-CB 3.49Å; W19-Q154 VanDerWaalsContact CZ3-CB 3.49Å; W19-Q154 HydrophobicContact CZ3-CG 3.75Å; K23-Q154 VanDerWaalsContact NZ-NE2 3.14Å; I80-Q154 HydrophobicContact CG2-CG 4.12Å; E152-Q154 PolarHBondContact O-N 2.98Å; Q154-L157 PolarHBondContact O-N 2.77Å; Q154-L158 PolarHBondContact O-N 3.17Å
155Y83.9Confident69.2Low64 Ų6459.5 Ų59.525%0.25134%0.344SS..Hα-helixtrans-60.1-50.1173-176.8-95.2000110.9N151 E152 V153 L157 L158 V159 P162 N193 V197N151-Y155 PolarHBondContact O-N 3.44Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 2.8Å; V153-Y155 VanDerWaalsContact C-N 3.33Å; V153-Y155 PolarHBondContact O-N 3.08Å; Y155-L157 VanDerWaalsContact C-N 3.32Å; Y155-L157 PolarHBondContact O-N 2.99Å; Y155-L158 PolarHBondContact O-N 3.33Å; Y155-L158 VanDerWaalsContact O-N 3.15Å; Y155-V159 HydrophobicContact CD1-CB 4.32Å; Y155-V159 HydrophobicContact CD2-CG2 4.32Å; Y155-V159 HydrophobicContact CE1-CB 3.98Å; Y155-V159 HydrophobicContact CE1-CG1 3.87Å; Y155-V159 HydrophobicContact CE1-CG2 4.41Å; Y155-V159 HydrophobicContact CE2-CB 4.42Å; Y155-V159 HydrophobicContact CE2-CG2 3.96Å; Y155-V159 WeakPolarHBondContact O-CB 3.44Å; Y155-V159 PolarHBondContact O-N 2.87Å; Y155-P162 HydrophobicContact CE1-CB 3.77Å; Y155-P162 HydrophobicContact CE1-CG 3.92Å; Y155-N193 PolarHBondContact OH-ND2 2.93Å; Y155-N193 VanDerWaalsContact OH-ND2 3.12Å; Y155-V197 HydrophobicContact CD2-CG2 3.7Å; Y155-V197 HydrophobicContact CE2-CG2 3.87Å
156R84.8Confident71.4Confident102 Ų10258 Ų5839%0.38533%0.328SS..Hα-helixtrans-66.4-26.5179.1-70.2-168.4-64.4-164.110.3114.5A84 E152 V153 L158A84-R156 HydrophobicContact CB-CB 3.75Å; E152-R156 HydrophobicContact CG-CG 4.21Å; E152-R156 WeakPolarHBondContact O-CB 3.34Å; E152-R156 WeakPolarHBondContact O-CG 3.44Å; E152-R156 PolarHBondContact O-N 3.11Å; E152-R156 IonicContact OE1-CZ 2.63Å; E152-R156 IonicContact OE1-NE 3.41Å; E152-R156 PolarHBondContact OE1-NE 3.39Å; E152-R156 IonicContact OE1-NH1 2.6Å; E152-R156 PolarHBondContact OE1-NH1 3.35Å; E152-R156 IonicContact OE1-NH2 2.74Å; V153-R156 PolarHBondContact O-N 2.95Å; R156-L158 VanDerWaalsContact C-N 3.3Å
157L86.9Confident73.5Confident14 Ų1456.7 Ų56.77%0.07332%0.315CS..Hα-helixtrans-69.8-28.6174.4-76.1171.6000112.5R8 W19 L64 P81 A84 V153 Q154 Y155R8-L157 PolarHBondContact NH1-O 2.87Å; R8-L157 PolarHBondContact NH2-O 3.35Å; W19-L157 HydrophobicContact CH2-CB 3.81Å; W19-L157 HydrophobicContact CH2-CD1 4.06Å; W19-L157 HydrophobicContact CZ2-CB 4.01Å; W19-L157 HydrophobicContact CZ2-CD1 3.7Å; L64-L157 HydrophobicContact CD2-CB 4.12Å; P81-L157 HydrophobicContact CB-CD1 4.03Å; P81-L157 HydrophobicContact CB-CD2 4.49Å; P81-L157 HydrophobicContact CG-CD1 3.8Å; P81-L157 HydrophobicContact CG-CD2 4.29Å; A84-L157 HydrophobicContact CB-CD2 4.24Å; A84-L157 HydrophobicContact CB-CG 4.33Å; V153-L157 HydrophobicContact CG1-CD1 4.1Å; V153-L157 HydrophobicContact CG1-CG 4.38Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 VanDerWaalsContact O-CG 3.23Å; V153-L157 WeakPolarHBondContact O-CG 3.33Å; V153-L157 PolarHBondContact O-N 2.95Å; Q154-L157 PolarHBondContact O-N 2.77Å; Y155-L157 VanDerWaalsContact C-N 3.32Å; Y155-L157 PolarHBondContact O-N 2.99Å
158L86.2Confident76Confident4 Ų450.1 Ų50.12%0.02128%0.28CS..Hα-helixtrans-95.9-43.3178.4-64.6178000112.3V15 R16 W19 Y93 Q154 Y155 R156 V196V15-L158 HydrophobicContact CB-CD2 4.27Å; V15-L158 HydrophobicContact CG1-CD2 3.94Å; R16-L158 HydrophobicContact CG-CD1 4.36Å; W19-L158 HydrophobicContact CH2-CD1 4.21Å; W19-L158 HydrophobicContact CH2-CD2 4.19Å; W19-L158 HydrophobicContact CH2-CG 3.84Å; W19-L158 HydrophobicContact CZ3-CD1 3.88Å; W19-L158 HydrophobicContact CZ3-CG 4.04Å; Y93-L158 WeakPolarHBondContact CD2-O 3.45Å; Y93-L158 HydrophobicContact CE2-CB 4.32Å; Y93-L158 HydrophobicContact CE2-CD2 4.25Å; Y93-L158 WeakPolarHBondContact CE2-O 3.37Å; Y93-L158 VanDerWaalsContact OH-CD2 3.3Å; Y93-L158 WeakPolarHBondContact OH-CD2 3.27Å; Q154-L158 PolarHBondContact O-N 3.17Å; Y155-L158 PolarHBondContact O-N 3.33Å; Y155-L158 VanDerWaalsContact O-N 3.15Å; R156-L158 VanDerWaalsContact C-N 3.3Å; L158-V196 HydrophobicContact CB-CG1 3.96Å
159V86.1Confident78.4Confident4 Ų448.3 Ų48.32%0.02427%0.267CS..  trans-105.5120.1-171.9172.40000109.5Y155 N193 V197Y155-V159 HydrophobicContact CD1-CB 4.32Å; Y155-V159 HydrophobicContact CD2-CG2 4.32Å; Y155-V159 HydrophobicContact CE1-CB 3.98Å; Y155-V159 HydrophobicContact CE1-CG1 3.87Å; Y155-V159 HydrophobicContact CE1-CG2 4.41Å; Y155-V159 HydrophobicContact CE2-CB 4.42Å; Y155-V159 HydrophobicContact CE2-CG2 3.96Å; Y155-V159 WeakPolarHBondContact O-CB 3.44Å; Y155-V159 PolarHBondContact O-N 2.87Å; V159-N193 HydrophobicContact CG1-CB 4.3Å; V159-N193 VanDerWaalsContact CG1-CG 3.43Å; V159-N193 WeakPolarHBondContact CG1-ND2 3.34Å; V159-N193 VanDerWaalsContact CG1-OD1 3.3Å; V159-N193 WeakPolarHBondContact CG1-OD1 3.47Å; V159-N193 HydrophobicContact CG2-CB 4.07Å; V159-V197 HydrophobicContact CG2-CG2 3.76Å
160A82.4Confident80.5Confident11 Ų1148.8 Ų48.89%0.09126%0.264CS..SBendtrans-78.3-31.8175.700000111.9D91 P162D91-A160 WeakPolarHBondContact OD1-CA 3.31Å; D91-A160 WeakPolarHBondContact OD1-CB 3.25Å; D91-A160 PolarHBondContact OD1-N 3.46Å; A160-P162 WeakPolarHBondContact O-CD 3.25Å
161H84.3Confident82.5Confident41 Ų4142.6 Ų42.619%0.1923%0.225CC..SBendtrans-122.389.3-174.7-69.371000112.3N88 E89 F110 N193N88-H161 PolarHBondContact O-CE1 2.6Å; E89-H161 PolarHBondContact O-CE1 2.94Å; F110-H161 WeakPolarHBondContact CB-CE1 3.34Å; F110-H161 WeakPolarHBondContact CB-ND1 3.47Å; F110-H161 WeakPolarHBondContact CB-NE2 3.45Å; F110-H161 HydrophobicContact CD1-CB 3.91Å; F110-H161 AromaticContact CD1-CD2 3.41Å; F110-H161 VanDerWaalsContact CD1-CD2 3.41Å; F110-H161 WeakPolarHBondContact CD1-CD2 3.43Å; F110-H161 AromaticContact CD1-CG 3.37Å; F110-H161 AromaticContact CD1-ND1 3.81Å; F110-H161 AromaticContact CD1-NE2 3.88Å; F110-H161 HydrophobicContact CD2-CB 3.97Å; F110-H161 AromaticContact CD2-CG 3.7Å; F110-H161 AromaticContact CD2-ND1 3.56Å; F110-H161 HydrophobicContact CE1-CB 3.91Å; F110-H161 AromaticContact CE1-CG 3.91Å; F110-H161 HydrophobicContact CE2-CB 3.94Å; F110-H161 HydrophobicContact CG-CB 3.96Å; F110-H161 AromaticContact CG-CD2 3.66Å; F110-H161 AromaticContact CG-CE1 3.6Å; F110-H161 AromaticContact CG-CG 3.28Å; F110-H161 AromaticContact CG-ND1 3.21Å; F110-H161 WeakPolarHBondContact CG-ND1 3.32Å; F110-H161 AromaticContact CG-NE2 3.83Å; F110-H161 HydrophobicContact CZ-CB 3.92Å; H161-N193 PolarHBondContact O-ND2 3.47Å
162P85.4Confident83.5Confident28 Ų2841.6 Ų41.618%0.18222%0.219CC..  trans-59136.6174.3-24.834.9000112.3Y155 A160 R167Y155-P162 HydrophobicContact CE1-CB 3.77Å; Y155-P162 HydrophobicContact CE1-CG 3.92Å; A160-P162 WeakPolarHBondContact O-CD 3.25Å; P162-R167 PolarHBondContact O-NH1 3.24Å
163M87.4Confident84.2Confident8 Ų846.8 Ų46.84%0.03924%0.243CC..  trans-147.2141.1173.9-1745668.400109.7I143 R167 I168 D186 I189 I190I143-M163 HydrophobicContact CD1-CE 3.39Å; M163-R167 HydrophobicContact SD-CB 3.95Å; M163-I168 HydrophobicContact CG-CD1 4.39Å; M163-I168 HydrophobicContact CG-CG1 4.41Å; M163-I168 HydrophobicContact SD-CD1 4.45Å; M163-I168 HydrophobicContact SD-CG1 3.84Å; M163-D186 HydrophobicContact CE-CB 4.01Å; M163-D186 VanDerWaalsContact CE-CG 3.46Å; M163-D186 HydrophobicContact CG-CB 4.31Å; M163-D186 WeakPolarHBondContact CG-O 3.36Å; M163-D186 HydrophobicContact SD-CB 4.16Å; M163-I189 HydrophobicContact CB-CB 3.86Å; M163-I189 HydrophobicContact CB-CG2 3.62Å; M163-I189 HydrophobicContact CE-CD1 4.19Å; M163-I189 HydrophobicContact CG-CB 4.17Å; M163-I189 HydrophobicContact CG-CG2 4.46Å; M163-I190 HydrophobicContact CB-CG1 4.13Å; M163-I190 HydrophobicContact CG-CD1 4.32Å; M163-I190 HydrophobicContact CG-CG1 3.73Å
164D83.5Confident84.4Confident68 Ų6850.2 Ų50.236%0.36427%0.265SS..  trans-152165.6-178.161.870.9000110.4G166 R167 I168D164-G166 PolarHBondContact O-N 2.88Å; D164-G166 VanDerWaalsContact OD1-CA 3.31Å; D164-G166 WeakPolarHBondContact OD1-CA 3.36Å; D164-G166 PolarHBondContact OD1-N 2.94Å; D164-R167 PolarHBondContact O-N 3.35Å; D164-R167 PolarHBondContact OD1-N 3.02Å; D164-R167 IonicContact OD2-CZ 2.64Å; D164-R167 IonicContact OD2-NE 3.47Å; D164-R167 PolarHBondContact OD2-NE 2.98Å; D164-R167 IonicContact OD2-NH2 3.78Å; D164-I168 WeakPolarHBondContact O-CG1 3.49Å; D164-I168 PolarHBondContact O-N 2.91Å; D164-I168 VanDerWaalsContact O-N 3.15Å
165L82.6Confident84.5Confident114 Ų11451 Ų5160%0.59728%0.284SS*.Hα-helixtrans-64.8-27.4-177.6-64.9176.2000113.2I168 S169 I190L165-I168 PolarHBondContact O-N 3.43Å; L165-S169 WeakPolarHBondContact O-CB 3.31Å; L165-S169 PolarHBondContact O-N 2.94Å; L165-I190 HydrophobicContact CD2-CD1 3.97Å; L165-I190 HydrophobicContact CG-CD1 4.38Å
166G81.2Confident84.5Confident38 Ų3851.5 Ų51.539%0.39229%0.288SS..Hα-helixtrans-63.6-49.7175.800000110.6D164 I168 S169 D170D164-G166 PolarHBondContact O-N 2.88Å; D164-G166 VanDerWaalsContact OD1-CA 3.31Å; D164-G166 WeakPolarHBondContact OD1-CA 3.36Å; D164-G166 PolarHBondContact OD1-N 2.94Å; G166-I168 VanDerWaalsContact C-N 3.31Å; G166-I168 PolarHBondContact O-N 3.42Å; G166-S169 VanDerWaalsContact O-CB 3.3Å; G166-S169 WeakPolarHBondContact O-CB 3.41Å; G166-S169 PolarHBondContact O-N 2.92Å; G166-S169 VanDerWaalsContact O-N 3.12Å; G166-D170 VanDerWaalsContact O-CG 3.3Å; G166-D170 PolarHBondContact O-N 2.9Å
167R83.5Confident84.5Confident33 Ų3348.2 Ų48.213%0.12528%0.276CS..Hα-helixtrans-59.9-41174.7-66-179.7-156.4-146.9-9.6112.9P162 M163 D164 S169 D170 K171P162-R167 PolarHBondContact O-NH1 3.24Å; M163-R167 HydrophobicContact SD-CB 3.95Å; D164-R167 PolarHBondContact O-N 3.35Å; D164-R167 PolarHBondContact OD1-N 3.02Å; D164-R167 IonicContact OD2-CZ 2.64Å; D164-R167 IonicContact OD2-NE 3.47Å; D164-R167 PolarHBondContact OD2-NE 2.98Å; D164-R167 IonicContact OD2-NH2 3.78Å; R167-S169 VanDerWaalsContact C-N 3.31Å; R167-D170 PolarHBondContact O-N 3.3Å; R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 VanDerWaalsContact O-CG 3.27Å; R167-K171 WeakPolarHBondContact O-CG 3.3Å; R167-K171 PolarHBondContact O-N 2.91Å
168I86.7Confident84.3Confident7 Ų752.5 Ų52.54%0.03631%0.308CS..Hα-helixtrans-63.1-42.4177.3-67.2-178.7000110.1M163 D164 L165 G166 K171 L172 Y177 F183 D186 V187 I190M163-I168 HydrophobicContact CG-CD1 4.39Å; M163-I168 HydrophobicContact CG-CG1 4.41Å; M163-I168 HydrophobicContact SD-CD1 4.45Å; M163-I168 HydrophobicContact SD-CG1 3.84Å; D164-I168 WeakPolarHBondContact O-CG1 3.49Å; D164-I168 PolarHBondContact O-N 2.91Å; D164-I168 VanDerWaalsContact O-N 3.15Å; L165-I168 PolarHBondContact O-N 3.43Å; G166-I168 VanDerWaalsContact C-N 3.31Å; G166-I168 PolarHBondContact O-N 3.42Å; I168-K171 PolarHBondContact O-N 2.93Å; I168-L172 HydrophobicContact CG2-CD1 4.13Å; I168-L172 WeakPolarHBondContact O-CG 3.34Å; I168-L172 PolarHBondContact O-N 2.85Å; I168-Y177 HydrophobicContact CG2-CE2 4.41Å; I168-F183 HydrophobicContact CG2-CD2 3.8Å; I168-F183 HydrophobicContact CG2-CE2 3.42Å; I168-F183 VanDerWaalsContact CG2-CE2 3.42Å; I168-D186 HydrophobicContact CD1-CB 4.06Å; I168-D186 HydrophobicContact CG1-CB 4.11Å; I168-V187 HydrophobicContact CD1-CG2 3.95Å; I168-I190 HydrophobicContact CD1-CD1 3.54Å; I168-I190 HydrophobicContact CD1-CG1 4.41Å
169S82.6Confident84.1Confident52 Ų5255.4 Ų55.436%0.36432%0.323SS..Hα-helixtrans-59-50.3174.4-163.10000111.3L165 G166 R167 K171 L172 E173L165-S169 WeakPolarHBondContact O-CB 3.31Å; L165-S169 PolarHBondContact O-N 2.94Å; G166-S169 VanDerWaalsContact O-CB 3.3Å; G166-S169 WeakPolarHBondContact O-CB 3.41Å; G166-S169 PolarHBondContact O-N 2.92Å; G166-S169 VanDerWaalsContact O-N 3.12Å; R167-S169 VanDerWaalsContact C-N 3.31Å; S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.28Å; S169-L172 WeakPolarHBondContact O-CB 3.34Å; S169-L172 PolarHBondContact O-N 2.95Å; S169-L172 VanDerWaalsContact O-N 3.12Å; S169-E173 WeakPolarHBondContact O-CG 3.3Å; S169-E173 PolarHBondContact O-N 3.44Å
170D83Confident84.1Confident91 Ų9158.6 Ų58.649%0.48734%0.342SS..Hα-helixtrans-60.2-41.8179.2-64.1-19.7000111.5G166 R167 E173 T174G166-D170 VanDerWaalsContact O-CG 3.3Å; G166-D170 PolarHBondContact O-N 2.9Å; R167-D170 PolarHBondContact O-N 3.3Å; D170-E173 PolarHBondContact O-N 2.92Å; D170-T174 WeakPolarHBondContact O-CB 3.15Å; D170-T174 WeakPolarHBondContact O-CG2 3.3Å; D170-T174 PolarHBondContact O-N 3.38Å; D170-T174 PolarHBondContact O-OG1 2.87Å
171K85.2Confident84.2Confident12 Ų1263.7 Ų63.75%0.05236%0.359CS..Hα-helixtrans-65.3-36.6176.6-75.7-17768.4174.10112.6R167 I168 S169 G175 Q176 Y177 D186R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 VanDerWaalsContact O-CG 3.27Å; R167-K171 WeakPolarHBondContact O-CG 3.3Å; R167-K171 PolarHBondContact O-N 2.91Å; I168-K171 PolarHBondContact O-N 2.93Å; S169-K171 VanDerWaalsContact C-N 3.31Å; S169-K171 PolarHBondContact O-N 3.28Å; K171-G175 PolarHBondContact O-N 3.28Å; K171-Q176 HydrophobicContact CB-CB 4.04Å; K171-Q176 HydrophobicContact CG-CB 4.11Å; K171-Q176 PolarHBondContact O-N 3.45Å; K171-Y177 HydrophobicContact CB-CD2 4.03Å; K171-Y177 HydrophobicContact CB-CE2 3.39Å; K171-Y177 HydrophobicContact CD-CE1 4.29Å; K171-Y177 HydrophobicContact CD-CE2 4.49Å; K171-Y177 VanDerWaalsContact CE-CE1 3.44Å; K171-D186 WeakPolarHBondContact CE-OD2 3.49Å; K171-D186 IonicContact NZ-OD1 3.71Å; K171-D186 IonicContact NZ-OD2 3.72Å; K171-D186 PolarHBondContact NZ-OD2 2.87Å
172L85.1Confident84.3Confident98 Ų9862.4 Ų62.451%0.51335%0.353SS..Hα-helixtrans-65.6-47.3173.1-76165.4000111.1I168 S169 T174 G175 Y177 F183I168-L172 HydrophobicContact CG2-CD1 4.13Å; I168-L172 WeakPolarHBondContact O-CG 3.34Å; I168-L172 PolarHBondContact O-N 2.85Å; S169-L172 WeakPolarHBondContact O-CB 3.34Å; S169-L172 PolarHBondContact O-N 2.95Å; S169-L172 VanDerWaalsContact O-N 3.12Å; L172-T174 PolarHBondContact O-N 3.5Å; L172-G175 PolarHBondContact O-N 3.27Å; L172-Y177 HydrophobicContact CD2-CD2 3.82Å; L172-Y177 HydrophobicContact CD2-CE2 4.21Å; L172-Y177 HydrophobicContact CG-CD2 4Å; L172-Y177 HydrophobicContact CG-CE2 3.95Å; L172-F183 HydrophobicContact CD1-CD2 4.33Å; L172-F183 HydrophobicContact CD1-CE2 3.98Å; L172-F183 HydrophobicContact CD2-CD2 4.18Å; L172-F183 HydrophobicContact CG-CD2 4.4Å
173E84.4Confident84.4Confident135 Ų13563.3 Ų63.363%0.63135%0.354SS*.Hα-helixtrans-64.9-39.8-178.7-72.9179.8-166.400112.8S169 D170 G175S169-E173 WeakPolarHBondContact O-CG 3.3Å; S169-E173 PolarHBondContact O-N 3.44Å; D170-E173 PolarHBondContact O-N 2.92Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.01Å
174T85.7Confident84.5Confident91 Ų9164.5 Ų64.556%0.55836%0.361SS*.THydrogen-bonded Turntrans-83.2-1.2178.755.20000113.6D170 L172 Q176D170-T174 WeakPolarHBondContact O-CB 3.15Å; D170-T174 WeakPolarHBondContact O-CG2 3.3Å; D170-T174 PolarHBondContact O-N 3.38Å; D170-T174 PolarHBondContact O-OG1 2.87Å; L172-T174 PolarHBondContact O-N 3.5Å; T174-Q176 VanDerWaalsContact C-N 3.34Å; T174-Q176 PolarHBondContact O-N 2.89Å; T174-Q176 WeakPolarHBondContact OG1-CG 3.48Å; T174-Q176 PolarHBondContact OG1-NE2 2.94Å
175G83.8Confident84.7Confident57 Ų5761.6 Ų61.659%0.58835%0.346SS*.THydrogen-bonded Turntrans66.930.7178.800000114.1K171 L172 E173 Y177K171-G175 PolarHBondContact O-N 3.28Å; L172-G175 PolarHBondContact O-N 3.27Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.01Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.47Å
176Q83.6Confident85.1Confident74 Ų7456.3 Ų56.335%0.34632%0.318SS..  trans-75.8-13.8-178.5-73.6-179.25700114.1K171 T174K171-Q176 HydrophobicContact CB-CB 4.04Å; K171-Q176 HydrophobicContact CG-CB 4.11Å; K171-Q176 PolarHBondContact O-N 3.45Å; T174-Q176 VanDerWaalsContact C-N 3.34Å; T174-Q176 PolarHBondContact O-N 2.89Å; T174-Q176 WeakPolarHBondContact OG1-CG 3.48Å; T174-Q176 PolarHBondContact OG1-NE2 2.94Å
177Y84.7Confident85.6Confident32 Ų3255.4 Ų55.413%0.12531%0.305CS..  trans-90.5119.3173.9-63.5-63.1000110.5I168 K171 L172 G175 E182 F183 D186I168-Y177 HydrophobicContact CG2-CE2 4.41Å; K171-Y177 HydrophobicContact CB-CD2 4.03Å; K171-Y177 HydrophobicContact CB-CE2 3.39Å; K171-Y177 HydrophobicContact CD-CE1 4.29Å; K171-Y177 HydrophobicContact CD-CE2 4.49Å; K171-Y177 VanDerWaalsContact CE-CE1 3.44Å; L172-Y177 HydrophobicContact CD2-CD2 3.82Å; L172-Y177 HydrophobicContact CD2-CE2 4.21Å; L172-Y177 HydrophobicContact CG-CD2 4Å; L172-Y177 HydrophobicContact CG-CE2 3.95Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.47Å; Y177-E182 HydrophobicContact CD1-CB 3.75Å; Y177-E182 HydrophobicContact CE1-CB 4.44Å; Y177-E182 WeakPolarHBondContact CE1-O 3.16Å; Y177-F183 HydrophobicContact CD1-CB 4.08Å; Y177-F183 HydrophobicContact CD2-CB 4.21Å; Y177-F183 HydrophobicContact CD2-CD2 4.38Å; Y177-F183 VanDerWaalsContact CE1-CA 3.49Å; Y177-F183 HydrophobicContact CE1-CB 4.22Å; Y177-F183 HydrophobicContact CE2-CB 4.34Å; Y177-F183 AromaticContact CE2-CD2 3.97Å; Y177-F183 HydrophobicContact CE2-CD2 3.97Å; Y177-F183 HydrophobicContact CG-CB 4.07Å; Y177-D186 HydrophobicContact CE1-CB 4.39Å; Y177-D186 WeakPolarHBondContact CE1-OD2 3.31Å; Y177-D186 VanDerWaalsContact CZ-OD2 3.26Å; Y177-D186 PolarHBondContact OH-OD2 2.82Å
178S83.6Confident86Confident105 Ų10556.4 Ų56.473%0.73431%0.311SS*.SBendtrans-83.7-21.2177.2-56.10000112.4E182S178-E182 PolarHBondContact N-OE2 3.12Å
179N81.7Confident86.3Confident65 Ų6556.1 Ų56.135%0.34831%0.31SS..SBendtrans-155.6162.3-179.157.670.7000110.6R181 E182N179-R181 PolarHBondContact O-N 3.45Å; N179-R181 WeakPolarHBondContact OD1-CA 3.32Å; N179-R181 VanDerWaalsContact OD1-CB 3.26Å; N179-R181 WeakPolarHBondContact OD1-CB 3.36Å; N179-R181 PolarHBondContact OD1-N 3.2Å; N179-R181 VanDerWaalsContact OD1-N 3.14Å; N179-E182 PolarHBondContact ND2-OE1 2.83Å; N179-E182 PolarHBondContact O-N 3.38Å; N179-E182 WeakPolarHBondContact OD1-CG 3.16Å; N179-E182 PolarHBondContact OD1-N 3.03Å
180V86.3Confident86.6Confident71 Ų7155.2 Ų55.243%0.4330%0.3SS..Hα-helixtrans-62-28.2-179.3178.40000112.3E182 F183 L184 I219V180-E182 PolarHBondContact O-N 3.4Å; V180-F183 PolarHBondContact O-N 3.15Å; V180-L184 HydrophobicContact CG1-CD1 4.34Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 PolarHBondContact O-N 3.12Å; V180-I219 HydrophobicContact CG1-CB 4.41Å; V180-I219 HydrophobicContact CG1-CD1 3.48Å; V180-I219 VanDerWaalsContact CG1-CD1 3.48Å; V180-I219 HydrophobicContact CG1-CG1 3.79Å; V180-I219 HydrophobicContact CG1-CG2 3.73Å
181R84.7Confident87Confident117 Ų11751.7 Ų51.744%0.44228%0.281SS..Hα-helixtrans-66.5-36.5179.8-169.7-178.6-17211410.8112.2N179 L184 S185N179-R181 PolarHBondContact O-N 3.45Å; N179-R181 WeakPolarHBondContact OD1-CA 3.32Å; N179-R181 VanDerWaalsContact OD1-CB 3.26Å; N179-R181 WeakPolarHBondContact OD1-CB 3.36Å; N179-R181 PolarHBondContact OD1-N 3.2Å; N179-R181 VanDerWaalsContact OD1-N 3.14Å; R181-L184 PolarHBondContact O-N 2.8Å; R181-S185 VanDerWaalsContact O-CB 3.27Å; R181-S185 WeakPolarHBondContact O-CB 3.43Å; R181-S185 PolarHBondContact O-N 3.3Å
182E84.8Confident87.4Confident15 Ų1551.2 Ų51.27%0.0728%0.279CS..Hα-helixtrans-67.6-38.5175.1-70.7169.9-174.800111.8Y177 S178 N179 V180 S185 D186Y177-E182 HydrophobicContact CD1-CB 3.75Å; Y177-E182 HydrophobicContact CE1-CB 4.44Å; Y177-E182 WeakPolarHBondContact CE1-O 3.16Å; S178-E182 PolarHBondContact N-OE2 3.12Å; N179-E182 PolarHBondContact ND2-OE1 2.83Å; N179-E182 PolarHBondContact O-N 3.38Å; N179-E182 WeakPolarHBondContact OD1-CG 3.16Å; N179-E182 PolarHBondContact OD1-N 3.03Å; V180-E182 PolarHBondContact O-N 3.4Å; E182-S185 WeakPolarHBondContact O-CB 3.27Å; E182-S185 PolarHBondContact O-N 3.43Å; E182-D186 PolarHBondContact O-N 2.89Å
183F88.2Confident87.7Confident46 Ų4646.6 Ų46.620%0.20226%0.255CS..Hα-helixtrans-63.1-50.2172.8165.8-98.3000111.3I168 L172 Y177 V180 S185 D186 V187 V215 I219I168-F183 HydrophobicContact CG2-CD2 3.8Å; I168-F183 HydrophobicContact CG2-CE2 3.42Å; I168-F183 VanDerWaalsContact CG2-CE2 3.42Å; L172-F183 HydrophobicContact CD1-CD2 4.33Å; L172-F183 HydrophobicContact CD1-CE2 3.98Å; L172-F183 HydrophobicContact CD2-CD2 4.18Å; L172-F183 HydrophobicContact CG-CD2 4.4Å; Y177-F183 HydrophobicContact CD1-CB 4.08Å; Y177-F183 HydrophobicContact CD2-CB 4.21Å; Y177-F183 HydrophobicContact CD2-CD2 4.38Å; Y177-F183 VanDerWaalsContact CE1-CA 3.49Å; Y177-F183 HydrophobicContact CE1-CB 4.22Å; Y177-F183 HydrophobicContact CE2-CB 4.34Å; Y177-F183 AromaticContact CE2-CD2 3.97Å; Y177-F183 HydrophobicContact CE2-CD2 3.97Å; Y177-F183 HydrophobicContact CG-CB 4.07Å; V180-F183 PolarHBondContact O-N 3.15Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 3.05Å; F183-D186 PolarHBondContact O-N 3.41Å; F183-D186 VanDerWaalsContact O-N 3.13Å; F183-V187 HydrophobicContact CE1-CG2 4.15Å; F183-V187 HydrophobicContact CE2-CG2 4.25Å; F183-V187 HydrophobicContact CZ-CG2 3.96Å; F183-V187 PolarHBondContact O-N 3.43Å; F183-V215 HydrophobicContact CE1-CG1 3.71Å; F183-V215 HydrophobicContact CZ-CG1 4.41Å; F183-I219 HydrophobicContact CD1-CD1 4.47Å; F183-I219 HydrophobicContact CE1-CD1 4.48Å
184L88.8Confident87.8Confident33 Ų3341.1 Ų41.117%0.17323%0.231CC..Hα-helixtrans-57.1-41.8175.3-84.2175.9000112.1V180 R181 D186 V187 E188 V215 K216 I219V180-L184 HydrophobicContact CG1-CD1 4.34Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 PolarHBondContact O-N 3.12Å; R181-L184 PolarHBondContact O-N 2.8Å; L184-D186 VanDerWaalsContact C-N 3.27Å; L184-D186 PolarHBondContact O-N 2.87Å; L184-V187 PolarHBondContact O-N 2.85Å; L184-V187 VanDerWaalsContact O-N 3.15Å; L184-E188 WeakPolarHBondContact O-CG 3.21Å; L184-E188 PolarHBondContact O-N 2.88Å; L184-V215 HydrophobicContact CD2-CG1 3.72Å; L184-K216 HydrophobicContact CD2-CG 4.22Å; L184-I219 HydrophobicContact CD1-CD1 3.7Å; L184-I219 HydrophobicContact CD2-CD1 3.49Å; L184-I219 VanDerWaalsContact CD2-CD1 3.49Å; L184-I219 HydrophobicContact CG-CD1 3.49Å; L184-I219 VanDerWaalsContact CG-CD1 3.49Å
185S89.5Confident88Confident7 Ų737.4 Ų37.45%0.04921%0.208CC..Hα-helixtrans-55-43.5177.3-178.50000111.1R111 R181 E182 F183 E188 I189R111-S185 PolarHBondContact NH2-O 2.87Å; R111-S185 PolarHBondContact NH2-OG 3.23Å; R181-S185 VanDerWaalsContact O-CB 3.27Å; R181-S185 WeakPolarHBondContact O-CB 3.43Å; R181-S185 PolarHBondContact O-N 3.3Å; E182-S185 WeakPolarHBondContact O-CB 3.27Å; E182-S185 PolarHBondContact O-N 3.43Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 3.05Å; S185-E188 WeakPolarHBondContact O-CB 3.25Å; S185-E188 PolarHBondContact O-N 3.37Å; S185-I189 VanDerWaalsContact O-CG1 3.25Å; S185-I189 WeakPolarHBondContact O-CG1 3.46Å; S185-I189 PolarHBondContact O-N 3.31Å
186D90.2Very high88.3Confident3 Ų334.8 Ų34.82%0.01618%0.18CC..Hα-helixtrans-69.1-37.7177.7-78.2-0.8000113.1M163 I168 K171 Y177 E182 F183 L184 E188 I189 I190M163-D186 HydrophobicContact CE-CB 4.01Å; M163-D186 VanDerWaalsContact CE-CG 3.46Å; M163-D186 HydrophobicContact CG-CB 4.31Å; M163-D186 WeakPolarHBondContact CG-O 3.36Å; M163-D186 HydrophobicContact SD-CB 4.16Å; I168-D186 HydrophobicContact CD1-CB 4.06Å; I168-D186 HydrophobicContact CG1-CB 4.11Å; K171-D186 WeakPolarHBondContact CE-OD2 3.49Å; K171-D186 IonicContact NZ-OD1 3.71Å; K171-D186 IonicContact NZ-OD2 3.72Å; K171-D186 PolarHBondContact NZ-OD2 2.87Å; Y177-D186 HydrophobicContact CE1-CB 4.39Å; Y177-D186 WeakPolarHBondContact CE1-OD2 3.31Å; Y177-D186 VanDerWaalsContact CZ-OD2 3.26Å; Y177-D186 PolarHBondContact OH-OD2 2.82Å; E182-D186 PolarHBondContact O-N 2.89Å; F183-D186 PolarHBondContact O-N 3.41Å; F183-D186 VanDerWaalsContact O-N 3.13Å; L184-D186 VanDerWaalsContact C-N 3.27Å; L184-D186 PolarHBondContact O-N 2.87Å; D186-E188 VanDerWaalsContact C-N 3.28Å; D186-E188 PolarHBondContact O-N 2.93Å; D186-I189 WeakPolarHBondContact O-CB 3.33Å; D186-I189 PolarHBondContact O-N 2.88Å; D186-I189 VanDerWaalsContact O-N 3.1Å; D186-I190 PolarHBondContact O-N 3.17Å
187V90.6Very high88.4Confident19 Ų1932.6 Ų32.612%0.11517%0.172CC..Hα-helixtrans-63.3-37.5173.9-174.80000110.7I168 F183 L184 I189 I190 L191 L212I168-V187 HydrophobicContact CD1-CG2 3.95Å; F183-V187 HydrophobicContact CE1-CG2 4.15Å; F183-V187 HydrophobicContact CE2-CG2 4.25Å; F183-V187 HydrophobicContact CZ-CG2 3.96Å; F183-V187 PolarHBondContact O-N 3.43Å; L184-V187 PolarHBondContact O-N 2.85Å; L184-V187 VanDerWaalsContact O-N 3.15Å; V187-I189 VanDerWaalsContact C-N 3.28Å; V187-I189 PolarHBondContact O-N 3.46Å; V187-I190 WeakPolarHBondContact O-CB 3.35Å; V187-I190 PolarHBondContact O-N 3.37Å; V187-L191 PolarHBondContact O-N 2.82Å; V187-L212 HydrophobicContact CB-CD1 4.14Å; V187-L212 HydrophobicContact CG1-CD1 3.68Å
188E93.1Very high88.3Confident54 Ų5436 Ų3625%0.25219%0.187SC..Hα-helixtrans-62.6-33.4173-67.3171.9169.100112.5F95 R111 L184 S185 D186 I190 L191 H192 L212F95-E188 HydrophobicContact CE1-CB 4.22Å; F95-E188 HydrophobicContact CZ-CB 3.97Å; R111-E188 IonicContact CZ-OE2 3.49Å; R111-E188 IonicContact NH1-OE2 3.01Å; R111-E188 PolarHBondContact NH1-OE2 3.42Å; R111-E188 IonicContact NH2-OE2 2.94Å; R111-E188 PolarHBondContact NH2-OE2 3.42Å; L184-E188 WeakPolarHBondContact O-CG 3.21Å; L184-E188 PolarHBondContact O-N 2.88Å; S185-E188 WeakPolarHBondContact O-CB 3.25Å; S185-E188 PolarHBondContact O-N 3.37Å; D186-E188 VanDerWaalsContact C-N 3.28Å; D186-E188 PolarHBondContact O-N 2.93Å; E188-I190 VanDerWaalsContact C-N 3.31Å; E188-I190 PolarHBondContact O-N 3.17Å; E188-L191 PolarHBondContact O-N 3.45Å; E188-H192 WeakPolarHBondContact O-CB 3.38Å; E188-H192 PolarHBondContact O-N 2.91Å; E188-L212 HydrophobicContact CG-CD1 4.3Å; E188-L212 HydrophobicContact CG-CD2 4.31Å
189I92.4Very high88.4Confident2 Ų231.4 Ų31.41%0.0116%0.157CC..Hα-helixtrans-62.6-41.8175.7-51.3-179.3000110.1F110 L140 M163 S185 D186 V187 L191 H192 N193F110-I189 HydrophobicContact CE1-CD1 3.61Å; F110-I189 HydrophobicContact CE1-CG1 4.3Å; F110-I189 HydrophobicContact CZ-CB 4.45Å; F110-I189 HydrophobicContact CZ-CD1 3.52Å; F110-I189 HydrophobicContact CZ-CG1 3.72Å; F110-I189 HydrophobicContact CZ-CG2 3.97Å; L140-I189 HydrophobicContact CD1-CD1 3.97Å; M163-I189 HydrophobicContact CB-CB 3.86Å; M163-I189 HydrophobicContact CB-CG2 3.62Å; M163-I189 HydrophobicContact CE-CD1 4.19Å; M163-I189 HydrophobicContact CG-CB 4.17Å; M163-I189 HydrophobicContact CG-CG2 4.46Å; S185-I189 VanDerWaalsContact O-CG1 3.25Å; S185-I189 WeakPolarHBondContact O-CG1 3.46Å; S185-I189 PolarHBondContact O-N 3.31Å; D186-I189 WeakPolarHBondContact O-CB 3.33Å; D186-I189 PolarHBondContact O-N 2.88Å; D186-I189 VanDerWaalsContact O-N 3.1Å; V187-I189 VanDerWaalsContact C-N 3.28Å; V187-I189 PolarHBondContact O-N 3.46Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 3.13Å; I189-H192 PolarHBondContact O-N 2.86Å; I189-N193 WeakPolarHBondContact O-CB 3.24Å; I189-N193 PolarHBondContact O-N 2.89Å
190I89.4Confident88.7Confident32 Ų3235.1 Ų35.116%0.16417%0.17CC..Hα-helixtrans-57.8-49.7176.9-61.6178.6000109.8M163 L165 I168 D186 V187 E188 H192 N193 V194M163-I190 HydrophobicContact CB-CG1 4.13Å; M163-I190 HydrophobicContact CG-CD1 4.32Å; M163-I190 HydrophobicContact CG-CG1 3.73Å; L165-I190 HydrophobicContact CD2-CD1 3.97Å; L165-I190 HydrophobicContact CG-CD1 4.38Å; I168-I190 HydrophobicContact CD1-CD1 3.54Å; I168-I190 HydrophobicContact CD1-CG1 4.41Å; D186-I190 PolarHBondContact O-N 3.17Å; V187-I190 WeakPolarHBondContact O-CB 3.35Å; V187-I190 PolarHBondContact O-N 3.37Å; E188-I190 VanDerWaalsContact C-N 3.31Å; E188-I190 PolarHBondContact O-N 3.17Å; I190-H192 VanDerWaalsContact C-N 3.33Å; I190-H192 PolarHBondContact O-N 2.87Å; I190-N193 PolarHBondContact O-N 3.49Å; I190-V194 HydrophobicContact CG2-CG2 4.24Å; I190-V194 WeakPolarHBondContact O-CB 3.47Å; I190-V194 WeakPolarHBondContact O-CG2 3.31Å; I190-V194 PolarHBondContact O-N 2.88Å
191L91.3Very high88.7Confident17 Ų1737.7 Ų37.79%0.08918%0.181CC..Hα-helixtrans-60.5-42.8178.3178.163.5000111.9V187 E188 I189 V194 N195 A208 Q209 L212V187-L191 PolarHBondContact O-N 2.82Å; E188-L191 PolarHBondContact O-N 3.45Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 3.13Å; L191-V194 PolarHBondContact O-N 3.08Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.37Å; L191-N195 PolarHBondContact O-N 3.39Å; L191-N195 PolarHBondContact O-ND2 3.16Å; L191-A208 HydrophobicContact CD1-CB 3.81Å; L191-Q209 HydrophobicContact CD1-CB 4.28Å; L191-Q209 VanDerWaalsContact CD2-OE1 3.27Å; L191-L212 HydrophobicContact CB-CD2 4.46Å; L191-L212 HydrophobicContact CD2-CD2 3.44Å; L191-L212 VanDerWaalsContact CD2-CD2 3.44Å
192H93.3Very high88.6Confident2 Ų233.5 Ų33.51%0.00917%0.17CC..Hα-helixtrans-58.8-52.2176.517682.1000111.7D91 C94 F95 H98 E188 I189 I190 V194 N195 V196D91-H192 IonicContact OD2-CD2 3.8Å; D91-H192 IonicContact OD2-NE2 2.83Å; C94-H192 PolarHBondContact O-CE1 3.43Å; C94-H192 VanDerWaalsContact O-CE1 3.3Å; F95-H192 WeakPolarHBondContact CA-ND1 3.26Å; F95-H192 HydrophobicContact CD2-CB 4.11Å; F95-H192 AromaticContact CD2-CG 3.73Å; F95-H192 AromaticContact CD2-ND1 3.7Å; F95-H192 HydrophobicContact CE2-CB 3.72Å; F95-H192 AromaticContact CE2-CG 3.83Å; F95-H192 HydrophobicContact CZ-CB 4.21Å; F95-H192 PolarHBondContact O-ND1 3.48Å; H98-H192 AromaticContact CE1-ND1 3.49Å; H98-H192 PolarHBondContact CE1-ND1 2.91Å; H98-H192 AromaticContact ND1-CE1 3.6Å; H98-H192 AromaticContact ND1-CG 3.68Å; H98-H192 AromaticContact ND1-ND1 2.9Å; H98-H192 PolarHBondContact ND1-ND1 2.92Å; E188-H192 WeakPolarHBondContact O-CB 3.38Å; E188-H192 PolarHBondContact O-N 2.91Å; I189-H192 PolarHBondContact O-N 2.86Å; I190-H192 VanDerWaalsContact C-N 3.33Å; I190-H192 PolarHBondContact O-N 2.87Å; H192-V194 VanDerWaalsContact C-N 3.32Å; H192-V194 PolarHBondContact O-N 2.83Å; H192-N195 WeakPolarHBondContact O-CB 3.45Å; H192-N195 PolarHBondContact O-N 3.19Å; H192-N195 VanDerWaalsContact O-N 3.15Å; H192-V196 WeakPolarHBondContact O-CG2 3.12Å; H192-V196 PolarHBondContact O-N 2.61Å
193N91.3Very high88.3Confident2 Ų237 Ų371%0.01120%0.196CC..Hα-helixtrans-62.1-40.9-178.6-68.3-10.2000111.6Y155 V159 H161 I189 I190 N195 V196 V197Y155-N193 PolarHBondContact OH-ND2 2.93Å; Y155-N193 VanDerWaalsContact OH-ND2 3.12Å; V159-N193 HydrophobicContact CG1-CB 4.3Å; V159-N193 VanDerWaalsContact CG1-CG 3.43Å; V159-N193 WeakPolarHBondContact CG1-ND2 3.34Å; V159-N193 VanDerWaalsContact CG1-OD1 3.3Å; V159-N193 WeakPolarHBondContact CG1-OD1 3.47Å; V159-N193 HydrophobicContact CG2-CB 4.07Å; H161-N193 PolarHBondContact O-ND2 3.47Å; I189-N193 WeakPolarHBondContact O-CB 3.24Å; I189-N193 PolarHBondContact O-N 2.89Å; I190-N193 PolarHBondContact O-N 3.49Å; N193-N195 VanDerWaalsContact C-N 3.35Å; N193-V196 PolarHBondContact O-N 3.2Å; N193-V197 WeakPolarHBondContact O-CB 3.3Å; N193-V197 VanDerWaalsContact O-CG2 3.24Å; N193-V197 WeakPolarHBondContact O-CG2 3.39Å; N193-V197 PolarHBondContact O-N 2.87Å
194V86.3Confident87.9Confident19 Ų1939.1 Ų39.112%0.11521%0.208CC..Hα-helixtrans-63.7-40.5176.5171.30000110.9I190 L191 H192 V197 F198 M204 V205 A208I190-V194 HydrophobicContact CG2-CG2 4.24Å; I190-V194 WeakPolarHBondContact O-CB 3.47Å; I190-V194 WeakPolarHBondContact O-CG2 3.31Å; I190-V194 PolarHBondContact O-N 2.88Å; L191-V194 PolarHBondContact O-N 3.08Å; H192-V194 VanDerWaalsContact C-N 3.32Å; H192-V194 PolarHBondContact O-N 2.83Å; V194-V197 PolarHBondContact O-N 2.89Å; V194-F198 HydrophobicContact CB-CD2 4.23Å; V194-F198 HydrophobicContact CG1-CD2 3.74Å; V194-F198 HydrophobicContact CG1-CE2 4.37Å; V194-F198 HydrophobicContact CG2-CD2 4.49Å; V194-F198 HydrophobicContact CG2-CE2 4.43Å; V194-F198 WeakPolarHBondContact O-CB 3.32Å; V194-F198 WeakPolarHBondContact O-CD2 3.41Å; V194-F198 PolarHBondContact O-N 3.37Å; V194-M204 HydrophobicContact CG1-CB 4.05Å; V194-M204 HydrophobicContact CG1-CG 3.73Å; V194-V205 HydrophobicContact CG1-CB 4.48Å; V194-V205 HydrophobicContact CG1-CG2 3.81Å; V194-A208 HydrophobicContact CG1-CB 4.26Å
195N90.7Very high87.7Confident14 Ų1438 Ų388%0.07520%0.202CC..Hα-helixtrans-62.4-44.9175.2-89.9-76.6000112.7H98 L191 H192 N193 G199 V205H98-N195 HydrophobicContact CB-CB 3.82Å; H98-N195 VanDerWaalsContact CD2-CB 3.41Å; H98-N195 WeakPolarHBondContact CD2-CB 3.44Å; H98-N195 VanDerWaalsContact CD2-CG 3.43Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.37Å; L191-N195 PolarHBondContact O-N 3.39Å; L191-N195 PolarHBondContact O-ND2 3.16Å; H192-N195 WeakPolarHBondContact O-CB 3.45Å; H192-N195 PolarHBondContact O-N 3.19Å; H192-N195 VanDerWaalsContact O-N 3.15Å; N193-N195 VanDerWaalsContact C-N 3.35Å; N195-G199 WeakPolarHBondContact O-CA 3.47Å; N195-G199 PolarHBondContact O-N 3.5Å; N195-V205 HydrophobicContact CB-CG2 4.41Å; N195-V205 VanDerWaalsContact OD1-CG1 3.3Å; N195-V205 WeakPolarHBondContact OD1-CG1 3.32Å
196V90Very high87.4Confident1 Ų144.5 Ų44.51%0.00623%0.23CC..Hα-helixtrans-63-47.4178.3172.90000110.8P12 R16 Y93 H98 L158 H192 N193P12-V196 HydrophobicContact CB-CG1 4.16Å; R16-V196 PolarHBondContact NE-O 2.84Å; Y93-V196 HydrophobicContact CD2-CB 4.38Å; Y93-V196 HydrophobicContact CD2-CG1 3.46Å; Y93-V196 VanDerWaalsContact CD2-CG1 3.46Å; Y93-V196 HydrophobicContact CD2-CG2 3.92Å; Y93-V196 HydrophobicContact CE2-CG1 3.53Å; Y93-V196 HydrophobicContact CG-CG1 4.23Å; Y93-V196 HydrophobicContact CG-CG2 4.11Å; H98-V196 HydrophobicContact CB-CG2 4.13Å; L158-V196 HydrophobicContact CB-CG1 3.96Å; H192-V196 WeakPolarHBondContact O-CG2 3.12Å; H192-V196 PolarHBondContact O-N 2.61Å; N193-V196 PolarHBondContact O-N 3.2Å
197V86.7Confident87Confident28 Ų2848.6 Ų48.617%0.1726%0.255CS..Hα-helixtrans-78.9-34.1-172174.50000113.3R16 Y155 V159 N193 V194R16-V197 WeakPolarHBondContact CD-O 3.47Å; R16-V197 PolarHBondContact NE-O 2.87Å; Y155-V197 HydrophobicContact CD2-CG2 3.7Å; Y155-V197 HydrophobicContact CE2-CG2 3.87Å; V159-V197 HydrophobicContact CG2-CG2 3.76Å; N193-V197 WeakPolarHBondContact O-CB 3.3Å; N193-V197 VanDerWaalsContact O-CG2 3.24Å; N193-V197 WeakPolarHBondContact O-CG2 3.39Å; N193-V197 PolarHBondContact O-N 2.87Å; V194-V197 PolarHBondContact O-N 2.89Å
198F81.6Confident86.7Confident103 Ų10348.6 Ų48.645%0.45226%0.257SS..Hα-helixtrans-110.7-15.6-175.2-59.4-75.9000114V194 M204V194-F198 HydrophobicContact CB-CD2 4.23Å; V194-F198 HydrophobicContact CG1-CD2 3.74Å; V194-F198 HydrophobicContact CG1-CE2 4.37Å; V194-F198 HydrophobicContact CG2-CD2 4.49Å; V194-F198 HydrophobicContact CG2-CE2 4.43Å; V194-F198 WeakPolarHBondContact O-CB 3.32Å; V194-F198 WeakPolarHBondContact O-CD2 3.41Å; V194-F198 PolarHBondContact O-N 3.37Å; F198-M204 HydrophobicContact CD2-CB 4.24Å; F198-M204 HydrophobicContact CD2-CG 4.07Å; F198-M204 HydrophobicContact CE2-CG 4.09Å; F198-M204 HydrophobicContact CG-CB 4.29Å
199G85.5Confident86.6Confident9 Ų949.6 Ų49.69%0.09326%0.262CS..  trans82.2147.3-175.100000113N195 D201 S202 V205N195-G199 WeakPolarHBondContact O-CA 3.47Å; N195-G199 PolarHBondContact O-N 3.5Å; G199-D201 PolarHBondContact O-N 3.41Å; G199-S202 VanDerWaalsContact O-CB 3.24Å; G199-S202 WeakPolarHBondContact O-CB 2.98Å; G199-S202 PolarHBondContact O-N 3.26Å; G199-V205 WeakPolarHBondContact O-CG2 3.38Å
200K88Confident86.4Confident143 Ų14353.2 Ų53.262%0.62229%0.287SS*.THydrogen-bonded Turntrans-52.9-29.7-173.366.7178.8-175.21770115.3
201D85.5Confident86.3Confident125 Ų12553.9 Ų53.967%0.66830%0.297SS*.THydrogen-bonded Turntrans-89.7-5.2-174.5-60.4-52.2000113.1G199G199-D201 PolarHBondContact O-N 3.41Å
202S82.8Confident86.2Confident30 Ų3053.3 Ų53.321%0.2129%0.294CS..SBendtrans-64.5144.8-179.5175.80000112.6G199 M204 V205 K206G199-S202 VanDerWaalsContact O-CB 3.24Å; G199-S202 WeakPolarHBondContact O-CB 2.98Å; G199-S202 PolarHBondContact O-N 3.26Å; S202-M204 PolarHBondContact O-N 2.85Å; S202-M204 WeakPolarHBondContact OG-CB 3.23Å; S202-M204 PolarHBondContact OG-N 2.67Å; S202-M204 VanDerWaalsContact OG-N 3.12Å; S202-V205 PolarHBondContact O-N 2.84Å; S202-K206 PolarHBondContact O-N 3.4Å
203S79.5Confident86.2Confident89 Ų8957.4 Ų57.462%0.62231%0.313SS*.Hα-helixtrans-58.5-28.9170.458.20000112.4K206 T207S203-K206 PolarHBondContact O-N 2.98Å; S203-T207 PolarHBondContact O-N 3.37Å; S203-T207 PolarHBondContact O-OG1 3.05Å
204M80.5Confident86.1Confident89 Ų8963.1 Ų63.144%0.43834%0.34SS..Hα-helixtrans-67.5-41.6178-161.362.867.600111.5V194 F198 S202 K206 T207 A208V194-M204 HydrophobicContact CG1-CB 4.05Å; V194-M204 HydrophobicContact CG1-CG 3.73Å; F198-M204 HydrophobicContact CD2-CB 4.24Å; F198-M204 HydrophobicContact CD2-CG 4.07Å; F198-M204 HydrophobicContact CE2-CG 4.09Å; F198-M204 HydrophobicContact CG-CB 4.29Å; S202-M204 PolarHBondContact O-N 2.85Å; S202-M204 WeakPolarHBondContact OG-CB 3.23Å; S202-M204 PolarHBondContact OG-N 2.67Å; S202-M204 VanDerWaalsContact OG-N 3.12Å; M204-K206 VanDerWaalsContact C-N 3.34Å; M204-K206 PolarHBondContact O-N 3.24Å; M204-T207 PolarHBondContact O-N 3.45Å; M204-A208 WeakPolarHBondContact O-CB 3.31Å; M204-A208 PolarHBondContact O-N 2.99Å
205V83.3Confident86.2Confident10 Ų1063.7 Ų63.76%0.06134%0.344CS..Hα-helixtrans-62.3-43.8174.7170.60000110.5V194 N195 G199 S202 T207 A208 Q209V194-V205 HydrophobicContact CG1-CB 4.48Å; V194-V205 HydrophobicContact CG1-CG2 3.81Å; N195-V205 HydrophobicContact CB-CG2 4.41Å; N195-V205 VanDerWaalsContact OD1-CG1 3.3Å; N195-V205 WeakPolarHBondContact OD1-CG1 3.32Å; G199-V205 WeakPolarHBondContact O-CG2 3.38Å; S202-V205 PolarHBondContact O-N 2.84Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3Å; V205-A208 PolarHBondContact O-N 3.26Å; V205-Q209 VanDerWaalsContact O-CB 3.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.38Å; V205-Q209 PolarHBondContact O-N 2.76Å
206K84.2Confident86.2Confident143 Ų14366.2 Ų66.262%0.62235%0.354SS*.Hα-helixtrans-60.2-41177.3-64.3177.3-176.1176.40112.1S202 S203 M204 S210S202-K206 PolarHBondContact O-N 3.4Å; S203-K206 PolarHBondContact O-N 2.98Å; M204-K206 VanDerWaalsContact C-N 3.34Å; M204-K206 PolarHBondContact O-N 3.24Å; K206-S210 WeakPolarHBondContact O-CB 3.24Å; K206-S210 PolarHBondContact O-N 3.23Å
207T81.6Confident86.2Confident90 Ų9069.2 Ų69.255%0.55238%0.379SS*.Hα-helixtrans-65.7-48.7177.3-530000110.9S203 M204 V205 Q209 S210 A211S203-T207 PolarHBondContact O-N 3.37Å; S203-T207 PolarHBondContact O-OG1 3.05Å; M204-T207 PolarHBondContact O-N 3.45Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3Å; T207-Q209 VanDerWaalsContact C-N 3.34Å; T207-Q209 PolarHBondContact O-N 3.21Å; T207-S210 PolarHBondContact O-N 3.1Å; T207-A211 PolarHBondContact O-N 3.44Å
208A83Confident86.3Confident19 Ų1970.3 Ų70.316%0.15739%0.386CS..Hα-helixtrans-61.9-39.5177.300000112.5L191 V194 M204 V205 A211 L212L191-A208 HydrophobicContact CD1-CB 3.81Å; V194-A208 HydrophobicContact CG1-CB 4.26Å; M204-A208 WeakPolarHBondContact O-CB 3.31Å; M204-A208 PolarHBondContact O-N 2.99Å; V205-A208 PolarHBondContact O-N 3.26Å; A208-A211 PolarHBondContact O-N 3.33Å; A208-L212 PolarHBondContact O-N 2.94Å
209Q91.5Very high86.5Confident74 Ų7466 Ų6635%0.34637%0.367SS..Hα-helixtrans-63.5-47.5175.6-174.169.151.600111L191 V205 T207 A211 L212 E213L191-Q209 HydrophobicContact CD1-CB 4.28Å; L191-Q209 VanDerWaalsContact CD2-OE1 3.27Å; V205-Q209 VanDerWaalsContact O-CB 3.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.38Å; V205-Q209 PolarHBondContact O-N 2.76Å; T207-Q209 VanDerWaalsContact C-N 3.34Å; T207-Q209 PolarHBondContact O-N 3.21Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 2.87Å; Q209-L212 PolarHBondContact O-N 3.23Å; Q209-E213 PolarHBondContact NE2-OE1 2.94Å; Q209-E213 VanDerWaalsContact NE2-OE1 3.13Å; Q209-E213 WeakPolarHBondContact O-CG 3.32Å; Q209-E213 PolarHBondContact O-N 3.46Å
210S89.1Confident86.6Confident78 Ų7869.1 Ų69.155%0.54538%0.384SS..Hα-helixtrans-58.5-43.6177.6-1690000111.4K206 T207 E213 E214K206-S210 WeakPolarHBondContact O-CB 3.24Å; K206-S210 PolarHBondContact O-N 3.23Å; T207-S210 PolarHBondContact O-N 3.1Å; S210-E213 PolarHBondContact O-N 2.99Å; S210-E214 PolarHBondContact O-N 3.38Å
211A86.1Confident86.5Confident46 Ų4665.2 Ų65.238%0.3838%0.375SS..Hα-helixtrans-64.1-43.2177.400000112.2T207 A208 Q209 E213 E214 V215T207-A211 PolarHBondContact O-N 3.44Å; A208-A211 PolarHBondContact O-N 3.33Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 2.87Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 3.41Å; A211-E214 PolarHBondContact O-N 2.9Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A211-V215 PolarHBondContact O-N 3.4Å
212L90.9Very high86.3Confident5 Ų567.2 Ų67.23%0.02637%0.374CS..Hα-helixtrans-62.5-41.4176.8178.163.2000111.7V187 E188 L191 A208 Q209 V215 K216V187-L212 HydrophobicContact CB-CD1 4.14Å; V187-L212 HydrophobicContact CG1-CD1 3.68Å; E188-L212 HydrophobicContact CG-CD1 4.3Å; E188-L212 HydrophobicContact CG-CD2 4.31Å; L191-L212 HydrophobicContact CB-CD2 4.46Å; L191-L212 HydrophobicContact CD2-CD2 3.44Å; L191-L212 VanDerWaalsContact CD2-CD2 3.44Å; A208-L212 PolarHBondContact O-N 2.94Å; Q209-L212 PolarHBondContact O-N 3.23Å; L212-V215 PolarHBondContact O-N 3.15Å; L212-K216 HydrophobicContact CD1-CG 4.48Å; L212-K216 HydrophobicContact CG-CD 4.35Å; L212-K216 WeakPolarHBondContact O-CG 3.48Å; L212-K216 PolarHBondContact O-N 3.24Å
213E92.2Very high86.3Confident88 Ų8872.4 Ų72.441%0.41139%0.394SS..Hα-helixtrans-67.8-36.1177.5-66.1-50.7130.300112.3Q209 S210 A211 K216 A217Q209-E213 PolarHBondContact NE2-OE1 2.94Å; Q209-E213 VanDerWaalsContact NE2-OE1 3.13Å; Q209-E213 WeakPolarHBondContact O-CG 3.32Å; Q209-E213 PolarHBondContact O-N 3.46Å; S210-E213 PolarHBondContact O-N 2.99Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 3.41Å; E213-K216 PolarHBondContact O-N 2.9Å; E213-K216 IonicContact OE1-NZ 2.84Å; E213-K216 PolarHBondContact OE1-NZ 3.48Å; E213-A217 VanDerWaalsContact O-CB 3.32Å; E213-A217 WeakPolarHBondContact O-CB 3.37Å; E213-A217 PolarHBondContact O-N 3.47Å
214E88.9Confident86.4Confident123 Ų12373.5 Ų73.558%0.57540%0.397SS*.Hα-helixtrans-63.5-43.3172.7-175.3176.6178.400112S210 A211 A217 T218S210-E214 PolarHBondContact O-N 3.38Å; A211-E214 PolarHBondContact O-N 2.9Å; E214-A217 PolarHBondContact O-N 3.49Å; E214-T218 WeakPolarHBondContact O-CB 3.29Å; E214-T218 PolarHBondContact O-N 3.2Å; E214-T218 PolarHBondContact O-OG1 3.43Å
215V88.6Confident85.6Confident31 Ų3171.8 Ų71.819%0.18840%0.402CS..Hα-helixtrans-62-47.1175.41720000110.8F183 L184 A211 L212 T218 I219F183-V215 HydrophobicContact CE1-CG1 3.71Å; F183-V215 HydrophobicContact CZ-CG1 4.41Å; L184-V215 HydrophobicContact CD2-CG1 3.72Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A211-V215 PolarHBondContact O-N 3.4Å; L212-V215 PolarHBondContact O-N 3.15Å; V215-T218 PolarHBondContact O-N 2.83Å; V215-I219 HydrophobicContact CG1-CD1 3.8Å; V215-I219 WeakPolarHBondContact O-CG1 3.45Å; V215-I219 PolarHBondContact O-N 3.44Å
216K90.9Very high83.6Confident67 Ų6776.7 Ų76.729%0.29144%0.438SS..Hα-helixtrans-59.5-47.9176.5-74.1172.9-176.6168.50111.8L184 L212 E213 T218 I219 T220L184-K216 HydrophobicContact CD2-CG 4.22Å; L212-K216 HydrophobicContact CD1-CG 4.48Å; L212-K216 HydrophobicContact CG-CD 4.35Å; L212-K216 WeakPolarHBondContact O-CG 3.48Å; L212-K216 PolarHBondContact O-N 3.24Å; E213-K216 PolarHBondContact O-N 2.9Å; E213-K216 IonicContact OE1-NZ 2.84Å; E213-K216 PolarHBondContact OE1-NZ 3.48Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 3.2Å; K216-I219 PolarHBondContact O-N 3.44Å; K216-T220 PolarHBondContact O-N 3.4Å; K216-T220 PolarHBondContact O-OG1 3.38Å; K216-T220 VanDerWaalsContact O-OG1 3.09Å
217A90.1Very high81.3Confident63 Ų6375 Ų7552%0.52144%0.443SS..Hα-helixtrans-60.2-41178.900000111.9E213 E214 T220 S221E213-A217 VanDerWaalsContact O-CB 3.32Å; E213-A217 WeakPolarHBondContact O-CB 3.37Å; E213-A217 PolarHBondContact O-N 3.47Å; E214-A217 PolarHBondContact O-N 3.49Å; A217-T220 PolarHBondContact O-N 3.42Å; A217-S221 PolarHBondContact O-N 3.43Å
218T88.1Confident79Confident52 Ų5277 Ų7732%0.31946%0.456SS..Hα-helixtrans-62-45.3176.5-58.70000111.2E214 V215 K216 S221 W222E214-T218 WeakPolarHBondContact O-CB 3.29Å; E214-T218 PolarHBondContact O-N 3.2Å; E214-T218 PolarHBondContact O-OG1 3.43Å; V215-T218 PolarHBondContact O-N 2.83Å; K216-T218 VanDerWaalsContact C-N 3.29Å; K216-T218 PolarHBondContact O-N 3.2Å; T218-S221 WeakPolarHBondContact O-CB 3.21Å; T218-S221 PolarHBondContact O-N 2.7Å; T218-S221 PolarHBondContact O-OG 2.8Å; T218-W222 HydrophobicContact CG2-CD2 4.31Å; T218-W222 HydrophobicContact CG2-CH2 3.61Å; T218-W222 HydrophobicContact CG2-CZ2 3.32Å; T218-W222 HydrophobicContact CG2-CZ3 4.2Å; T218-W222 PolarHBondContact O-N 3.01Å
219I86.8Confident76.4Confident11 Ų1183.8 Ų83.86%0.05649%0.489CS..Hα-helixtrans-63.8-45.9177.9-71.7161.6000111.5V180 F183 L184 V215 K216 S221 W222 E223V180-I219 HydrophobicContact CG1-CB 4.41Å; V180-I219 HydrophobicContact CG1-CD1 3.48Å; V180-I219 VanDerWaalsContact CG1-CD1 3.48Å; V180-I219 HydrophobicContact CG1-CG1 3.79Å; V180-I219 HydrophobicContact CG1-CG2 3.73Å; F183-I219 HydrophobicContact CD1-CD1 4.47Å; F183-I219 HydrophobicContact CE1-CD1 4.48Å; L184-I219 HydrophobicContact CD1-CD1 3.7Å; L184-I219 HydrophobicContact CD2-CD1 3.49Å; L184-I219 VanDerWaalsContact CD2-CD1 3.49Å; L184-I219 HydrophobicContact CG-CD1 3.49Å; L184-I219 VanDerWaalsContact CG-CD1 3.49Å; V215-I219 HydrophobicContact CG1-CD1 3.8Å; V215-I219 WeakPolarHBondContact O-CG1 3.45Å; V215-I219 PolarHBondContact O-N 3.44Å; K216-I219 PolarHBondContact O-N 3.44Å; I219-S221 VanDerWaalsContact C-N 3.26Å; I219-S221 PolarHBondContact O-N 3.45Å; I219-W222 PolarHBondContact O-N 2.91Å; I219-E223 HydrophobicContact CG2-CG 4.48Å; I219-E223 PolarHBondContact O-N 2.84Å; I219-E223 VanDerWaalsContact O-N 3.08Å
220T87.2Confident73.4Confident75 Ų7583.7 Ų83.746%0.4651%0.508SS..Hα-helixtrans-60.9-35.7177.1-55.40000112.1K216 A217 W222 E223 T224K216-T220 PolarHBondContact O-N 3.4Å; K216-T220 PolarHBondContact O-OG1 3.38Å; K216-T220 VanDerWaalsContact O-OG1 3.09Å; A217-T220 PolarHBondContact O-N 3.42Å; T220-W222 PolarHBondContact O-N 2.82Å; T220-E223 PolarHBondContact O-N 3.01Å; T220-T224 HydrophobicContact CG2-CG2 4.42Å; T220-T224 WeakPolarHBondContact O-CG2 3.23Å; T220-T224 PolarHBondContact O-N 3.43Å; T220-T224 VanDerWaalsContact O-N 3.08Å; T220-T224 PolarHBondContact O-OG1 3Å
221S86.3Confident70.4Confident61 Ų6184.7 Ų84.743%0.42752%0.521SS..Hα-helixtrans-62.7-31176.182.80000112.8A217 T218 I219 T224 G225A217-S221 PolarHBondContact O-N 3.43Å; T218-S221 WeakPolarHBondContact O-CB 3.21Å; T218-S221 PolarHBondContact O-N 2.7Å; T218-S221 PolarHBondContact O-OG 2.8Å; I219-S221 VanDerWaalsContact C-N 3.26Å; I219-S221 PolarHBondContact O-N 3.45Å; S221-T224 PolarHBondContact O-OG1 3.25Å; S221-G225 PolarHBondContact O-N 2.9Å
222W81.1Confident67.4Low168 Ų16891.5 Ų91.564%0.63655%0.545SS*.Hα-helixtrans-83.2-35.6178.8-61.1-21.6000112.9T218 I219 T220 G225T218-W222 HydrophobicContact CG2-CD2 4.31Å; T218-W222 HydrophobicContact CG2-CH2 3.61Å; T218-W222 HydrophobicContact CG2-CZ2 3.32Å; T218-W222 HydrophobicContact CG2-CZ3 4.2Å; T218-W222 PolarHBondContact O-N 3.01Å; I219-W222 PolarHBondContact O-N 2.91Å; T220-W222 PolarHBondContact O-N 2.82Å; W222-G225 PolarHBondContact O-N 3.38Å
223E83.4Confident64.5Low138 Ų138100.3 Ų100.365%0.64558%0.583SS**Hα-helixtrans-66.5-38.7175.8-69.6178.2162.400111.8I219 T220I219-E223 HydrophobicContact CG2-CG 4.48Å; I219-E223 PolarHBondContact O-N 2.84Å; I219-E223 VanDerWaalsContact O-N 3.08Å; T220-E223 PolarHBondContact O-N 3.01Å
224T81.7Confident61.2Low112 Ų112104.1 Ų104.169%0.68760%0.601SS**Hα-helixtrans-78.1-23.6176.953.20000113.3T220 S221T220-T224 HydrophobicContact CG2-CG2 4.42Å; T220-T224 WeakPolarHBondContact O-CG2 3.23Å; T220-T224 PolarHBondContact O-N 3.43Å; T220-T224 VanDerWaalsContact O-N 3.08Å; T220-T224 PolarHBondContact O-OG1 3Å; S221-T224 PolarHBondContact O-OG1 3.25Å
225G62.1Low58.1Low53 Ų53104.9 Ų104.955%0.54661%0.614SS.*THydrogen-bonded Turntrans-87.5-0.7-173.100000116.8S221 W222 S227S221-G225 PolarHBondContact O-N 2.9Å; W222-G225 PolarHBondContact O-N 3.38Å; G225-S227 PolarHBondContact O-N 3.37Å
226S41.4Very low55.2Low114 Ų114108 Ų10880%0.79764%0.643SS**  trans-82.759.8175.2-76.70000112.9
227S35.8Very low52Low106 Ų106112.7 Ų112.774%0.74167%0.672SS**  trans-157.2111.1146.8-152.60000108.4G225G225-S227 PolarHBondContact O-N 3.37Å
228V33.4Very low49Very low134 Ų134116.1 Ų116.181%0.81269%0.686SS**  trans147.6102.7144.21760000109
229D29Very low46.1Very low160 Ų160119.6 Ų119.686%0.85671%0.709SS**  trans-49.3139.8156.3-72.8-61.4000112.2
230G27.9Very low43Very low72 Ų72127 Ų12774%0.74275%0.746SS**  trans79.3107.4145.900000117.3
231A26.5Very low40.1Very low99 Ų99129.6 Ų129.682%0.81876%0.761SS**  169.5113.5109.800000111.4
232Q24.2Very low37.2Very low190 Ų190130.4 Ų130.489%0.88878%0.779SS**  trans6125.9141.4-63.4173.1-32.600119.3
233K28.1Very low34.4Very low189 Ų189132.3 Ų132.382%0.82279%0.792SS**  trans-166.7106.7132.6-113179.7173.2178.40108.9
234E24.1Very low31.7Very low168 Ų168137.4 Ų137.479%0.78581%0.805SS**  68105.698.5-75.1-173.7158.800114.8
235T23.6Very low28.9Very low139 Ų139139.3 Ų139.385%0.85381%0.811SS**  trans3.9121.6141.454.20000118.5
236A27.2Very low27Very low98 Ų98144.3 Ų144.381%0.8182%0.824SS**  trans-146131.214800000109.6
237D23.3Very low26.4Very low165 Ų165144.6 Ų144.688%0.88282%0.823SS**  trans-47.5141.4-179.2-84.7-61.4000115.2
238V28.7Very low25.9Very low135 Ų135145.1 Ų145.182%0.81883%0.827SS**  trans-101.4114.7167.9-179.40000108.6M240V238-M240 PolarHBondContact O-N 2.88Å
239P25.8Very low25.5Very low124 Ų124143 Ų14381%0.80582%0.824SS**  trans-74.5123.7178.3-13.829.3000111.5
240M21.3Very low25.7Very low168 Ų168141.4 Ų141.483%0.82882%0.822SS**  trans-86.8141173.6-113-86.9173.800111V238V238-M240 PolarHBondContact O-N 2.88Å
241T26.3Very low25.5Very low128 Ų128146 Ų14679%0.78583%0.829SS**  trans77103.7159.572.30000119.2
242G26.4Very low25.5Very low78 Ų78144.8 Ų144.880%0.80483%0.827SS**  trans-12975.8157.900000109.9R244G242-R244 PolarHBondContact O-N 3.49Å
243K22.7Very low25.7Very low208 Ų208143.7 Ų143.790%0.90482%0.823SS**  trans-56.9117.9162.1-89.2173.1172.4172.60107.9
244R25.6Very low25.5Very low245 Ų245141.5 Ų141.593%0.92582%0.821SS**  trans-118123.7166.3-115.7177-176.2147.41.1109.9G242G242-R244 PolarHBondContact O-N 3.49Å
245N22.7Very low25.7Very low153 Ų153137.2 Ų137.282%0.81882%0.822SS**PPolyproline II helixtrans-61.8145.2-174.8-79.7-29.6000113.4P247N245-P247 WeakPolarHBondContact O-CD 3.39Å
246I23.5Very low25.7Very low157 Ų157142.1 Ų142.181%0.80583%0.825SS**PPolyproline II helixtrans-68.8126.8161.2-61.9168.5000108.5
247P27.4Very low25.7Very low120 Ų120142.8 Ų142.878%0.77982%0.823SS**PPolyproline II helixtrans-81.8132.9165.5-13.830.9000111.6N245N245-P247 WeakPolarHBondContact O-CD 3.39Å
248S25.6Very low25.8Very low118 Ų118142.9 Ų142.983%0.82582%0.824SS**PPolyproline II helixtrans-63.6150.8177.9-50.80000114.1
249A25.9Very low25.9Very low90 Ų90140.7 Ų140.774%0.74482%0.82SS**PPolyproline II helixtrans-64.9156.4170.600000113.1
250P31.9Very low25.9Very low126 Ų126141 Ų14182%0.81883%0.825SS**PPolyproline II helixtrans-90.7134.7164.431-23000112.3
251D24.7Very low26.4Very low168 Ų168139 Ų13990%0.89882%0.822SS**PPolyproline II helixtrans-59.3153.4165.7-69.9-58.8000113.2
252G27Very low26.5Very low74 Ų74139.8 Ų139.876%0.76383%0.826SS**  trans177.766.3173.200000117.3
253M26.8Very low26.7Very low166 Ų166141.5 Ų141.582%0.81882%0.817SS**  trans53119.4138.7-67.8-144.9150.200123.7
254D24.6Very low27.2Very low143 Ų143139.8 Ų139.877%0.76581%0.814SS**  58.9123.5116.8-55.5-26.7000122.2
255G28.5Very low27.6Very low79 Ų79135.2 Ų135.281%0.81480%0.804SS**  trans-175.153.5171.300000115.6
256R23.1Very low28Very low242 Ų242131.6 Ų131.691%0.91379%0.794SS**  trans3.8125.9147.3-173.9178.9-168.7177.33.1117.9
257S28.4Very low28.4Very low111 Ų111132.2 Ų132.278%0.77680%0.799SS**  176.6122.8111.456.20000114.2
258N25Very low28.4Very low168 Ų168131.9 Ų131.990%0.89880%0.795SS**  trans-9.9124.1154.2-79.2-6.8000118.3
259A31Very low28.5Very low89 Ų89133.5 Ų133.574%0.73679%0.793SS**  trans-148.6113.6131.500000108.5V261A259-V261 PolarHBondContact O-N 2.9Å
260S25.4Very low28.5Very low130 Ų130138 Ų13891%0.90980%0.799SS**  trans-65.897.5174.649.20000109.8
261V30.8Very low28.6Very low126 Ų126137.9 Ų137.976%0.76480%0.796SS**  trans-112.2130.4164.8-178.50000107.4A259 N263A259-V261 PolarHBondContact O-N 2.9Å; V261-N263 PolarHBondContact O-N 3.38Å
262V30.4Very low28.8Very low144 Ų144135.8 Ų135.887%0.87379%0.789SS**  trans-48.1119.3-170.9-147.60000110.8M264V262-M264 PolarHBondContact O-N 3.45Å
263N29Very low29Very low114 Ų114137.2 Ų137.261%0.6179%0.794SS**  trans-72.991.6-178.7-167.57.4000110V261 E265V261-N263 PolarHBondContact O-N 3.38Å; N263-E265 PolarHBondContact ND2-OE2 3.39Å; N263-E265 PolarHBondContact O-N 2.86Å; N263-E265 WeakPolarHBondContact OD1-CB 3.31Å; N263-E265 WeakPolarHBondContact OD1-CG 3.47Å; N263-E265 PolarHBondContact OD1-N 2.8Å; N263-E265 PolarHBondContact OD1-OE2 2.84Å
264M34.7Very low29.4Very low172 Ų172137.6 Ų137.685%0.84780%0.798SS**  trans-87.771155.7-95.4-150.2-82.500108.4V262V262-M264 PolarHBondContact O-N 3.45Å
265E33.3Very low29.7Very low150 Ų150133.8 Ų133.870%0.70179%0.793SS**  trans-90.9142.1161.5-90.3167.917000109.8N263N263-E265 PolarHBondContact ND2-OE2 3.39Å; N263-E265 PolarHBondContact O-N 2.86Å; N263-E265 WeakPolarHBondContact OD1-CB 3.31Å; N263-E265 WeakPolarHBondContact OD1-CG 3.47Å; N263-E265 PolarHBondContact OD1-N 2.8Å; N263-E265 PolarHBondContact OD1-OE2 2.84Å
266A31.9Very low29.8Very low76 Ų76138.1 Ų138.163%0.62880%0.797SS**  trans73.567.6167.200000117.1T268A266-T268 PolarHBondContact O-N 3.29Å
267L30.3Very low30.5Very low171 Ų171136.4 Ų136.490%0.89579%0.791SS**  -70.179.4128.1-111.789.6000107L269L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 PolarHBondContact O-N 3.07Å
268T28.1Very low30.8Very low113 Ų113136.6 Ų136.669%0.69379%0.789SS**  trans-57.3101.2158.519.80000106.4A266 Q270A266-T268 PolarHBondContact O-N 3.29Å; T268-Q270 VanDerWaalsContact C-N 3.29Å; T268-Q270 PolarHBondContact O-N 3.41Å
269L28.1Very low31.3Very low151 Ų151135.7 Ų135.779%0.79179%0.79SS**  trans-54.4104.2160-76.5162.7000105.8L267 T271L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 PolarHBondContact O-N 3.07Å; L269-T271 PolarHBondContact O-N 2.95Å
270Q26.5Very low31.4Very low185 Ų185133.5 Ų133.586%0.86478%0.776SS**  trans-62.385.3162.7-73.5177.7-7.100105.9T268 T272T268-Q270 VanDerWaalsContact C-N 3.29Å; T268-Q270 PolarHBondContact O-N 3.41Å; Q270-T272 VanDerWaalsContact C-N 3.32Å; Q270-T272 PolarHBondContact O-N 3.23Å; Q270-T272 VanDerWaalsContact O-N 3.08Å
271T32.9Very low31.8Very low123 Ų123133 Ų13376%0.75577%0.77SS**  trans-67.9103.816140.20000104.5L269 A273L269-T271 PolarHBondContact O-N 2.95Å; T271-A273 PolarHBondContact O-N 2.89Å
272T29Very low32Very low124 Ų124132.4 Ų132.476%0.76177%0.766SS**  trans-47.6124.4167.239.90000107.3Q270 L274Q270-T272 VanDerWaalsContact C-N 3.32Å; Q270-T272 PolarHBondContact O-N 3.23Å; Q270-T272 VanDerWaalsContact O-N 3.08Å; T272-L274 PolarHBondContact O-N 3.36Å
273A32.1Very low31.9Very low104 Ų104133.2 Ų133.286%0.8676%0.758SS**  trans-49.4100.1179.600000109.5T271 G275T271-A273 PolarHBondContact O-N 2.89Å; A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 2.8Å
274L33.8Very low32.6Very low174 Ų174135.4 Ų135.491%0.91176%0.759SS**  trans-72.893166.2-90.3162.1000106T272T272-L274 PolarHBondContact O-N 3.36Å
275G30.6Very low32.7Very low63 Ų63132.3 Ų132.365%0.64975%0.746SS**  trans44.6108.4155.200000116A273 R277A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 2.8Å; G275-R277 PolarHBondContact O-N 3.07Å
276D31.2Very low33.1Very low170 Ų170132 Ų13291%0.90974%0.743SS**  trans-36.8109.5162.4-74.4-43.5000110.8
277R39Very low33.4Very low206 Ų206134.5 Ų134.578%0.77774%0.744SS**  trans-63.2132.8171.9-173.3176.8179.2-160-2.4106.7G275 T279G275-R277 PolarHBondContact O-N 3.07Å; R277-T279 PolarHBondContact O-N 3.46Å
278P33Very low33.6Very low115 Ų115132 Ų13275%0.74773%0.732SS**  trans-59.5113.2-179.7-1828.9000109.3G280P278-G280 PolarHBondContact O-N 2.91Å
279T37Very low34Very low149 Ų149134.6 Ų134.691%0.91474%0.736SS**  trans-81.116.8172.848.90000112.2R277R277-T279 PolarHBondContact O-N 3.46Å
280G31.8Very low34.6Very low43 Ų43134 Ų13444%0.44373%0.732SS.*SBendtrans-86.4138.217200000110.4P278 V282P278-G280 PolarHBondContact O-N 2.91Å; G280-V282 PolarHBondContact O-N 2.87Å; G280-V282 VanDerWaalsContact O-N 3.12Å
281P33.6Very low35Very low119 Ų119130.1 Ų130.177%0.77372%0.722SS**  trans-55.8122.9167.523.6-30.3000107.8K283P281-K283 VanDerWaalsContact C-N 3.27Å; P281-K283 PolarHBondContact O-N 3.33Å
282V36.3Very low35.1Very low114 Ų114129.9 Ų129.969%0.69172%0.724SS**  trans-62.996.3171.2-179.70000106.1G280 Y284G280-V282 PolarHBondContact O-N 2.87Å; G280-V282 VanDerWaalsContact O-N 3.12Å; V282-Y284 HydrophobicContact CB-CE2 4.34Å; V282-Y284 HydrophobicContact CG1-CD2 4.14Å; V282-Y284 HydrophobicContact CG1-CE2 3.82Å; V282-Y284 PolarHBondContact O-N 2.86Å
283K27.2Very low35.2Very low162 Ų162132.3 Ų132.370%0.70473%0.726SS**  trans-69109.2170.1-81.2-171.6171.7-169.40106.6P281 D285P281-K283 VanDerWaalsContact C-N 3.27Å; P281-K283 PolarHBondContact O-N 3.33Å; K283-D285 PolarHBondContact O-N 2.85Å; K283-D285 VanDerWaalsContact O-N 3.17Å
284Y44.3Very low35.6Very low160 Ų160132.7 Ų132.763%0.62772%0.72SS**  trans-76.395.4164.3-74.4-91.8000106.5V282 F286 I287V282-Y284 HydrophobicContact CB-CE2 4.34Å; V282-Y284 HydrophobicContact CG1-CD2 4.14Å; V282-Y284 HydrophobicContact CG1-CE2 3.82Å; V282-Y284 PolarHBondContact O-N 2.86Å; Y284-F286 PolarHBondContact O-N 3.25Å; Y284-I287 PolarHBondContact O-N 2.83Å
285D37.3Very low35.5Very low107 Ų107131.3 Ų131.357%0.57271%0.712SS**THydrogen-bonded Turntrans-59.6-0.5177.3-70.9-26.3000113.6K283 I287K283-D285 PolarHBondContact O-N 2.85Å; K283-D285 VanDerWaalsContact O-N 3.17Å; D285-I287 VanDerWaalsContact C-N 3.34Å
286F41.9Very low35.6Very low144 Ų144135.8 Ų135.863%0.63272%0.719SS**THydrogen-bonded Turntrans-70.6-26176.1-160.7-106.3000113.3Y284Y284-F286 PolarHBondContact O-N 3.25Å
287I37.7Very low35.6Very low127 Ų127133.5 Ų133.565%0.65172%0.716SS**THydrogen-bonded Turntrans-80.4-31.4-177.6-61.4178.7000111.9Y284 D285 Q289Y284-I287 PolarHBondContact O-N 2.83Å; D285-I287 VanDerWaalsContact C-N 3.34Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 3.26Å
288D35.3Very low35.4Very low120 Ų120130 Ų13064%0.64271%0.711SS**G310 helixtrans-78.6-14.1-177.3-84.9-17.2000113.8L290D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 3.26Å
289Q35.3Very low35.3Very low166 Ų166132.1 Ų132.178%0.77672%0.716SS**G310 helixtrans-81.8-0.4177.4-71.2-176.620.600114.2I287 T291I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 3.26Å; Q289-T291 VanDerWaalsContact C-N 3.33Å
290L40.1Very low35.4Very low138 Ų138131 Ų13172%0.72371%0.709SS**G310 helixtrans-90.210.5177.3-80.9145.3000113.9D288 C292D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 3.26Å; L290-C292 PolarHBondContact O-N 3.47Å
291T35.2Very low35.7Very low105 Ų105133.3 Ų133.364%0.64472%0.723SS**SBendtrans-69.984.5167.159.20000110.2Q289 H293Q289-T291 VanDerWaalsContact C-N 3.33Å; T291-H293 PolarHBondContact O-N 3.42Å
292C34.8Very low35.7Very low117 Ų117138 Ų13879%0.79173%0.732SS**  trans2879.6151.537.80000116L290 P294L290-C292 PolarHBondContact O-N 3.47Å; C292-P294 WeakPolarHBondContact O-CD 3.15Å
293H30.9Very low35.8Very low175 Ų175135.6 Ų135.681%0.8173%0.73SS**  trans-78.2123161.5-129.8-81000109.8T291 L295T291-H293 PolarHBondContact O-N 3.42Å; H293-L295 PolarHBondContact O-N 3.4Å
294P42.1Very low36.7Very low112 Ų112134.5 Ų134.573%0.72774%0.743SS**  trans-86.988.6-176.730.8-27.7000110.5C292C292-P294 WeakPolarHBondContact O-CD 3.15Å
295L30.8Very low36.7Very low145 Ų145129.3 Ų129.376%0.75974%0.738SS**  trans-130.487.8160.9-85.2171.6000108.3H293H293-L295 PolarHBondContact O-N 3.4Å
296M32.6Very low37.1Very low158 Ų158128.2 Ų128.278%0.77875%0.752SS**  trans173.485.1136-86.7-49.7148.900107I298M296-I298 PolarHBondContact O-N 3.44Å
297S31.4Very low38Very low121 Ų121130.8 Ų130.885%0.84676%0.763SS**  trans-6981.4165.3-61.10000108.8
298I34.1Very low39.3Very low132 Ų132128.8 Ų128.868%0.67776%0.759SS**  trans-90105.2164-61.4179.4000106.9M296 V300M296-I298 PolarHBondContact O-N 3.44Å; I298-V300 HydrophobicContact CG2-CG2 4.17Å; I298-V300 PolarHBondContact O-N 2.88Å
299N31.7Very low41.4Very low161 Ų161128.1 Ų128.186%0.86176%0.756SS**  trans-54.599.6169.7-76.4-38.8000109.6
300V38.3Very low43.3Very low126 Ų126123.2 Ų123.276%0.76474%0.739SS**  trans-108.9115.1162.7-179.10000108.5I298I298-V300 HydrophobicContact CG2-CG2 4.17Å; I298-V300 PolarHBondContact O-N 2.88Å
301A38.3Very low45.1Very low90 Ų90120.2 Ų120.274%0.74473%0.734SS**  trans-57.4155-178.700000113.1G303A301-G303 PolarHBondContact O-N 2.89Å; A301-G303 VanDerWaalsContact O-N 3.09Å
302K34.6Very low47.4Very low218 Ų218120.4 Ų120.495%0.94873%0.728SS**  trans-50.6104.1177.7-67.7169.4173.9175.10111.9
303G38.6Very low49.7Very low64 Ų64123.7 Ų123.766%0.6672%0.723SS**  trans-113.7115.9154.700000108.1A301 G305A301-G303 PolarHBondContact O-N 2.89Å; A301-G303 VanDerWaalsContact O-N 3.09Å; G303-G305 PolarHBondContact O-N 3.46Å
304S44.6Very low51.9Low138 Ų138123 Ų12397%0.96571%0.714SS**  trans-70.172.2171.655.60000109.9
305G44.4Very low53.7Low51 Ų51123.6 Ų123.653%0.52671%0.705SS.*  trans-124.8113.6162.900000105.1G303 K307G303-G305 PolarHBondContact O-N 3.46Å; G305-K307 VanDerWaalsContact C-N 3.34Å; G305-K307 PolarHBondContact O-N 2.96Å
306G47.4Very low56.2Low84 Ų84122 Ų12287%0.86669%0.693SS**  trans-52.7103.8173.600000107.6C308G306-C308 PolarHBondContact O-N 2.77Å
307K59.8Low58.8Low198 Ų198120.6 Ų120.686%0.86168%0.68SS**  trans-55.8117.7-177.5-75.3178.3177.6177.60106.2G305 N309G305-K307 VanDerWaalsContact C-N 3.34Å; G305-K307 PolarHBondContact O-N 2.96Å; K307-N309 PolarHBondContact O-N 3.03Å
308C64.8Low61.5Low86 Ų86119.9 Ų119.958%0.58167%0.666SS**  trans-53.1131176.4-178.90000108.1G306 C310G306-C308 PolarHBondContact O-N 2.77Å; C308-C310 HydrophobicContact CB-CB 3.97Å; C308-C310 WeakPolarHBondContact CB-SG 3.31Å; C308-C310 PolarHBondContact O-N 3.09Å; C308-C310 WeakPolarHBondContact SG-CB 3.48Å; C308-C310 PolarHBondContact SG-N 3.33Å; C308-C310 CovalentContact SG-SG 2.05Å; C308-C310 PolarHBondContact SG-SG 2.71Å
309N78.6Confident64Low106 Ų106116.5 Ų116.557%0.56765%0.649SS**THydrogen-bonded Turntrans-67.38.5173.5-162.223.7000112.9K307 A311 Q312 R313K307-N309 PolarHBondContact O-N 3.03Å; N309-A311 PolarHBondContact O-N 3.41Å; N309-Q312 PolarHBondContact O-N 2.81Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.47Å; N309-R313 WeakPolarHBondContact O-CG 3.34Å; N309-R313 PolarHBondContact O-N 3.21Å
310C77Confident66.8Low63 Ų63110.5 Ų110.543%0.42662%0.619SS.*Hα-helixtrans-51.3-49.5-179.2-64.80000112C308 Q312 R313 W314C308-C310 HydrophobicContact CB-CB 3.97Å; C308-C310 WeakPolarHBondContact CB-SG 3.31Å; C308-C310 PolarHBondContact O-N 3.09Å; C308-C310 WeakPolarHBondContact SG-CB 3.48Å; C308-C310 PolarHBondContact SG-N 3.33Å; C308-C310 CovalentContact SG-SG 2.05Å; C308-C310 PolarHBondContact SG-SG 2.71Å; C310-Q312 PolarHBondContact O-N 3.29Å; C310-R313 PolarHBondContact O-N 3.12Å; C310-W314 PolarHBondContact O-N 3.17Å
311A78Confident69.2Low75 Ų75106.9 Ų106.962%0.6260%0.596SS**Hα-helixtrans-63.2-41-177.700000112.9N309 W314 K315N309-A311 PolarHBondContact O-N 3.41Å; A311-W314 PolarHBondContact O-N 3.05Å; A311-K315 WeakPolarHBondContact O-CB 3.36Å; A311-K315 PolarHBondContact O-N 2.91Å
312Q81.6Confident71.5Confident108 Ų108105.2 Ų105.251%0.50558%0.581SS.*Hα-helixtrans-69.5-37175.9-168.770.9-1.100111.5N309 C310 K315 Q316N309-Q312 PolarHBondContact O-N 2.81Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.47Å; C310-Q312 PolarHBondContact O-N 3.29Å; Q312-K315 PolarHBondContact O-N 3.38Å; Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 PolarHBondContact O-N 3.02Å
313R83.2Confident74.1Confident186 Ų186100.3 Ų100.370%0.70256%0.562SS**Hα-helixtrans-63.6-41.8173.7-72-179.373.9171.23.6111.7N309 C310 Q316 Y317N309-R313 WeakPolarHBondContact O-CG 3.34Å; N309-R313 PolarHBondContact O-N 3.21Å; C310-R313 PolarHBondContact O-N 3.12Å; R313-Q316 PolarHBondContact O-N 3.4Å; R313-Y317 WeakPolarHBondContact O-CB 3.39Å; R313-Y317 PolarHBondContact O-N 3.25Å
314W77.6Confident76.5Confident161 Ų161102.2 Ų102.261%0.6155%0.554SS**Hα-helixtrans-61.7-48173.3-81.9116.1000112C310 A311 Q316 Y317 I318C310-W314 PolarHBondContact O-N 3.17Å; A311-W314 PolarHBondContact O-N 3.05Å; W314-Q316 VanDerWaalsContact C-N 3.3Å; W314-Q316 PolarHBondContact O-N 3.22Å; W314-Y317 HydrophobicContact CZ3-CD1 4.43Å; W314-Y317 PolarHBondContact O-N 3.44Å; W314-I318 WeakPolarHBondContact O-CG1 3.46Å; W314-I318 PolarHBondContact O-N 3.25Å
315K81.2Confident78.5Confident124 Ų124103.6 Ų103.654%0.53954%0.538SS..Hα-helixtrans-53.9-48.6174.3-177.8-179.7178.5179.30111.2A311 Q312 Y317 I318 I319A311-K315 WeakPolarHBondContact O-CB 3.36Å; A311-K315 PolarHBondContact O-N 2.91Å; Q312-K315 PolarHBondContact O-N 3.38Å; K315-Y317 PolarHBondContact O-N 3.04Å; K315-I318 PolarHBondContact O-N 2.88Å; K315-I319 HydrophobicContact CG-CD1 3.89Å; K315-I319 VanDerWaalsContact O-CG1 3.25Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.37Å
316Q82.5Confident80.6Confident111 Ų111106 Ų10652%0.51954%0.536SS..Hα-helixtrans-65-38.7179.6-1696252.900112.5Q312 R313 W314 S320Q312-Q316 WeakPolarHBondContact O-CB 3.47Å; Q312-Q316 PolarHBondContact O-N 3.02Å; R313-Q316 PolarHBondContact O-N 3.4Å; W314-Q316 VanDerWaalsContact C-N 3.3Å; W314-Q316 PolarHBondContact O-N 3.22Å; Q316-S320 WeakPolarHBondContact O-CB 3.23Å; Q316-S320 PolarHBondContact O-N 3.28Å; Q316-S320 PolarHBondContact O-OG 2.91Å
317Y88Confident82.6Confident129 Ų129107.3 Ų107.351%0.50652%0.52SS..Hα-helixtrans-66.3-45.3178.5-174-108.8000111.9R313 W314 K315 S320 L321R313-Y317 WeakPolarHBondContact O-CB 3.39Å; R313-Y317 PolarHBondContact O-N 3.25Å; W314-Y317 HydrophobicContact CZ3-CD1 4.43Å; W314-Y317 PolarHBondContact O-N 3.44Å; K315-Y317 PolarHBondContact O-N 3.04Å; Y317-S320 WeakPolarHBondContact CA-OG 3.43Å; Y317-S320 PolarHBondContact O-N 2.9Å; Y317-S320 PolarHBondContact O-OG 3.05Å; Y317-L321 HydrophobicContact CD1-CD1 3.8Å; Y317-L321 HydrophobicContact CD1-CG 4.43Å; Y317-L321 HydrophobicContact CE1-CD1 3.3Å; Y317-L321 HydrophobicContact CE1-CG 4.09Å; Y317-L321 HydrophobicContact CE2-CG 4.48Å; Y317-L321 PolarHBondContact O-N 2.63Å
318I87Confident84Confident106 Ų106103.1 Ų103.154%0.54451%0.505SS..Hα-helixtrans-62-45.7176.5-66.8168.2000110.7W314 K315 S320 L321 A322W314-I318 WeakPolarHBondContact O-CG1 3.46Å; W314-I318 PolarHBondContact O-N 3.25Å; K315-I318 PolarHBondContact O-N 2.88Å; I318-S320 VanDerWaalsContact C-N 3.32Å; I318-S320 PolarHBondContact O-N 2.88Å; I318-L321 PolarHBondContact O-N 2.74Å; I318-A322 WeakPolarHBondContact O-CB 3.46Å; I318-A322 PolarHBondContact O-N 2.77Å
319I86.6Confident85.2Confident62 Ų62104.8 Ų104.832%0.31850%0.503SS..Hα-helixtrans-58.2-47175-68.9168.3000110K315 L321 A322 E323K315-I319 HydrophobicContact CG-CD1 3.89Å; K315-I319 VanDerWaalsContact O-CG1 3.25Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.37Å; I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 PolarHBondContact O-N 3.41Å; I319-A322 PolarHBondContact O-N 3.47Å; I319-E323 HydrophobicContact CG2-CG 4.31Å; I319-E323 WeakPolarHBondContact O-CB 3.3Å; I319-E323 WeakPolarHBondContact O-CG 3.45Å; I319-E323 PolarHBondContact O-N 3.49Å
320S89.6Confident85.6Confident34 Ų34104.4 Ų104.424%0.23850%0.496CS..Hα-helixtrans-63.6-35.9-179.969.50000113.4Q316 Y317 I318 Q324Q316-S320 WeakPolarHBondContact O-CB 3.23Å; Q316-S320 PolarHBondContact O-N 3.28Å; Q316-S320 PolarHBondContact O-OG 2.91Å; Y317-S320 WeakPolarHBondContact CA-OG 3.43Å; Y317-S320 PolarHBondContact O-N 2.9Å; Y317-S320 PolarHBondContact O-OG 3.05Å; I318-S320 VanDerWaalsContact C-N 3.32Å; I318-S320 PolarHBondContact O-N 2.88Å; S320-Q324 WeakPolarHBondContact O-CB 3.3Å; S320-Q324 VanDerWaalsContact O-CG 3.24Å; S320-Q324 WeakPolarHBondContact O-CG 3.41Å; S320-Q324 PolarHBondContact O-N 2.96Å
321L88.8Confident86.2Confident51 Ų51105.8 Ų105.827%0.26750%0.499SS..Hα-helixtrans-70.1-43.4174.9-77.1176.6000111.5Y317 I318 I319 E323 Q324 W325Y317-L321 HydrophobicContact CD1-CD1 3.8Å; Y317-L321 HydrophobicContact CD1-CG 4.43Å; Y317-L321 HydrophobicContact CE1-CD1 3.3Å; Y317-L321 HydrophobicContact CE1-CG 4.09Å; Y317-L321 HydrophobicContact CE2-CG 4.48Å; Y317-L321 PolarHBondContact O-N 2.63Å; I318-L321 PolarHBondContact O-N 2.74Å; I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 PolarHBondContact O-N 3.41Å; L321-E323 VanDerWaalsContact C-N 3.35Å; L321-E323 PolarHBondContact O-N 3.36Å; L321-Q324 PolarHBondContact O-N 2.91Å; L321-W325 PolarHBondContact O-N 3.45Å
322A87.2Confident86.8Confident54 Ų54106.6 Ų106.645%0.44649%0.493SS..Hα-helixtrans-61.5-43.4176.600000111.5I318 I319 W325 Q326I318-A322 WeakPolarHBondContact O-CB 3.46Å; I318-A322 PolarHBondContact O-N 2.77Å; I319-A322 PolarHBondContact O-N 3.47Å; A322-W325 PolarHBondContact O-N 2.88Å; A322-Q326 VanDerWaalsContact O-CB 3.29Å; A322-Q326 WeakPolarHBondContact O-CB 3.39Å; A322-Q326 PolarHBondContact O-N 3.18Å
323E90.2Very high87Confident115 Ų115104.9 Ų104.954%0.53749%0.487SS..Hα-helixtrans-62.1-43.8174.1-73.5174.3163.700111.8I319 L321 Q326 M327I319-E323 HydrophobicContact CG2-CG 4.31Å; I319-E323 WeakPolarHBondContact O-CB 3.3Å; I319-E323 WeakPolarHBondContact O-CG 3.45Å; I319-E323 PolarHBondContact O-N 3.49Å; L321-E323 VanDerWaalsContact C-N 3.35Å; L321-E323 PolarHBondContact O-N 3.36Å; E323-Q326 PolarHBondContact O-N 3.42Å; E323-M327 WeakPolarHBondContact O-CB 3.4Å; E323-M327 PolarHBondContact O-N 3.1Å
324Q87.8Confident87.2Confident105 Ų105101.6 Ų101.649%0.49148%0.48SS..Hα-helixtrans-61-45.4175.8-80177.6-6.800111.9S320 L321 M327 M328S320-Q324 WeakPolarHBondContact O-CB 3.3Å; S320-Q324 VanDerWaalsContact O-CG 3.24Å; S320-Q324 WeakPolarHBondContact O-CG 3.41Å; S320-Q324 PolarHBondContact O-N 2.96Å; L321-Q324 PolarHBondContact O-N 2.91Å; Q324-M327 PolarHBondContact O-N 3.3Å; Q324-M328 WeakPolarHBondContact O-CB 3.43Å; Q324-M328 WeakPolarHBondContact O-CG 3.46Å; Q324-M328 PolarHBondContact O-N 3.39Å
325W86.5Confident87.8Confident166 Ų16699.4 Ų99.463%0.62948%0.475SS*.Hα-helixtrans-65.8-41.3177-71.31.7000112.2L321 A322 M327 M328 F329L321-W325 PolarHBondContact O-N 3.45Å; A322-W325 PolarHBondContact O-N 2.88Å; W325-M327 VanDerWaalsContact C-N 3.3Å; W325-M327 PolarHBondContact O-N 2.97Å; W325-M328 PolarHBondContact O-N 2.9Å; W325-F329 WeakPolarHBondContact O-CB 3.39Å; W325-F329 PolarHBondContact O-N 3.12Å
326Q89.6Confident88Confident102 Ų10297.3 Ų97.348%0.47748%0.475SS..Hα-helixtrans-64-39.2177.4-167.3-175.516.400111.2A322 E323 K330A322-Q326 VanDerWaalsContact O-CB 3.29Å; A322-Q326 WeakPolarHBondContact O-CB 3.39Å; A322-Q326 PolarHBondContact O-N 3.18Å; E323-Q326 PolarHBondContact O-N 3.42Å; Q326-K330 HydrophobicContact CG-CD 4.43Å; Q326-K330 WeakPolarHBondContact O-CB 3.49Å; Q326-K330 VanDerWaalsContact O-CG 3.24Å; Q326-K330 WeakPolarHBondContact O-CG 3.39Å; Q326-K330 PolarHBondContact O-N 2.92Å
327M89.8Confident88.3Confident111 Ų11198 Ų9855%0.54747%0.474SS..Hα-helixtrans-65.8-49.9174.8-173.2179.570.900111.1E323 Q324 W325 F329 K330 D331E323-M327 WeakPolarHBondContact O-CB 3.4Å; E323-M327 PolarHBondContact O-N 3.1Å; Q324-M327 PolarHBondContact O-N 3.3Å; W325-M327 VanDerWaalsContact C-N 3.3Å; W325-M327 PolarHBondContact O-N 2.97Å; M327-F329 VanDerWaalsContact C-N 3.33Å; M327-F329 PolarHBondContact O-N 2.67Å; M327-K330 PolarHBondContact O-N 3.07Å; M327-D331 PolarHBondContact O-N 3.37Å
328M88.7Confident88.3Confident110 Ų11094.3 Ų94.354%0.54246%0.464SS..Hα-helixtrans-59-43.4177.2-74.4179.956.700112.2Q324 W325 D331 D332Q324-M328 WeakPolarHBondContact O-CB 3.43Å; Q324-M328 WeakPolarHBondContact O-CG 3.46Å; Q324-M328 PolarHBondContact O-N 3.39Å; W325-M328 PolarHBondContact O-N 2.9Å; M328-D331 PolarHBondContact O-N 3.41Å; M328-D332 WeakPolarHBondContact O-CB 3.45Å; M328-D332 PolarHBondContact O-N 2.9Å
329F89.9Confident88.4Confident122 Ų12292.9 Ų92.954%0.53546%0.455SS..Hα-helixtrans-63.5-42.7176.7179.9-96.1000111.9W325 M327 D332 L333W325-F329 WeakPolarHBondContact O-CB 3.39Å; W325-F329 PolarHBondContact O-N 3.12Å; M327-F329 VanDerWaalsContact C-N 3.33Å; M327-F329 PolarHBondContact O-N 2.67Å; F329-D332 PolarHBondContact O-N 3.31Å; F329-L333 HydrophobicContact CZ-CD1 4.36Å; F329-L333 WeakPolarHBondContact O-CB 3.45Å; F329-L333 PolarHBondContact O-N 3.35Å
330K87.6Confident88.4Confident97 Ų9794.1 Ų94.142%0.42246%0.462SS..Hα-helixtrans-63.2-43.8175.8-78.7173.3-178.4171.20111.6Q326 M327 L333 E334Q326-K330 HydrophobicContact CG-CD 4.43Å; Q326-K330 WeakPolarHBondContact O-CB 3.49Å; Q326-K330 VanDerWaalsContact O-CG 3.24Å; Q326-K330 WeakPolarHBondContact O-CG 3.39Å; Q326-K330 PolarHBondContact O-N 2.92Å; M327-K330 PolarHBondContact O-N 3.07Å; K330-L333 PolarHBondContact O-N 3.12Å; K330-E334 WeakPolarHBondContact O-CB 3.19Å; K330-E334 PolarHBondContact O-N 2.89Å
331D89.2Confident88.4Confident92 Ų9298.3 Ų98.349%0.49247%0.473SS..Hα-helixtrans-63.6-45.7177.9-77.4-0.4000111.1M327 M328 E334 K335M327-D331 PolarHBondContact O-N 3.37Å; M328-D331 PolarHBondContact O-N 3.41Å; D331-E334 PolarHBondContact O-N 3.15Å; D331-K335 VanDerWaalsContact O-CB 3.25Å; D331-K335 WeakPolarHBondContact O-CB 3.35Å; D331-K335 PolarHBondContact O-N 3.4Å
332D90.1Very high88.5Confident92 Ų92101.1 Ų101.149%0.49249%0.485SS..Hα-helixtrans-65.5-39.8177-80-21.1000111.9M328 F329 K335 C336M328-D332 WeakPolarHBondContact O-CB 3.45Å; M328-D332 PolarHBondContact O-N 2.9Å; F329-D332 PolarHBondContact O-N 3.31Å; D332-K335 PolarHBondContact O-N 3.28Å; D332-C336 WeakPolarHBondContact O-CB 3.24Å; D332-C336 PolarHBondContact O-N 2.94Å; D332-C336 PolarHBondContact O-SG 3.32Å
333L85.5Confident88.7Confident73 Ų73105.9 Ų105.938%0.38249%0.491SS..Hα-helixtrans-63.5-48175.2-171.185.4000110.9F329 K330 K335 C336 Y337F329-L333 HydrophobicContact CZ-CD1 4.36Å; F329-L333 WeakPolarHBondContact O-CB 3.45Å; F329-L333 PolarHBondContact O-N 3.35Å; K330-L333 PolarHBondContact O-N 3.12Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 3.48Å; L333-C336 PolarHBondContact O-N 2.96Å; L333-Y337 HydrophobicContact CD1-CD2 4.38Å; L333-Y337 HydrophobicContact CD1-CE2 3.79Å; L333-Y337 HydrophobicContact CD2-CD2 4.28Å; L333-Y337 HydrophobicContact CD2-CE2 3.81Å; L333-Y337 HydrophobicContact CG-CD2 3.76Å; L333-Y337 HydrophobicContact CG-CE2 3.51Å; L333-Y337 WeakPolarHBondContact O-CD2 3.36Å; L333-Y337 PolarHBondContact O-N 3.26Å
334E88Confident88.6Confident116 Ų116105.9 Ų105.954%0.54249%0.491SS..Hα-helixtrans-62.2-40.7177-178.9161.2-15200111.4K330 D331 Y337 T338K330-E334 WeakPolarHBondContact O-CB 3.19Å; K330-E334 PolarHBondContact O-N 2.89Å; D331-E334 PolarHBondContact O-N 3.15Å; E334-Y337 PolarHBondContact O-N 2.92Å; E334-T338 HydrophobicContact CG-CG2 4.3Å; E334-T338 WeakPolarHBondContact O-CB 3.19Å; E334-T338 VanDerWaalsContact O-CG2 3.27Å; E334-T338 WeakPolarHBondContact O-CG2 3.39Å; E334-T338 PolarHBondContact O-N 3.12Å; E334-T338 PolarHBondContact O-OG1 3.49Å
335K89.4Confident88.7Confident116 Ų116107.4 Ų107.450%0.50450%0.496SS..Hα-helixtrans-61.9-46.3173.3-172.5178.7177-174.60111.7D331 D332 L333 Y337 T338 E339D331-K335 VanDerWaalsContact O-CB 3.25Å; D331-K335 WeakPolarHBondContact O-CB 3.35Å; D331-K335 PolarHBondContact O-N 3.4Å; D332-K335 PolarHBondContact O-N 3.28Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 3.48Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; K335-Y337 PolarHBondContact O-N 2.91Å; K335-T338 VanDerWaalsContact CA-OG1 3.31Å; K335-T338 WeakPolarHBondContact CA-OG1 3.24Å; K335-T338 PolarHBondContact O-N 3.04Å; K335-T338 PolarHBondContact O-OG1 2.99Å; K335-E339 VanDerWaalsContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact CE-OE1 3.19Å; K335-E339 WeakPolarHBondContact O-CB 2.94Å; K335-E339 VanDerWaalsContact O-CG 3.3Å; K335-E339 WeakPolarHBondContact O-CG 3.41Å; K335-E339 PolarHBondContact O-N 3.17Å
336C86.9Confident89Confident80 Ų80106.8 Ų106.854%0.54150%0.498SS..Hα-helixtrans-61.6-42.4176.6-72.40000111.9D332 L333 L340D332-C336 WeakPolarHBondContact O-CB 3.24Å; D332-C336 PolarHBondContact O-N 2.94Å; D332-C336 PolarHBondContact O-SG 3.32Å; L333-C336 PolarHBondContact O-N 2.96Å; C336-L340 VanDerWaalsContact O-CB 3.3Å; C336-L340 WeakPolarHBondContact O-CB 3.36Å; C336-L340 PolarHBondContact O-N 3.39Å
337Y88.6Confident89.1Confident126 Ų126109.1 Ų109.149%0.49451%0.506SS..Hα-helixtrans-67.8-42.5177.2-82.7-60.5000112.9L333 E334 K335 L340 R341L333-Y337 HydrophobicContact CD1-CD2 4.38Å; L333-Y337 HydrophobicContact CD1-CE2 3.79Å; L333-Y337 HydrophobicContact CD2-CD2 4.28Å; L333-Y337 HydrophobicContact CD2-CE2 3.81Å; L333-Y337 HydrophobicContact CG-CD2 3.76Å; L333-Y337 HydrophobicContact CG-CE2 3.51Å; L333-Y337 WeakPolarHBondContact O-CD2 3.36Å; L333-Y337 PolarHBondContact O-N 3.26Å; E334-Y337 PolarHBondContact O-N 2.92Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; K335-Y337 PolarHBondContact O-N 2.91Å; Y337-L340 PolarHBondContact O-N 2.8Å; Y337-R341 WeakPolarHBondContact O-CB 3.43Å; Y337-R341 WeakPolarHBondContact O-CG 3.3Å; Y337-R341 PolarHBondContact O-N 3.15Å
338T86.4Confident89.2Confident51 Ų51109.9 Ų109.931%0.31351%0.512SS..Hα-helixtrans-64.1-45.7176.649.60000110.7E334 K335 L340 R341 E342E334-T338 HydrophobicContact CG-CG2 4.3Å; E334-T338 WeakPolarHBondContact O-CB 3.19Å; E334-T338 VanDerWaalsContact O-CG2 3.27Å; E334-T338 WeakPolarHBondContact O-CG2 3.39Å; E334-T338 PolarHBondContact O-N 3.12Å; E334-T338 PolarHBondContact O-OG1 3.49Å; K335-T338 VanDerWaalsContact CA-OG1 3.31Å; K335-T338 WeakPolarHBondContact CA-OG1 3.24Å; K335-T338 PolarHBondContact O-N 3.04Å; K335-T338 PolarHBondContact O-OG1 2.99Å; T338-L340 PolarHBondContact O-N 3.26Å; T338-R341 PolarHBondContact O-N 2.87Å; T338-E342 WeakPolarHBondContact O-CG 3.42Å; T338-E342 PolarHBondContact O-N 3.46Å
339E90.1Very high89.3Confident75 Ų75107.2 Ų107.235%0.3551%0.507SS..Hα-helixtrans-60.1-43.4174.9-75.3-173.8-15800112.3K335 R343K335-E339 VanDerWaalsContact CE-OE1 3.31Å; K335-E339 WeakPolarHBondContact CE-OE1 3.19Å; K335-E339 WeakPolarHBondContact O-CB 2.94Å; K335-E339 VanDerWaalsContact O-CG 3.3Å; K335-E339 WeakPolarHBondContact O-CG 3.41Å; K335-E339 PolarHBondContact O-N 3.17Å; E339-R343 VanDerWaalsContact O-CB 3.3Å; E339-R343 WeakPolarHBondContact O-CB 3.31Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.85Å; E339-R343 IonicContact OE2-CZ 2.85Å; E339-R343 IonicContact OE2-NH2 3.37Å; E339-R343 PolarHBondContact OE2-NH2 2.87Å
340L87.4Confident89.4Confident88 Ų88105.1 Ų105.146%0.46151%0.505SS..Hα-helixtrans-63.3-45.6177.3-179.261.6000111.5C336 Y337 T338 R343 Q344C336-L340 VanDerWaalsContact O-CB 3.3Å; C336-L340 WeakPolarHBondContact O-CB 3.36Å; C336-L340 PolarHBondContact O-N 3.39Å; Y337-L340 PolarHBondContact O-N 2.8Å; T338-L340 PolarHBondContact O-N 3.26Å; L340-R343 PolarHBondContact O-N 3.36Å; L340-Q344 HydrophobicContact CD1-CG 4.42Å; L340-Q344 WeakPolarHBondContact O-CB 3.37Å; L340-Q344 WeakPolarHBondContact O-CG 3.44Å; L340-Q344 PolarHBondContact O-N 3.23Å
341R88.7Confident89.7Confident122 Ų122106.1 Ų106.146%0.4651%0.511SS..Hα-helixtrans-60.5-47.3176.8-76.7-169.2-61.8-100.92.8111.8Y337 T338 Q344 K345Y337-R341 WeakPolarHBondContact O-CB 3.43Å; Y337-R341 WeakPolarHBondContact O-CG 3.3Å; Y337-R341 PolarHBondContact O-N 3.15Å; T338-R341 PolarHBondContact O-N 2.87Å; R341-Q344 PolarHBondContact O-N 3.47Å; R341-K345 WeakPolarHBondContact O-CB 3.3Å; R341-K345 PolarHBondContact O-N 2.91Å
342E90.7Very high89.8Confident111 Ų111107.2 Ų107.252%0.51952%0.516SS..Hα-helixtrans-66.4-38.4178.8-71-54.8131.100111.9T338 Q344 K345 K346T338-E342 WeakPolarHBondContact O-CG 3.42Å; T338-E342 PolarHBondContact O-N 3.46Å; E342-Q344 PolarHBondContact O-N 2.88Å; E342-K345 PolarHBondContact O-N 3.36Å; E342-K346 VanDerWaalsContact O-CB 3.27Å; E342-K346 WeakPolarHBondContact O-CB 3.47Å; E342-K346 PolarHBondContact O-N 3.36Å
343R90.6Very high89.9Confident154 Ų154105.7 Ų105.758%0.58152%0.516SS*.Hα-helixtrans-61.5-43.6172.7-74.2173.1-162.8-171.410.2111.6E339 L340 K347E339-R343 VanDerWaalsContact O-CB 3.3Å; E339-R343 WeakPolarHBondContact O-CB 3.31Å; E339-R343 WeakPolarHBondContact O-CG 3.47Å; E339-R343 PolarHBondContact O-N 2.85Å; E339-R343 IonicContact OE2-CZ 2.85Å; E339-R343 IonicContact OE2-NH2 3.37Å; E339-R343 PolarHBondContact OE2-NH2 2.87Å; L340-R343 PolarHBondContact O-N 3.36Å; R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.47Å; R343-K347 PolarHBondContact O-N 3.35Å
344Q88.9Confident90.4Very high115 Ų115107.3 Ų107.354%0.53752%0.52SS..Hα-helixtrans-66.2-46177.3-75.5177-20.100111.9L340 R341 E342 K346 K347 L348L340-Q344 HydrophobicContact CD1-CG 4.42Å; L340-Q344 WeakPolarHBondContact O-CB 3.37Å; L340-Q344 WeakPolarHBondContact O-CG 3.44Å; L340-Q344 PolarHBondContact O-N 3.23Å; R341-Q344 PolarHBondContact O-N 3.47Å; E342-Q344 PolarHBondContact O-N 2.88Å; Q344-K346 PolarHBondContact O-N 2.96Å; Q344-K347 PolarHBondContact O-N 3.11Å; Q344-L348 WeakPolarHBondContact O-CB 3.37Å; Q344-L348 PolarHBondContact O-N 3.16Å
345K89.9Confident90.5Very high137 Ų137106.6 Ų106.660%0.59652%0.52SS*.Hα-helixtrans-59.1-45.8176.5-176.7-178.5176.4-173.80111.6R341 E342 L348 A349R341-K345 WeakPolarHBondContact O-CB 3.3Å; R341-K345 PolarHBondContact O-N 2.91Å; E342-K345 PolarHBondContact O-N 3.36Å; K345-L348 PolarHBondContact O-N 3.43Å; K345-A349 WeakPolarHBondContact O-CB 3.48Å; K345-A349 PolarHBondContact O-N 3.45Å
346K92.6Very high90.7Very high153 Ų153109 Ų10967%0.66553%0.525SS*.Hα-helixtrans-62.8-45176.6-173.1177.1-177.91780111.7E342 Q344 A349 T350E342-K346 VanDerWaalsContact O-CB 3.27Å; E342-K346 WeakPolarHBondContact O-CB 3.47Å; E342-K346 PolarHBondContact O-N 3.36Å; Q344-K346 PolarHBondContact O-N 2.96Å; K346-A349 PolarHBondContact O-N 3.5Å; K346-T350 WeakPolarHBondContact O-CB 3.21Å; K346-T350 PolarHBondContact O-N 3.23Å; K346-T350 PolarHBondContact O-OG1 2.77Å
347K92.4Very high91Very high151 Ų151108 Ų10866%0.65752%0.524SS*.Hα-helixtrans-58.3-49.8175.8-77.8179.5179.4-172.30111.4R343 Q344 A349 T350 E351R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.47Å; R343-K347 PolarHBondContact O-N 3.35Å; Q344-K347 PolarHBondContact O-N 3.11Å; K347-A349 VanDerWaalsContact C-N 3.34Å; K347-A349 PolarHBondContact O-N 2.81Å; K347-T350 PolarHBondContact O-N 3.31Å; K347-E351 WeakPolarHBondContact O-CG 3.39Å; K347-E351 PolarHBondContact O-N 2.91Å
348L91.1Very high91.3Very high126 Ų126106.6 Ų106.666%0.6652%0.521SS*.Hα-helixtrans-62.4-40.5179.4-173.3131.6000112Q344 K345 L352Q344-L348 WeakPolarHBondContact O-CB 3.37Å; Q344-L348 PolarHBondContact O-N 3.16Å; K345-L348 PolarHBondContact O-N 3.43Å; L348-L352 VanDerWaalsContact O-CB 3.28Å; L348-L352 WeakPolarHBondContact O-CB 3.41Å; L348-L352 PolarHBondContact O-N 3.43Å
349A91.3Very high91.7Very high55 Ų55108.6 Ų108.646%0.45553%0.528SS..Hα-helixtrans-63.6-42.917500000112.4K345 K346 K347 A353K345-A349 WeakPolarHBondContact O-CB 3.48Å; K345-A349 PolarHBondContact O-N 3.45Å; K346-A349 PolarHBondContact O-N 3.5Å; K347-A349 VanDerWaalsContact C-N 3.34Å; K347-A349 PolarHBondContact O-N 2.81Å; A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.48Å; A349-A353 PolarHBondContact O-N 3.15Å
350T92.5Very high92Very high78 Ų78110.6 Ų110.648%0.47954%0.539SS..Hα-helixtrans-64.7-45.8176.8-60.10000111.8K346 K347 A353 K354K346-T350 WeakPolarHBondContact O-CB 3.21Å; K346-T350 PolarHBondContact O-N 3.23Å; K346-T350 PolarHBondContact O-OG1 2.77Å; K347-T350 PolarHBondContact O-N 3.31Å; T350-A353 PolarHBondContact O-N 2.64Å; T350-K354 WeakPolarHBondContact O-CB 3.31Å; T350-K354 PolarHBondContact O-N 3.4Å
351E92.6Very high92.4Very high118 Ų118110.4 Ų110.455%0.55154%0.536SS*.Hα-helixtrans-64.2-41.5178.1-68.7-55.8143.700111.6K347 K354 L355K347-E351 WeakPolarHBondContact O-CG 3.39Å; K347-E351 PolarHBondContact O-N 2.91Å; E351-K354 PolarHBondContact O-N 3.43Å; E351-L355 WeakPolarHBondContact O-CB 3.2Å; E351-L355 PolarHBondContact O-N 3.39Å
352L91.4Very high92.6Very high115 Ų115108.5 Ų108.560%0.60254%0.535SS*.Hα-helixtrans-63.8-42175.5-174.466.5000111.8L348 R356L348-L352 VanDerWaalsContact O-CB 3.28Å; L348-L352 WeakPolarHBondContact O-CB 3.41Å; L348-L352 PolarHBondContact O-N 3.43Å; L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 PolarHBondContact O-N 3.16Å
353A93.2Very high92.9Very high60 Ų60109.2 Ų109.250%0.49654%0.536SS..Hα-helixtrans-65.1-40.6176.300000112A349 T350 R356 A357A349-A353 VanDerWaalsContact O-CB 3.31Å; A349-A353 WeakPolarHBondContact O-CB 3.48Å; A349-A353 PolarHBondContact O-N 3.15Å; T350-A353 PolarHBondContact O-N 2.64Å; A353-R356 PolarHBondContact O-N 3.47Å; A353-A357 WeakPolarHBondContact O-CB 3.22Å; A353-A357 PolarHBondContact O-N 2.98Å
354K95.1Very high93.1Very high107 Ų107109.1 Ų109.147%0.46554%0.536SS..Hα-helixtrans-64-50.1176.3-176.4-178.3171.2-171.40111.4T350 E351 R356 A357 E358T350-K354 WeakPolarHBondContact O-CB 3.31Å; T350-K354 PolarHBondContact O-N 3.4Å; E351-K354 PolarHBondContact O-N 3.43Å; K354-R356 VanDerWaalsContact C-N 3.28Å; K354-R356 PolarHBondContact O-N 2.98Å; K354-A357 PolarHBondContact O-N 3.43Å; K354-A357 VanDerWaalsContact O-N 3.11Å; K354-E358 WeakPolarHBondContact CE-OE1 3.36Å; K354-E358 HydrophobicContact CG-CG 4.49Å; K354-E358 IonicContact NZ-OE1 2.7Å; K354-E358 WeakPolarHBondContact O-CG 3.47Å; K354-E358 PolarHBondContact O-N 2.99Å
355L90.8Very high93.5Very high101 Ų101110.1 Ų110.153%0.52954%0.535SS..Hα-helixtrans-59.5-40.5177.3-175.365.4000111.6E351 M359E351-L355 WeakPolarHBondContact O-CB 3.2Å; E351-L355 PolarHBondContact O-N 3.39Å; L355-M359 WeakPolarHBondContact O-CB 3.39Å; L355-M359 PolarHBondContact O-N 2.87Å
356R93.3Very high93.8Very high165 Ų165109.4 Ų109.462%0.62353%0.533SS*.Hα-helixtrans-62.9-43.9174.5-176178-178.6173.62.1111.8L352 A353 K354 M360L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 PolarHBondContact O-N 3.16Å; A353-R356 PolarHBondContact O-N 3.47Å; K354-R356 VanDerWaalsContact C-N 3.28Å; K354-R356 PolarHBondContact O-N 2.98Å; R356-M360 WeakPolarHBondContact O-CB 3.24Å; R356-M360 VanDerWaalsContact O-CG 3.24Å; R356-M360 WeakPolarHBondContact O-CG 3.32Å; R356-M360 PolarHBondContact O-N 3.28Å
357A94.6Very high94Very high61 Ų61107.8 Ų107.850%0.50453%0.531SS..Hα-helixtrans-65.9-44.717900000111.9A353 K354 M360 E361A353-A357 WeakPolarHBondContact O-CB 3.22Å; A353-A357 PolarHBondContact O-N 2.98Å; K354-A357 PolarHBondContact O-N 3.43Å; K354-A357 VanDerWaalsContact O-N 3.11Å; A357-M360 PolarHBondContact O-N 3.36Å; A357-E361 WeakPolarHBondContact O-CB 3.14Å; A357-E361 PolarHBondContact O-N 2.97Å
358E93.8Very high94.2Very high96 Ų96103.7 Ų103.745%0.44952%0.517SS..Hα-helixtrans-60.6-46.8176.2-72.7174.1173.600111.3K354 M360 E361 D362K354-E358 WeakPolarHBondContact CE-OE1 3.36Å; K354-E358 HydrophobicContact CG-CG 4.49Å; K354-E358 IonicContact NZ-OE1 2.7Å; K354-E358 WeakPolarHBondContact O-CG 3.47Å; K354-E358 PolarHBondContact O-N 2.99Å; E358-M360 PolarHBondContact O-N 3.21Å; E358-E361 PolarHBondContact O-N 2.92Å; E358-D362 PolarHBondContact O-N 3.5Å
359M95.1Very high94.5Very high93 Ų93100.7 Ų100.746%0.45851%0.507SS..Hα-helixtrans-59.8-44.7176.4-176.4-164.2-57.600112.3L355 E361 D362 F363L355-M359 WeakPolarHBondContact O-CB 3.39Å; L355-M359 PolarHBondContact O-N 2.87Å; M359-E361 VanDerWaalsContact C-N 3.29Å; M359-E361 PolarHBondContact O-N 3.42Å; M359-D362 PolarHBondContact O-N 3.43Å; M359-F363 HydrophobicContact CG-CD2 3.8Å; M359-F363 HydrophobicContact CG-CE2 3.46Å; M359-F363 VanDerWaalsContact CG-CE2 3.46Å; M359-F363 HydrophobicContact CG-CZ 4.49Å; M359-F363 WeakPolarHBondContact O-CD2 3.44Å; M359-F363 PolarHBondContact O-N 2.9Å; M359-F363 HydrophobicContact SD-CE2 3.88Å
360M95.6Very high94.8Very high116 Ų116101 Ų10157%0.57150%0.503SS*.Hα-helixtrans-65.1-34.9177.5-72.6-60.8-57.900112R356 A357 E358 R364R356-M360 WeakPolarHBondContact O-CB 3.24Å; R356-M360 VanDerWaalsContact O-CG 3.24Å; R356-M360 WeakPolarHBondContact O-CG 3.32Å; R356-M360 PolarHBondContact O-N 3.28Å; A357-M360 PolarHBondContact O-N 3.36Å; E358-M360 PolarHBondContact O-N 3.21Å; M360-R364 WeakPolarHBondContact O-CB 3.25Å; M360-R364 PolarHBondContact O-N 3.49Å
361E95.7Very high95.1Very high84 Ų84105 Ų10539%0.39351%0.509SS..Hα-helixtrans-71.7-39.5176.3-174.757.1-15100112.1A357 E358 M359 R364 R365A357-E361 WeakPolarHBondContact O-CB 3.14Å; A357-E361 PolarHBondContact O-N 2.97Å; E358-E361 PolarHBondContact O-N 2.92Å; M359-E361 VanDerWaalsContact C-N 3.29Å; M359-E361 PolarHBondContact O-N 3.42Å; E361-R364 PolarHBondContact O-N 2.92Å; E361-R365 PolarHBondContact O-N 2.96Å
362D93.6Very high95.3Very high82 Ų82106 Ų10644%0.43951%0.514SS..Hα-helixtrans-59.5-48.4171.3-78.4-35.7000111.1E358 M359 R364 R365 E366E358-D362 PolarHBondContact O-N 3.5Å; M359-D362 PolarHBondContact O-N 3.43Å; D362-R364 VanDerWaalsContact C-N 3.31Å; D362-R364 PolarHBondContact O-N 3.48Å; D362-R365 PolarHBondContact O-N 2.96Å; D362-R365 IonicContact OD1-CZ 3.36Å; D362-R365 IonicContact OD1-NH1 3.3Å; D362-R365 PolarHBondContact OD1-NH1 2.97Å; D362-R365 IonicContact OD1-NH2 3.96Å; D362-R365 PolarHBondContact OD1-NH2 2.81Å; D362-E366 PolarHBondContact O-N 3.3Å
363F96Very high95.6Very high126 Ų126105.2 Ų105.255%0.55351%0.507SS*.Hα-helixtrans-62.1-38.4176.6-78.4-54.8000112.7M359 E366 L367M359-F363 HydrophobicContact CG-CD2 3.8Å; M359-F363 HydrophobicContact CG-CE2 3.46Å; M359-F363 VanDerWaalsContact CG-CE2 3.46Å; M359-F363 HydrophobicContact CG-CZ 4.49Å; M359-F363 WeakPolarHBondContact O-CD2 3.44Å; M359-F363 PolarHBondContact O-N 2.9Å; M359-F363 HydrophobicContact SD-CE2 3.88Å; F363-E366 PolarHBondContact O-N 3.44Å; F363-L367 WeakPolarHBondContact O-CB 3.45Å; F363-L367 VanDerWaalsContact O-CG 3.32Å; F363-L367 WeakPolarHBondContact O-CG 3.3Å; F363-L367 PolarHBondContact O-N 3.3Å
364R96.3Very high95.8Very high153 Ų153106.3 Ų106.358%0.57750%0.504SS*.Hα-helixtrans-62.1-47.2175.3-176.8-178.1-179.91691.5111.2M360 E361 D362 E366 L367 D368M360-R364 WeakPolarHBondContact O-CB 3.25Å; M360-R364 PolarHBondContact O-N 3.49Å; E361-R364 PolarHBondContact O-N 2.92Å; D362-R364 VanDerWaalsContact C-N 3.31Å; D362-R364 PolarHBondContact O-N 3.48Å; R364-E366 VanDerWaalsContact C-N 3.32Å; R364-E366 PolarHBondContact O-N 3.18Å; R364-L367 PolarHBondContact O-N 3.38Å; R364-D368 PolarHBondContact O-N 2.91Å
365R97.2Very high96Very high135 Ų135105.4 Ų105.451%0.50950%0.504SS..Hα-helixtrans-59.5-41.8176.5-80-173.3-88.8122.1-6.2112.3E361 D362 D368 S369E361-R365 PolarHBondContact O-N 2.96Å; D362-R365 PolarHBondContact O-N 2.96Å; D362-R365 IonicContact OD1-CZ 3.36Å; D362-R365 IonicContact OD1-NH1 3.3Å; D362-R365 PolarHBondContact OD1-NH1 2.97Å; D362-R365 IonicContact OD1-NH2 3.96Å; D362-R365 PolarHBondContact OD1-NH2 2.81Å; R365-D368 PolarHBondContact O-N 3.4Å; R365-S369 VanDerWaalsContact O-CB 3.29Å; R365-S369 WeakPolarHBondContact O-CB 3.37Å; R365-S369 PolarHBondContact O-N 3.21Å
366E95.9Very high96.3Very high122 Ų122103.5 Ų103.557%0.5750%0.503SS*.Hα-helixtrans-66.2-41.5177.4-16565.1-158.400112D362 F363 R364 S369 T370D362-E366 PolarHBondContact O-N 3.3Å; F363-E366 PolarHBondContact O-N 3.44Å; R364-E366 VanDerWaalsContact C-N 3.32Å; R364-E366 PolarHBondContact O-N 3.18Å; E366-S369 PolarHBondContact O-N 3.31Å; E366-T370 WeakPolarHBondContact O-CB 3.44Å; E366-T370 VanDerWaalsContact O-CG2 3.3Å; E366-T370 WeakPolarHBondContact O-CG2 3.3Å; E366-T370 PolarHBondContact O-N 3.44Å; E366-T370 PolarHBondContact O-OG1 3.34Å
367L97Very high96.5Very high119 Ų119102.9 Ų102.962%0.62350%0.501SS*.Hα-helixtrans-64.7-41.8175.4-75.9173.4000112.5F363 R364 T370 R371F363-L367 WeakPolarHBondContact O-CB 3.45Å; F363-L367 VanDerWaalsContact O-CG 3.32Å; F363-L367 WeakPolarHBondContact O-CG 3.3Å; F363-L367 PolarHBondContact O-N 3.3Å; R364-L367 PolarHBondContact O-N 3.38Å; L367-T370 WeakPolarHBondContact CA-OG1 3.41Å; L367-T370 PolarHBondContact O-OG1 2.92Å; L367-R371 WeakPolarHBondContact O-CB 3.48Å; L367-R371 PolarHBondContact O-N 3.42Å
368D96.7Very high96.7Very high66 Ų66106.6 Ų106.635%0.35350%0.503SS..Hα-helixtrans-67.4-42.9177.3-75.2-29.4000110.9R364 R365 R371 E372R364-D368 PolarHBondContact O-N 2.91Å; R365-D368 PolarHBondContact O-N 3.4Å; D368-R371 PolarHBondContact O-N 3.3Å; D368-E372 WeakPolarHBondContact O-CB 3.49Å; D368-E372 WeakPolarHBondContact O-CG 3.44Å; D368-E372 PolarHBondContact O-N 3.15Å
369S97.2Very high96.9Very high63 Ų63105 Ų10544%0.44151%0.506SS..Hα-helixtrans-59.1-50.1174.9179.50000112.4R365 E366 R371 E372 E373R365-S369 VanDerWaalsContact O-CB 3.29Å; R365-S369 WeakPolarHBondContact O-CB 3.37Å; R365-S369 PolarHBondContact O-N 3.21Å; E366-S369 PolarHBondContact O-N 3.31Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.48Å; S369-E372 PolarHBondContact O-N 2.99Å; S369-E373 WeakPolarHBondContact O-CB 3.35Å; S369-E373 PolarHBondContact O-N 3.05Å
370T97.2Very high97.1Very high61 Ų61106.9 Ų106.937%0.37451%0.513SS..Hα-helixtrans-65.3-36.4178.652.40000112.3E366 L367 L374E366-T370 WeakPolarHBondContact O-CB 3.44Å; E366-T370 VanDerWaalsContact O-CG2 3.3Å; E366-T370 WeakPolarHBondContact O-CG2 3.3Å; E366-T370 PolarHBondContact O-N 3.44Å; E366-T370 PolarHBondContact O-OG1 3.34Å; L367-T370 WeakPolarHBondContact CA-OG1 3.41Å; L367-T370 PolarHBondContact O-OG1 2.92Å; T370-L374 WeakPolarHBondContact O-CB 3.27Å; T370-L374 PolarHBondContact O-N 2.92Å
371R97.9Very high97.2Very high162 Ų162106.7 Ų106.761%0.61151%0.511SS*.Hα-helixtrans-63.5-46173.2177.3-177.2177.1-166.3-2.3111.6L367 D368 S369 L374 N375L367-R371 WeakPolarHBondContact O-CB 3.48Å; L367-R371 PolarHBondContact O-N 3.42Å; D368-R371 PolarHBondContact O-N 3.3Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.48Å; R371-L374 PolarHBondContact O-N 3.29Å; R371-N375 VanDerWaalsContact O-CB 3.32Å; R371-N375 WeakPolarHBondContact O-CB 3.37Å; R371-N375 PolarHBondContact O-N 3.23Å; R371-N375 PolarHBondContact O-ND2 2.94Å
372E97.4Very high97.3Very high139 Ų139108 Ų10865%0.6552%0.52SS*.Hα-helixtrans-63.4-45.5177.9-75.8179.1-177.300111.7D368 S369 L374 N375 A376D368-E372 WeakPolarHBondContact O-CB 3.49Å; D368-E372 WeakPolarHBondContact O-CG 3.44Å; D368-E372 PolarHBondContact O-N 3.15Å; S369-E372 PolarHBondContact O-N 2.99Å; E372-L374 PolarHBondContact O-N 3.39Å; E372-N375 PolarHBondContact O-N 3.49Å; E372-A376 WeakPolarHBondContact O-CB 3.47Å; E372-A376 PolarHBondContact O-N 3.48Å
373E97.7Very high97.5Very high98 Ų98111.6 Ų111.646%0.45853%0.532SS..Hα-helixtrans-60.1-46.5176.5-175.7178.5-166.700111.4S369 A376 R377S369-E373 WeakPolarHBondContact O-CB 3.35Å; S369-E373 PolarHBondContact O-N 3.05Å; E373-A376 PolarHBondContact O-N 3.37Å; E373-R377 VanDerWaalsContact O-CG 3.32Å; E373-R377 WeakPolarHBondContact O-CG 3.34Å; E373-R377 PolarHBondContact O-N 2.9Å; E373-R377 IonicContact OE1-CZ 3.87Å; E373-R377 VanDerWaalsContact OE1-CZ 3.3Å; E373-R377 IonicContact OE1-NE 2.85Å; E373-R377 PolarHBondContact OE1-NE 2.85Å; E373-R377 IonicContact OE1-NH2 2.74Å; E373-R377 PolarHBondContact OE1-NH2 2.87Å
374L98.1Very high97.6Very high83 Ų83111.3 Ų111.344%0.43553%0.53SS..Hα-helixtrans-63.6-43.9178.8-175.461.4000111.5T370 R371 E372 A376 R377 Y378T370-L374 WeakPolarHBondContact O-CB 3.27Å; T370-L374 PolarHBondContact O-N 2.92Å; R371-L374 PolarHBondContact O-N 3.29Å; E372-L374 PolarHBondContact O-N 3.39Å; L374-A376 VanDerWaalsContact C-N 3.35Å; L374-A376 PolarHBondContact O-N 3.23Å; L374-R377 PolarHBondContact O-N 3.43Å; L374-Y378 HydrophobicContact CD1-CD2 3.87Å; L374-Y378 HydrophobicContact CD1-CE2 3.34Å; L374-Y378 HydrophobicContact CD2-CE2 3.86Å; L374-Y378 HydrophobicContact CG-CD2 3.71Å; L374-Y378 HydrophobicContact CG-CE2 3.36Å; L374-Y378 WeakPolarHBondContact O-CD2 3.45Å; L374-Y378 PolarHBondContact O-N 3.36Å
375N98.1Very high97.7Very high88 Ų88107.7 Ų107.747%0.47152%0.52SS..Hα-helixtrans-61.8-41.6175.3-75.5-26.6000112R371 E372 Y378 A379R371-N375 VanDerWaalsContact O-CB 3.32Å; R371-N375 WeakPolarHBondContact O-CB 3.37Å; R371-N375 PolarHBondContact O-N 3.23Å; R371-N375 PolarHBondContact O-ND2 2.94Å; E372-N375 PolarHBondContact O-N 3.49Å; N375-Y378 PolarHBondContact O-N 3.47Å; N375-A379 VanDerWaalsContact O-CB 3.28Å; N375-A379 WeakPolarHBondContact O-CB 3.41Å; N375-A379 PolarHBondContact O-N 2.63Å
376A98.3Very high97.8Very high61 Ų61105.4 Ų105.450%0.50452%0.518SS..Hα-helixtrans-63.8-42.8176.600000111.5E372 E373 L374 A379 H380E372-A376 WeakPolarHBondContact O-CB 3.47Å; E372-A376 PolarHBondContact O-N 3.48Å; E373-A376 PolarHBondContact O-N 3.37Å; L374-A376 VanDerWaalsContact C-N 3.35Å; L374-A376 PolarHBondContact O-N 3.23Å; A376-A379 PolarHBondContact O-N 2.84Å; A376-H380 VanDerWaalsContact O-CB 3.32Å; A376-H380 WeakPolarHBondContact O-CB 3.43Å; A376-H380 PolarHBondContact O-N 2.54Å
377R98.1Very high97.9Very high153 Ų153104.1 Ų104.158%0.57751%0.512SS*.Hα-helixtrans-61.3-47.3174.7-72.4175.6-176.9-166.32.6111.6E373 L374 H380 Q381E373-R377 VanDerWaalsContact O-CG 3.32Å; E373-R377 WeakPolarHBondContact O-CG 3.34Å; E373-R377 PolarHBondContact O-N 2.9Å; E373-R377 IonicContact OE1-CZ 3.87Å; E373-R377 VanDerWaalsContact OE1-CZ 3.3Å; E373-R377 IonicContact OE1-NE 2.85Å; E373-R377 PolarHBondContact OE1-NE 2.85Å; E373-R377 IonicContact OE1-NH2 2.74Å; E373-R377 PolarHBondContact OE1-NH2 2.87Å; L374-R377 PolarHBondContact O-N 3.43Å; R377-H380 PolarHBondContact O-N 3.1Å; R377-Q381 VanDerWaalsContact O-CB 3.32Å; R377-Q381 WeakPolarHBondContact O-CB 3.18Å; R377-Q381 PolarHBondContact O-N 2.89Å
378Y98Very high97.9Very high138 Ų138103 Ų10354%0.54150%0.502SS..Hα-helixtrans-63-43.3176.7-78.4-56.3000112.3L374 N375 H380 Q381 L382L374-Y378 HydrophobicContact CD1-CD2 3.87Å; L374-Y378 HydrophobicContact CD1-CE2 3.34Å; L374-Y378 HydrophobicContact CD2-CE2 3.86Å; L374-Y378 HydrophobicContact CG-CD2 3.71Å; L374-Y378 HydrophobicContact CG-CE2 3.36Å; L374-Y378 WeakPolarHBondContact O-CD2 3.45Å; L374-Y378 PolarHBondContact O-N 3.36Å; N375-Y378 PolarHBondContact O-N 3.47Å; Y378-H380 PolarHBondContact O-N 3.2Å; Y378-Q381 PolarHBondContact O-N 3.47Å; Y378-L382 VanDerWaalsContact O-CB 3.28Å; Y378-L382 WeakPolarHBondContact O-CB 3.47Å; Y378-L382 PolarHBondContact O-N 2.9Å
379A98.2Very high98Very high62 Ų62103 Ų10351%0.51250%0.501SS..Hα-helixtrans-62.6-43.2177.100000111.8N375 A376 K383N375-A379 VanDerWaalsContact O-CB 3.28Å; N375-A379 WeakPolarHBondContact O-CB 3.41Å; N375-A379 PolarHBondContact O-N 2.63Å; A376-A379 PolarHBondContact O-N 2.84Å; A379-K383 WeakPolarHBondContact O-CB 3.44Å; A379-K383 PolarHBondContact O-N 3.46Å
380H98.3Very high98.1Very high133 Ų133106 Ų10662%0.61651%0.507SS*.Hα-helixtrans-63-47.1175.5-178.6-93000111.7A376 R377 Y378 L382 K383 F384A376-H380 VanDerWaalsContact O-CB 3.32Å; A376-H380 WeakPolarHBondContact O-CB 3.43Å; A376-H380 PolarHBondContact O-N 2.54Å; R377-H380 PolarHBondContact O-N 3.1Å; Y378-H380 PolarHBondContact O-N 3.2Å; H380-L382 PolarHBondContact O-N 2.77Å; H380-K383 PolarHBondContact O-N 3.44Å; H380-F384 WeakPolarHBondContact O-CB 3.3Å; H380-F384 PolarHBondContact O-N 2.85Å
381Q98.2Very high98.1Very high112 Ų112106.2 Ų106.252%0.52351%0.506SS..Hα-helixtrans-61.8-44.1178.4-173.2175.313.500111.7R377 Y378 K383 F384 E385R377-Q381 VanDerWaalsContact O-CB 3.32Å; R377-Q381 WeakPolarHBondContact O-CB 3.18Å; R377-Q381 PolarHBondContact O-N 2.89Å; Y378-Q381 PolarHBondContact O-N 3.47Å; Q381-K383 PolarHBondContact O-N 3.46Å; Q381-F384 PolarHBondContact O-N 2.97Å; Q381-E385 PolarHBondContact O-N 2.78Å
382L98.3Very high98.1Very high111 Ų111104.7 Ų104.758%0.58150%0.5SS*.Hα-helixtrans-62.4-43.9177.2-176.861.3000111.3Y378 H380 F384 E385 L386Y378-L382 VanDerWaalsContact O-CB 3.28Å; Y378-L382 WeakPolarHBondContact O-CB 3.47Å; Y378-L382 PolarHBondContact O-N 2.9Å; H380-L382 PolarHBondContact O-N 2.77Å; L382-F384 VanDerWaalsContact C-N 3.35Å; L382-F384 PolarHBondContact O-N 2.85Å; L382-E385 PolarHBondContact O-N 2.93Å; L382-L386 HydrophobicContact CD1-CD1 4.43Å; L382-L386 HydrophobicContact CD1-CG 4.41Å; L382-L386 HydrophobicContact CG-CD1 4.17Å; L382-L386 WeakPolarHBondContact O-CB 3.35Å; L382-L386 VanDerWaalsContact O-CG 3.25Å; L382-L386 WeakPolarHBondContact O-CG 3.5Å; L382-L386 PolarHBondContact O-N 3.19Å
383K98.1Very high98.2Very high159 Ų159102.5 Ų102.569%0.69149%0.489SS*.Hα-helixtrans-61.9-43176.2-173.9179.3179.3-178.30111.7A379 H380 Q381 Q387A379-K383 WeakPolarHBondContact O-CB 3.44Å; A379-K383 PolarHBondContact O-N 3.46Å; H380-K383 PolarHBondContact O-N 3.44Å; Q381-K383 PolarHBondContact O-N 3.46Å; K383-Q387 WeakPolarHBondContact O-CB 3.09Å; K383-Q387 PolarHBondContact O-N 3.42Å
384F98.4Very high98.2Very high119 Ų119105.4 Ų105.452%0.52250%0.496SS..Hα-helixtrans-63.4-48.2178.1-178.5-96.1000111.9H380 Q381 L382 L386 Q387 K388H380-F384 WeakPolarHBondContact O-CB 3.3Å; H380-F384 PolarHBondContact O-N 2.85Å; Q381-F384 PolarHBondContact O-N 2.97Å; L382-F384 VanDerWaalsContact C-N 3.35Å; L382-F384 PolarHBondContact O-N 2.85Å; F384-L386 PolarHBondContact O-N 3.15Å; F384-Q387 PolarHBondContact O-N 3.32Å; F384-K388 HydrophobicContact CE1-CD 4.24Å; F384-K388 WeakPolarHBondContact O-CB 3.13Å; F384-K388 PolarHBondContact O-N 2.99Å
385E98.1Very high98.2Very high78 Ų78108.1 Ų108.136%0.36450%0.504SS..Hα-helixtrans-65.6-38.6178.3-74.5-59.2147.100112.3Q381 L382 Q387 K388 L389Q381-E385 PolarHBondContact O-N 2.78Å; L382-E385 PolarHBondContact O-N 2.93Å; E385-Q387 PolarHBondContact O-N 2.89Å; E385-K388 PolarHBondContact O-N 3.25Å; E385-K388 IonicContact OE1-NZ 3.59Å; E385-L389 VanDerWaalsContact O-CB 3.31Å; E385-L389 WeakPolarHBondContact O-CB 3.43Å; E385-L389 PolarHBondContact O-N 3.2Å
386L98.2Very high98.1Very high87 Ų87108.9 Ų108.946%0.45551%0.505SS..Hα-helixtrans-61.5-43173-77.5174.1000111.9L382 F384 L389 K390L382-L386 HydrophobicContact CD1-CD1 4.43Å; L382-L386 HydrophobicContact CD1-CG 4.41Å; L382-L386 HydrophobicContact CG-CD1 4.17Å; L382-L386 WeakPolarHBondContact O-CB 3.35Å; L382-L386 VanDerWaalsContact O-CG 3.25Å; L382-L386 WeakPolarHBondContact O-CG 3.5Å; L382-L386 PolarHBondContact O-N 3.19Å; F384-L386 PolarHBondContact O-N 3.15Å; L386-L389 PolarHBondContact O-N 2.76Å; L386-K390 WeakPolarHBondContact O-CB 3.38Å; L386-K390 VanDerWaalsContact O-CG 3.29Å; L386-K390 WeakPolarHBondContact O-CG 3.36Å; L386-K390 PolarHBondContact O-N 2.94Å
387Q97.9Very high98.1Very high95 Ų95110.3 Ų110.344%0.44450%0.504SS..Hα-helixtrans-65.9-46.5177.9-174.856.342.200111.2K383 F384 E385 L389 K390 D391K383-Q387 WeakPolarHBondContact O-CB 3.09Å; K383-Q387 PolarHBondContact O-N 3.42Å; F384-Q387 PolarHBondContact O-N 3.32Å; E385-Q387 PolarHBondContact O-N 2.89Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.43Å; Q387-K390 WeakPolarHBondContact O-CB 3.38Å; Q387-K390 PolarHBondContact O-N 3.21Å; Q387-K390 VanDerWaalsContact O-N 3.17Å; Q387-D391 VanDerWaalsContact NE2-CG 3.27Å; Q387-D391 PolarHBondContact NE2-OD1 2.95Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.39Å
388K98.3Very high98.1Very high94 Ų94106.7 Ų106.741%0.40950%0.496SS..Hα-helixtrans-59.2-40.7176.3-176179.3177.5-173.10112.1F384 E385 R392F384-K388 HydrophobicContact CE1-CD 4.24Å; F384-K388 WeakPolarHBondContact O-CB 3.13Å; F384-K388 PolarHBondContact O-N 2.99Å; E385-K388 PolarHBondContact O-N 3.25Å; E385-K388 IonicContact OE1-NZ 3.59Å; K388-R392 WeakPolarHBondContact O-CB 3.3Å; K388-R392 WeakPolarHBondContact O-CG 3.38Å; K388-R392 PolarHBondContact O-N 3.01Å
389L98.3Very high98Very high67 Ų67105.9 Ų105.935%0.35150%0.497SS..Hα-helixtrans-65.7-44.9175.2-172.864.4000111.6E385 L386 Q387 D391 R392 H393E385-L389 VanDerWaalsContact O-CB 3.31Å; E385-L389 WeakPolarHBondContact O-CB 3.43Å; E385-L389 PolarHBondContact O-N 3.2Å; L386-L389 PolarHBondContact O-N 2.76Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.43Å; L389-D391 VanDerWaalsContact C-N 3.34Å; L389-D391 PolarHBondContact O-N 2.78Å; L389-R392 PolarHBondContact O-N 2.9Å; L389-H393 WeakPolarHBondContact CD1-NE2 2.98Å; L389-H393 PolarHBondContact O-N 3.49Å
390K98.1Very high97.9Very high127 Ų127106.6 Ų106.655%0.55249%0.491SS*.Hα-helixtrans-58.7-43.7175-76.7174.2179.4-1800112.3L386 Q387 H393 R394L386-K390 WeakPolarHBondContact O-CB 3.38Å; L386-K390 VanDerWaalsContact O-CG 3.29Å; L386-K390 WeakPolarHBondContact O-CG 3.36Å; L386-K390 PolarHBondContact O-N 2.94Å; Q387-K390 WeakPolarHBondContact O-CB 3.38Å; Q387-K390 PolarHBondContact O-N 3.21Å; Q387-K390 VanDerWaalsContact O-N 3.17Å; K390-H393 PolarHBondContact O-N 2.93Å; K390-R394 WeakPolarHBondContact O-CB 3.1Å; K390-R394 PolarHBondContact O-N 3.35Å
391D98.3Very high97.7Very high65 Ų65107.6 Ų107.635%0.34849%0.494SS..Hα-helixtrans-70.3-36-179.9-67.7-27.4000112.1Q387 L389 R394 K395Q387-D391 VanDerWaalsContact NE2-CG 3.27Å; Q387-D391 PolarHBondContact NE2-OD1 2.95Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.39Å; L389-D391 VanDerWaalsContact C-N 3.34Å; L389-D391 PolarHBondContact O-N 2.78Å; D391-R394 PolarHBondContact O-N 3.44Å; D391-K395 WeakPolarHBondContact O-CG 3.32Å; D391-K395 PolarHBondContact O-N 3.15Å
392R98.1Very high97.6Very high129 Ų129110.4 Ų110.449%0.48751%0.505SS..Hα-helixtrans-61.9-49.4171-77.6-169.4-65-175.80.1111.6K388 L389 R394 K395 Q396K388-R392 WeakPolarHBondContact O-CB 3.3Å; K388-R392 WeakPolarHBondContact O-CG 3.38Å; K388-R392 PolarHBondContact O-N 3.01Å; L389-R392 PolarHBondContact O-N 2.9Å; R392-R394 VanDerWaalsContact C-N 3.31Å; R392-R394 PolarHBondContact O-N 3.39Å; R392-K395 PolarHBondContact O-N 2.92Å; R392-Q396 WeakPolarHBondContact O-CG 3.23Å; R392-Q396 PolarHBondContact O-N 3.42Å
393H98.3Very high97.5Very high94 Ų94109.4 Ų109.444%0.43550%0.495SS..Hα-helixtrans-62.9-38.8177.9-68.6173.1000111.8L389 K390 Q396 L397L389-H393 WeakPolarHBondContact CD1-NE2 2.98Å; L389-H393 PolarHBondContact O-N 3.49Å; K390-H393 PolarHBondContact O-N 2.93Å; H393-Q396 PolarHBondContact CD2-OE1 3.25Å; H393-Q396 PolarHBondContact O-N 3.17Å; H393-L397 WeakPolarHBondContact O-CB 3.25Å; H393-L397 VanDerWaalsContact O-CG 3.29Å; H393-L397 WeakPolarHBondContact O-CG 3.36Å; H393-L397 PolarHBondContact O-N 3.14Å
394R98.2Very high97.4Very high159 Ų159107.3 Ų107.360%0.649%0.488SS*.Hα-helixtrans-59.5-48.1174.9-175.2-178.9-61.8-87.7-1.1111.6K390 D391 R392 L397 D398K390-R394 WeakPolarHBondContact O-CB 3.1Å; K390-R394 PolarHBondContact O-N 3.35Å; D391-R394 PolarHBondContact O-N 3.44Å; R392-R394 VanDerWaalsContact C-N 3.31Å; R392-R394 PolarHBondContact O-N 3.39Å; R394-L397 WeakPolarHBondContact O-CB 2.99Å; R394-L397 PolarHBondContact O-N 3.49Å; R394-D398 VanDerWaalsContact O-CG 3.32Å; R394-D398 PolarHBondContact O-N 3.34Å
395K97.8Very high97.3Very high140 Ų140106 Ų10661%0.60948%0.48SS*.Hα-helixtrans-61.8-43.8177.4-71.9176.4-178.1-176.80112.2D391 R392 L397 D398 E399D391-K395 WeakPolarHBondContact O-CG 3.32Å; D391-K395 PolarHBondContact O-N 3.15Å; R392-K395 PolarHBondContact O-N 2.92Å; K395-L397 VanDerWaalsContact C-N 3.32Å; K395-L397 PolarHBondContact O-N 2.82Å; K395-D398 PolarHBondContact O-N 3.17Å; K395-E399 WeakPolarHBondContact O-CG 3.2Å; K395-E399 PolarHBondContact O-N 3.33Å
396Q97.2Very high97.2Very high104 Ų104102.4 Ų102.449%0.48646%0.463SS..Hα-helixtrans-59.9-42.5175.1-73.2174.1-28.800111.5R392 H393 E399 I400R392-Q396 WeakPolarHBondContact O-CG 3.23Å; R392-Q396 PolarHBondContact O-N 3.42Å; H393-Q396 PolarHBondContact CD2-OE1 3.25Å; H393-Q396 PolarHBondContact O-N 3.17Å; Q396-E399 PolarHBondContact O-N 3.49Å; Q396-I400 WeakPolarHBondContact O-CB 3.2Å; Q396-I400 WeakPolarHBondContact O-CD1 3.33Å; Q396-I400 WeakPolarHBondContact O-CG1 3.39Å; Q396-I400 PolarHBondContact O-N 2.9Å
397L97.5Very high97.1Very high91 Ų91104.7 Ų104.748%0.47647%0.467SS..Hα-helixtrans-63.8-40.4175.2-72.4173.4000112.2H393 R394 K395 I400 K401H393-L397 WeakPolarHBondContact O-CB 3.25Å; H393-L397 VanDerWaalsContact O-CG 3.29Å; H393-L397 WeakPolarHBondContact O-CG 3.36Å; H393-L397 PolarHBondContact O-N 3.14Å; R394-L397 WeakPolarHBondContact O-CB 2.99Å; R394-L397 PolarHBondContact O-N 3.49Å; K395-L397 VanDerWaalsContact C-N 3.32Å; K395-L397 PolarHBondContact O-N 2.82Å; L397-I400 PolarHBondContact O-N 2.65Å; L397-K401 WeakPolarHBondContact O-CB 3.4Å; L397-K401 WeakPolarHBondContact O-CG 3.5Å; L397-K401 PolarHBondContact O-N 3.23Å
398D97.9Very high97Very high76 Ų76103.3 Ų103.341%0.40646%0.46SS..Hα-helixtrans-67.7-37.6177.8-67.2-23.8000111.8R394 K395 K402R394-D398 VanDerWaalsContact O-CG 3.32Å; R394-D398 PolarHBondContact O-N 3.34Å; K395-D398 PolarHBondContact O-N 3.17Å; D398-K402 WeakPolarHBondContact O-CD 3.41Å; D398-K402 VanDerWaalsContact O-CG 3.27Å; D398-K402 WeakPolarHBondContact O-CG 3.32Å; D398-K402 PolarHBondContact O-N 3.19Å
399E96.5Very high96.9Very high121 Ų121101.4 Ų101.457%0.56546%0.458SS*.Hα-helixtrans-65.4-43.3172.2-73.6171.7-172.600111.5K395 Q396 K402K395-E399 WeakPolarHBondContact O-CG 3.2Å; K395-E399 PolarHBondContact O-N 3.33Å; Q396-E399 PolarHBondContact O-N 3.49Å; E399-K402 PolarHBondContact O-N 3.22Å
400I95.7Very high96.8Very high77 Ų77106 Ų10640%0.39548%0.478SS..Hα-helixtrans-62.5-47.1177.3-74.5167000110.2Q396 L397 K402 K403 W405Q396-I400 WeakPolarHBondContact O-CB 3.2Å; Q396-I400 WeakPolarHBondContact O-CD1 3.33Å; Q396-I400 WeakPolarHBondContact O-CG1 3.39Å; Q396-I400 PolarHBondContact O-N 2.9Å; L397-I400 PolarHBondContact O-N 2.65Å; I400-K402 PolarHBondContact O-N 3.13Å; I400-K402 VanDerWaalsContact O-N 3.17Å; I400-K403 PolarHBondContact O-N 3.42Å; I400-W405 HydrophobicContact CB-CZ2 3.9Å; I400-W405 HydrophobicContact CG1-CH2 4.32Å; I400-W405 HydrophobicContact CG1-CZ2 4Å; I400-W405 HydrophobicContact CG2-CH2 4.36Å; I400-W405 HydrophobicContact CG2-CZ2 3.52Å; I400-W405 WeakPolarHBondContact O-CZ2 3.4Å; I400-W405 PolarHBondContact O-NE1 3.3Å
401K95.3Very high96.8Very high155 Ų155102.9 Ų102.967%0.67447%0.472SS*.Hα-helixtrans-64.4-19.3-179.7-74.7174.3-175.9-178.70114.5L397 K403L397-K401 WeakPolarHBondContact O-CB 3.4Å; L397-K401 WeakPolarHBondContact O-CG 3.5Å; L397-K401 PolarHBondContact O-N 3.23Å; K401-K403 VanDerWaalsContact C-N 3.34Å
402K95.4Very high96.7Very high171 Ų171104.8 Ų104.874%0.74348%0.479SS*.Hα-helixtrans-79.6-18.8175.1-73.6168.3-173.5177.40112.9D398 E399 I400D398-K402 WeakPolarHBondContact O-CD 3.41Å; D398-K402 VanDerWaalsContact O-CG 3.27Å; D398-K402 WeakPolarHBondContact O-CG 3.32Å; D398-K402 PolarHBondContact O-N 3.19Å; E399-K402 PolarHBondContact O-N 3.22Å; I400-K402 PolarHBondContact O-N 3.13Å; I400-K402 VanDerWaalsContact O-N 3.17Å
403K95.5Very high96.7Very high90 Ų9099.3 Ų99.339%0.39146%0.461SS..SBendtrans-91.7155.9179.5-65.5-177.5169.3-156.60111.2I400 K401 W405 E412I400-K403 PolarHBondContact O-N 3.42Å; K401-K403 VanDerWaalsContact C-N 3.34Å; K403-W405 HydrophobicContact CB-CZ2 3.78Å; K403-W405 HydrophobicContact CD-CH2 4.32Å; K403-W405 HydrophobicContact CD-CZ2 4.05Å; K403-W405 HydrophobicContact CG-CZ2 4.47Å; K403-W405 VanDerWaalsContact O-CD1 3.29Å; K403-W405 PolarHBondContact O-NE1 3.31Å; K403-E412 HydrophobicContact CD-CG 4.43Å; K403-E412 WeakPolarHBondContact CD-OE1 3.44Å; K403-E412 WeakPolarHBondContact CE-OE1 3.4Å; K403-E412 IonicContact NZ-OE1 3.43Å; K403-E412 PolarHBondContact NZ-OE1 3.46Å; K403-E412 IonicContact NZ-OE2 3.55Å; K403-E412 PolarHBondContact NZ-OE2 2.8Å
404Q95.9Very high96.5Very high114 Ų114100.6 Ų100.653%0.53347%0.47SS..  trans-88144.6167.4-65.4-62-51.400109A413 S422Q404-A413 HydrophobicContact CB-CB 4.09Å; Q404-A413 PolarHBondContact O-N 3.44Å; Q404-S422 PolarHBondContact OE1-OG 3.35Å
405W96.6Very high96.3Very high92 Ų9296.8 Ų96.835%0.34846%0.456SS..BIsolated β-bridgetrans-123.4140.6-173.6-61.694.3000111.4I400 K403 Y407 E410I400-W405 HydrophobicContact CB-CZ2 3.9Å; I400-W405 HydrophobicContact CG1-CH2 4.32Å; I400-W405 HydrophobicContact CG1-CZ2 4Å; I400-W405 HydrophobicContact CG2-CH2 4.36Å; I400-W405 HydrophobicContact CG2-CZ2 3.52Å; I400-W405 WeakPolarHBondContact O-CZ2 3.4Å; I400-W405 PolarHBondContact O-NE1 3.3Å; K403-W405 HydrophobicContact CB-CZ2 3.78Å; K403-W405 HydrophobicContact CD-CH2 4.32Å; K403-W405 HydrophobicContact CD-CZ2 4.05Å; K403-W405 HydrophobicContact CG-CZ2 4.47Å; K403-W405 VanDerWaalsContact O-CD1 3.29Å; K403-W405 PolarHBondContact O-NE1 3.31Å; W405-Y407 PolarHBondContact O-N 2.97Å; W405-E410 WeakPolarHBondContact CZ3-O 3.39Å
406C97.3Very high96.1Very high3 Ų397 Ų972%0.0246%0.455CS..BIsolated β-bridgetrans-67.4123.3175.8-176.40000108.8Q408 E410 S411 S422 C424C406-Q408 PolarHBondContact O-N 2.91Å; C406-E410 WeakPolarHBondContact O-CA 3.22Å; C406-E410 PolarHBondContact O-N 2.96Å; C406-S411 VanDerWaalsContact CB-O 3.27Å; C406-S411 WeakPolarHBondContact CB-O 3.13Å; C406-S411 PolarHBondContact N-O 2.75Å; C406-S422 CarbonylContact C-O 3.56Å; C406-S422 VanDerWaalsContact CA-O 3.3Å; C406-S422 WeakPolarHBondContact CA-O 3.21Å; C406-C424 HydrophobicContact CB-CB 3.93Å; C406-C424 PolarHBondContact SG-N 2.88Å; C406-C424 VanDerWaalsContact SG-N 3.37Å
407Y96Very high95.9Very high134 Ų13492.2 Ų92.253%0.52543%0.432SS..THydrogen-bonded Turntrans-59.5-33.7177.5-174.1-83.5000112.1W405 S422 H432W405-Y407 PolarHBondContact O-N 2.97Å; Y407-S422 PolarHBondContact N-O 2.96Å; Y407-H432 AromaticContact CD1-CD2 3.63Å; Y407-H432 AromaticContact CD1-CE1 3.18Å; Y407-H432 WeakPolarHBondContact CD1-CE1 3.48Å; Y407-H432 AromaticContact CD1-CG 3.66Å; Y407-H432 AromaticContact CD1-ND1 3.36Å; Y407-H432 WeakPolarHBondContact CD1-ND1 3.35Å; Y407-H432 AromaticContact CD1-NE2 3.41Å; Y407-H432 WeakPolarHBondContact CD1-NE2 3.27Å; Y407-H432 AromaticContact CE1-CD2 3.51Å; Y407-H432 AromaticContact CE1-CE1 3.28Å; Y407-H432 WeakPolarHBondContact CE1-CE1 3.21Å; Y407-H432 AromaticContact CE1-ND1 3.89Å; Y407-H432 AromaticContact CE1-NE2 3.05Å; Y407-H432 WeakPolarHBondContact CE1-NE2 3.47Å; Y407-H432 AromaticContact CG-CE1 3.74Å; Y407-H432 AromaticContact CG-ND1 3.92Å; Y407-H432 AromaticContact CZ-CE1 3.9Å; Y407-H432 AromaticContact CZ-NE2 3.76Å
408Q95.2Very high95.7Very high67 Ų6788.3 Ų88.331%0.31341%0.413SS..THydrogen-bonded Turntrans-81.4-42.8-173.2-175.560.222.400113.7C406 C428 E431C406-Q408 PolarHBondContact O-N 2.91Å; Q408-C428 HydrophobicContact CB-CB 3.92Å; Q408-C428 HydrophobicContact CG-CB 4.28Å; Q408-E431 VanDerWaalsContact NE2-CD 3.26Å; Q408-E431 PolarHBondContact NE2-OE1 2.05Å; Q408-E431 PolarHBondContact NE2-OE2 3.08Å
409C96.4Very high95.3Very high53 Ų5394.7 Ų94.736%0.35843%0.431SS..THydrogen-bonded Turntrans-127.65.5-168.770.80000114.8S411 C424C409-S411 PolarHBondContact O-N 3.48Å; C409-S411 VanDerWaalsContact SG-CB 3.6Å; C409-C424 PolarHBondContact SG-SG 3.4Å
410E96.3Very high95.2Very high164 Ų16495.1 Ų95.177%0.76644%0.437SS*.  trans57.914178.7-53-176.8162.800114.9W405 C406W405-E410 WeakPolarHBondContact CZ3-O 3.39Å; C406-E410 WeakPolarHBondContact O-CA 3.22Å; C406-E410 PolarHBondContact O-N 2.96Å
411S96.7Very high95.2Very high62 Ų6292 Ų9243%0.43442%0.422SS..SBendtrans-81.3162.1170.1-60.40000111C406 C409 A413C406-S411 VanDerWaalsContact CB-O 3.27Å; C406-S411 WeakPolarHBondContact CB-O 3.13Å; C406-S411 PolarHBondContact N-O 2.75Å; C409-S411 PolarHBondContact O-N 3.48Å; C409-S411 VanDerWaalsContact SG-CB 3.6Å; S411-A413 PolarHBondContact O-N 2.74Å
412E97.2Very high95.2Very high104 Ų10485 Ų8549%0.48639%0.392SS..BIsolated β-bridgetrans-57.2124.5178.2-174.8161.1-169.200111K403 C424K403-E412 HydrophobicContact CD-CG 4.43Å; K403-E412 WeakPolarHBondContact CD-OE1 3.44Å; K403-E412 WeakPolarHBondContact CE-OE1 3.4Å; K403-E412 IonicContact NZ-OE1 3.43Å; K403-E412 PolarHBondContact NZ-OE1 3.46Å; K403-E412 IonicContact NZ-OE2 3.55Å; K403-E412 PolarHBondContact NZ-OE2 2.8Å; E412-C424 VanDerWaalsContact O-CB 3.26Å; E412-C424 WeakPolarHBondContact O-CB 3.19Å
413A97Very high95.3Very high15 Ų1576.8 Ų76.812%0.12436%0.356CS..PPolyproline II helixtrans-86.4141.4-176.900000112.1Q404 S411 Y423Q404-A413 HydrophobicContact CB-CB 4.09Å; Q404-A413 PolarHBondContact O-N 3.44Å; S411-A413 PolarHBondContact O-N 2.74Å; A413-Y423 WeakPolarHBondContact CA-O 3.25Å; A413-Y423 WeakPolarHBondContact CB-O 3Å
414I95.6Very high95.4Very high121 Ų12174 Ų7462%0.62135%0.348SS*.  trans-119.9-10.1175.658.5167000112.7Y423 C424I414-Y423 PolarHBondContact N-O 3.05Å; I414-C424 WeakPolarHBondContact CD1-O 3.35Å; I414-C424 VanDerWaalsContact CG1-O 3.24Å; I414-C424 WeakPolarHBondContact CG1-O 3.32Å
415Y94Very high95.4Very high79 Ų7969.9 Ų69.931%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-116.3115.8177.9-58.8-69.4000111S422 Y423 I480Y415-S422 CarbonylContact O-C 3.46Å; Y415-S422 VanDerWaalsContact O-CA 3.28Å; Y415-S422 WeakPolarHBondContact O-CA 3.41Å; Y415-Y423 PolarHBondContact N-O 2.65Å; Y415-Y423 PolarHBondContact O-N 3.34Å; Y415-I480 HydrophobicContact CD1-CD1 4.11Å; Y415-I480 HydrophobicContact CE1-CD1 4.19Å; Y415-I480 HydrophobicContact CG-CD1 4.45Å
416Y94.1Very high95.3Very high145 Ų14566.9 Ų66.957%0.56932%0.323SS*.EExtended strand (participates in β ladder)trans-81.5132.4172.7175.7-100.2000111.3C418 W419Y416-C418 WeakPolarHBondContact CE2-O 3.02Å; Y416-C418 VanDerWaalsContact CZ-C 3.43Å; Y416-C418 VanDerWaalsContact CZ-CA 3.49Å; Y416-C418 WeakPolarHBondContact OH-CA 3.45Å; Y416-W419 PolarHBondContact OH-N 3.21Å
417C93Very high95.3Very high3 Ų372.5 Ų72.52%0.0235%0.349CS..EExtended strand (participates in β ladder)trans-106.7-62.3173.3-1700000111.8T421 Y423 H436C417-T421 WeakPolarHBondContact CA-O 3.41Å; C417-T421 HydrophobicContact CB-CG2 4.37Å; C417-T421 VanDerWaalsContact CB-O 3.26Å; C417-T421 WeakPolarHBondContact CB-O 3.26Å; C417-T421 PolarHBondContact N-O 2.97Å; C417-Y423 HydrophobicContact CB-CD2 4.22Å; C417-Y423 HydrophobicContact CB-CE2 3.79Å; C417-H436 PolarHBondContact SG-NE2 2.84Å
418C93.3Very high95.3Very high9 Ų966.9 Ų66.96%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-156.7-178.6177.871.70000112.2Y416 N420 T421 H436 R441Y416-C418 WeakPolarHBondContact CE2-O 3.02Å; Y416-C418 VanDerWaalsContact CZ-C 3.43Å; Y416-C418 VanDerWaalsContact CZ-CA 3.49Å; Y416-C418 WeakPolarHBondContact OH-CA 3.45Å; C418-N420 PolarHBondContact O-N 3.21Å; C418-T421 PolarHBondContact N-O 3.26Å; C418-T421 VanDerWaalsContact N-O 3.07Å; C418-T421 PolarHBondContact O-N 3.33Å; C418-H436 VanDerWaalsContact SG-CE1 3.55Å; C418-R441 HydrophobicContact CB-CB 4.08Å
419W89.2Confident95.4Very high210 Ų21064.4 Ų64.480%0.79532%0.318SS*.THydrogen-bonded Turntrans-45-29.6-168.2174.2-100.7000116.7Y416Y416-W419 PolarHBondContact OH-N 3.21Å
420N93.1Very high95.3Very high130 Ų13066.8 Ų66.870%0.69532%0.324SS*.THydrogen-bonded Turntrans-133.228.6179.8-165.550000112.4C418C418-N420 PolarHBondContact O-N 3.21Å
421T95.6Very high95.3Very high12 Ų1265.5 Ų65.57%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-149.8120-177.2-46.70000111C417 C418 Y423 H436C417-T421 WeakPolarHBondContact CA-O 3.41Å; C417-T421 HydrophobicContact CB-CG2 4.37Å; C417-T421 VanDerWaalsContact CB-O 3.26Å; C417-T421 WeakPolarHBondContact CB-O 3.26Å; C417-T421 PolarHBondContact N-O 2.97Å; C418-T421 PolarHBondContact N-O 3.26Å; C418-T421 VanDerWaalsContact N-O 3.07Å; C418-T421 PolarHBondContact O-N 3.33Å; T421-Y423 HydrophobicContact CG2-CE1 4.2Å; T421-Y423 HydrophobicContact CG2-CE2 3.84Å; T421-Y423 VanDerWaalsContact CG2-OH 3.29Å; T421-Y423 WeakPolarHBondContact CG2-OH 3.43Å; T421-H436 PolarHBondContact OG1-CE1 2.95Å
422S96.9Very high95.2Very high6 Ų663 Ų634%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-138158.7176.3-60.40000108.8Q404 C406 Y407 Y415Q404-S422 PolarHBondContact OE1-OG 3.35Å; C406-S422 CarbonylContact C-O 3.56Å; C406-S422 VanDerWaalsContact CA-O 3.3Å; C406-S422 WeakPolarHBondContact CA-O 3.21Å; Y407-S422 PolarHBondContact N-O 2.96Å; Y415-S422 CarbonylContact O-C 3.46Å; Y415-S422 VanDerWaalsContact O-CA 3.28Å; Y415-S422 WeakPolarHBondContact O-CA 3.41Å
423Y97.3Very high95Very high0 Ų062.4 Ų62.40%029%0.292CS..EExtended strand (participates in β ladder)trans-134.5150.4-178.1-56.2-76.5000111.9A413 I414 Y415 C417 T421 C428 Q429 H432A413-Y423 WeakPolarHBondContact CA-O 3.25Å; A413-Y423 WeakPolarHBondContact CB-O 3Å; I414-Y423 PolarHBondContact N-O 3.05Å; Y415-Y423 PolarHBondContact N-O 2.65Å; Y415-Y423 PolarHBondContact O-N 3.34Å; C417-Y423 HydrophobicContact CB-CD2 4.22Å; C417-Y423 HydrophobicContact CB-CE2 3.79Å; T421-Y423 HydrophobicContact CG2-CE1 4.2Å; T421-Y423 HydrophobicContact CG2-CE2 3.84Å; T421-Y423 VanDerWaalsContact CG2-OH 3.29Å; T421-Y423 WeakPolarHBondContact CG2-OH 3.43Å; Y423-C428 HydrophobicContact CD1-CB 4.32Å; Y423-Q429 HydrophobicContact CD1-CB 4.16Å; Y423-Q429 HydrophobicContact CD2-CB 3.57Å; Y423-Q429 HydrophobicContact CD2-CG 3.73Å; Y423-Q429 HydrophobicContact CE1-CB 4.4Å; Y423-Q429 HydrophobicContact CE2-CB 3.83Å; Y423-Q429 HydrophobicContact CE2-CG 3.55Å; Y423-Q429 HydrophobicContact CG-CB 3.74Å; Y423-Q429 HydrophobicContact CG-CG 4.39Å; Y423-H432 HydrophobicContact CE1-CB 3.82Å; Y423-H432 AromaticContact CE1-ND1 3.59Å; Y423-H432 AromaticContact CZ-ND1 3.62Å; Y423-H432 PolarHBondContact OH-ND1 3.48Å
424C96.5Very high94.8Very high31 Ų3167.8 Ų67.821%0.20932%0.315CS..SBendtrans-83.2-22.8172.266.70000112.8C406 C409 E412 I414 C428C406-C424 HydrophobicContact CB-CB 3.93Å; C406-C424 PolarHBondContact SG-N 2.88Å; C406-C424 VanDerWaalsContact SG-N 3.37Å; C409-C424 PolarHBondContact SG-SG 3.4Å; E412-C424 VanDerWaalsContact O-CB 3.26Å; E412-C424 WeakPolarHBondContact O-CB 3.19Å; I414-C424 WeakPolarHBondContact CD1-O 3.35Å; I414-C424 VanDerWaalsContact CG1-O 3.24Å; I414-C424 WeakPolarHBondContact CG1-O 3.32Å; C424-C428 VanDerWaalsContact SG-SG 3.61Å
425S96Very high94.8Very high27 Ų2766.9 Ų66.919%0.18932%0.315CS..SBendtrans-151.9165.4-176.392.20000111.8E427 C428 Q429S425-E427 VanDerWaalsContact C-N 3.28Å; S425-E427 WeakPolarHBondContact CB-OE2 3.15Å; S425-E427 PolarHBondContact OG-N 3.31Å; S425-E427 PolarHBondContact OG-OE2 3.39Å; S425-C428 PolarHBondContact OG-N 3.32Å; S425-Q429 PolarHBondContact O-N 3.44Å
426V95.1Very high94.8Very high30 Ų3063.2 Ų63.218%0.18230%0.301CS..Hα-helixtrans-66.2-37.3176.5-1750000110.8Q429 Q430 I480V426-Q429 WeakPolarHBondContact O-CB 3.49Å; V426-Q429 PolarHBondContact O-N 3.28Å; V426-Q429 VanDerWaalsContact O-N 3.16Å; V426-Q430 WeakPolarHBondContact O-CG 3.21Å; V426-Q430 PolarHBondContact O-N 2.84Å; V426-I480 HydrophobicContact CB-CD1 4.34Å; V426-I480 HydrophobicContact CB-CG1 4.42Å; V426-I480 HydrophobicContact CG1-CB 4.4Å; V426-I480 HydrophobicContact CG1-CD1 4.36Å; V426-I480 HydrophobicContact CG1-CG1 3.97Å; V426-I480 HydrophobicContact CG1-CG2 3.62Å; V426-I480 HydrophobicContact CG2-CD1 3.44Å; V426-I480 VanDerWaalsContact CG2-CD1 3.44Å; V426-I480 HydrophobicContact CG2-CG1 3.71Å
427E96.7Very high94.7Very high121 Ų12163.3 Ų63.357%0.56530%0.3SS*.Hα-helixtrans-63-46179.9-57.371.3-151.300110.2S425 Q429 Q430 E431S425-E427 VanDerWaalsContact C-N 3.28Å; S425-E427 WeakPolarHBondContact CB-OE2 3.15Å; S425-E427 PolarHBondContact OG-N 3.31Å; S425-E427 PolarHBondContact OG-OE2 3.39Å; E427-Q429 VanDerWaalsContact C-N 3.28Å; E427-Q429 PolarHBondContact O-N 2.99Å; E427-Q430 PolarHBondContact O-N 3.13Å; E427-E431 PolarHBondContact O-N 3.01Å
428C97.4Very high94.6Very high15 Ų1567.6 Ų67.610%0.10134%0.336CS..Hα-helixtrans-61.2-36.5173.9-80.60000112.6Q408 Y423 C424 S425 H432Q408-C428 HydrophobicContact CB-CB 3.92Å; Q408-C428 HydrophobicContact CG-CB 4.28Å; Y423-C428 HydrophobicContact CD1-CB 4.32Å; C424-C428 VanDerWaalsContact SG-SG 3.61Å; S425-C428 PolarHBondContact OG-N 3.32Å; C428-H432 PolarHBondContact O-N 2.95Å
429Q95.4Very high94.6Very high15 Ų1571.9 Ų71.97%0.0736%0.362CS..Hα-helixtrans-66.9-43.5175.7178.6175.6-1200111.6Y423 S425 V426 E427 W433Y423-Q429 HydrophobicContact CD1-CB 4.16Å; Y423-Q429 HydrophobicContact CD2-CB 3.57Å; Y423-Q429 HydrophobicContact CD2-CG 3.73Å; Y423-Q429 HydrophobicContact CE1-CB 4.4Å; Y423-Q429 HydrophobicContact CE2-CB 3.83Å; Y423-Q429 HydrophobicContact CE2-CG 3.55Å; Y423-Q429 HydrophobicContact CG-CB 3.74Å; Y423-Q429 HydrophobicContact CG-CG 4.39Å; S425-Q429 PolarHBondContact O-N 3.44Å; V426-Q429 WeakPolarHBondContact O-CB 3.49Å; V426-Q429 PolarHBondContact O-N 3.28Å; V426-Q429 VanDerWaalsContact O-N 3.16Å; E427-Q429 VanDerWaalsContact C-N 3.28Å; E427-Q429 PolarHBondContact O-N 2.99Å; Q429-W433 WeakPolarHBondContact O-CA 3.26Å; Q429-W433 WeakPolarHBondContact O-CB 3.47Å; Q429-W433 PolarHBondContact O-N 3.3Å
430Q94.9Very high94.8Very high103 Ų10363.5 Ų63.548%0.48134%0.335SS..Hα-helixtrans-62.3-43.1178.3-74.4173.510.900111.5V426 E427 W433 I481V426-Q430 WeakPolarHBondContact O-CG 3.21Å; V426-Q430 PolarHBondContact O-N 2.84Å; E427-Q430 PolarHBondContact O-N 3.13Å; Q430-W433 VanDerWaalsContact O-CB 3.31Å; Q430-W433 WeakPolarHBondContact O-CB 3.46Å; Q430-W433 PolarHBondContact O-N 2.94Å; Q430-I481 HydrophobicContact CG-CD1 3.2Å
431E95.7Very high94.7Very high137 Ų13766.5 Ų66.564%0.6434%0.337SS*.Hα-helixtrans-64.1-41.5-179.7-166.7177.8-172.400112.3Q408 E427 W433Q408-E431 VanDerWaalsContact NE2-CD 3.26Å; Q408-E431 PolarHBondContact NE2-OE1 2.05Å; Q408-E431 PolarHBondContact NE2-OE2 3.08Å; E427-E431 PolarHBondContact O-N 3.01Å; E431-W433 VanDerWaalsContact C-N 3.33Å
432H94.9Very high94.2Very high11 Ų1172.7 Ų72.75%0.05136%0.359CS..Hα-helixtrans-81-9.3176.3-176.6-133000113.7Y407 Y423 C428 E434 T435 H436Y407-H432 AromaticContact CD1-CD2 3.63Å; Y407-H432 AromaticContact CD1-CE1 3.18Å; Y407-H432 WeakPolarHBondContact CD1-CE1 3.48Å; Y407-H432 AromaticContact CD1-CG 3.66Å; Y407-H432 AromaticContact CD1-ND1 3.36Å; Y407-H432 WeakPolarHBondContact CD1-ND1 3.35Å; Y407-H432 AromaticContact CD1-NE2 3.41Å; Y407-H432 WeakPolarHBondContact CD1-NE2 3.27Å; Y407-H432 AromaticContact CE1-CD2 3.51Å; Y407-H432 AromaticContact CE1-CE1 3.28Å; Y407-H432 WeakPolarHBondContact CE1-CE1 3.21Å; Y407-H432 AromaticContact CE1-ND1 3.89Å; Y407-H432 AromaticContact CE1-NE2 3.05Å; Y407-H432 WeakPolarHBondContact CE1-NE2 3.47Å; Y407-H432 AromaticContact CG-CE1 3.74Å; Y407-H432 AromaticContact CG-ND1 3.92Å; Y407-H432 AromaticContact CZ-CE1 3.9Å; Y407-H432 AromaticContact CZ-NE2 3.76Å; Y423-H432 HydrophobicContact CE1-CB 3.82Å; Y423-H432 AromaticContact CE1-ND1 3.59Å; Y423-H432 AromaticContact CZ-ND1 3.62Å; Y423-H432 PolarHBondContact OH-ND1 3.48Å; C428-H432 PolarHBondContact O-N 2.95Å; H432-E434 VanDerWaalsContact C-N 3.34Å; H432-E434 PolarHBondContact O-N 3.42Å; H432-T435 PolarHBondContact CD2-OG1 3.09Å; H432-T435 PolarHBondContact NE2-OG1 3.26Å; H432-T435 PolarHBondContact O-N 3.32Å; H432-T435 PolarHBondContact O-OG1 3.21Å; H432-T435 VanDerWaalsContact O-OG1 3.09Å; H432-H436 VanDerWaalsContact CE1-CB 3.48Å; H432-H436 WeakPolarHBondContact CE1-CB 3.47Å; H432-H436 AromaticContact CE1-CG 3.87Å; H432-H436 AromaticContact CE1-ND1 3.91Å; H432-H436 WeakPolarHBondContact O-CB 3.2Å; H432-H436 PolarHBondContact O-N 2.85Å
433W93.3Very high93.3Very high90 Ų9081.4 Ų81.434%0.34140%0.396SS..Hα-helixtrans-60.5-41.1-165.9-176.1-119000113.5Q429 Q430 E431 T435 H436 R437Q429-W433 WeakPolarHBondContact O-CA 3.26Å; Q429-W433 WeakPolarHBondContact O-CB 3.47Å; Q429-W433 PolarHBondContact O-N 3.3Å; Q430-W433 VanDerWaalsContact O-CB 3.31Å; Q430-W433 WeakPolarHBondContact O-CB 3.46Å; Q430-W433 PolarHBondContact O-N 2.94Å; E431-W433 VanDerWaalsContact C-N 3.33Å; W433-T435 VanDerWaalsContact C-N 3.28Å; W433-T435 PolarHBondContact O-N 3.24Å; W433-H436 PolarHBondContact O-N 3.01Å; W433-R437 HydrophobicContact CD2-CB 4.23Å; W433-R437 HydrophobicContact CH2-CB 4.42Å; W433-R437 HydrophobicContact CZ2-CB 4.03Å; W433-R437 WeakPolarHBondContact O-CB 3.44Å; W433-R437 PolarHBondContact O-N 2.94Å
434E93.5Very high92.1Very high129 Ų12990.7 Ų90.760%0.60344%0.436SS*.Hα-helixtrans-60.9-37.3-175.8-70.7-55.1147.600112.8H432 R437H432-E434 VanDerWaalsContact C-N 3.34Å; H432-E434 PolarHBondContact O-N 3.42Å; E434-R437 IonicContact OE2-CZ 2.83Å; E434-R437 IonicContact OE2-NH1 3.63Å; E434-R437 PolarHBondContact OE2-NH1 3.18Å
435T94.1Very high90.6Very high101 Ų10192.9 Ų92.962%0.6245%0.449SS*.Hα-helixtrans-84.9-31.7176.451.50000112.4H432 W433H432-T435 PolarHBondContact CD2-OG1 3.09Å; H432-T435 PolarHBondContact NE2-OG1 3.26Å; H432-T435 PolarHBondContact O-N 3.32Å; H432-T435 PolarHBondContact O-OG1 3.21Å; H432-T435 VanDerWaalsContact O-OG1 3.09Å; W433-T435 VanDerWaalsContact C-N 3.28Å; W433-T435 PolarHBondContact O-N 3.24Å
436H94.4Very high88.9Confident3 Ų394.7 Ų94.71%0.01446%0.459CS..Hα-helixtrans-74.5-38.9-178.2-172.351.2000114C417 C418 T421 H432 W433 A438 T439 C440C417-H436 PolarHBondContact SG-NE2 2.84Å; C418-H436 VanDerWaalsContact SG-CE1 3.55Å; T421-H436 PolarHBondContact OG1-CE1 2.95Å; H432-H436 VanDerWaalsContact CE1-CB 3.48Å; H432-H436 WeakPolarHBondContact CE1-CB 3.47Å; H432-H436 AromaticContact CE1-CG 3.87Å; H432-H436 AromaticContact CE1-ND1 3.91Å; H432-H436 WeakPolarHBondContact O-CB 3.2Å; H432-H436 PolarHBondContact O-N 2.85Å; W433-H436 PolarHBondContact O-N 3.01Å; H436-A438 PolarHBondContact O-N 2.8Å; H436-T439 PolarHBondContact O-N 3.43Å; H436-T439 PolarHBondContact O-OG1 3.19Å; H436-T439 VanDerWaalsContact O-OG1 3.1Å; H436-C440 WeakPolarHBondContact NE2-CB 3.26Å; H436-C440 PolarHBondContact NE2-SG 3.14Å; H436-C440 VanDerWaalsContact NE2-SG 3.36Å; H436-C440 PolarHBondContact O-N 3.24Å
437R92.4Very high87.4Confident146 Ų14697.8 Ų97.855%0.55148%0.477SS*.THydrogen-bonded Turntrans-51.7-34.4-165.768.7-174.7-133.7-165.16.3114.4W433 E434 T439W433-R437 HydrophobicContact CD2-CB 4.23Å; W433-R437 HydrophobicContact CH2-CB 4.42Å; W433-R437 HydrophobicContact CZ2-CB 4.03Å; W433-R437 WeakPolarHBondContact O-CB 3.44Å; W433-R437 PolarHBondContact O-N 2.94Å; E434-R437 IonicContact OE2-CZ 2.83Å; E434-R437 IonicContact OE2-NH1 3.63Å; E434-R437 PolarHBondContact OE2-NH1 3.18Å; R437-T439 VanDerWaalsContact C-N 3.32Å; R437-T439 PolarHBondContact O-N 2.81Å
438A91.3Very high85.7Confident94 Ų9499.3 Ų99.378%0.77749%0.485SS*.THydrogen-bonded Turntrans-73-24.3-178.500000113.2H436H436-A438 PolarHBondContact O-N 2.8Å
439T92.9Very high83.9Confident99 Ų99103.7 Ų103.761%0.60750%0.503SS*.THydrogen-bonded Turntrans-110.5-3.1-177.261.40000113H436 R437 R441H436-T439 PolarHBondContact O-N 3.43Å; H436-T439 PolarHBondContact O-OG1 3.19Å; H436-T439 VanDerWaalsContact O-OG1 3.1Å; R437-T439 VanDerWaalsContact C-N 3.32Å; R437-T439 PolarHBondContact O-N 2.81Å; T439-R441 PolarHBondContact O-N 3.25Å
440C93.2Very high82.3Confident33 Ų33105 Ų10522%0.22351%0.511CS..  trans-61.9122.8-179.1-170.10000111.2H436 R442H436-C440 WeakPolarHBondContact NE2-CB 3.26Å; H436-C440 PolarHBondContact NE2-SG 3.14Å; H436-C440 VanDerWaalsContact NE2-SG 3.36Å; H436-C440 PolarHBondContact O-N 3.24Å; C440-R442 VanDerWaalsContact C-N 3.34Å
441R91.1Very high81Confident194 Ų194105.1 Ų105.173%0.73251%0.514SS*.  trans-89.25.5177.9-60.9-173.9179.8-171.8-0.4113.8C418 T439 K443C418-R441 HydrophobicContact CB-CB 4.08Å; T439-R441 PolarHBondContact O-N 3.25Å; R441-K443 PolarHBondContact O-N 3.48Å
442R85.9Confident79.3Confident141 Ų141105.4 Ų105.453%0.53251%0.513SS..  trans-74.1121.3179-162.9171.9-175.3-179.41109.1C440 K444C440-R442 VanDerWaalsContact C-N 3.34Å; R442-K444 PolarHBondContact O-N 2.95Å
443K77.8Confident77.7Confident189 Ų189112.1 Ų112.182%0.82254%0.542SS*.  trans-61.5130.7176.4-68.3-175.3-179.7-179.30108.9R441 T445R441-K443 PolarHBondContact O-N 3.48Å; K443-T445 PolarHBondContact O-N 3.43Å; K443-T445 VanDerWaalsContact O-N 3.11Å
444K71.7Confident76.1Confident196 Ų196112.5 Ų112.585%0.85255%0.551SS**  trans-62.2112.4170.2-66.2-178.6179.1-179.60107.7R442 T446R442-K444 PolarHBondContact O-N 2.95Å; K444-T446 PolarHBondContact O-N 3.36Å; K444-T446 VanDerWaalsContact O-N 3.12Å
445T64.7Low74.6Confident77 Ų77112.8 Ų112.847%0.47255%0.551SS.*  trans-63.5112.8170.4-51.80000107.2K443 Q449 L450K443-T445 PolarHBondContact O-N 3.43Å; K443-T445 VanDerWaalsContact O-N 3.11Å; T445-Q449 HydrophobicContact CG2-CB 3.93Å; T445-L450 HydrophobicContact CG2-CD1 3.78Å; T445-L450 HydrophobicContact CG2-CG 3.9Å
446T60.7Low72.8Confident64 Ų64113.5 Ų113.539%0.39355%0.545SS..  trans-68.1149.8176.456.50000109.1K444 E448 Q449 L450K444-T446 PolarHBondContact O-N 3.36Å; K444-T446 VanDerWaalsContact O-N 3.12Å; T446-E448 PolarHBondContact O-N 2.86Å; T446-E448 VanDerWaalsContact O-N 3.15Å; T446-Q449 WeakPolarHBondContact O-CB 3.41Å; T446-Q449 PolarHBondContact O-N 3.01Å; T446-Q449 WeakPolarHBondContact OG1-CG 3.24Å; T446-Q449 PolarHBondContact OG1-N 2.79Å; T446-L450 PolarHBondContact O-N 3.24Å
447V63.2Low70.9Confident95 Ų95117.4 Ų117.458%0.57656%0.562SS**Hα-helixtrans-53.9-35.7177179.40000110.6Q449 L450 I451V447-Q449 PolarHBondContact O-N 2.99Å; V447-L450 WeakPolarHBondContact O-CB 3.35Å; V447-L450 PolarHBondContact O-N 3.35Å; V447-I451 HydrophobicContact CG1-CD1 3.83Å; V447-I451 HydrophobicContact CG1-CG1 4.34Å; V447-I451 VanDerWaalsContact O-CG1 3.3Å; V447-I451 WeakPolarHBondContact O-CG1 3.34Å; V447-I451 PolarHBondContact O-N 2.82Å
448E61.8Low69.1Low154 Ų154115.5 Ų115.572%0.7256%0.56SS**Hα-helixtrans-59.4-41.1173.6-67.3169.5169.600113.3T446 I451 F452T446-E448 PolarHBondContact O-N 2.86Å; T446-E448 VanDerWaalsContact O-N 3.15Å; E448-I451 PolarHBondContact O-N 3.08Å; E448-F452 VanDerWaalsContact O-CB 3.28Å; E448-F452 WeakPolarHBondContact O-CB 3.18Å; E448-F452 PolarHBondContact O-N 2.98Å
449Q59.6Low67.4Low106 Ų106120.3 Ų120.350%0.49556%0.558SS.*Hα-helixtrans-68.5-35.1176.3-75.4176.1-7.900112T445 T446 V447 F453T445-Q449 HydrophobicContact CG2-CB 3.93Å; T446-Q449 WeakPolarHBondContact O-CB 3.41Å; T446-Q449 PolarHBondContact O-N 3.01Å; T446-Q449 WeakPolarHBondContact OG1-CG 3.24Å; T446-Q449 PolarHBondContact OG1-N 2.79Å; V447-Q449 PolarHBondContact O-N 2.99Å; Q449-F453 WeakPolarHBondContact O-CB 3.44Å; Q449-F453 PolarHBondContact O-N 3.4Å
450L62.2Low65.5Low42 Ų42119.1 Ų119.122%0.2255%0.551CS.*Hα-helixtrans-68.2-40.6175.4-102.3145.1000112.5T445 T446 V447 N454 F479T445-L450 HydrophobicContact CG2-CD1 3.78Å; T445-L450 HydrophobicContact CG2-CG 3.9Å; T446-L450 PolarHBondContact O-N 3.24Å; V447-L450 WeakPolarHBondContact O-CB 3.35Å; V447-L450 PolarHBondContact O-N 3.35Å; L450-N454 WeakPolarHBondContact O-CB 3.26Å; L450-N454 PolarHBondContact O-N 3.09Å; L450-N454 VanDerWaalsContact O-N 3.12Å; L450-N454 PolarHBondContact O-ND2 3.44Å; L450-F479 HydrophobicContact CD1-CE1 4.48Å; L450-F479 HydrophobicContact CD2-CE1 3.71Å; L450-F479 HydrophobicContact CD2-CZ 3.75Å
451I65.7Low63.4Low107 Ų107121.2 Ų121.255%0.54956%0.556SS.*Hα-helixtrans-66.9-46.5174.1-66.3167.9000109.4V447 E448 F453 N454 F455V447-I451 HydrophobicContact CG1-CD1 3.83Å; V447-I451 HydrophobicContact CG1-CG1 4.34Å; V447-I451 VanDerWaalsContact O-CG1 3.3Å; V447-I451 WeakPolarHBondContact O-CG1 3.34Å; V447-I451 PolarHBondContact O-N 2.82Å; E448-I451 PolarHBondContact O-N 3.08Å; I451-F453 PolarHBondContact O-N 3.42Å; I451-N454 PolarHBondContact O-N 2.89Å; I451-F455 VanDerWaalsContact O-CB 3.29Å; I451-F455 WeakPolarHBondContact O-CB 3.46Å; I451-F455 PolarHBondContact O-N 3.08Å
452F61.5Low61.4Low142 Ų142115.3 Ų115.362%0.62354%0.539SS*.Hα-helixtrans-63.9-41.3-179.7-162.1-91.5000112.3E448 F455 F456E448-F452 VanDerWaalsContact O-CB 3.28Å; E448-F452 WeakPolarHBondContact O-CB 3.18Å; E448-F452 PolarHBondContact O-N 2.98Å; F452-F455 PolarHBondContact O-N 3.2Å; F452-F456 HydrophobicContact CE1-CD2 4.12Å; F452-F456 HydrophobicContact CZ-CD2 4.41Å; F452-F456 VanDerWaalsContact O-CB 3.24Å; F452-F456 WeakPolarHBondContact O-CB 3.29Å; F452-F456 PolarHBondContact O-N 2.97Å
453F60Low59.9Low152 Ų152113 Ų11367%0.66754%0.544SS*.Hα-helixtrans-63.4-45.8175.4-121.2-87.4000111.7Q449 I451 F455 F456 F457Q449-F453 WeakPolarHBondContact O-CB 3.44Å; Q449-F453 PolarHBondContact O-N 3.4Å; I451-F453 PolarHBondContact O-N 3.42Å; F453-F455 VanDerWaalsContact C-N 3.33Å; F453-F455 PolarHBondContact O-N 3.39Å; F453-F456 PolarHBondContact O-N 3.02Å; F453-F457 WeakPolarHBondContact O-CB 3.26Å; F453-F457 PolarHBondContact O-N 2.85Å
454N61Low58.7Low99 Ų99112.4 Ų112.453%0.52955%0.545SS..Hα-helixtrans-62.1-42.7176.1-87.5-64000111.8L450 I451 Q458L450-N454 WeakPolarHBondContact O-CB 3.26Å; L450-N454 PolarHBondContact O-N 3.09Å; L450-N454 VanDerWaalsContact O-N 3.12Å; L450-N454 PolarHBondContact O-ND2 3.44Å; I451-N454 PolarHBondContact O-N 2.89Å; N454-Q458 VanDerWaalsContact O-CB 3.29Å; N454-Q458 WeakPolarHBondContact O-CB 3.12Å; N454-Q458 VanDerWaalsContact O-CG 3.31Å; N454-Q458 WeakPolarHBondContact O-CG 3.44Å; N454-Q458 PolarHBondContact O-N 3.17Å
455F61.9Low57.6Low135 Ų135107.4 Ų107.459%0.59253%0.526SS*.Hα-helixtrans-68.2-39.6-179.2-147.6-89000112.1I451 F452 F453 R459I451-F455 VanDerWaalsContact O-CB 3.29Å; I451-F455 WeakPolarHBondContact O-CB 3.46Å; I451-F455 PolarHBondContact O-N 3.08Å; F452-F455 PolarHBondContact O-N 3.2Å; F453-F455 VanDerWaalsContact C-N 3.33Å; F453-F455 PolarHBondContact O-N 3.39Å; F455-R459 WeakPolarHBondContact O-CB 3.49Å; F455-R459 PolarHBondContact O-N 3.18Å
456F55.6Low57.1Low116 Ų116112.1 Ų112.151%0.50955%0.549SS..Hα-helixtrans-72.9-43.4178.6-156.5-92.3000111.5F452 F453 Q458 R459 T460F452-F456 HydrophobicContact CE1-CD2 4.12Å; F452-F456 HydrophobicContact CZ-CD2 4.41Å; F452-F456 VanDerWaalsContact O-CB 3.24Å; F452-F456 WeakPolarHBondContact O-CB 3.29Å; F452-F456 PolarHBondContact O-N 2.97Å; F453-F456 PolarHBondContact O-N 3.02Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; F456-Q458 PolarHBondContact O-N 3.46Å; F456-R459 PolarHBondContact O-N 3.4Å; F456-T460 HydrophobicContact CD1-CG2 3.95Å; F456-T460 HydrophobicContact CE1-CG2 3.55Å; F456-T460 HydrophobicContact CZ-CG2 3.94Å; F456-T460 PolarHBondContact O-N 3.48Å; F456-T460 PolarHBondContact O-OG1 3.31Å
457F53.9Low56.6Low84 Ų84111.8 Ų111.837%0.36855%0.547SS..Hα-helixtrans-65.1-37.7178-151.4-90.8000111.9F453 R459 F461 W472F453-F457 WeakPolarHBondContact O-CB 3.26Å; F453-F457 PolarHBondContact O-N 2.85Å; F457-R459 VanDerWaalsContact C-N 3.27Å; F457-R459 PolarHBondContact O-N 2.99Å; F457-F461 HydrophobicContact CD1-CB 4.46Å; F457-F461 HydrophobicContact CE1-CB 4.37Å; F457-F461 HydrophobicContact CE1-CD1 4.38Å; F457-F461 HydrophobicContact CZ-CD1 4.49Å; F457-F461 PolarHBondContact O-N 3.25Å; F457-W472 HydrophobicContact CZ-CE3 4.07Å; F457-W472 HydrophobicContact CZ-CZ3 4.42Å
458Q55.3Low55.7Low106 Ų106111.5 Ų111.550%0.49555%0.547SS..Hα-helixtrans-63.4-32.7170.7-81.1-178.3-27.100112.7N454 F456 L462N454-Q458 VanDerWaalsContact O-CB 3.29Å; N454-Q458 WeakPolarHBondContact O-CB 3.12Å; N454-Q458 VanDerWaalsContact O-CG 3.31Å; N454-Q458 WeakPolarHBondContact O-CG 3.44Å; N454-Q458 PolarHBondContact O-N 3.17Å; F456-Q458 VanDerWaalsContact C-N 3.34Å; F456-Q458 PolarHBondContact O-N 3.46Å; Q458-L462 HydrophobicContact CB-CD1 4.31Å; Q458-L462 HydrophobicContact CG-CD1 3.99Å
459R55Low54.8Low195 Ų195108.9 Ų108.974%0.73654%0.537SS*.Hα-helixtrans-87.4-30-174.2-168.4174.3167.3177.6-3.8114.2F455 F456 F457F455-R459 WeakPolarHBondContact O-CB 3.49Å; F455-R459 PolarHBondContact O-N 3.18Å; F456-R459 PolarHBondContact O-N 3.4Å; F457-R459 VanDerWaalsContact C-N 3.27Å; F457-R459 PolarHBondContact O-N 2.99Å
460T53.5Low54.2Low75 Ų75114.3 Ų114.346%0.4655%0.553SS.*Hα-helixtrans-99.2-26.6-176.852.10000114.7F456F456-T460 HydrophobicContact CD1-CG2 3.95Å; F456-T460 HydrophobicContact CE1-CG2 3.55Å; F456-T460 HydrophobicContact CZ-CG2 3.94Å; F456-T460 PolarHBondContact O-N 3.48Å; F456-T460 PolarHBondContact O-OG1 3.31Å
461F49.2Very low53.2Low77 Ų77117.9 Ų117.934%0.33857%0.573SS.*THydrogen-bonded Turntrans-109.8-28.5-168.8-146.1-104.3000114F457 L465 W472F457-F461 HydrophobicContact CD1-CB 4.46Å; F457-F461 HydrophobicContact CE1-CB 4.37Å; F457-F461 HydrophobicContact CE1-CD1 4.38Å; F457-F461 HydrophobicContact CZ-CD1 4.49Å; F457-F461 PolarHBondContact O-N 3.25Å; F461-L465 HydrophobicContact CE1-CD1 3.92Å; F461-L465 HydrophobicContact CZ-CD1 4.07Å; F461-W472 HydrophobicContact CE1-CH2 4.26Å; F461-W472 AromaticContact CE1-CZ2 3.87Å; F461-W472 HydrophobicContact CE1-CZ2 3.87Å; F461-W472 HydrophobicContact CZ-CH2 4.38Å; F461-W472 HydrophobicContact CZ-CZ2 4.27Å
462L50.3Low51.9Low69 Ų69120 Ų12036%0.36157%0.573SS.*THydrogen-bonded Turntrans-83.7-8.5-177.6-64.9175000114.5Q458 L469Q458-L462 HydrophobicContact CB-CD1 4.31Å; Q458-L462 HydrophobicContact CG-CD1 3.99Å; L462-L469 HydrophobicContact CD1-CD1 3.49Å; L462-L469 VanDerWaalsContact CD1-CD1 3.49Å; L462-L469 HydrophobicContact CD2-CD1 4.28Å
463S53.2Low50.7Low94 Ų94118.2 Ų118.266%0.65757%0.57SS**THydrogen-bonded Turntrans-79.2-21.5176.757.30000113.6
464E52.2Low49.6Very low176 Ų176114.8 Ų114.882%0.82256%0.563SS**THydrogen-bonded Turntrans-112-18.5-175.2-69.5-168.1172.300114.4
465L49.2Very low48.4Very low90 Ų90114.9 Ų114.947%0.47157%0.571SS.*  trans-123.7103179.1-70167.6000108.6F461 V467F461-L465 HydrophobicContact CE1-CD1 3.92Å; F461-L465 HydrophobicContact CZ-CD1 4.07Å; L465-V467 HydrophobicContact CB-CG2 4.07Å; L465-V467 PolarHBondContact O-N 3.48Å
466N55.1Low47.2Very low176 Ų176118.4 Ų118.494%0.94159%0.587SS**  trans-69.761.3173-162.318.8000110.2
467V49Very low46.2Very low58 Ų58114.4 Ų114.435%0.35258%0.578SS.*  trans-115.1125.7179.8-175.90000107.5L465L465-V467 HydrophobicContact CB-CG2 4.07Å; L465-V467 PolarHBondContact O-N 3.48Å
468P44.8Very low45.6Very low89 Ų89113.7 Ų113.758%0.57858%0.583SS**  trans-63140.8-175.420.1-28000112.6R470 D471P468-R470 PolarHBondContact O-N 3.36Å; P468-D471 PolarHBondContact O-N 2.96Å
469L43.8Very low44.7Very low98 Ų98115.7 Ų115.751%0.51359%0.591SS.*G310 helixtrans-49.4-21.6-175.2-138.796.4000115.4L462 D471L462-L469 HydrophobicContact CD1-CD1 3.49Å; L462-L469 VanDerWaalsContact CD1-CD1 3.49Å; L462-L469 HydrophobicContact CD2-CD1 4.28Å; L469-D471 VanDerWaalsContact C-N 3.3Å; L469-D471 PolarHBondContact O-N 3.32Å
470R45.3Very low43.7Very low220 Ų220107.9 Ų107.983%0.8356%0.563SS**G310 helixtrans-67.1-27.4-177.1-94.5-175.6-167.7-126.72.7113.8P468P468-R470 PolarHBondContact O-N 3.36Å
471D42Very low42.8Very low118 Ų118108.5 Ų108.563%0.63156%0.563SS**G310 helixtrans-86.8-16.1-171.2-61.6-24.5000113.1P468 L469P468-D471 PolarHBondContact O-N 2.96Å; L469-D471 VanDerWaalsContact C-N 3.3Å; L469-D471 PolarHBondContact O-N 3.32Å
472W38.1Very low41.9Very low150 Ų150115.1 Ų115.157%0.56860%0.595SS**THydrogen-bonded Turntrans-108.6-7.2-179.5-84.887.9000114.7F457 F461 P474F457-W472 HydrophobicContact CZ-CE3 4.07Å; F457-W472 HydrophobicContact CZ-CZ3 4.42Å; F461-W472 HydrophobicContact CE1-CH2 4.26Å; F461-W472 AromaticContact CE1-CZ2 3.87Å; F461-W472 HydrophobicContact CE1-CZ2 3.87Å; F461-W472 HydrophobicContact CZ-CH2 4.38Å; F461-W472 HydrophobicContact CZ-CZ2 4.27Å; W472-P474 VanDerWaalsContact O-CD 3.26Å; W472-P474 WeakPolarHBondContact O-CD 3.03Å; W472-P474 VanDerWaalsContact O-N 3.16Å
473L35.7Very low41.5Very low106 Ų106117.5 Ų117.556%0.55561%0.607SS**SBendtrans-60.4119.8164.9-94.9140.6000106.9S475L473-S475 PolarHBondContact O-N 3.2Å
474P37.9Very low40.9Very low79 Ų79118.7 Ų118.751%0.51360%0.604SS.*  trans-48.9124.2166.1-20.731.2000105.9W472 K476 S478W472-P474 VanDerWaalsContact O-CD 3.26Å; W472-P474 WeakPolarHBondContact O-CD 3.03Å; W472-P474 VanDerWaalsContact O-N 3.16Å; P474-K476 PolarHBondContact O-N 2.97Å; P474-S478 VanDerWaalsContact CB-OG 3.23Å; P474-S478 WeakPolarHBondContact CB-OG 3.45Å
475S35.6Very low40.3Very low101 Ų101115.5 Ų115.571%0.70659%0.592SS**  trans-38.5134.1175.961.20000107.9L473 G477 S478L473-S475 PolarHBondContact O-N 3.2Å; S475-G477 PolarHBondContact O-N 3.2Å; S475-S478 PolarHBondContact O-N 3.48Å
476K36.6Very low39.8Very low210 Ų210117 Ų11791%0.91360%0.599SS**THydrogen-bonded Turntrans-45.72.7-168.6-77.1-177.8171.2-176.40117.8P474P474-K476 PolarHBondContact O-N 2.97Å
477G35.7Very low38.8Very low32 Ų32113.3 Ų113.333%0.3358%0.577SS.*THydrogen-bonded Turntrans-84.7-0.5170.300000117.3S475 I480S475-G477 PolarHBondContact O-N 3.2Å; G477-I480 WeakPolarHBondContact O-CD1 3.15Å
478S40.4Very low38.1Very low68 Ų68117 Ų11748%0.47659%0.592SS.*SBendtrans-84.5-6.3178-50.80000115.2P474 S475P474-S478 VanDerWaalsContact CB-OG 3.23Å; P474-S478 WeakPolarHBondContact CB-OG 3.45Å; S475-S478 PolarHBondContact O-N 3.48Å
479F35.4Very low37.6Very low148 Ų148119 Ų11965%0.64959%0.594SS**  trans-111.175.3174.6-73.4-83.2000110L450 I481L450-F479 HydrophobicContact CD1-CE1 4.48Å; L450-F479 HydrophobicContact CD2-CE1 3.71Å; L450-F479 HydrophobicContact CD2-CZ 3.75Å; F479-I481 PolarHBondContact O-N 2.9Å
480I34Very low37.2Very low31 Ų31120.6 Ų120.616%0.15960%0.6CS.*  trans-90.898.6171.7-67.5159000107.8Y415 V426 G477Y415-I480 HydrophobicContact CD1-CD1 4.11Å; Y415-I480 HydrophobicContact CE1-CD1 4.19Å; Y415-I480 HydrophobicContact CG-CD1 4.45Å; V426-I480 HydrophobicContact CB-CD1 4.34Å; V426-I480 HydrophobicContact CB-CG1 4.42Å; V426-I480 HydrophobicContact CG1-CB 4.4Å; V426-I480 HydrophobicContact CG1-CD1 4.36Å; V426-I480 HydrophobicContact CG1-CG1 3.97Å; V426-I480 HydrophobicContact CG1-CG2 3.62Å; V426-I480 HydrophobicContact CG2-CD1 3.44Å; V426-I480 VanDerWaalsContact CG2-CD1 3.44Å; V426-I480 HydrophobicContact CG2-CG1 3.71Å; G477-I480 WeakPolarHBondContact O-CD1 3.15Å
481I34.7Very low36.5Very low89 Ų89112.3 Ų112.346%0.45658%0.58SS.*  trans59.3100158.8-47.2168000115.6Q430 F479Q430-I481 HydrophobicContact CG-CD1 3.2Å; F479-I481 PolarHBondContact O-N 2.9Å
482Q32Very low36Very low216 Ų216111.8 Ų111.8100%1.00958%0.576SS**  trans-76.70150.9-85.9-176.7-30.300110.5

Retrieved 482 of 482 residues in 379.3 ms (Link to these results)

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